A0A3Q0KUE1_SCHMA Loading...

Family S33 non-peptidase homologue (S33 family)

AlphaFold DB , UniProt , Accession A0A3Q0KUE1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 363 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
1M49.4Very low88.2Confident173 Ų17373.4 Ų73.485%0.85242%0.415SS*.  0142.60-78.3-171.6-10700108.9A49M1-A49 HydrophobicContact CE-CB 3.4Å; M1-A49 HydrophobicContact SD-CB 3.57Å; M1-A49 VanDerWaalsContact SD-CB 3.57Å
2S62.6Low88.9Confident38 Ų3883 Ų8327%0.26645%0.454SS..  trans-57.4143.2164.544.10000109.2G23S2-G23 WeakPolarHBondContact OG-CA 3.43Å; S2-G23 PolarHBondContact OG-N 3.34Å
3G82.9Confident89.5Confident67 Ų6778.8 Ų78.869%0.69144%0.435SS*.  trans-60.4148.317600000111.1
4V93.6Very high90.1Very high60 Ų6073.4 Ų73.436%0.36441%0.405SS..  trans-94.6115.8171.8-1780000107.4F20 Q22 V45V4-F20 HydrophobicContact CG1-CB 3.6Å; V4-F20 HydrophobicContact CG1-CD1 4.05Å; V4-F20 HydrophobicContact CG1-CG 4.29Å; V4-Q22 HydrophobicContact CG2-CB 4.2Å; V4-Q22 HydrophobicContact CG2-CG 4.13Å; V4-V45 HydrophobicContact CG2-CG1 4.31Å; V4-V45 HydrophobicContact CG2-CG2 4.42Å
5E95.4Very high90.5Very high102 Ų10270.4 Ų70.448%0.47740%0.398SS..EExtended strand (participates in β ladder)trans-92.7122.4179.8-170.9-174.8146.300110.3F20 I21 R25E5-F20 CarbonylContact O-C 3.54Å; E5-F20 WeakPolarHBondContact O-CA 3.46Å; E5-I21 PolarHBondContact N-O 3.25Å; E5-I21 PolarHBondContact O-N 3.02Å; E5-R25 IonicContact OE1-NH2 3.46Å; E5-R25 PolarHBondContact OE1-NH2 3.4Å; E5-R25 IonicContact OE2-CZ 2.8Å; E5-R25 IonicContact OE2-NE 3.54Å; E5-R25 IonicContact OE2-NH2 3.91Å; E5-R25 PolarHBondContact OE2-NH2 3.28Å
6H97.1Very high90.8Very high98 Ų9875.3 Ų75.345%0.45441%0.413SS..EExtended strand (participates in β ladder)trans-90.3135.6176.7173-127.3000111.2N18 F20H6-N18 PolarHBondContact NE2-OD1 3.1Å; H6-F20 HydrophobicContact CB-CD1 3.88Å; H6-F20 HydrophobicContact CB-CE1 3.77Å; H6-F20 AromaticContact CD2-CD1 3.99Å; H6-F20 AromaticContact CD2-CE1 3.46Å; H6-F20 VanDerWaalsContact CD2-CE1 3.46Å; H6-F20 WeakPolarHBondContact CD2-CE1 3.39Å; H6-F20 AromaticContact CD2-CZ 3.5Å; H6-F20 AromaticContact CG-CE1 3.76Å
7Q97.1Very high91.3Very high55 Ų5570.8 Ų70.826%0.25739%0.389SS..EExtended strand (participates in β ladder)trans-144.9152168.252.9168.688.900110.7V19 I21Q7-V19 HydrophobicContact CG-CB 4.37Å; Q7-V19 PolarHBondContact N-O 3.22Å; Q7-V19 PolarHBondContact O-N 2.94Å; Q7-I21 HydrophobicContact CG-CD1 4.3Å
8V98.1Very high91.7Very high69 Ų6968.4 Ų68.442%0.41838%0.375SS..EExtended strand (participates in β ladder)trans-102.4125.3176.1-177.70000109.1K16 I17V8-K16 HydrophobicContact CG1-CB 3.82Å; V8-K16 HydrophobicContact CG1-CD 4.29Å; V8-K16 HydrophobicContact CG1-CG 4.05Å; V8-I17 WeakPolarHBondContact CA-O 3.45Å
9V98.2Very high92Very high8 Ų864.8 Ų64.85%0.04836%0.356CS..EExtended strand (participates in β ladder)trans-101.6127.7174.8179.50000108.8T11 I17 V19 V96 A99V9-T11 HydrophobicContact CG1-CG2 4.09Å; V9-I17 PolarHBondContact N-O 3.36Å; V9-I17 PolarHBondContact O-N 3.11Å; V9-V19 HydrophobicContact CB-CG2 4.31Å; V9-V19 HydrophobicContact CG2-CB 4.4Å; V9-V19 HydrophobicContact CG2-CG2 3.78Å; V9-V96 HydrophobicContact CB-CG2 4.25Å; V9-V96 HydrophobicContact CG1-CG2 4.13Å; V9-A99 HydrophobicContact CG1-CB 3.55Å
10N97.8Very high92.3Very high124 Ų12462.9 Ų62.966%0.66334%0.344SS*.EExtended strand (participates in β ladder)trans-83.7125.5171-60.5-64.3000108.7K16N10-K16 WeakPolarHBondContact OD1-CG 3.41Å
11T98Very high92.5Very high13 Ų1360.1 Ų60.18%0.0833%0.328CS..EExtended strand (participates in β ladder)trans-120.1144177.964.60000109.3V9 C14 G15 I17 E95 V96V9-T11 HydrophobicContact CG1-CG2 4.09Å; T11-C14 WeakPolarHBondContact OG1-CA 3.47Å; T11-C14 VanDerWaalsContact OG1-CB 3.32Å; T11-C14 WeakPolarHBondContact OG1-CB 3.27Å; T11-C14 PolarHBondContact OG1-N 3.12Å; T11-G15 WeakPolarHBondContact CA-O 3.35Å; T11-G15 WeakPolarHBondContact CB-O 3.32Å; T11-G15 PolarHBondContact N-O 3.39Å; T11-G15 WeakPolarHBondContact O-CA 3.31Å; T11-G15 PolarHBondContact O-N 3.03Å; T11-G15 PolarHBondContact OG1-N 2.94Å; T11-G15 PolarHBondContact OG1-O 3.12Å; T11-I17 HydrophobicContact CG2-CB 4.49Å; T11-I17 HydrophobicContact CG2-CD1 3.68Å; T11-I17 HydrophobicContact CG2-CG1 3.98Å; T11-E95 VanDerWaalsContact C-OE2 3.23Å; T11-E95 WeakPolarHBondContact CA-OE2 3.45Å; T11-E95 WeakPolarHBondContact CB-OE2 3.42Å; T11-E95 HydrophobicContact CG2-CB 3.95Å; T11-V96 HydrophobicContact CG2-CG2 4.17Å
12E97Very high94.7Very high189 Ų18952 Ų5288%0.88329%0.288SS*.THydrogen-bonded Turntrans-69.6-43.1173.4-63.5-177.6-176.700110.1E95E12-E95 PolarHBondContact N-OE2 3.08Å
13S96.4Very high96.1Very high29 Ų2950.9 Ų50.920%0.20328%0.283CS..THydrogen-bonded Turntrans-74.8-29.9-174.4-58.40000114.2Q88 E91 E95S13-Q88 WeakPolarHBondContact CB-O 3.34Å; S13-E91 WeakPolarHBondContact OG-CB 3.37Å; S13-E95 VanDerWaalsContact CB-OE1 3.26Å; S13-E95 WeakPolarHBondContact CB-OE1 3.4Å; S13-E95 PolarHBondContact N-OE1 3.04Å; S13-E95 PolarHBondContact OG-OE1 3.28Å
14C97.4Very high96.5Very high3 Ų350.4 Ų50.42%0.0227%0.268CS..THydrogen-bonded Turntrans-127.5-3.4-172.8-59.30000114.4T11 I17 P68 Y81 P84 Q88T11-C14 WeakPolarHBondContact OG1-CA 3.47Å; T11-C14 VanDerWaalsContact OG1-CB 3.32Å; T11-C14 WeakPolarHBondContact OG1-CB 3.27Å; T11-C14 PolarHBondContact OG1-N 3.12Å; C14-I17 HydrophobicContact CB-CD1 3.8Å; C14-I17 HydrophobicContact CB-CG1 4.01Å; C14-P68 HydrophobicContact CB-CG 4.2Å; C14-Y81 WeakPolarHBondContact O-CE2 3.47Å; C14-Y81 PolarHBondContact O-OH 2.66Å; C14-P84 HydrophobicContact CB-CG 4.12Å; C14-Q88 PolarHBondContact SG-O 2.81Å
15G96.2Very high96.2Very high28 Ų2853.8 Ų53.829%0.28927%0.274SS..EExtended strand (participates in β ladder)trans73.2-138.2-170.500000112T11T11-G15 WeakPolarHBondContact CA-O 3.35Å; T11-G15 WeakPolarHBondContact CB-O 3.32Å; T11-G15 PolarHBondContact N-O 3.39Å; T11-G15 WeakPolarHBondContact O-CA 3.31Å; T11-G15 PolarHBondContact O-N 3.03Å; T11-G15 PolarHBondContact OG1-N 2.94Å; T11-G15 PolarHBondContact OG1-O 3.12Å
16K96.5Very high95.6Very high148 Ų14852.4 Ų52.464%0.64327%0.27SS*.EExtended strand (participates in β ladder)trans-77.7126.1-179-69.7178-177.7178.80110.7V8 N10V8-K16 HydrophobicContact CG1-CB 3.82Å; V8-K16 HydrophobicContact CG1-CD 4.29Å; V8-K16 HydrophobicContact CG1-CG 4.05Å; N10-K16 WeakPolarHBondContact OD1-CG 3.41Å
17I98.1Very high94.9Very high0 Ų051.7 Ų51.70%027%0.272CS..EExtended strand (participates in β ladder)trans-114.4128.7174.2-63.2-169.5000109.1V8 V9 T11 C14 V19 V65 P68 M93 V96V8-I17 WeakPolarHBondContact CA-O 3.45Å; V9-I17 PolarHBondContact N-O 3.36Å; V9-I17 PolarHBondContact O-N 3.11Å; T11-I17 HydrophobicContact CG2-CB 4.49Å; T11-I17 HydrophobicContact CG2-CD1 3.68Å; T11-I17 HydrophobicContact CG2-CG1 3.98Å; C14-I17 HydrophobicContact CB-CD1 3.8Å; C14-I17 HydrophobicContact CB-CG1 4.01Å; I17-V19 HydrophobicContact CG2-CG2 3.97Å; I17-V65 HydrophobicContact CG2-CG1 3.3Å; I17-P68 HydrophobicContact CG1-CG 4.48Å; I17-M93 HydrophobicContact CD1-CE 3.74Å; I17-V96 HydrophobicContact CB-CG2 4.35Å; I17-V96 HydrophobicContact CD1-CG2 4.07Å; I17-V96 HydrophobicContact CG2-CG2 4.09Å
18N98.4Very high94.5Very high28 Ų2855.5 Ų55.515%0.1529%0.288CS..EExtended strand (participates in β ladder)trans-79.5126.8172.1-71.7-57.9000109.4H6 F20 D66 E74H6-N18 PolarHBondContact NE2-OD1 3.1Å; N18-F20 HydrophobicContact CB-CE2 3.86Å; N18-F20 HydrophobicContact CB-CZ 4.34Å; N18-D66 HydrophobicContact CB-CB 4.08Å; N18-D66 PolarHBondContact O-N 3.41Å; N18-E74 PolarHBondContact ND2-OE1 3.01Å; N18-E74 VanDerWaalsContact ND2-OE1 3.07Å
19V98.4Very high94.2Very high0 Ų053.8 Ų53.80%028%0.278CS..EExtended strand (participates in β ladder)trans-128134.7-179.7-175.30000109.9Q7 V9 I17 I21 V63 H64 V65 V96 L100Q7-V19 HydrophobicContact CG-CB 4.37Å; Q7-V19 PolarHBondContact N-O 3.22Å; Q7-V19 PolarHBondContact O-N 2.94Å; V9-V19 HydrophobicContact CB-CG2 4.31Å; V9-V19 HydrophobicContact CG2-CB 4.4Å; V9-V19 HydrophobicContact CG2-CG2 3.78Å; I17-V19 HydrophobicContact CG2-CG2 3.97Å; V19-I21 HydrophobicContact CG1-CG1 4.21Å; V19-V63 HydrophobicContact CG1-CG1 3.47Å; V19-V63 VanDerWaalsContact CG1-CG1 3.47Å; V19-H64 CarbonylContact C-O 3.59Å; V19-H64 WeakPolarHBondContact CA-O 3.2Å; V19-V65 HydrophobicContact CG1-CG2 4.48Å; V19-V65 HydrophobicContact CG2-CG2 4.32Å; V19-V96 HydrophobicContact CG2-CG1 3.93Å; V19-V96 HydrophobicContact CG2-CG2 4.2Å; V19-L100 HydrophobicContact CG1-CD1 4.13Å
20F98.1Very high94.1Very high26 Ų2653.4 Ų53.411%0.11428%0.276CS..EExtended strand (participates in β ladder)trans-122.8123.3-176-61-93.7000109.4V4 E5 H6 N18 H41 H64 D66V4-F20 HydrophobicContact CG1-CB 3.6Å; V4-F20 HydrophobicContact CG1-CD1 4.05Å; V4-F20 HydrophobicContact CG1-CG 4.29Å; E5-F20 CarbonylContact O-C 3.54Å; E5-F20 WeakPolarHBondContact O-CA 3.46Å; H6-F20 HydrophobicContact CB-CD1 3.88Å; H6-F20 HydrophobicContact CB-CE1 3.77Å; H6-F20 AromaticContact CD2-CD1 3.99Å; H6-F20 AromaticContact CD2-CE1 3.46Å; H6-F20 VanDerWaalsContact CD2-CE1 3.46Å; H6-F20 WeakPolarHBondContact CD2-CE1 3.39Å; H6-F20 AromaticContact CD2-CZ 3.5Å; H6-F20 AromaticContact CG-CE1 3.76Å; N18-F20 HydrophobicContact CB-CE2 3.86Å; N18-F20 HydrophobicContact CB-CZ 4.34Å; F20-H41 AromaticContact CD1-CD2 3.89Å; F20-H41 AromaticContact CD1-NE2 3.66Å; F20-H41 HydrophobicContact CD2-CB 3.91Å; F20-H41 AromaticContact CD2-CD2 3.86Å; F20-H41 AromaticContact CD2-CE1 3.85Å; F20-H41 AromaticContact CD2-CG 3.47Å; F20-H41 VanDerWaalsContact CD2-CG 3.47Å; F20-H41 AromaticContact CD2-ND1 3.47Å; F20-H41 WeakPolarHBondContact CD2-ND1 3.14Å; F20-H41 AromaticContact CE1-CE1 3.55Å; F20-H41 AromaticContact CE1-NE2 3.55Å; F20-H41 HydrophobicContact CE2-CB 4.48Å; F20-H41 AromaticContact CE2-CE1 3.4Å; F20-H41 WeakPolarHBondContact CE2-CE1 3.39Å; F20-H41 AromaticContact CE2-CG 3.74Å; F20-H41 AromaticContact CE2-ND1 3.2Å; F20-H41 WeakPolarHBondContact CE2-ND1 3.36Å; F20-H41 AromaticContact CE2-NE2 4Å; F20-H41 HydrophobicContact CG-CB 4.38Å; F20-H41 AromaticContact CG-CD2 3.7Å; F20-H41 AromaticContact CG-CG 3.8Å; F20-H41 AromaticContact CG-NE2 3.92Å; F20-H41 AromaticContact CZ-CE1 3.22Å; F20-H41 WeakPolarHBondContact CZ-CE1 3.28Å; F20-H41 AromaticContact CZ-ND1 3.58Å; F20-H41 AromaticContact CZ-NE2 3.73Å; F20-H64 HydrophobicContact CB-CB 4.19Å; F20-H64 PolarHBondContact N-O 3.48Å; F20-H64 PolarHBondContact O-CD2 3.4Å; F20-H64 PolarHBondContact O-N 3.13Å; F20-D66 HydrophobicContact CE2-CB 4.44Å; F20-D66 VanDerWaalsContact CE2-OD2 3.3Å; F20-D66 WeakPolarHBondContact CE2-OD2 3.29Å
21I97Very high94.1Very high5 Ų547.7 Ų47.73%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-112.6118.9-172.2-57.1177.7000109E5 Q7 V19 T61 W62 V63 L100E5-I21 PolarHBondContact N-O 3.25Å; E5-I21 PolarHBondContact O-N 3.02Å; Q7-I21 HydrophobicContact CG-CD1 4.3Å; V19-I21 HydrophobicContact CG1-CG1 4.21Å; I21-T61 HydrophobicContact CG2-CG2 4.17Å; I21-W62 CarbonylContact C-O 3.58Å; I21-W62 WeakPolarHBondContact CA-O 3.41Å; I21-V63 HydrophobicContact CG1-CG2 4.45Å; I21-L100 HydrophobicContact CD1-CD1 4.18Å; I21-L100 HydrophobicContact CD1-CD2 3.84Å
22Q95.2Very high94.1Very high1 Ų147.1 Ų47.11%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-119.3143.9-177.4-175.3-176.819.100110.2V4 L48 W62 H64V4-Q22 HydrophobicContact CG2-CB 4.2Å; V4-Q22 HydrophobicContact CG2-CG 4.13Å; Q22-L48 VanDerWaalsContact OE1-CD1 3.29Å; Q22-W62 HydrophobicContact CB-CB 4.2Å; Q22-W62 PolarHBondContact N-O 3.09Å; Q22-W62 PolarHBondContact O-N 3.16Å; Q22-H64 PolarHBondContact OE1-NE2 2.96Å
23G92.1Very high94.2Very high15 Ų1538.1 Ų38.116%0.15520%0.199CC..SBendtrans89.5-173.7178.700000114.2S2S2-G23 WeakPolarHBondContact OG-CA 3.43Å; S2-G23 PolarHBondContact OG-N 3.34Å
24P90.1Very high94.3Very high57 Ų5736.8 Ų36.837%0.3719%0.19SC..SBendtrans-61.1141.9178.626.4-35.3000110.7N26 N58 C60 T61P24-N26 PolarHBondContact O-N 3.32Å; P24-N58 WeakPolarHBondContact CD-O 3.49Å; P24-C60 WeakPolarHBondContact CD-O 3.33Å; P24-T61 WeakPolarHBondContact O-CB 3.45Å; P24-T61 PolarHBondContact O-OG1 3.18Å
25R87.9Confident94.3Very high132 Ų13236.7 Ų36.750%0.49819%0.189SC..  trans-75.7108.3174.9-71.1-68-165.8150.4-3110.2E5E5-R25 IonicContact OE1-NH2 3.46Å; E5-R25 PolarHBondContact OE1-NH2 3.4Å; E5-R25 IonicContact OE2-CZ 2.8Å; E5-R25 IonicContact OE2-NE 3.54Å; E5-R25 IonicContact OE2-NH2 3.91Å; E5-R25 PolarHBondContact OE2-NH2 3.28Å
26N83.4Confident94.4Very high72 Ų7235.5 Ų35.539%0.38518%0.176SC..  trans-136.4115.1172.9-174.4-6.5000109.4P24 K28 T61P24-N26 PolarHBondContact O-N 3.32Å; N26-K28 VanDerWaalsContact C-N 3.32Å; N26-K28 VanDerWaalsContact OD1-CB 3.24Å; N26-K28 WeakPolarHBondContact OD1-CB 3.35Å; N26-K28 PolarHBondContact OD1-N 3.24Å; N26-T61 WeakPolarHBondContact CB-OG1 3.47Å; N26-T61 PolarHBondContact N-OG1 3.36Å; N26-T61 PolarHBondContact O-OG1 3.45Å
27T81Confident94.3Very high84 Ų8428.5 Ų28.552%0.51515%0.146SC..SBendtrans-83.1-9.2178.353.80000113Q103T27-Q103 PolarHBondContact O-N 2.98Å
28K88.8Confident94.1Very high134 Ų13428.5 Ų28.558%0.58315%0.146SC*.SBendtrans-70.8-48179.4-64.2-174.9177.1-1780112N26 Y104N26-K28 VanDerWaalsContact C-N 3.32Å; N26-K28 VanDerWaalsContact OD1-CB 3.24Å; N26-K28 WeakPolarHBondContact OD1-CB 3.35Å; N26-K28 PolarHBondContact OD1-N 3.24Å; K28-Y104 WeakPolarHBondContact O-CB 3.41Å; K28-Y104 WeakPolarHBondContact O-CD2 3.36Å; K28-Y104 PolarHBondContact O-N 2.99Å
29V92.3Very high94Very high34 Ų3427.7 Ų27.721%0.20614%0.142CC..EExtended strand (participates in β ladder)trans-141.8123179.4-174.90000109Y104 L129 L297V29-Y104 WeakPolarHBondContact CA-O 3.3Å; V29-L129 HydrophobicContact CG1-CD1 4.1Å; V29-L129 HydrophobicContact CG2-CD1 4.18Å; V29-L297 HydrophobicContact CB-CD2 4.47Å; V29-L297 HydrophobicContact CG1-CD1 3.84Å; V29-L297 HydrophobicContact CG1-CD2 4Å; V29-L297 HydrophobicContact CG2-CD2 3.96Å
30A95.9Very high93.9Very high0 Ų027.9 Ų27.90%014%0.143CC..EExtended strand (participates in β ladder)trans-130.7156.2176.300000111.7T61 V63 L102 Y104 V105 V106A30-T61 CarbonylContact C-O 3.59Å; A30-T61 WeakPolarHBondContact CA-O 3.46Å; A30-T61 HydrophobicContact CB-CG2 4.19Å; A30-V63 HydrophobicContact CB-CG2 4.13Å; A30-L102 HydrophobicContact CB-CD1 4.23Å; A30-L102 HydrophobicContact CB-CD2 3.93Å; A30-Y104 PolarHBondContact N-O 3.04Å; A30-Y104 VanDerWaalsContact N-O 3.12Å; A30-V105 CarbonylContact O-C 3.52Å; A30-V105 WeakPolarHBondContact O-CA 3.38Å; A30-V106 PolarHBondContact O-N 2.84Å
31F97.8Very high93.9Very high4 Ų427.6 Ų27.62%0.01814%0.142CC..EExtended strand (participates in β ladder)trans-94.2111.8171.1-73.6-101.3000108.5C60 T61 W62 V63 V106 L288 I292F31-C60 HydrophobicContact CD2-CB 3.73Å; F31-C60 HydrophobicContact CE2-CB 3.74Å; F31-C60 VanDerWaalsContact CE2-SG 3.58Å; F31-T61 PolarHBondContact N-O 3.4Å; F31-W62 HydrophobicContact CB-CD2 3.84Å; F31-W62 HydrophobicContact CB-CE3 3.37Å; F31-W62 HydrophobicContact CB-CH2 4.24Å; F31-W62 HydrophobicContact CB-CZ3 3.61Å; F31-W62 AromaticContact CD1-CH2 3.88Å; F31-W62 HydrophobicContact CD1-CH2 3.88Å; F31-W62 HydrophobicContact CD1-CZ2 4.5Å; F31-W62 AromaticContact CD1-CZ3 3.9Å; F31-W62 HydrophobicContact CD1-CZ3 3.9Å; F31-W62 HydrophobicContact CE1-CH2 4.48Å; F31-W62 HydrophobicContact CG-CD2 4.32Å; F31-W62 HydrophobicContact CG-CE3 4.02Å; F31-W62 AromaticContact CG-CH2 4Å; F31-W62 HydrophobicContact CG-CH2 4Å; F31-W62 HydrophobicContact CG-CZ2 4.3Å; F31-W62 AromaticContact CG-CZ3 3.86Å; F31-W62 HydrophobicContact CG-CZ3 3.86Å; F31-V63 PolarHBondContact O-N 3.39Å; F31-V106 CarbonylContact C-O 3.53Å; F31-V106 VanDerWaalsContact CA-O 3.23Å; F31-V106 WeakPolarHBondContact CA-O 3.47Å; F31-V106 HydrophobicContact CD1-CB 3.81Å; F31-V106 HydrophobicContact CD1-CG1 3.89Å; F31-V106 HydrophobicContact CE1-CB 3.67Å; F31-V106 HydrophobicContact CE1-CG1 3.57Å; F31-V106 HydrophobicContact CE1-CG2 4.25Å; F31-V106 HydrophobicContact CG-CB 4.4Å; F31-V106 HydrophobicContact CZ-CB 4.13Å; F31-V106 HydrophobicContact CZ-CG1 4.36Å; F31-V106 HydrophobicContact CZ-CG2 4.26Å; F31-L288 HydrophobicContact CE1-CD1 4.34Å; F31-I292 HydrophobicContact CE1-CD1 3.65Å; F31-I292 HydrophobicContact CE1-CG1 3.9Å; F31-I292 HydrophobicContact CE2-CD1 4.36Å; F31-I292 HydrophobicContact CZ-CD1 3.35Å; F31-I292 HydrophobicContact CZ-CG1 3.64Å; F31-I292 HydrophobicContact CZ-CG2 4.39Å
32L98.6Very high93.9Very high0 Ų029.6 Ų29.60%015%0.153CC..EExtended strand (participates in β ladder)trans-90.3124.3175.7-177.371.8000108.9V63 V65 M93 V105 V106 V107 F108 L117 L120L32-V63 HydrophobicContact CD1-CB 4.17Å; L32-V63 HydrophobicContact CD1-CG1 3.84Å; L32-V65 HydrophobicContact CD1-CG2 3.65Å; L32-M93 HydrophobicContact CD2-CB 4.21Å; L32-V105 HydrophobicContact CB-CB 4.41Å; L32-V106 PolarHBondContact N-O 2.79Å; L32-V107 CarbonylContact O-C 3.17Å; L32-V107 WeakPolarHBondContact O-CA 3.5Å; L32-F108 PolarHBondContact O-N 3.19Å; L32-L117 HydrophobicContact CD2-CD2 3.77Å; L32-L117 HydrophobicContact CG-CD2 4.16Å; L32-L120 HydrophobicContact CD2-CD2 3.39Å
33T98.7Very high93.9Very high1 Ų130.6 Ų30.61%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-125.2141.6-173.480.90000113I44 W62 V63 H64 V65 F108T33-I44 HydrophobicContact CG2-CG2 4.24Å; T33-W62 HydrophobicContact CG2-CE3 3.71Å; T33-W62 HydrophobicContact CG2-CZ3 4.05Å; T33-V63 PolarHBondContact N-O 2.86Å; T33-H64 VanDerWaalsContact OG1-CA 3.27Å; T33-H64 WeakPolarHBondContact OG1-CA 3.18Å; T33-H64 PolarHBondContact OG1-ND1 3.4Å; T33-V65 PolarHBondContact O-N 3.05Å; T33-F108 WeakPolarHBondContact CA-O 3.21Å; T33-F108 WeakPolarHBondContact CB-O 3.27Å; T33-F108 HydrophobicContact CG2-CB 4.01Å; T33-F108 HydrophobicContact CG2-CD1 4.37Å
34V98.8Very high94.1Very high0 Ų030 Ų300%015%0.15CC..EExtended strand (participates in β ladder)trans-139.4130.3178.7-172.50000108.4V65 V67 M93 F108 G109 E110 G113 I116 L117V34-V65 HydrophobicContact CG2-CB 4.37Å; V34-V67 HydrophobicContact CG1-CG2 3.93Å; V34-M93 HydrophobicContact CG2-CG 4.34Å; V34-M93 HydrophobicContact CG2-SD 3.68Å; V34-F108 PolarHBondContact N-O 3.13Å; V34-G109 WeakPolarHBondContact O-CA 3.3Å; V34-E110 PolarHBondContact O-N 3.01Å; V34-G113 VanDerWaalsContact CG1-CA 3.48Å; V34-I116 HydrophobicContact CG1-CD1 4.13Å; V34-L117 HydrophobicContact CB-CD1 3.9Å; V34-L117 HydrophobicContact CB-CG 4.05Å; V34-L117 HydrophobicContact CG2-CD1 3.82Å; V34-L117 HydrophobicContact CG2-CD2 3.71Å; V34-L117 HydrophobicContact CG2-CG 3.68Å
35H98.2Very high94.4Very high1 Ų128.1 Ų28.11%0.00514%0.138CC..  trans-80.5169.6-174.262.883.7000113.3C39 N40 E43 V65 D66 V67 G113H35-C39 HydrophobicContact CB-CB 4.09Å; H35-C39 PolarHBondContact CE1-O 2.96Å; H35-C39 VanDerWaalsContact ND1-C 3.32Å; H35-C39 PolarHBondContact ND1-O 3.13Å; H35-N40 VanDerWaalsContact CD2-CA 3.46Å; H35-N40 WeakPolarHBondContact CD2-CA 3.36Å; H35-N40 VanDerWaalsContact CG-CA 3.42Å; H35-E43 WeakPolarHBondContact CB-OE2 3.27Å; H35-V65 PolarHBondContact CD2-O 2.94Å; H35-D66 IonicContact CD2-OD1 2.97Å; H35-V67 PolarHBondContact NE2-N 3.34Å; H35-G113 WeakPolarHBondContact O-CA 3.4Å; H35-G113 PolarHBondContact O-N 3.49Å; H35-G113 VanDerWaalsContact O-N 3.14Å
36D96.7Very high94.7Very high4 Ų427.1 Ų27.12%0.02114%0.143CC..  trans-86.3178.7174.3-159.59.9000113.1C39 E43 E110 A112 H172D36-C39 WeakPolarHBondContact O-CB 3.32Å; D36-C39 PolarHBondContact O-N 2.81Å; D36-E43 PolarHBondContact N-OE2 3.2Å; D36-E110 HydrophobicContact CB-CB 4.29Å; D36-E110 HydrophobicContact CB-CG 4.15Å; D36-A112 WeakPolarHBondContact OD1-CB 3.39Å; D36-A112 PolarHBondContact OD1-N 3.39Å; D36-H172 IonicContact OD1-NE2 3.84Å; D36-H172 PolarHBondContact OD1-NE2 2.65Å; D36-H172 IonicContact OD2-CD2 3.96Å; D36-H172 IonicContact OD2-CE1 2.93Å; D36-H172 IonicContact OD2-NE2 3.84Å; D36-H172 PolarHBondContact OD2-NE2 2.97Å
37L94.3Very high95.3Very high1 Ų124.1 Ų24.11%0.00513%0.126CC..THydrogen-bonded Turntrans-58.5132.8174.3-60175000111.6C39 A112 L169 F209 I210 F213L37-C39 PolarHBondContact O-N 3.16Å; L37-A112 HydrophobicContact CD2-CB 3.99Å; L37-A112 HydrophobicContact CG-CB 3.9Å; L37-L169 HydrophobicContact CB-CD2 3.92Å; L37-F209 HydrophobicContact CD2-CD1 3.62Å; L37-F209 HydrophobicContact CD2-CD2 4.27Å; L37-F209 HydrophobicContact CD2-CE1 3.63Å; L37-F209 HydrophobicContact CD2-CE2 4.25Å; L37-F209 HydrophobicContact CD2-CG 3.95Å; L37-F209 HydrophobicContact CD2-CZ 3.95Å; L37-I210 HydrophobicContact CD1-CG1 4.37Å; L37-I210 HydrophobicContact CD2-CG1 4.08Å; L37-F213 HydrophobicContact CD1-CD1 3.87Å; L37-F213 HydrophobicContact CD1-CE1 4.32Å; L37-F213 HydrophobicContact CD2-CB 4.28Å
38G93.8Very high96Very high0 Ų020.2 Ų20.20%010%0.102CC..THydrogen-bonded Turntrans78.57.718000000114F193G38-F193 WeakPolarHBondContact O-CE2 3.33Å
39C96.4Very high96.3Very high10 Ų1015.9 Ų15.97%0.0689%0.091CC..  trans-121.1179.8177.8-65.90000111.2H35 D36 L37 E43 R173H35-C39 HydrophobicContact CB-CB 4.09Å; H35-C39 PolarHBondContact CE1-O 2.96Å; H35-C39 VanDerWaalsContact ND1-C 3.32Å; H35-C39 PolarHBondContact ND1-O 3.13Å; D36-C39 WeakPolarHBondContact O-CB 3.32Å; D36-C39 PolarHBondContact O-N 2.81Å; L37-C39 PolarHBondContact O-N 3.16Å; C39-E43 HydrophobicContact CB-CB 4.25Å; C39-E43 PolarHBondContact SG-OE1 3.45Å; C39-E43 VanDerWaalsContact SG-OE1 3.41Å; C39-R173 PolarHBondContact SG-NH1 3.24Å
40N97.5Very high96.4Very high5 Ų517.1 Ų17.13%0.02710%0.095CC..  trans-151.7-170.9169.256.640.9000109.1H35 N42 E43 D66 Q70 D72H35-N40 VanDerWaalsContact CD2-CA 3.46Å; H35-N40 WeakPolarHBondContact CD2-CA 3.36Å; H35-N40 VanDerWaalsContact CG-CA 3.42Å; N40-N42 PolarHBondContact O-N 3.08Å; N40-N42 VanDerWaalsContact OD1-CB 3.23Å; N40-N42 WeakPolarHBondContact OD1-CB 3.42Å; N40-N42 PolarHBondContact OD1-N 3.41Å; N40-N42 VanDerWaalsContact OD1-N 3.09Å; N40-N42 PolarHBondContact OD1-ND2 3.47Å; N40-E43 WeakPolarHBondContact O-CB 3.46Å; N40-E43 PolarHBondContact O-N 3.35Å; N40-E43 VanDerWaalsContact O-N 3.08Å; N40-D66 WeakPolarHBondContact CB-OD1 3.37Å; N40-Q70 WeakPolarHBondContact CB-O 3.42Å; N40-Q70 PolarHBondContact ND2-O 2.86Å; N40-D72 PolarHBondContact ND2-N 3.43Å; N40-D72 PolarHBondContact ND2-OD1 2.85Å
41H97.5Very high96.3Very high19 Ų1923.8 Ų23.89%0.08813%0.126CC..Hα-helixtrans-49.1-29.7-179.865.9-80000114.1F20 E43 I44 V45 H64 D66F20-H41 AromaticContact CD1-CD2 3.89Å; F20-H41 AromaticContact CD1-NE2 3.66Å; F20-H41 HydrophobicContact CD2-CB 3.91Å; F20-H41 AromaticContact CD2-CD2 3.86Å; F20-H41 AromaticContact CD2-CE1 3.85Å; F20-H41 AromaticContact CD2-CG 3.47Å; F20-H41 VanDerWaalsContact CD2-CG 3.47Å; F20-H41 AromaticContact CD2-ND1 3.47Å; F20-H41 WeakPolarHBondContact CD2-ND1 3.14Å; F20-H41 AromaticContact CE1-CE1 3.55Å; F20-H41 AromaticContact CE1-NE2 3.55Å; F20-H41 HydrophobicContact CE2-CB 4.48Å; F20-H41 AromaticContact CE2-CE1 3.4Å; F20-H41 WeakPolarHBondContact CE2-CE1 3.39Å; F20-H41 AromaticContact CE2-CG 3.74Å; F20-H41 AromaticContact CE2-ND1 3.2Å; F20-H41 WeakPolarHBondContact CE2-ND1 3.36Å; F20-H41 AromaticContact CE2-NE2 4Å; F20-H41 HydrophobicContact CG-CB 4.38Å; F20-H41 AromaticContact CG-CD2 3.7Å; F20-H41 AromaticContact CG-CG 3.8Å; F20-H41 AromaticContact CG-NE2 3.92Å; F20-H41 AromaticContact CZ-CE1 3.22Å; F20-H41 WeakPolarHBondContact CZ-CE1 3.28Å; F20-H41 AromaticContact CZ-ND1 3.58Å; F20-H41 AromaticContact CZ-NE2 3.73Å; H41-E43 PolarHBondContact O-N 3.27Å; H41-I44 PolarHBondContact O-N 2.88Å; H41-I44 VanDerWaalsContact O-N 3.1Å; H41-V45 WeakPolarHBondContact O-CG2 3.48Å; H41-V45 PolarHBondContact O-N 3.01Å; H41-H64 HydrophobicContact CB-CB 3.55Å; H41-D66 VanDerWaalsContact CB-OD1 3.26Å; H41-D66 WeakPolarHBondContact CB-OD1 3.46Å; H41-D66 IonicContact CE1-OD2 3.06Å; H41-D66 IonicContact CG-OD1 2.85Å; H41-D66 IonicContact CG-OD2 3.27Å; H41-D66 PolarHBondContact N-OD1 2.95Å; H41-D66 VanDerWaalsContact ND1-CG 3.31Å; H41-D66 IonicContact ND1-OD1 2.85Å; H41-D66 PolarHBondContact ND1-OD1 3.38Å; H41-D66 IonicContact ND1-OD2 3.53Å; H41-D66 PolarHBondContact ND1-OD2 3.13Å
42N96.5Very high96.1Very high47 Ų4724.7 Ų24.725%0.25113%0.133SC..Hα-helixtrans-58.4-32.5-179.7-73.7-42000112.8N40 I44 V45 N46 D72N40-N42 PolarHBondContact O-N 3.08Å; N40-N42 VanDerWaalsContact OD1-CB 3.23Å; N40-N42 WeakPolarHBondContact OD1-CB 3.42Å; N40-N42 PolarHBondContact OD1-N 3.41Å; N40-N42 VanDerWaalsContact OD1-N 3.09Å; N40-N42 PolarHBondContact OD1-ND2 3.47Å; N42-I44 VanDerWaalsContact C-N 3.33Å; N42-I44 PolarHBondContact O-N 2.71Å; N42-V45 PolarHBondContact O-N 3.07Å; N42-N46 WeakPolarHBondContact O-CB 3.4Å; N42-N46 PolarHBondContact O-N 3.3Å; N42-N46 PolarHBondContact O-ND2 3.17Å; N42-D72 PolarHBondContact ND2-OD2 3.18Å
43E95.1Very high95.9Very high23 Ų2324.7 Ų24.711%0.10713%0.133CC..Hα-helixtrans-54.4-51.2174.4165.7177.3-113.700111.6H35 D36 C39 N40 H41 N46 F47 E110 R173H35-E43 WeakPolarHBondContact CB-OE2 3.27Å; D36-E43 PolarHBondContact N-OE2 3.2Å; C39-E43 HydrophobicContact CB-CB 4.25Å; C39-E43 PolarHBondContact SG-OE1 3.45Å; C39-E43 VanDerWaalsContact SG-OE1 3.41Å; N40-E43 WeakPolarHBondContact O-CB 3.46Å; N40-E43 PolarHBondContact O-N 3.35Å; N40-E43 VanDerWaalsContact O-N 3.08Å; H41-E43 PolarHBondContact O-N 3.27Å; E43-N46 PolarHBondContact O-N 3.23Å; E43-F47 PolarHBondContact O-N 3.36Å; E43-E110 VanDerWaalsContact CD-OE2 3.29Å; E43-R173 IonicContact OE1-CZ 2.83Å; E43-R173 IonicContact OE1-NH1 3.57Å; E43-R173 PolarHBondContact OE1-NH1 3.03Å; E43-R173 IonicContact OE1-NH2 3.97Å; E43-R173 PolarHBondContact OE1-NH2 3.08Å
44I96.5Very high95.5Very high1 Ų130.4 Ų30.41%0.00516%0.159CC..Hα-helixtrans-77-37.7-175.1-54.8-178.6000109.5T33 H41 N42 N46 F47 L48 F108T33-I44 HydrophobicContact CG2-CG2 4.24Å; H41-I44 PolarHBondContact O-N 2.88Å; H41-I44 VanDerWaalsContact O-N 3.1Å; N42-I44 VanDerWaalsContact C-N 3.33Å; N42-I44 PolarHBondContact O-N 2.71Å; I44-N46 VanDerWaalsContact C-N 3.3Å; I44-N46 PolarHBondContact O-N 3.35Å; I44-F47 WeakPolarHBondContact O-CB 3.4Å; I44-F47 PolarHBondContact O-N 3.3Å; I44-L48 HydrophobicContact CG2-CD1 4.37Å; I44-L48 HydrophobicContact CG2-CG 4.42Å; I44-L48 WeakPolarHBondContact O-CB 3.49Å; I44-L48 VanDerWaalsContact O-CG 3.25Å; I44-L48 WeakPolarHBondContact O-CG 3.29Å; I44-L48 PolarHBondContact O-N 3.04Å; I44-F108 HydrophobicContact CD1-CD1 4.45Å; I44-F108 HydrophobicContact CG2-CD1 4.35Å; I44-F108 HydrophobicContact CG2-CE1 4.25Å
45V96.3Very high94.9Very high18 Ų1831.7 Ų31.711%0.10917%0.168CC..Hα-helixtrans-58.9-41.9172.5171.80000111.1V4 H41 N42 L48 A49V4-V45 HydrophobicContact CG2-CG1 4.31Å; V4-V45 HydrophobicContact CG2-CG2 4.42Å; H41-V45 WeakPolarHBondContact O-CG2 3.48Å; H41-V45 PolarHBondContact O-N 3.01Å; N42-V45 PolarHBondContact O-N 3.07Å; V45-L48 PolarHBondContact O-N 2.84Å; V45-A49 PolarHBondContact O-N 2.89Å
46N94.6Very high94.4Very high111 Ų11131.7 Ų31.759%0.59417%0.168SC*.Hα-helixtrans-66.2-40.9176.6-72.6-29.2000111.9N42 E43 I44 A49N42-N46 WeakPolarHBondContact O-CB 3.4Å; N42-N46 PolarHBondContact O-N 3.3Å; N42-N46 PolarHBondContact O-ND2 3.17Å; E43-N46 PolarHBondContact O-N 3.23Å; I44-N46 VanDerWaalsContact C-N 3.3Å; I44-N46 PolarHBondContact O-N 3.35Å; N46-A49 WeakPolarHBondContact O-CB 3.43Å; N46-A49 PolarHBondContact O-N 2.96Å
47F95.9Very high94Very high9 Ų932 Ų324%0.03917%0.17CC..Hα-helixtrans-60.1-44.3171.8165.3-106.4000111.9E43 I44 A49 H50 M53 F108 L277 P281 V284E43-F47 PolarHBondContact O-N 3.36Å; I44-F47 WeakPolarHBondContact O-CB 3.4Å; I44-F47 PolarHBondContact O-N 3.3Å; F47-A49 PolarHBondContact O-N 3.12Å; F47-H50 WeakPolarHBondContact O-CB 3.44Å; F47-H50 PolarHBondContact O-N 3.13Å; F47-M53 HydrophobicContact CE1-CE 4Å; F47-M53 HydrophobicContact CE1-CG 4.01Å; F47-M53 HydrophobicContact CE1-SD 3.87Å; F47-M53 HydrophobicContact CE2-CG 4.27Å; F47-M53 HydrophobicContact CZ-CE 4.38Å; F47-M53 HydrophobicContact CZ-CG 3.85Å; F47-M53 HydrophobicContact CZ-SD 3.65Å; F47-F108 HydrophobicContact CD1-CE1 4.5Å; F47-F108 HydrophobicContact CD1-CZ 4.12Å; F47-F108 HydrophobicContact CE1-CE2 4.32Å; F47-F108 AromaticContact CE1-CZ 3.74Å; F47-F108 HydrophobicContact CE1-CZ 3.74Å; F47-F108 HydrophobicContact CZ-CZ 4.44Å; F47-L277 HydrophobicContact CD1-CD2 4.22Å; F47-L277 HydrophobicContact CD2-CD2 3.74Å; F47-L277 HydrophobicContact CE1-CD2 4.39Å; F47-L277 HydrophobicContact CE2-CD2 3.94Å; F47-L277 HydrophobicContact CG-CD2 3.9Å; F47-L277 HydrophobicContact CZ-CD2 4.26Å; F47-P281 HydrophobicContact CD2-CB 3.9Å; F47-P281 HydrophobicContact CE2-CB 4.03Å; F47-V284 HydrophobicContact CE2-CB 3.95Å; F47-V284 HydrophobicContact CE2-CG1 3.96Å; F47-V284 HydrophobicContact CZ-CB 4.13Å; F47-V284 HydrophobicContact CZ-CG1 3.7Å
48L96Very high93.6Very high3 Ų336.1 Ų36.12%0.01619%0.192CC..Hα-helixtrans-68.2-19.7178.1-67.1-179.2000113.7Q22 I44 V45 H50 M53 V57 W62Q22-L48 VanDerWaalsContact OE1-CD1 3.29Å; I44-L48 HydrophobicContact CG2-CD1 4.37Å; I44-L48 HydrophobicContact CG2-CG 4.42Å; I44-L48 WeakPolarHBondContact O-CB 3.49Å; I44-L48 VanDerWaalsContact O-CG 3.25Å; I44-L48 WeakPolarHBondContact O-CG 3.29Å; I44-L48 PolarHBondContact O-N 3.04Å; V45-L48 PolarHBondContact O-N 2.84Å; L48-H50 VanDerWaalsContact C-N 3.28Å; L48-M53 HydrophobicContact CD2-CE 3.32Å; L48-M53 HydrophobicContact CD2-CG 4.36Å; L48-V57 HydrophobicContact CB-CG2 4.04Å; L48-W62 HydrophobicContact CD1-CB 4.19Å; L48-W62 HydrophobicContact CD1-CD2 3.45Å; L48-W62 VanDerWaalsContact CD1-CD2 3.45Å; L48-W62 HydrophobicContact CD1-CE3 3.74Å; L48-W62 HydrophobicContact CD1-CG 3.65Å; L48-W62 HydrophobicContact CD1-CZ2 4.41Å; L48-W62 HydrophobicContact CD1-CZ3 4.32Å; L48-W62 HydrophobicContact CD2-CD2 4.13Å; L48-W62 HydrophobicContact CD2-CE3 4.25Å; L48-W62 HydrophobicContact CD2-CH2 3.7Å; L48-W62 HydrophobicContact CD2-CZ2 3.53Å; L48-W62 HydrophobicContact CD2-CZ3 4.05Å; L48-W62 HydrophobicContact CG-CD2 4.44Å
49A94.5Very high93.3Very high43 Ų4343.3 Ų43.336%0.35522%0.219SC..THydrogen-bonded Turntrans-75.9-15.4172.300000113.2M1 V45 N46 F47M1-A49 HydrophobicContact CE-CB 3.4Å; M1-A49 HydrophobicContact SD-CB 3.57Å; M1-A49 VanDerWaalsContact SD-CB 3.57Å; V45-A49 PolarHBondContact O-N 2.89Å; N46-A49 WeakPolarHBondContact O-CB 3.43Å; N46-A49 PolarHBondContact O-N 2.96Å; F47-A49 PolarHBondContact O-N 3.12Å
50H94.7Very high93Very high59 Ų5943.7 Ų43.727%0.27322%0.222SC..SBendtrans-61.5140.9177.9-168.6-92000110.7F47 L48 S52 M53 P281F47-H50 WeakPolarHBondContact O-CB 3.44Å; F47-H50 PolarHBondContact O-N 3.13Å; L48-H50 VanDerWaalsContact C-N 3.28Å; H50-S52 PolarHBondContact CE1-OG 3.41Å; H50-S52 VanDerWaalsContact CE1-OG 3.29Å; H50-S52 WeakPolarHBondContact ND1-CB 3.37Å; H50-S52 PolarHBondContact ND1-N 3.11Å; H50-S52 PolarHBondContact ND1-OG 2.9Å; H50-S52 PolarHBondContact O-N 2.83Å; H50-S52 VanDerWaalsContact O-N 3.12Å; H50-M53 WeakPolarHBondContact O-CB 3.4Å; H50-M53 PolarHBondContact O-N 2.9Å; H50-P281 HydrophobicContact CB-CB 4.38Å
51E94.5Very high92.9Very high140 Ų14043.7 Ų43.765%0.65422%0.222SC*.G310 helixtrans-56.6-36.6-174.759.1172.2-170.600112.5M53 E54 R304E51-M53 PolarHBondContact O-N 2.74Å; E51-M53 VanDerWaalsContact O-N 3.13Å; E51-E54 VanDerWaalsContact O-CB 3.24Å; E51-E54 WeakPolarHBondContact O-CB 3.29Å; E51-E54 PolarHBondContact O-N 3.49Å; E51-E54 VanDerWaalsContact O-N 3.09Å; E51-R304 PolarHBondContact O-NH1 2.85Å; E51-R304 PolarHBondContact O-NH2 2.85Å
52S94.1Very high92.9Very high24 Ų2442.8 Ų42.817%0.16822%0.218CC..G310 helixtrans-60.5-21.7178-54.80000114H50 P55 E282H50-S52 PolarHBondContact CE1-OG 3.41Å; H50-S52 VanDerWaalsContact CE1-OG 3.29Å; H50-S52 WeakPolarHBondContact ND1-CB 3.37Å; H50-S52 PolarHBondContact ND1-N 3.11Å; H50-S52 PolarHBondContact ND1-OG 2.9Å; H50-S52 PolarHBondContact O-N 2.83Å; H50-S52 VanDerWaalsContact O-N 3.12Å; S52-P55 WeakPolarHBondContact O-CD 3.5Å; S52-E282 WeakPolarHBondContact OG-CB 2.98Å
53M94.2Very high92.9Very high0 Ų040.6 Ų40.60%021%0.206CC..G310 helixtrans-87.8-10.7178.6-74.4-56.2-67.700113.9F47 L48 H50 E51 P55 L56 V57 W62 A285 L288F47-M53 HydrophobicContact CE1-CE 4Å; F47-M53 HydrophobicContact CE1-CG 4.01Å; F47-M53 HydrophobicContact CE1-SD 3.87Å; F47-M53 HydrophobicContact CE2-CG 4.27Å; F47-M53 HydrophobicContact CZ-CE 4.38Å; F47-M53 HydrophobicContact CZ-CG 3.85Å; F47-M53 HydrophobicContact CZ-SD 3.65Å; L48-M53 HydrophobicContact CD2-CE 3.32Å; L48-M53 HydrophobicContact CD2-CG 4.36Å; H50-M53 WeakPolarHBondContact O-CB 3.4Å; H50-M53 PolarHBondContact O-N 2.9Å; E51-M53 PolarHBondContact O-N 2.74Å; E51-M53 VanDerWaalsContact O-N 3.13Å; M53-P55 VanDerWaalsContact C-N 3.31Å; M53-P55 VanDerWaalsContact O-N 3.15Å; M53-L56 HydrophobicContact CE-CB 3.93Å; M53-L56 HydrophobicContact CE-CD1 3.81Å; M53-L56 PolarHBondContact O-N 3.26Å; M53-L56 HydrophobicContact SD-CD1 4.05Å; M53-V57 PolarHBondContact O-N 3.15Å; M53-W62 HydrophobicContact CE-CH2 4.17Å; M53-W62 HydrophobicContact CE-CZ2 3.92Å; M53-A285 HydrophobicContact CG-CB 3.99Å; M53-A285 HydrophobicContact SD-CB 3.42Å; M53-A285 WeakPolarHBondContact SD-CB 3.43Å; M53-L288 HydrophobicContact CE-CD2 3.45Å; M53-L288 VanDerWaalsContact CE-CD2 3.45Å; M53-L288 HydrophobicContact SD-CD2 4.06Å
54E90.1Very high93.1Very high120 Ų12039.5 Ų39.556%0.56120%0.201SC*.Hα-helixtrans-48.9-40.9180-170.1-160-174.800114.3E51 L56 R304E51-E54 VanDerWaalsContact O-CB 3.24Å; E51-E54 WeakPolarHBondContact O-CB 3.29Å; E51-E54 PolarHBondContact O-N 3.49Å; E51-E54 VanDerWaalsContact O-N 3.09Å; E54-L56 PolarHBondContact O-N 3.09Å; E54-R304 IonicContact OE2-NH2 3.39Å; E54-R304 PolarHBondContact OE2-NH2 2.81Å
55P85.2Confident93.2Very high27 Ų2739.5 Ų39.518%0.17520%0.201CC..Hα-helixtrans-65.6-25.3179-20.734.9000113.7S52 M53 R59 L301 R304S52-P55 WeakPolarHBondContact O-CD 3.5Å; M53-P55 VanDerWaalsContact C-N 3.31Å; M53-P55 VanDerWaalsContact O-N 3.15Å; P55-R59 WeakPolarHBondContact O-CD 3.42Å; P55-R59 PolarHBondContact O-NE 3.07Å; P55-L301 HydrophobicContact CB-CD2 4.31Å; P55-L301 WeakPolarHBondContact O-CD2 3.41Å; P55-R304 HydrophobicContact CG-CG 4.48Å
56L87.5Confident93.3Very high2 Ų238.7 Ų38.71%0.0120%0.196CC..Hα-helixtrans-99.5-47.3-174.7-69.4175.2000112.4M53 E54 N58 R59 C60 L288 Q289 I292 L301M53-L56 HydrophobicContact CE-CB 3.93Å; M53-L56 HydrophobicContact CE-CD1 3.81Å; M53-L56 PolarHBondContact O-N 3.26Å; M53-L56 HydrophobicContact SD-CD1 4.05Å; E54-L56 PolarHBondContact O-N 3.09Å; L56-N58 VanDerWaalsContact C-N 3.25Å; L56-N58 PolarHBondContact O-N 2.94Å; L56-N58 VanDerWaalsContact O-N 3.13Å; L56-R59 PolarHBondContact O-N 2.99Å; L56-C60 PolarHBondContact O-N 3.27Å; L56-L288 HydrophobicContact CD1-CD2 4.06Å; L56-L288 HydrophobicContact CD1-CG 4.1Å; L56-Q289 HydrophobicContact CD1-CB 4.12Å; L56-I292 HydrophobicContact CD1-CD1 4.17Å; L56-I292 HydrophobicContact CD2-CD1 3.9Å; L56-L301 HydrophobicContact CD2-CD1 3.32Å; L56-L301 HydrophobicContact CG-CD1 4.44Å
57V89.4Confident93.5Very high10 Ų1033.4 Ų33.46%0.06117%0.168CC..Hα-helixtrans-56.7-37.6-16969.40000112.9L48 M53 R59L48-V57 HydrophobicContact CB-CG2 4.04Å; M53-V57 PolarHBondContact O-N 3.15Å; V57-R59 VanDerWaalsContact C-N 3.32Å; V57-R59 PolarHBondContact O-N 3.36Å
58N85.3Confident93.6Very high88 Ų8833.1 Ų33.147%0.47117%0.167SC..THydrogen-bonded Turntrans-82.6-5.5-178.7-66.9-42.5000114.1P24 L56P24-N58 WeakPolarHBondContact CD-O 3.49Å; L56-N58 VanDerWaalsContact C-N 3.25Å; L56-N58 PolarHBondContact O-N 2.94Å; L56-N58 VanDerWaalsContact O-N 3.13Å
59R87.2Confident93.7Very high150 Ų15033 Ų3357%0.56617%0.166SC*.THydrogen-bonded Turntrans-110.5-17.2-177.5-61-174.6-174.8-154.50.8113.3P55 L56 V57P55-R59 WeakPolarHBondContact O-CD 3.42Å; P55-R59 PolarHBondContact O-NE 3.07Å; L56-R59 PolarHBondContact O-N 2.99Å; V57-R59 VanDerWaalsContact C-N 3.32Å; V57-R59 PolarHBondContact O-N 3.36Å
60C91.4Very high93.8Very high18 Ų1831 Ų3112%0.12215%0.149CC..SBendtrans-111.7140.5-175.1-61.90000110.4P24 F31 L56 W62P24-C60 WeakPolarHBondContact CD-O 3.33Å; F31-C60 HydrophobicContact CD2-CB 3.73Å; F31-C60 HydrophobicContact CE2-CB 3.74Å; F31-C60 VanDerWaalsContact CE2-SG 3.58Å; L56-C60 PolarHBondContact O-N 3.27Å; C60-W62 HydrophobicContact CB-CZ2 4.43Å; C60-W62 VanDerWaalsContact O-CD1 3.23Å
61T94.3Very high93.9Very high6 Ų628.3 Ų28.34%0.03714%0.138CC..EExtended strand (participates in β ladder)trans-80.2121.8166.6-52.40000108.2I21 P24 N26 A30 F31 V63I21-T61 HydrophobicContact CG2-CG2 4.17Å; P24-T61 WeakPolarHBondContact O-CB 3.45Å; P24-T61 PolarHBondContact O-OG1 3.18Å; N26-T61 WeakPolarHBondContact CB-OG1 3.47Å; N26-T61 PolarHBondContact N-OG1 3.36Å; N26-T61 PolarHBondContact O-OG1 3.45Å; A30-T61 CarbonylContact C-O 3.59Å; A30-T61 WeakPolarHBondContact CA-O 3.46Å; A30-T61 HydrophobicContact CB-CG2 4.19Å; F31-T61 PolarHBondContact N-O 3.4Å; T61-V63 HydrophobicContact CG2-CG2 4.37Å
62W97.1Very high93.9Very high0 Ų025.5 Ų25.50%013%0.128CC..EExtended strand (participates in β ladder)trans-106.5130.3175.6-62.286.9000109.2I21 Q22 F31 T33 L48 M53 C60 H64 F108 L288I21-W62 CarbonylContact C-O 3.58Å; I21-W62 WeakPolarHBondContact CA-O 3.41Å; Q22-W62 HydrophobicContact CB-CB 4.2Å; Q22-W62 PolarHBondContact N-O 3.09Å; Q22-W62 PolarHBondContact O-N 3.16Å; F31-W62 HydrophobicContact CB-CD2 3.84Å; F31-W62 HydrophobicContact CB-CE3 3.37Å; F31-W62 HydrophobicContact CB-CH2 4.24Å; F31-W62 HydrophobicContact CB-CZ3 3.61Å; F31-W62 AromaticContact CD1-CH2 3.88Å; F31-W62 HydrophobicContact CD1-CH2 3.88Å; F31-W62 HydrophobicContact CD1-CZ2 4.5Å; F31-W62 AromaticContact CD1-CZ3 3.9Å; F31-W62 HydrophobicContact CD1-CZ3 3.9Å; F31-W62 HydrophobicContact CE1-CH2 4.48Å; F31-W62 HydrophobicContact CG-CD2 4.32Å; F31-W62 HydrophobicContact CG-CE3 4.02Å; F31-W62 AromaticContact CG-CH2 4Å; F31-W62 HydrophobicContact CG-CH2 4Å; F31-W62 HydrophobicContact CG-CZ2 4.3Å; F31-W62 AromaticContact CG-CZ3 3.86Å; F31-W62 HydrophobicContact CG-CZ3 3.86Å; T33-W62 HydrophobicContact CG2-CE3 3.71Å; T33-W62 HydrophobicContact CG2-CZ3 4.05Å; L48-W62 HydrophobicContact CD1-CB 4.19Å; L48-W62 HydrophobicContact CD1-CD2 3.45Å; L48-W62 VanDerWaalsContact CD1-CD2 3.45Å; L48-W62 HydrophobicContact CD1-CE3 3.74Å; L48-W62 HydrophobicContact CD1-CG 3.65Å; L48-W62 HydrophobicContact CD1-CZ2 4.41Å; L48-W62 HydrophobicContact CD1-CZ3 4.32Å; L48-W62 HydrophobicContact CD2-CD2 4.13Å; L48-W62 HydrophobicContact CD2-CE3 4.25Å; L48-W62 HydrophobicContact CD2-CH2 3.7Å; L48-W62 HydrophobicContact CD2-CZ2 3.53Å; L48-W62 HydrophobicContact CD2-CZ3 4.05Å; L48-W62 HydrophobicContact CG-CD2 4.44Å; M53-W62 HydrophobicContact CE-CH2 4.17Å; M53-W62 HydrophobicContact CE-CZ2 3.92Å; C60-W62 HydrophobicContact CB-CZ2 4.43Å; C60-W62 VanDerWaalsContact O-CD1 3.23Å; W62-H64 WeakPolarHBondContact CB-NE2 3.34Å; W62-F108 HydrophobicContact CZ3-CG 4.44Å; W62-L288 HydrophobicContact CH2-CD2 3.89Å
63V98.2Very high93.9Very high1 Ų127.5 Ų27.51%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-119.599.3178.6-1800000106.4V19 I21 A30 F31 L32 T33 T61 V65 L100 L102V19-V63 HydrophobicContact CG1-CG1 3.47Å; V19-V63 VanDerWaalsContact CG1-CG1 3.47Å; I21-V63 HydrophobicContact CG1-CG2 4.45Å; A30-V63 HydrophobicContact CB-CG2 4.13Å; F31-V63 PolarHBondContact O-N 3.39Å; L32-V63 HydrophobicContact CD1-CB 4.17Å; L32-V63 HydrophobicContact CD1-CG1 3.84Å; T33-V63 PolarHBondContact N-O 2.86Å; T61-V63 HydrophobicContact CG2-CG2 4.37Å; V63-V65 HydrophobicContact CG1-CG2 4.44Å; V63-L100 HydrophobicContact CG1-CD1 3.49Å; V63-L100 VanDerWaalsContact CG1-CD1 3.49Å; V63-L100 HydrophobicContact CG2-CD1 4.22Å; V63-L102 HydrophobicContact CG2-CD1 4.24Å
64H98.6Very high93.9Very high0 Ų029.8 Ų29.80%016%0.163CC..EExtended strand (participates in β ladder)trans-90.4128.1177.8-43.5-77000110V19 F20 Q22 T33 H41 W62V19-H64 CarbonylContact C-O 3.59Å; V19-H64 WeakPolarHBondContact CA-O 3.2Å; F20-H64 HydrophobicContact CB-CB 4.19Å; F20-H64 PolarHBondContact N-O 3.48Å; F20-H64 PolarHBondContact O-CD2 3.4Å; F20-H64 PolarHBondContact O-N 3.13Å; Q22-H64 PolarHBondContact OE1-NE2 2.96Å; T33-H64 VanDerWaalsContact OG1-CA 3.27Å; T33-H64 WeakPolarHBondContact OG1-CA 3.18Å; T33-H64 PolarHBondContact OG1-ND1 3.4Å; H41-H64 HydrophobicContact CB-CB 3.55Å; W62-H64 WeakPolarHBondContact CB-NE2 3.34Å
65V98.7Very high94.2Very high1 Ų128.7 Ų28.71%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-113.2123.8-179.4-177.70000109.1I17 V19 L32 T33 V34 H35 V63 M93 V96I17-V65 HydrophobicContact CG2-CG1 3.3Å; V19-V65 HydrophobicContact CG1-CG2 4.48Å; V19-V65 HydrophobicContact CG2-CG2 4.32Å; L32-V65 HydrophobicContact CD1-CG2 3.65Å; T33-V65 PolarHBondContact O-N 3.05Å; V34-V65 HydrophobicContact CG2-CB 4.37Å; H35-V65 PolarHBondContact CD2-O 2.94Å; V63-V65 HydrophobicContact CG1-CG2 4.44Å; V65-M93 HydrophobicContact CB-SD 3.91Å; V65-M93 HydrophobicContact CG1-CE 3.6Å; V65-M93 HydrophobicContact CG1-SD 3.59Å; V65-M93 VanDerWaalsContact CG1-SD 3.59Å; V65-M93 HydrophobicContact CG2-SD 4.09Å; V65-V96 HydrophobicContact CG2-CG1 4.19Å
66D98.6Very high94.6Very high0 Ų030.7 Ų30.70%018%0.178CC..EExtended strand (participates in β ladder)trans-84.4127.7167.1-76.4-3.4000109N18 F20 H35 N40 H41N18-D66 HydrophobicContact CB-CB 4.08Å; N18-D66 PolarHBondContact O-N 3.41Å; F20-D66 HydrophobicContact CE2-CB 4.44Å; F20-D66 VanDerWaalsContact CE2-OD2 3.3Å; F20-D66 WeakPolarHBondContact CE2-OD2 3.29Å; H35-D66 IonicContact CD2-OD1 2.97Å; N40-D66 WeakPolarHBondContact CB-OD1 3.37Å; H41-D66 VanDerWaalsContact CB-OD1 3.26Å; H41-D66 WeakPolarHBondContact CB-OD1 3.46Å; H41-D66 IonicContact CE1-OD2 3.06Å; H41-D66 IonicContact CG-OD1 2.85Å; H41-D66 IonicContact CG-OD2 3.27Å; H41-D66 PolarHBondContact N-OD1 2.95Å; H41-D66 VanDerWaalsContact ND1-CG 3.31Å; H41-D66 IonicContact ND1-OD1 2.85Å; H41-D66 PolarHBondContact ND1-OD1 3.38Å; H41-D66 IonicContact ND1-OD2 3.53Å; H41-D66 PolarHBondContact ND1-OD2 3.13Å
67V98.4Very high95Very high0 Ų031.9 Ų31.90%018%0.184CC..PPolyproline II helixtrans-58.8142.8167.2174.50000108.1V34 H35 G69 Q70 F83 L89 I116 F209V34-V67 HydrophobicContact CG1-CG2 3.93Å; H35-V67 PolarHBondContact NE2-N 3.34Å; V67-G69 PolarHBondContact O-N 3.11Å; V67-Q70 HydrophobicContact CB-CG 3.75Å; V67-Q70 HydrophobicContact CG1-CG 4.04Å; V67-Q70 VanDerWaalsContact O-CB 3.3Å; V67-Q70 WeakPolarHBondContact O-CB 3.44Å; V67-Q70 VanDerWaalsContact O-CG 3.26Å; V67-Q70 WeakPolarHBondContact O-CG 3.46Å; V67-Q70 PolarHBondContact O-N 2.92Å; V67-F83 HydrophobicContact CG1-CZ 3.78Å; V67-L89 HydrophobicContact CG1-CD1 4.22Å; V67-L89 HydrophobicContact CG1-CD2 4.02Å; V67-I116 HydrophobicContact CG2-CD1 4.04Å; V67-F209 HydrophobicContact CB-CD1 4.47Å; V67-F209 HydrophobicContact CB-CE1 4.25Å; V67-F209 HydrophobicContact CB-CZ 4.36Å; V67-F209 HydrophobicContact CG1-CD1 4.1Å; V67-F209 HydrophobicContact CG1-CD2 3.85Å; V67-F209 HydrophobicContact CG1-CE1 4.2Å; V67-F209 HydrophobicContact CG1-CE2 3.98Å; V67-F209 HydrophobicContact CG1-CG 3.94Å; V67-F209 HydrophobicContact CG1-CZ 4.16Å; V67-F209 HydrophobicContact CG2-CE1 4.1Å; V67-F209 HydrophobicContact CG2-CE2 4.29Å; V67-F209 HydrophobicContact CG2-CZ 3.85Å
68P98.3Very high95.3Very high3 Ų334.9 Ų34.92%0.01920%0.203CC..THydrogen-bonded Turntrans-49.2127.4-174.1-31.636.5000114.1C14 I17 Q70 Y81 F83 L89C14-P68 HydrophobicContact CB-CG 4.2Å; I17-P68 HydrophobicContact CG1-CG 4.48Å; P68-Q70 VanDerWaalsContact C-N 3.31Å; P68-Q70 PolarHBondContact O-N 3.11Å; P68-Q70 PolarHBondContact O-NE2 2.8Å; P68-Y81 WeakPolarHBondContact CB-OH 3.41Å; P68-F83 HydrophobicContact CB-CE2 4.39Å; P68-F83 WeakPolarHBondContact O-CE2 3.23Å; P68-L89 HydrophobicContact CG-CD2 4.48Å
69G96.8Very high95.6Very high1 Ų136 Ų361%0.0123%0.225CC..THydrogen-bonded Turntrans75.88.817800000115.7V67 E74 N205V67-G69 PolarHBondContact O-N 3.11Å; G69-E74 WeakPolarHBondContact CA-OE2 3.26Å; G69-N205 WeakPolarHBondContact CA-ND2 3.37Å; G69-N205 WeakPolarHBondContact O-CB 3.46Å; G69-N205 PolarHBondContact O-ND2 3.14Å
70Q97.1Very high95.9Very high0 Ų035.8 Ų35.80%024%0.235CC..  trans-95.3-7.3-178.9-54.4-51.5-66.200114.2N40 V67 P68 I201 N205 L206 F209N40-Q70 WeakPolarHBondContact CB-O 3.42Å; N40-Q70 PolarHBondContact ND2-O 2.86Å; V67-Q70 HydrophobicContact CB-CG 3.75Å; V67-Q70 HydrophobicContact CG1-CG 4.04Å; V67-Q70 VanDerWaalsContact O-CB 3.3Å; V67-Q70 WeakPolarHBondContact O-CB 3.44Å; V67-Q70 VanDerWaalsContact O-CG 3.26Å; V67-Q70 WeakPolarHBondContact O-CG 3.46Å; V67-Q70 PolarHBondContact O-N 2.92Å; P68-Q70 VanDerWaalsContact C-N 3.31Å; P68-Q70 PolarHBondContact O-N 3.11Å; P68-Q70 PolarHBondContact O-NE2 2.8Å; Q70-I201 WeakPolarHBondContact O-CD1 3.27Å; Q70-N205 VanDerWaalsContact NE2-C 3.33Å; Q70-N205 PolarHBondContact NE2-O 2.84Å; Q70-N205 VanDerWaalsContact NE2-O 3.16Å; Q70-L206 VanDerWaalsContact OE1-CD1 3.31Å; Q70-F209 HydrophobicContact CG-CD1 4Å
71G96.3Very high96.1Very high4 Ų437 Ų374%0.04124%0.238CC..SBendtrans-64.5157.8176.300000113.2G73 E74G71-G73 PolarHBondContact O-N 3.42Å; G71-E74 VanDerWaalsContact CA-OE1 3.3Å; G71-E74 WeakPolarHBondContact CA-OE1 3.42Å; G71-E74 PolarHBondContact N-OE1 3.37Å; G71-E74 PolarHBondContact O-N 2.8Å
72D95.7Very high96.2Very high81 Ų8142.8 Ų42.843%0.43327%0.273SS..THydrogen-bonded Turntrans-59.2126.7178.3-75-5.3000111.4N40 N42 E74 A200N40-D72 PolarHBondContact ND2-N 3.43Å; N40-D72 PolarHBondContact ND2-OD1 2.85Å; N42-D72 PolarHBondContact ND2-OD2 3.18Å; D72-E74 PolarHBondContact O-N 2.94Å; D72-A200 HydrophobicContact CB-CB 4.32Å; D72-A200 WeakPolarHBondContact OD1-CB 3.38Å
73G93.7Very high96.2Very high66 Ų6644.1 Ų44.168%0.6828%0.279SS*.THydrogen-bonded Turntrans69.113.3175.200000114.6G71 A200G71-G73 PolarHBondContact O-N 3.42Å; G73-A200 PolarHBondContact N-O 3.34Å
74E95Very high96.2Very high47 Ų4744.2 Ų44.222%0.2228%0.279CS..PPolyproline II helixtrans-61.8138.1177.7-78.4-159.6-121.500111.8N18 G69 G71 D72 N202N18-E74 PolarHBondContact ND2-OE1 3.01Å; N18-E74 VanDerWaalsContact ND2-OE1 3.07Å; G69-E74 WeakPolarHBondContact CA-OE2 3.26Å; G71-E74 VanDerWaalsContact CA-OE1 3.3Å; G71-E74 WeakPolarHBondContact CA-OE1 3.42Å; G71-E74 PolarHBondContact N-OE1 3.37Å; G71-E74 PolarHBondContact O-N 2.8Å; D72-E74 PolarHBondContact O-N 2.94Å; E74-N202 WeakPolarHBondContact O-CB 3.25Å; E74-N202 PolarHBondContact O-ND2 3.32Å
75S95.2Very high96.1Very high97 Ų9746.5 Ų46.568%0.67830%0.295SS*.PPolyproline II helixtrans-69.4165.6174.460.40000111.3L77 N205S75-L77 PolarHBondContact O-N 3.34Å; S75-N205 PolarHBondContact O-ND2 3.12Å
76D94.8Very high96Very high69 Ų6946.6 Ų46.637%0.36930%0.296SS..PPolyproline II helixtrans-53.7133.4173.6-70.2-3.8000110.4N202 R204D76-N202 PolarHBondContact N-ND2 3.22Å; D76-N202 PolarHBondContact OD1-ND2 3.16Å; D76-N202 PolarHBondContact OD1-OD1 3.09Å; D76-R204 WeakPolarHBondContact OD2-CD 3.25Å; D76-R204 IonicContact OD2-CZ 2.61Å; D76-R204 IonicContact OD2-NE 2.62Å; D76-R204 IonicContact OD2-NH1 3.03Å; D76-R204 PolarHBondContact OD2-NH1 2.8Å
77L95.3Very high95.9Very high28 Ų2849.8 Ų49.815%0.14731%0.311CS..PPolyproline II helixtrans-57.8145.8170.3-74.1165.6000109.9S75 Y81 F83 N205 K208S75-L77 PolarHBondContact O-N 3.34Å; L77-Y81 HydrophobicContact CB-CD1 4.08Å; L77-Y81 HydrophobicContact CD1-CD1 4Å; L77-Y81 HydrophobicContact CD1-CE1 3.88Å; L77-Y81 HydrophobicContact CD2-CD1 4.13Å; L77-Y81 HydrophobicContact CD2-CE1 4.13Å; L77-Y81 HydrophobicContact CG-CD1 4.31Å; L77-Y81 HydrophobicContact CG-CE1 4.47Å; L77-F83 HydrophobicContact CD1-CD2 3.84Å; L77-F83 HydrophobicContact CD1-CE2 4.11Å; L77-N205 HydrophobicContact CD1-CB 4.27Å; L77-N205 WeakPolarHBondContact CG-OD1 3.33Å; L77-N205 PolarHBondContact N-OD1 3.24Å; L77-K208 HydrophobicContact CD1-CD 3.94Å
78P95.1Very high95.9Very high72 Ų7253.5 Ų53.547%0.46833%0.328SS..PPolyproline II helixtrans-52.7147.3-178.6-26.434.2000113.1D80 Y81P78-D80 WeakPolarHBondContact CB-OD1 3.44Å; P78-D80 PolarHBondContact O-N 2.88Å; P78-Y81 VanDerWaalsContact O-CB 3.31Å; P78-Y81 WeakPolarHBondContact O-CB 3.35Å; P78-Y81 PolarHBondContact O-N 2.96Å
79A91.3Very high96Very high112 Ų11253.3 Ų53.393%0.92633%0.327SS*.THydrogen-bonded Turntrans-64.4-29-176.900000113.2
80D94.1Very high96Very high145 Ų14553.3 Ų53.378%0.77533%0.327SS*.THydrogen-bonded Turntrans-86.1-7.8175.861.4-35.5000113.4P78 T82P78-D80 WeakPolarHBondContact CB-OD1 3.44Å; P78-D80 PolarHBondContact O-N 2.88Å; D80-T82 PolarHBondContact O-N 3.31Å
81Y95.8Very high96.1Very high45 Ų4556.5 Ų56.518%0.17634%0.341CS..PPolyproline II helixtrans-75.7117.1177179.4-99.4000111.3C14 P68 L77 P78 F83 P84C14-Y81 WeakPolarHBondContact O-CE2 3.47Å; C14-Y81 PolarHBondContact O-OH 2.66Å; P68-Y81 WeakPolarHBondContact CB-OH 3.41Å; L77-Y81 HydrophobicContact CB-CD1 4.08Å; L77-Y81 HydrophobicContact CD1-CD1 4Å; L77-Y81 HydrophobicContact CD1-CE1 3.88Å; L77-Y81 HydrophobicContact CD2-CD1 4.13Å; L77-Y81 HydrophobicContact CD2-CE1 4.13Å; L77-Y81 HydrophobicContact CG-CD1 4.31Å; L77-Y81 HydrophobicContact CG-CE1 4.47Å; P78-Y81 VanDerWaalsContact O-CB 3.31Å; P78-Y81 WeakPolarHBondContact O-CB 3.35Å; P78-Y81 PolarHBondContact O-N 2.96Å; Y81-F83 HydrophobicContact CE1-CB 4.35Å; Y81-F83 HydrophobicContact CE1-CD2 4.06Å; Y81-P84 VanDerWaalsContact OH-CD 3.23Å; Y81-P84 WeakPolarHBondContact OH-CD 3.38Å
82T95.9Very high96.2Very high126 Ų12656.3 Ų56.377%0.77334%0.339SS*.PPolyproline II helixtrans-84.5117.1171.2-60.50000109.2D80D80-T82 PolarHBondContact O-N 3.31Å
83F96.9Very high96.4Very high29 Ų2952.4 Ų52.413%0.12732%0.319CS..PPolyproline II helixtrans-67132.4-179.5-165.2-85.5000110.8V67 P68 L77 Y81 L89 K208 F209V67-F83 HydrophobicContact CG1-CZ 3.78Å; P68-F83 HydrophobicContact CB-CE2 4.39Å; P68-F83 WeakPolarHBondContact O-CE2 3.23Å; L77-F83 HydrophobicContact CD1-CD2 3.84Å; L77-F83 HydrophobicContact CD1-CE2 4.11Å; Y81-F83 HydrophobicContact CE1-CB 4.35Å; Y81-F83 HydrophobicContact CE1-CD2 4.06Å; F83-L89 HydrophobicContact CE1-CD1 4.37Å; F83-K208 HydrophobicContact CB-CB 3.83Å; F83-K208 HydrophobicContact CB-CD 4.39Å; F83-K208 HydrophobicContact CB-CG 4.44Å; F83-K208 HydrophobicContact CD1-CB 4.27Å; F83-K208 HydrophobicContact CD2-CB 3.42Å; F83-K208 VanDerWaalsContact CD2-CB 3.42Å; F83-K208 HydrophobicContact CD2-CD 4.15Å; F83-K208 HydrophobicContact CD2-CG 4.41Å; F83-K208 HydrophobicContact CE2-CB 4Å; F83-K208 HydrophobicContact CG-CB 3.57Å; F83-F209 HydrophobicContact CE1-CB 4.17Å; F83-F209 HydrophobicContact CE1-CD2 4.19Å; F83-F209 HydrophobicContact CE2-CB 4.39Å; F83-F209 HydrophobicContact CZ-CB 3.66Å; F83-F209 HydrophobicContact CZ-CD2 4.15Å; F83-F209 HydrophobicContact CZ-CG 4.19Å
84P97.9Very high96.6Very high3 Ų350 Ų502%0.01929%0.291CS..PPolyproline II helixtrans-65.8144.8-175.226.2-36.4000112.1C14 Y81 Q88 L89 S212C14-P84 HydrophobicContact CB-CG 4.12Å; Y81-P84 VanDerWaalsContact OH-CD 3.23Å; Y81-P84 WeakPolarHBondContact OH-CD 3.38Å; P84-Q88 HydrophobicContact CB-CB 3.72Å; P84-L89 HydrophobicContact CB-CD2 4.24Å; P84-L89 HydrophobicContact CB-CG 4.16Å; P84-L89 HydrophobicContact CG-CD2 3.48Å; P84-L89 VanDerWaalsContact CG-CD2 3.48Å; P84-L89 HydrophobicContact CG-CG 3.85Å; P84-S212 WeakPolarHBondContact O-CB 3.26Å; P84-S212 PolarHBondContact O-OG 2.62Å
85S97.4Very high96.8Very high47 Ų4749.7 Ų49.733%0.32929%0.29SS..PPolyproline II helixtrans-63.3161.716667.10000111Q87 Q88 L89 S212S85-Q87 PolarHBondContact O-N 2.88Å; S85-Q87 VanDerWaalsContact O-N 3.15Å; S85-Q88 CarbonylContact O-C 3.59Å; S85-Q88 PolarHBondContact O-N 3.03Å; S85-Q88 WeakPolarHBondContact OG-CG 3.46Å; S85-Q88 PolarHBondContact OG-N 3.5Å; S85-Q88 PolarHBondContact OG-OE1 3.47Å; S85-L89 WeakPolarHBondContact O-CG 3.39Å; S85-L89 PolarHBondContact O-N 2.88Å; S85-S212 WeakPolarHBondContact CA-OG 3.17Å
86V96.8Very high96.9Very high3 Ų345 Ų452%0.01826%0.257CS..Hα-helixtrans-58.5-29.8176.3-172.40000112.7A90 N115 I116 S212 F213 R216V86-A90 PolarHBondContact O-N 3.09Å; V86-N115 WeakPolarHBondContact CG1-OD1 3.45Å; V86-I116 HydrophobicContact CG1-CG1 3.71Å; V86-S212 WeakPolarHBondContact CG2-O 3.32Å; V86-S212 PolarHBondContact N-OG 3.38Å; V86-F213 HydrophobicContact CG2-CD2 4.38Å; V86-R216 HydrophobicContact CB-CB 4.15Å; V86-R216 HydrophobicContact CG2-CB 3.73Å
87Q97.1Very high97.1Very high67 Ų6741.8 Ų41.831%0.31324%0.24SC..Hα-helixtrans-69.3-45.7174-171.560.234.400111.5S85 L89 A90 E91 R119S85-Q87 PolarHBondContact O-N 2.88Å; S85-Q87 VanDerWaalsContact O-N 3.15Å; Q87-L89 VanDerWaalsContact C-N 3.29Å; Q87-L89 PolarHBondContact O-N 3.17Å; Q87-A90 WeakPolarHBondContact O-CB 3.49Å; Q87-A90 PolarHBondContact O-N 3.24Å; Q87-A90 VanDerWaalsContact O-N 3.08Å; Q87-E91 PolarHBondContact O-N 3.48Å; Q87-R119 VanDerWaalsContact OE1-NH1 3.09Å
88Q98.3Very high97.2Very high78 Ų7844.8 Ų44.836%0.36426%0.256SS..Hα-helixtrans-65.1-32.3175.4-71.9168-5900112.5S13 C14 P84 S85 A90 E91 G92S13-Q88 WeakPolarHBondContact CB-O 3.34Å; C14-Q88 PolarHBondContact SG-O 2.81Å; P84-Q88 HydrophobicContact CB-CB 3.72Å; S85-Q88 CarbonylContact O-C 3.59Å; S85-Q88 PolarHBondContact O-N 3.03Å; S85-Q88 WeakPolarHBondContact OG-CG 3.46Å; S85-Q88 PolarHBondContact OG-N 3.5Å; S85-Q88 PolarHBondContact OG-OE1 3.47Å; Q88-A90 VanDerWaalsContact C-N 3.31Å; Q88-A90 PolarHBondContact O-N 3.47Å; Q88-E91 WeakPolarHBondContact O-CB 3.45Å; Q88-E91 PolarHBondContact O-N 2.78Å; Q88-G92 PolarHBondContact O-N 3.03Å
89L98.7Very high97.4Very high0 Ų044.2 Ų44.20%026%0.257CS..Hα-helixtrans-59.9-42.5170.6-73.8171.8000111.1V67 P68 F83 P84 S85 Q87 G92 M93 I116 F209V67-L89 HydrophobicContact CG1-CD1 4.22Å; V67-L89 HydrophobicContact CG1-CD2 4.02Å; P68-L89 HydrophobicContact CG-CD2 4.48Å; F83-L89 HydrophobicContact CE1-CD1 4.37Å; P84-L89 HydrophobicContact CB-CD2 4.24Å; P84-L89 HydrophobicContact CB-CG 4.16Å; P84-L89 HydrophobicContact CG-CD2 3.48Å; P84-L89 VanDerWaalsContact CG-CD2 3.48Å; P84-L89 HydrophobicContact CG-CG 3.85Å; S85-L89 WeakPolarHBondContact O-CG 3.39Å; S85-L89 PolarHBondContact O-N 2.88Å; Q87-L89 VanDerWaalsContact C-N 3.29Å; Q87-L89 PolarHBondContact O-N 3.17Å; L89-G92 PolarHBondContact O-N 3.24Å; L89-M93 WeakPolarHBondContact O-CE 3.28Å; L89-M93 WeakPolarHBondContact O-CG 3.42Å; L89-M93 PolarHBondContact O-N 2.74Å; L89-I116 HydrophobicContact CB-CD1 4.11Å; L89-I116 HydrophobicContact CB-CG1 4.08Å; L89-I116 HydrophobicContact CB-CG2 3.99Å; L89-I116 HydrophobicContact CD1-CD1 3.72Å; L89-I116 HydrophobicContact CD1-CG1 4.26Å; L89-I116 HydrophobicContact CG-CD1 4.48Å; L89-F209 HydrophobicContact CD1-CD2 4.37Å; L89-F209 HydrophobicContact CD1-CE2 4.11Å
90A98.5Very high97.6Very high0 Ų039.9 Ų39.90%022%0.219CC..Hα-helixtrans-66.9-3717600000112.6V86 Q87 Q88 M93 S94 I116 R119V86-A90 PolarHBondContact O-N 3.09Å; Q87-A90 WeakPolarHBondContact O-CB 3.49Å; Q87-A90 PolarHBondContact O-N 3.24Å; Q87-A90 VanDerWaalsContact O-N 3.08Å; Q88-A90 VanDerWaalsContact C-N 3.31Å; Q88-A90 PolarHBondContact O-N 3.47Å; A90-M93 WeakPolarHBondContact O-CB 3.4Å; A90-M93 PolarHBondContact O-N 3.07Å; A90-S94 PolarHBondContact O-N 2.96Å; A90-I116 HydrophobicContact CB-CG2 4.31Å; A90-I116 WeakPolarHBondContact CB-O 3.25Å; A90-R119 HydrophobicContact CB-CB 3.54Å
91E98.6Very high97.8Very high67 Ų6743 Ų4331%0.31322%0.22SC..Hα-helixtrans-62.2-44.2170.9-68159.6-171.900110.9S13 Q87 Q88 M93 S94 E95 L123S13-E91 WeakPolarHBondContact OG-CB 3.37Å; Q87-E91 PolarHBondContact O-N 3.48Å; Q88-E91 WeakPolarHBondContact O-CB 3.45Å; Q88-E91 PolarHBondContact O-N 2.78Å; E91-M93 VanDerWaalsContact C-N 3.3Å; E91-M93 PolarHBondContact O-N 3.4Å; E91-S94 WeakPolarHBondContact O-CA 3.37Å; E91-S94 VanDerWaalsContact O-CB 3.26Å; E91-S94 WeakPolarHBondContact O-CB 3.26Å; E91-S94 PolarHBondContact O-N 3.14Å; E91-E95 WeakPolarHBondContact O-CG 3.43Å; E91-E95 PolarHBondContact O-N 2.91Å; E91-L123 HydrophobicContact CG-CD2 3.98Å
92G98.6Very high97.8Very high0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-58.7-38172.400000113Q88 L89 S94 E95 V96Q88-G92 PolarHBondContact O-N 3.03Å; L89-G92 PolarHBondContact O-N 3.24Å; G92-S94 VanDerWaalsContact C-N 3.35Å; G92-E95 PolarHBondContact O-N 3.11Å; G92-V96 WeakPolarHBondContact O-CG2 3.19Å; G92-V96 PolarHBondContact O-N 3.16Å
93M98.7Very high97.7Very high0 Ų040.6 Ų40.60%020%0.202CC..Hα-helixtrans-64.4-39.8173.4-62.5-49.598.100111.8I17 L32 V34 V65 L89 A90 E91 E95 V96 C97 I116 L120I17-M93 HydrophobicContact CD1-CE 3.74Å; L32-M93 HydrophobicContact CD2-CB 4.21Å; V34-M93 HydrophobicContact CG2-CG 4.34Å; V34-M93 HydrophobicContact CG2-SD 3.68Å; V65-M93 HydrophobicContact CB-SD 3.91Å; V65-M93 HydrophobicContact CG1-CE 3.6Å; V65-M93 HydrophobicContact CG1-SD 3.59Å; V65-M93 VanDerWaalsContact CG1-SD 3.59Å; V65-M93 HydrophobicContact CG2-SD 4.09Å; L89-M93 WeakPolarHBondContact O-CE 3.28Å; L89-M93 WeakPolarHBondContact O-CG 3.42Å; L89-M93 PolarHBondContact O-N 2.74Å; A90-M93 WeakPolarHBondContact O-CB 3.4Å; A90-M93 PolarHBondContact O-N 3.07Å; E91-M93 VanDerWaalsContact C-N 3.3Å; E91-M93 PolarHBondContact O-N 3.4Å; M93-E95 VanDerWaalsContact C-N 3.31Å; M93-E95 PolarHBondContact O-N 3Å; M93-V96 WeakPolarHBondContact O-CB 3.22Å; M93-V96 PolarHBondContact O-N 3.27Å; M93-C97 PolarHBondContact O-N 2.83Å; M93-C97 PolarHBondContact O-SG 2.98Å; M93-I116 HydrophobicContact CG-CG2 3.79Å; M93-L120 HydrophobicContact CB-CD1 4.24Å; M93-L120 HydrophobicContact CB-CD2 3.89Å; M93-L120 HydrophobicContact CB-CG 4.49Å
94S98.6Very high97.8Very high14 Ų1443.5 Ų43.510%0.09821%0.212CC..Hα-helixtrans-61.4-41.2174176.80000111.3A90 E91 G92 C97 N98 R124A90-S94 PolarHBondContact O-N 2.96Å; E91-S94 WeakPolarHBondContact O-CA 3.37Å; E91-S94 VanDerWaalsContact O-CB 3.26Å; E91-S94 WeakPolarHBondContact O-CB 3.26Å; E91-S94 PolarHBondContact O-N 3.14Å; G92-S94 VanDerWaalsContact C-N 3.35Å; S94-C97 WeakPolarHBondContact O-CB 3.1Å; S94-C97 PolarHBondContact O-N 3.35Å; S94-N98 VanDerWaalsContact O-CG 3.28Å; S94-N98 PolarHBondContact O-N 3.36Å; S94-N98 PolarHBondContact O-OD1 2.73Å; S94-R124 WeakPolarHBondContact OG-CD 3.42Å; S94-R124 WeakPolarHBondContact OG-CG 3.37Å; S94-R124 PolarHBondContact OG-NH1 3.18Å
95E98.7Very high97.8Very high41 Ų4143.4 Ų43.419%0.19221%0.212CC..Hα-helixtrans-66.1-38.4175.6-66.6172.4-144.400112.3T11 E12 S13 E91 G92 M93 N98 A99T11-E95 VanDerWaalsContact C-OE2 3.23Å; T11-E95 WeakPolarHBondContact CA-OE2 3.45Å; T11-E95 WeakPolarHBondContact CB-OE2 3.42Å; T11-E95 HydrophobicContact CG2-CB 3.95Å; E12-E95 PolarHBondContact N-OE2 3.08Å; S13-E95 VanDerWaalsContact CB-OE1 3.26Å; S13-E95 WeakPolarHBondContact CB-OE1 3.4Å; S13-E95 PolarHBondContact N-OE1 3.04Å; S13-E95 PolarHBondContact OG-OE1 3.28Å; E91-E95 WeakPolarHBondContact O-CG 3.43Å; E91-E95 PolarHBondContact O-N 2.91Å; G92-E95 PolarHBondContact O-N 3.11Å; M93-E95 VanDerWaalsContact C-N 3.31Å; M93-E95 PolarHBondContact O-N 3Å; E95-N98 PolarHBondContact O-N 3.4Å; E95-A99 WeakPolarHBondContact O-CB 3.36Å; E95-A99 PolarHBondContact O-N 2.96Å
96V98.6Very high97.8Very high0 Ų041.1 Ų41.10%020%0.196CC..Hα-helixtrans-59.7-45.7171.3169.10000111V9 T11 I17 V19 V65 G92 M93 N98 A99 L100V9-V96 HydrophobicContact CB-CG2 4.25Å; V9-V96 HydrophobicContact CG1-CG2 4.13Å; T11-V96 HydrophobicContact CG2-CG2 4.17Å; I17-V96 HydrophobicContact CB-CG2 4.35Å; I17-V96 HydrophobicContact CD1-CG2 4.07Å; I17-V96 HydrophobicContact CG2-CG2 4.09Å; V19-V96 HydrophobicContact CG2-CG1 3.93Å; V19-V96 HydrophobicContact CG2-CG2 4.2Å; V65-V96 HydrophobicContact CG2-CG1 4.19Å; G92-V96 WeakPolarHBondContact O-CG2 3.19Å; G92-V96 PolarHBondContact O-N 3.16Å; M93-V96 WeakPolarHBondContact O-CB 3.22Å; M93-V96 PolarHBondContact O-N 3.27Å; V96-N98 VanDerWaalsContact C-N 3.28Å; V96-N98 PolarHBondContact O-N 2.81Å; V96-A99 PolarHBondContact O-N 3.18Å; V96-L100 HydrophobicContact CG1-CD1 3.87Å; V96-L100 HydrophobicContact CG1-CG 4.39Å; V96-L100 WeakPolarHBondContact O-CB 3.44Å; V96-L100 WeakPolarHBondContact O-CG 3.42Å; V96-L100 PolarHBondContact O-N 3.19Å
97C98.2Very high97.9Very high0 Ų041 Ų410%020%0.195CC..Hα-helixtrans-57.1-43.3175.1-65.10000111.8M93 S94 R101 L102 I127M93-C97 PolarHBondContact O-N 2.83Å; M93-C97 PolarHBondContact O-SG 2.98Å; S94-C97 WeakPolarHBondContact O-CB 3.1Å; S94-C97 PolarHBondContact O-N 3.35Å; C97-R101 PolarHBondContact O-N 3.38Å; C97-L102 HydrophobicContact CB-CB 4.45Å; C97-L102 HydrophobicContact CB-CD1 4.47Å; C97-L102 PolarHBondContact O-N 3.49Å; C97-I127 HydrophobicContact CB-CD1 3.94Å
98N98.1Very high98Very high91 Ų9137.8 Ų37.849%0.48718%0.18SC..Hα-helixtrans-67.4-45.7179.1-65.9-15.6000111.9S94 E95 V96 L100 R101 R124S94-N98 VanDerWaalsContact O-CG 3.28Å; S94-N98 PolarHBondContact O-N 3.36Å; S94-N98 PolarHBondContact O-OD1 2.73Å; E95-N98 PolarHBondContact O-N 3.4Å; V96-N98 VanDerWaalsContact C-N 3.28Å; V96-N98 PolarHBondContact O-N 2.81Å; N98-L100 VanDerWaalsContact C-N 3.3Å; N98-L100 PolarHBondContact O-N 3.14Å; N98-R101 PolarHBondContact O-N 2.81Å; N98-R124 PolarHBondContact OD1-NH1 3.24Å
99A97.8Very high98Very high60 Ų6034.1 Ų34.150%0.49616%0.163SC..Hα-helixtrans-61.7-38.5179.800000112.1V9 E95 V96 R101V9-A99 HydrophobicContact CG1-CB 3.55Å; E95-A99 WeakPolarHBondContact O-CB 3.36Å; E95-A99 PolarHBondContact O-N 2.96Å; V96-A99 PolarHBondContact O-N 3.18Å; A99-R101 VanDerWaalsContact C-N 3.28Å
100L97.1Very high97.9Very high21 Ų2134.2 Ų34.211%0.1116%0.163CC..THydrogen-bonded Turntrans-81.6-5175-67-178.5000113.9V19 I21 V63 V96 N98 L102V19-L100 HydrophobicContact CG1-CD1 4.13Å; I21-L100 HydrophobicContact CD1-CD1 4.18Å; I21-L100 HydrophobicContact CD1-CD2 3.84Å; V63-L100 HydrophobicContact CG1-CD1 3.49Å; V63-L100 VanDerWaalsContact CG1-CD1 3.49Å; V63-L100 HydrophobicContact CG2-CD1 4.22Å; V96-L100 HydrophobicContact CG1-CD1 3.87Å; V96-L100 HydrophobicContact CG1-CG 4.39Å; V96-L100 WeakPolarHBondContact O-CB 3.44Å; V96-L100 WeakPolarHBondContact O-CG 3.42Å; V96-L100 PolarHBondContact O-N 3.19Å; N98-L100 VanDerWaalsContact C-N 3.3Å; N98-L100 PolarHBondContact O-N 3.14Å; L100-L102 VanDerWaalsContact C-N 3.26Å; L100-L102 HydrophobicContact CB-CD1 4.35Å; L100-L102 HydrophobicContact CB-CD2 3.98Å; L100-L102 HydrophobicContact CB-CG 3.79Å; L100-L102 HydrophobicContact CD1-CD1 4.29Å; L100-L102 PolarHBondContact O-N 3.17Å
101R97.1Very high97.8Very high212 Ų21234.4 Ų34.480%0.817%0.165SC*.THydrogen-bonded Turntrans54.141.5-177-53.2178.5-177.7-178.1-0.3112.4C97 N98 A99 Q103C97-R101 PolarHBondContact O-N 3.38Å; N98-R101 PolarHBondContact O-N 2.81Å; A99-R101 VanDerWaalsContact C-N 3.28Å; R101-Q103 PolarHBondContact O-N 3.45Å
102L96.3Very high97.6Very high15 Ų1531.2 Ų31.28%0.07915%0.15CC..  trans-72.5119.9175.6-55.4-178.5000108.9A30 V63 C97 L100 V105A30-L102 HydrophobicContact CB-CD1 4.23Å; A30-L102 HydrophobicContact CB-CD2 3.93Å; V63-L102 HydrophobicContact CG2-CD1 4.24Å; C97-L102 HydrophobicContact CB-CB 4.45Å; C97-L102 HydrophobicContact CB-CD1 4.47Å; C97-L102 PolarHBondContact O-N 3.49Å; L100-L102 VanDerWaalsContact C-N 3.26Å; L100-L102 HydrophobicContact CB-CD1 4.35Å; L100-L102 HydrophobicContact CB-CD2 3.98Å; L100-L102 HydrophobicContact CB-CG 3.79Å; L100-L102 HydrophobicContact CD1-CD1 4.29Å; L100-L102 PolarHBondContact O-N 3.17Å; L102-V105 HydrophobicContact CB-CG1 3.91Å; L102-V105 HydrophobicContact CD1-CG1 3.73Å; L102-V105 HydrophobicContact CG-CG1 4.46Å
103Q94.6Very high97.6Very high105 Ų10531.2 Ų31.249%0.49115%0.15SC..SBendtrans-75.7-43.2-179.6-171.2-179.916.300111.3T27 R101 I127T27-Q103 PolarHBondContact O-N 2.98Å; R101-Q103 PolarHBondContact O-N 3.45Å; Q103-I127 VanDerWaalsContact O-CG2 3.27Å; Q103-I127 WeakPolarHBondContact O-CG2 3.32Å
104Y97.3Very high97.6Very high90 Ų9031.2 Ų31.235%0.35315%0.15SC..EExtended strand (participates in β ladder)trans-140.2149.3176-62.5-71.3000110.6K28 V29 A30 I127 L129K28-Y104 WeakPolarHBondContact O-CB 3.41Å; K28-Y104 WeakPolarHBondContact O-CD2 3.36Å; K28-Y104 PolarHBondContact O-N 2.99Å; V29-Y104 WeakPolarHBondContact CA-O 3.3Å; A30-Y104 PolarHBondContact N-O 3.04Å; A30-Y104 VanDerWaalsContact N-O 3.12Å; Y104-I127 CarbonylContact C-O 3.59Å; Y104-I127 VanDerWaalsContact CA-O 3.25Å; Y104-I127 WeakPolarHBondContact CA-O 3.36Å; Y104-L129 HydrophobicContact CD1-CD2 3.73Å; Y104-L129 HydrophobicContact CD1-CG 4.15Å; Y104-L129 HydrophobicContact CE1-CD2 4.35Å; Y104-L129 HydrophobicContact CG-CD1 4.11Å; Y104-L129 HydrophobicContact CG-CD2 4.08Å; Y104-L129 HydrophobicContact CG-CG 4.16Å
105V97.9Very high97.5Very high0 Ų030.5 Ų30.50%015%0.146CC..EExtended strand (participates in β ladder)trans-132.4145.2178.2-610000112.3A30 L32 L102 V107 I127 V128 L129A30-V105 CarbonylContact O-C 3.52Å; A30-V105 WeakPolarHBondContact O-CA 3.38Å; L32-V105 HydrophobicContact CB-CB 4.41Å; L102-V105 HydrophobicContact CB-CG1 3.91Å; L102-V105 HydrophobicContact CD1-CG1 3.73Å; L102-V105 HydrophobicContact CG-CG1 4.46Å; V105-V107 HydrophobicContact CG2-CG1 4.32Å; V105-I127 HydrophobicContact CG2-CD1 4.29Å; V105-I127 HydrophobicContact CG2-CG1 4.43Å; V105-I127 PolarHBondContact N-O 3.49Å; V105-V128 HydrophobicContact CG2-CB 4.45Å; V105-V128 HydrophobicContact CG2-CG2 3.77Å; V105-V128 CarbonylContact O-C 3.59Å; V105-V128 WeakPolarHBondContact O-CA 3.24Å; V105-L129 PolarHBondContact O-N 2.76Å
106V98.2Very high97.5Very high0 Ų028.6 Ų28.60%014%0.137CC..EExtended strand (participates in β ladder)trans-104.1125.8158.7179.10000106.4A30 F31 L32 L129 G130 F291 L295 L297A30-V106 PolarHBondContact O-N 2.84Å; F31-V106 CarbonylContact C-O 3.53Å; F31-V106 VanDerWaalsContact CA-O 3.23Å; F31-V106 WeakPolarHBondContact CA-O 3.47Å; F31-V106 HydrophobicContact CD1-CB 3.81Å; F31-V106 HydrophobicContact CD1-CG1 3.89Å; F31-V106 HydrophobicContact CE1-CB 3.67Å; F31-V106 HydrophobicContact CE1-CG1 3.57Å; F31-V106 HydrophobicContact CE1-CG2 4.25Å; F31-V106 HydrophobicContact CG-CB 4.4Å; F31-V106 HydrophobicContact CZ-CB 4.13Å; F31-V106 HydrophobicContact CZ-CG1 4.36Å; F31-V106 HydrophobicContact CZ-CG2 4.26Å; L32-V106 PolarHBondContact N-O 2.79Å; V106-L129 HydrophobicContact CG2-CB 4.19Å; V106-G130 WeakPolarHBondContact CA-O 3.34Å; V106-F291 HydrophobicContact CG1-CE1 4.16Å; V106-L295 HydrophobicContact CG1-CD1 4.32Å; V106-L295 HydrophobicContact CG2-CD1 3.72Å; V106-L297 HydrophobicContact CG2-CD1 3.65Å
107V98.7Very high97.5Very high0 Ų028.6 Ų28.60%014%0.137CC..EExtended strand (participates in β ladder)trans-88.4139.5-179.7-57.30000110.3L32 V105 L117 L120 V121 V128 G130 A131 V132L32-V107 CarbonylContact O-C 3.17Å; L32-V107 WeakPolarHBondContact O-CA 3.5Å; V105-V107 HydrophobicContact CG2-CG1 4.32Å; V107-L117 HydrophobicContact CB-CB 4.04Å; V107-L117 HydrophobicContact CB-CD1 4.09Å; V107-L117 HydrophobicContact CB-CD2 4.02Å; V107-L117 HydrophobicContact CB-CG 4.27Å; V107-L117 HydrophobicContact CG1-CD2 3.96Å; V107-L117 HydrophobicContact CG2-CB 4.17Å; V107-L120 HydrophobicContact CG1-CD2 4.14Å; V107-V121 HydrophobicContact CG2-CG2 3.59Å; V107-V128 HydrophobicContact CG1-CG1 4.28Å; V107-V128 HydrophobicContact CG1-CG2 4.4Å; V107-G130 PolarHBondContact N-O 3.39Å; V107-A131 HydrophobicContact CG2-CB 3.43Å; V107-A131 VanDerWaalsContact CG2-CB 3.43Å; V107-V132 PolarHBondContact O-N 2.93Å
108F98.7Very high97.5Very high0 Ų028.7 Ų28.70%014%0.137CC..EExtended strand (participates in β ladder)trans-136.6108178.1-178-79.1000108.8L32 T33 V34 I44 F47 W62 L117 V132 I134 L277 V284 L288L32-F108 PolarHBondContact O-N 3.19Å; T33-F108 WeakPolarHBondContact CA-O 3.21Å; T33-F108 WeakPolarHBondContact CB-O 3.27Å; T33-F108 HydrophobicContact CG2-CB 4.01Å; T33-F108 HydrophobicContact CG2-CD1 4.37Å; V34-F108 PolarHBondContact N-O 3.13Å; I44-F108 HydrophobicContact CD1-CD1 4.45Å; I44-F108 HydrophobicContact CG2-CD1 4.35Å; I44-F108 HydrophobicContact CG2-CE1 4.25Å; F47-F108 HydrophobicContact CD1-CE1 4.5Å; F47-F108 HydrophobicContact CD1-CZ 4.12Å; F47-F108 HydrophobicContact CE1-CE2 4.32Å; F47-F108 AromaticContact CE1-CZ 3.74Å; F47-F108 HydrophobicContact CE1-CZ 3.74Å; F47-F108 HydrophobicContact CZ-CZ 4.44Å; W62-F108 HydrophobicContact CZ3-CG 4.44Å; F108-L117 WeakPolarHBondContact O-CD1 3.45Å; F108-V132 WeakPolarHBondContact CA-O 3.44Å; F108-V132 HydrophobicContact CB-CB 4.5Å; F108-V132 HydrophobicContact CD2-CB 3.74Å; F108-V132 HydrophobicContact CD2-CG1 3.66Å; F108-V132 HydrophobicContact CD2-CG2 4.32Å; F108-V132 HydrophobicContact CE2-CB 4.43Å; F108-V132 HydrophobicContact CE2-CG1 3.85Å; F108-V132 HydrophobicContact CG-CB 4.43Å; F108-I134 HydrophobicContact CE1-CD1 3.91Å; F108-I134 HydrophobicContact CE2-CD1 4.03Å; F108-I134 HydrophobicContact CZ-CD1 3.51Å; F108-L277 HydrophobicContact CE1-CD1 4.48Å; F108-L277 HydrophobicContact CE1-CD2 4.47Å; F108-L277 HydrophobicContact CZ-CD2 4.02Å; F108-V284 HydrophobicContact CZ-CG1 4.49Å; F108-L288 HydrophobicContact CD2-CD1 4.16Å; F108-L288 HydrophobicContact CD2-CD2 4.48Å; F108-L288 HydrophobicContact CE2-CD1 4.31Å; F108-L288 HydrophobicContact CE2-CD2 4.1Å
109G98.4Very high97.5Very high0 Ų024.6 Ų24.60%012%0.115CC..EExtended strand (participates in β ladder)trans-138.3155.7-175.800000113.2V34 A114 V132 I134V34-G109 WeakPolarHBondContact O-CA 3.3Å; G109-A114 WeakPolarHBondContact O-CB 3.4Å; G109-V132 PolarHBondContact N-O 2.71Å; G109-I134 WeakPolarHBondContact O-CB 3.1Å; G109-I134 PolarHBondContact O-N 3.38Å
110E97.6Very high97.6Very high2 Ų221.8 Ų21.81%0.0099%0.091CC..EExtended strand (participates in β ladder)trans-116.1139.6172.8-171.6179.2-178.600111.2V34 D36 E43 A112 G113 A114 I134 H135 N275 L277V34-E110 PolarHBondContact O-N 3.01Å; D36-E110 HydrophobicContact CB-CB 4.29Å; D36-E110 HydrophobicContact CB-CG 4.15Å; E43-E110 VanDerWaalsContact CD-OE2 3.29Å; E110-A112 PolarHBondContact O-N 2.86Å; E110-A112 VanDerWaalsContact O-N 3.12Å; E110-G113 WeakPolarHBondContact O-CA 3.3Å; E110-G113 PolarHBondContact O-N 3.18Å; E110-A114 PolarHBondContact O-N 2.91Å; E110-I134 CarbonylContact C-O 3.54Å; E110-I134 WeakPolarHBondContact CA-O 3.22Å; E110-I134 HydrophobicContact CB-CB 4.28Å; E110-I134 HydrophobicContact CG-CB 4.25Å; E110-I134 HydrophobicContact CG-CG2 4.19Å; E110-H135 IonicContact OE1-CD2 2.94Å; E110-N275 PolarHBondContact OE1-ND2 2.96Å; E110-L277 HydrophobicContact CB-CD1 4.46Å; E110-L277 WeakPolarHBondContact OE2-CD1 3.2Å
111G95.4Very high97.6Very high4 Ų420.8 Ų20.84%0.0419%0.086CC..Hα-helixtrans51.2-113.8170.500000113.9A114 N115 I134G111-A114 WeakPolarHBondContact O-CB 3.22Å; G111-A114 PolarHBondContact O-N 3.47Å; G111-N115 PolarHBondContact O-N 2.95Å; G111-N115 VanDerWaalsContact O-N 3.08Å; G111-I134 PolarHBondContact N-O 3.12Å
112A95.8Very high97.6Very high0 Ų011.5 Ų11.50%05%0.052CC..Hα-helixtrans-62.9-40.8176.200000112.7D36 L37 E110 A114 N115 I116 F209 F213D36-A112 WeakPolarHBondContact OD1-CB 3.39Å; D36-A112 PolarHBondContact OD1-N 3.39Å; L37-A112 HydrophobicContact CD2-CB 3.99Å; L37-A112 HydrophobicContact CG-CB 3.9Å; E110-A112 PolarHBondContact O-N 2.86Å; E110-A112 VanDerWaalsContact O-N 3.12Å; A112-A114 VanDerWaalsContact C-N 3.33Å; A112-A114 PolarHBondContact O-N 3.05Å; A112-N115 WeakPolarHBondContact O-CB 3.34Å; A112-N115 PolarHBondContact O-N 3.45Å; A112-N115 VanDerWaalsContact O-N 3.15Å; A112-I116 WeakPolarHBondContact O-CG1 3.35Å; A112-I116 PolarHBondContact O-N 3.02Å; A112-F209 HydrophobicContact CB-CE1 4.47Å; A112-F209 HydrophobicContact CB-CE2 4.28Å; A112-F209 HydrophobicContact CB-CZ 3.73Å; A112-F213 VanDerWaalsContact CA-CE2 3.48Å; A112-F213 HydrophobicContact CB-CD1 4.31Å; A112-F213 HydrophobicContact CB-CD2 3.58Å; A112-F213 HydrophobicContact CB-CE1 4.34Å; A112-F213 HydrophobicContact CB-CE2 3.65Å; A112-F213 HydrophobicContact CB-CG 3.93Å; A112-F213 HydrophobicContact CB-CZ 4.03Å
113G98.2Very high97.7Very high0 Ų014.2 Ų14.20%07%0.066CC..Hα-helixtrans-61.8-39.317300000112.7V34 H35 E110 N115 I116 L117V34-G113 VanDerWaalsContact CG1-CA 3.48Å; H35-G113 WeakPolarHBondContact O-CA 3.4Å; H35-G113 PolarHBondContact O-N 3.49Å; H35-G113 VanDerWaalsContact O-N 3.14Å; E110-G113 WeakPolarHBondContact O-CA 3.3Å; E110-G113 PolarHBondContact O-N 3.18Å; G113-N115 VanDerWaalsContact C-N 3.32Å; G113-N115 PolarHBondContact O-N 2.86Å; G113-I116 PolarHBondContact O-N 2.94Å; G113-L117 WeakPolarHBondContact O-CB 3.47Å; G113-L117 WeakPolarHBondContact O-CG 3.42Å; G113-L117 PolarHBondContact O-N 3.2Å
114A98.2Very high97.9Very high0 Ų010.9 Ų10.90%05%0.049CC..Hα-helixtrans-62.7-37.8172.700000112.3G109 E110 G111 A112 L117 V118 L133 C136G109-A114 WeakPolarHBondContact O-CB 3.4Å; E110-A114 PolarHBondContact O-N 2.91Å; G111-A114 WeakPolarHBondContact O-CB 3.22Å; G111-A114 PolarHBondContact O-N 3.47Å; A112-A114 VanDerWaalsContact C-N 3.33Å; A112-A114 PolarHBondContact O-N 3.05Å; A114-L117 PolarHBondContact O-N 3.44Å; A114-V118 PolarHBondContact O-N 3.35Å; A114-L133 HydrophobicContact CB-CD2 4.25Å; A114-C136 HydrophobicContact CB-CB 3.55Å
115N97.4Very high97.8Very high0 Ų012.8 Ų12.80%06%0.057CC..Hα-helixtrans-67.7-38.3175.7-169.9-83.4000112.3V86 G111 A112 G113 V118 R119 T137 F213V86-N115 WeakPolarHBondContact CG1-OD1 3.45Å; G111-N115 PolarHBondContact O-N 2.95Å; G111-N115 VanDerWaalsContact O-N 3.08Å; A112-N115 WeakPolarHBondContact O-CB 3.34Å; A112-N115 PolarHBondContact O-N 3.45Å; A112-N115 VanDerWaalsContact O-N 3.15Å; G113-N115 VanDerWaalsContact C-N 3.32Å; G113-N115 PolarHBondContact O-N 2.86Å; N115-V118 VanDerWaalsContact O-CG1 3.3Å; N115-V118 WeakPolarHBondContact O-CG1 3.48Å; N115-R119 WeakPolarHBondContact O-CG 3.19Å; N115-R119 PolarHBondContact O-N 3.46Å; N115-R119 PolarHBondContact OD1-NE 3.41Å; N115-R119 PolarHBondContact OD1-NH2 3.26Å; N115-T137 PolarHBondContact ND2-O 2.77Å; N115-F213 HydrophobicContact CB-CE2 3.89Å
116I98.5Very high97.6Very high1 Ų116.9 Ų16.91%0.0058%0.079CC..Hα-helixtrans-62.4-47.6173.3-66.3162.5000109.3V34 V67 V86 L89 A90 M93 A112 G113 R119 L120 F209V34-I116 HydrophobicContact CG1-CD1 4.13Å; V67-I116 HydrophobicContact CG2-CD1 4.04Å; V86-I116 HydrophobicContact CG1-CG1 3.71Å; L89-I116 HydrophobicContact CB-CD1 4.11Å; L89-I116 HydrophobicContact CB-CG1 4.08Å; L89-I116 HydrophobicContact CB-CG2 3.99Å; L89-I116 HydrophobicContact CD1-CD1 3.72Å; L89-I116 HydrophobicContact CD1-CG1 4.26Å; L89-I116 HydrophobicContact CG-CD1 4.48Å; A90-I116 HydrophobicContact CB-CG2 4.31Å; A90-I116 WeakPolarHBondContact CB-O 3.25Å; M93-I116 HydrophobicContact CG-CG2 3.79Å; A112-I116 WeakPolarHBondContact O-CG1 3.35Å; A112-I116 PolarHBondContact O-N 3.02Å; G113-I116 PolarHBondContact O-N 2.94Å; I116-R119 WeakPolarHBondContact O-CB 3.39Å; I116-R119 PolarHBondContact O-N 2.81Å; I116-L120 PolarHBondContact O-N 2.97Å; I116-L120 VanDerWaalsContact O-N 3.1Å; I116-F209 HydrophobicContact CD1-CE2 4.07Å; I116-F209 HydrophobicContact CD1-CZ 4.16Å
117L98.8Very high97.6Very high0 Ų017.5 Ų17.50%08%0.082CC..Hα-helixtrans-69.6-34.5-176.6-73.7174.1000113.6L32 V34 V107 F108 G113 A114 R119 L120 V121L32-L117 HydrophobicContact CD2-CD2 3.77Å; L32-L117 HydrophobicContact CG-CD2 4.16Å; V34-L117 HydrophobicContact CB-CD1 3.9Å; V34-L117 HydrophobicContact CB-CG 4.05Å; V34-L117 HydrophobicContact CG2-CD1 3.82Å; V34-L117 HydrophobicContact CG2-CD2 3.71Å; V34-L117 HydrophobicContact CG2-CG 3.68Å; V107-L117 HydrophobicContact CB-CB 4.04Å; V107-L117 HydrophobicContact CB-CD1 4.09Å; V107-L117 HydrophobicContact CB-CD2 4.02Å; V107-L117 HydrophobicContact CB-CG 4.27Å; V107-L117 HydrophobicContact CG1-CD2 3.96Å; V107-L117 HydrophobicContact CG2-CB 4.17Å; F108-L117 WeakPolarHBondContact O-CD1 3.45Å; G113-L117 WeakPolarHBondContact O-CB 3.47Å; G113-L117 WeakPolarHBondContact O-CG 3.42Å; G113-L117 PolarHBondContact O-N 3.2Å; A114-L117 PolarHBondContact O-N 3.44Å; L117-R119 PolarHBondContact O-N 2.78Å; L117-L120 HydrophobicContact CD2-CD2 4Å; L117-L120 CarbonylContact O-C 3.58Å; L117-L120 WeakPolarHBondContact O-CA 3.22Å; L117-L120 WeakPolarHBondContact O-CB 3.45Å; L117-L120 PolarHBondContact O-N 3.49Å; L117-L120 VanDerWaalsContact O-N 3.12Å; L117-V121 VanDerWaalsContact O-CG2 3.23Å; L117-V121 WeakPolarHBondContact O-CG2 3.37Å; L117-V121 PolarHBondContact O-N 2.89Å
118V98.1Very high97.5Very high1 Ų117.9 Ų17.91%0.0068%0.084CC..Hα-helixtrans-67.1-28.717471.90000111.9A114 N115 V121 M122 L133 I219 I226A114-V118 PolarHBondContact O-N 3.35Å; N115-V118 VanDerWaalsContact O-CG1 3.3Å; N115-V118 WeakPolarHBondContact O-CG1 3.48Å; V118-V121 WeakPolarHBondContact O-CB 3.36Å; V118-V121 PolarHBondContact O-N 3.17Å; V118-M122 WeakPolarHBondContact O-CE 2.97Å; V118-M122 WeakPolarHBondContact O-CG 3.24Å; V118-M122 PolarHBondContact O-N 3.01Å; V118-L133 HydrophobicContact CB-CD1 4.03Å; V118-L133 HydrophobicContact CB-CD2 4.29Å; V118-L133 HydrophobicContact CG2-CD1 3.92Å; V118-I219 HydrophobicContact CG1-CD1 3.37Å; V118-I219 HydrophobicContact CG2-CD1 4.4Å; V118-I226 HydrophobicContact CG2-CD1 3.94Å
119R98.2Very high97.5Very high6 Ų620.4 Ų20.42%0.02310%0.097CC..Hα-helixtrans-68.9-38.7169.6-66166.8-173.2-83.8-3.2112.1Q87 A90 N115 I116 L117 V121 M122 L123 T217 I219Q87-R119 VanDerWaalsContact OE1-NH1 3.09Å; A90-R119 HydrophobicContact CB-CB 3.54Å; N115-R119 WeakPolarHBondContact O-CG 3.19Å; N115-R119 PolarHBondContact O-N 3.46Å; N115-R119 PolarHBondContact OD1-NE 3.41Å; N115-R119 PolarHBondContact OD1-NH2 3.26Å; I116-R119 WeakPolarHBondContact O-CB 3.39Å; I116-R119 PolarHBondContact O-N 2.81Å; L117-R119 PolarHBondContact O-N 2.78Å; R119-V121 VanDerWaalsContact C-N 3.3Å; R119-V121 PolarHBondContact O-N 3.34Å; R119-M122 HydrophobicContact CB-CE 4.34Å; R119-M122 HydrophobicContact CG-CE 4.04Å; R119-M122 PolarHBondContact O-N 3.47Å; R119-L123 VanDerWaalsContact O-CB 3.3Å; R119-L123 WeakPolarHBondContact O-CB 3.23Å; R119-L123 PolarHBondContact O-N 3.07Å; R119-T217 PolarHBondContact NH1-OG1 3.28Å; R119-T217 PolarHBondContact NH2-O 3.09Å; R119-T217 PolarHBondContact NH2-OG1 3.39Å; R119-I219 HydrophobicContact CG-CG2 4.05Å
120L98.6Very high97.4Very high0 Ų020.4 Ų20.40%010%0.097CC..Hα-helixtrans-61.2-40.8171.4179.769.8000111.1L32 M93 V107 I116 L117 M122 L123 R124L32-L120 HydrophobicContact CD2-CD2 3.39Å; M93-L120 HydrophobicContact CB-CD1 4.24Å; M93-L120 HydrophobicContact CB-CD2 3.89Å; M93-L120 HydrophobicContact CB-CG 4.49Å; V107-L120 HydrophobicContact CG1-CD2 4.14Å; I116-L120 PolarHBondContact O-N 2.97Å; I116-L120 VanDerWaalsContact O-N 3.1Å; L117-L120 HydrophobicContact CD2-CD2 4Å; L117-L120 CarbonylContact O-C 3.58Å; L117-L120 WeakPolarHBondContact O-CA 3.22Å; L117-L120 WeakPolarHBondContact O-CB 3.45Å; L117-L120 PolarHBondContact O-N 3.49Å; L117-L120 VanDerWaalsContact O-N 3.12Å; L120-M122 VanDerWaalsContact C-N 3.3Å; L120-M122 PolarHBondContact O-N 3.49Å; L120-L123 PolarHBondContact O-N 3.08Å; L120-R124 HydrophobicContact CD1-CB 3.99Å; L120-R124 HydrophobicContact CD1-CG 3.7Å; L120-R124 HydrophobicContact CG-CB 4.47Å; L120-R124 WeakPolarHBondContact O-CA 3.32Å; L120-R124 WeakPolarHBondContact O-CB 3.38Å; L120-R124 PolarHBondContact O-N 3.22Å
121V98.4Very high97.5Very high1 Ų120.3 Ų20.31%0.00610%0.097CC..Hα-helixtrans-56.3-44.5175.9173.80000111.3V107 L117 V118 R119 Y125 V128 A131 I226 C228V107-V121 HydrophobicContact CG2-CG2 3.59Å; L117-V121 VanDerWaalsContact O-CG2 3.23Å; L117-V121 WeakPolarHBondContact O-CG2 3.37Å; L117-V121 PolarHBondContact O-N 2.89Å; V118-V121 WeakPolarHBondContact O-CB 3.36Å; V118-V121 PolarHBondContact O-N 3.17Å; R119-V121 VanDerWaalsContact C-N 3.3Å; R119-V121 PolarHBondContact O-N 3.34Å; V121-Y125 PolarHBondContact O-N 2.96Å; V121-V128 HydrophobicContact CB-CG1 4.49Å; V121-V128 HydrophobicContact CG1-CG1 4.43Å; V121-V128 HydrophobicContact CG2-CG1 3.9Å; V121-A131 HydrophobicContact CG2-CB 3.83Å; V121-I226 HydrophobicContact CG1-CB 4.41Å; V121-I226 HydrophobicContact CG1-CG1 4.16Å; V121-I226 HydrophobicContact CG1-CG2 4Å; V121-C228 VanDerWaalsContact CG1-SG 3.56Å
122M97.5Very high97.6Very high16 Ų1620.1 Ų20.18%0.07910%0.095CC..Hα-helixtrans-69.7-39.5177.1-64.9179.6-69.200112V118 R119 L120 I219 H222 Q225 I226V118-M122 WeakPolarHBondContact O-CE 2.97Å; V118-M122 WeakPolarHBondContact O-CG 3.24Å; V118-M122 PolarHBondContact O-N 3.01Å; R119-M122 HydrophobicContact CB-CE 4.34Å; R119-M122 HydrophobicContact CG-CE 4.04Å; R119-M122 PolarHBondContact O-N 3.47Å; L120-M122 VanDerWaalsContact C-N 3.3Å; L120-M122 PolarHBondContact O-N 3.49Å; M122-I219 HydrophobicContact CE-CB 4.03Å; M122-I219 HydrophobicContact CE-CG2 3.98Å; M122-H222 HydrophobicContact SD-CB 3.89Å; M122-Q225 HydrophobicContact CB-CB 3.95Å; M122-Q225 HydrophobicContact CG-CB 4Å; M122-I226 HydrophobicContact CG-CG1 3.81Å
123L97.8Very high97.8Very high72 Ų7220.1 Ų20.138%0.37710%0.095SC..Hα-helixtrans-72.3-38-178.3-17963.2000113.4E91 R119 L120E91-L123 HydrophobicContact CG-CD2 3.98Å; R119-L123 VanDerWaalsContact O-CB 3.3Å; R119-L123 WeakPolarHBondContact O-CB 3.23Å; R119-L123 PolarHBondContact O-N 3.07Å; L120-L123 PolarHBondContact O-N 3.08Å
124R97.2Very high97.8Very high36 Ų3620.1 Ų20.114%0.13610%0.095CC..THydrogen-bonded Turntrans-125.545.6-169.3-68.6-57.2-56.1-83.54.5112.1S94 N98 L120 D126 I127 V128S94-R124 WeakPolarHBondContact OG-CD 3.42Å; S94-R124 WeakPolarHBondContact OG-CG 3.37Å; S94-R124 PolarHBondContact OG-NH1 3.18Å; N98-R124 PolarHBondContact OD1-NH1 3.24Å; L120-R124 HydrophobicContact CD1-CB 3.99Å; L120-R124 HydrophobicContact CD1-CG 3.7Å; L120-R124 HydrophobicContact CG-CB 4.47Å; L120-R124 WeakPolarHBondContact O-CA 3.32Å; L120-R124 WeakPolarHBondContact O-CB 3.38Å; L120-R124 PolarHBondContact O-N 3.22Å; R124-D126 WeakPolarHBondContact CA-OD1 3.44Å; R124-D126 IonicContact CZ-OD1 2.68Å; R124-D126 IonicContact CZ-OD2 3.83Å; R124-D126 IonicContact NE-OD1 3.54Å; R124-D126 PolarHBondContact NE-OD1 3.06Å; R124-D126 IonicContact NE-OD2 2.99Å; R124-D126 PolarHBondContact NE-OD2 3.46Å; R124-D126 IonicContact NH2-OD1 3.58Å; R124-D126 IonicContact NH2-OD2 3.52Å; R124-D126 PolarHBondContact NH2-OD2 2.92Å; R124-D126 PolarHBondContact O-N 3.11Å; R124-I127 HydrophobicContact CB-CD1 4.29Å; R124-I127 HydrophobicContact CB-CG1 3.89Å; R124-I127 PolarHBondContact O-N 3.3Å; R124-I127 VanDerWaalsContact O-N 3.11Å; R124-V128 HydrophobicContact CB-CG2 4.46Å; R124-V128 WeakPolarHBondContact O-CG2 3.44Å; R124-V128 PolarHBondContact O-N 3.47Å; R124-V128 VanDerWaalsContact O-N 3.16Å
125Y95.2Very high97.6Very high130 Ų13021 Ų2151%0.5110%0.099SC..THydrogen-bonded Turntrans-57.7-16.9176.669.9-99.6000113.3V121V121-Y125 PolarHBondContact O-N 2.96Å
126D95.6Very high97.6Very high86 Ų8621 Ų2146%0.4610%0.099SC..THydrogen-bonded Turntrans-70.3-30.5177.360.6-53.4000113.7R124R124-D126 WeakPolarHBondContact CA-OD1 3.44Å; R124-D126 IonicContact CZ-OD1 2.68Å; R124-D126 IonicContact CZ-OD2 3.83Å; R124-D126 IonicContact NE-OD1 3.54Å; R124-D126 PolarHBondContact NE-OD1 3.06Å; R124-D126 IonicContact NE-OD2 2.99Å; R124-D126 PolarHBondContact NE-OD2 3.46Å; R124-D126 IonicContact NH2-OD1 3.58Å; R124-D126 IonicContact NH2-OD2 3.52Å; R124-D126 PolarHBondContact NH2-OD2 2.92Å; R124-D126 PolarHBondContact O-N 3.11Å
127I96.6Very high97.1Very high13 Ų1321.3 Ų21.37%0.06710%0.101CC..THydrogen-bonded Turntrans-115.9-16.6-177.260.6163.1000113.8C97 Q103 Y104 V105 R124 L129C97-I127 HydrophobicContact CB-CD1 3.94Å; Q103-I127 VanDerWaalsContact O-CG2 3.27Å; Q103-I127 WeakPolarHBondContact O-CG2 3.32Å; Y104-I127 CarbonylContact C-O 3.59Å; Y104-I127 VanDerWaalsContact CA-O 3.25Å; Y104-I127 WeakPolarHBondContact CA-O 3.36Å; V105-I127 HydrophobicContact CG2-CD1 4.29Å; V105-I127 HydrophobicContact CG2-CG1 4.43Å; V105-I127 PolarHBondContact N-O 3.49Å; R124-I127 HydrophobicContact CB-CD1 4.29Å; R124-I127 HydrophobicContact CB-CG1 3.89Å; R124-I127 PolarHBondContact O-N 3.3Å; R124-I127 VanDerWaalsContact O-N 3.11Å; I127-L129 PolarHBondContact O-N 2.94Å
128V98.1Very high96.1Very high8 Ų821.4 Ų21.45%0.04810%0.101CC..EExtended strand (participates in β ladder)trans-83.2113.6-177.1-179.30000110.7V105 V107 V121 R124 C228V105-V128 HydrophobicContact CG2-CB 4.45Å; V105-V128 HydrophobicContact CG2-CG2 3.77Å; V105-V128 CarbonylContact O-C 3.59Å; V105-V128 WeakPolarHBondContact O-CA 3.24Å; V107-V128 HydrophobicContact CG1-CG1 4.28Å; V107-V128 HydrophobicContact CG1-CG2 4.4Å; V121-V128 HydrophobicContact CB-CG1 4.49Å; V121-V128 HydrophobicContact CG1-CG1 4.43Å; V121-V128 HydrophobicContact CG2-CG1 3.9Å; R124-V128 HydrophobicContact CB-CG2 4.46Å; R124-V128 WeakPolarHBondContact O-CG2 3.44Å; R124-V128 PolarHBondContact O-N 3.47Å; R124-V128 VanDerWaalsContact O-N 3.16Å; V128-C228 WeakPolarHBondContact O-CB 3.35Å
129L97.1Very high95Very high53 Ų5321.8 Ų21.828%0.27710%0.104SC..EExtended strand (participates in β ladder)trans-84.3-24.5-179.5-63.2177.9000113.4V29 Y104 V105 V106 I127 P229 L295 L297V29-L129 HydrophobicContact CG1-CD1 4.1Å; V29-L129 HydrophobicContact CG2-CD1 4.18Å; Y104-L129 HydrophobicContact CD1-CD2 3.73Å; Y104-L129 HydrophobicContact CD1-CG 4.15Å; Y104-L129 HydrophobicContact CE1-CD2 4.35Å; Y104-L129 HydrophobicContact CG-CD1 4.11Å; Y104-L129 HydrophobicContact CG-CD2 4.08Å; Y104-L129 HydrophobicContact CG-CG 4.16Å; V105-L129 PolarHBondContact O-N 2.76Å; V106-L129 HydrophobicContact CG2-CB 4.19Å; I127-L129 PolarHBondContact O-N 2.94Å; L129-P229 WeakPolarHBondContact O-CD 3.41Å; L129-L295 WeakPolarHBondContact O-CD2 3.47Å; L129-L297 HydrophobicContact CD1-CD1 4.26Å; L129-L297 HydrophobicContact CD1-CD2 4.23Å
130G97.9Very high93.3Very high0 Ų024.9 Ų24.90%012%0.124CC..EExtended strand (participates in β ladder)trans-177160.7-178.600000111.6V106 V107 P229V106-G130 WeakPolarHBondContact CA-O 3.34Å; V107-G130 PolarHBondContact N-O 3.39Å; G130-P229 CarbonylContact C-O 3.42Å; G130-P229 VanDerWaalsContact CA-O 3.29Å; G130-P229 WeakPolarHBondContact CA-O 3.46Å
131A98.6Very high91Very high0 Ų027.6 Ų27.60%015%0.146CC..EExtended strand (participates in β ladder)trans-130.1126.7-178.500000112.2V107 V121 L133 P229 V230 L231V107-A131 HydrophobicContact CG2-CB 3.43Å; V107-A131 VanDerWaalsContact CG2-CB 3.43Å; V121-A131 HydrophobicContact CG2-CB 3.83Å; A131-L133 HydrophobicContact CB-CD1 4.5Å; A131-L133 HydrophobicContact CB-CD2 4.27Å; A131-L133 HydrophobicContact CB-CG 4.15Å; A131-P229 PolarHBondContact N-O 3.31Å; A131-V230 HydrophobicContact CB-CG1 4.24Å; A131-V230 HydrophobicContact CB-CG2 4.35Å; A131-V230 CarbonylContact O-C 3.5Å; A131-V230 WeakPolarHBondContact O-CA 3.33Å; A131-L231 PolarHBondContact O-N 3.17Å
132V98.7Very high88.9Confident0 Ų028.4 Ų28.40%016%0.155CC..EExtended strand (participates in β ladder)trans-107.3110.2170.1-175.30000107.7V107 F108 G109 I134 L231 L233 L288 F291V107-V132 PolarHBondContact O-N 2.93Å; F108-V132 WeakPolarHBondContact CA-O 3.44Å; F108-V132 HydrophobicContact CB-CB 4.5Å; F108-V132 HydrophobicContact CD2-CB 3.74Å; F108-V132 HydrophobicContact CD2-CG1 3.66Å; F108-V132 HydrophobicContact CD2-CG2 4.32Å; F108-V132 HydrophobicContact CE2-CB 4.43Å; F108-V132 HydrophobicContact CE2-CG1 3.85Å; F108-V132 HydrophobicContact CG-CB 4.43Å; G109-V132 PolarHBondContact N-O 2.71Å; V132-I134 HydrophobicContact CG1-CG1 4.37Å; V132-L231 WeakPolarHBondContact CA-O 3.34Å; V132-L231 HydrophobicContact CG1-CD2 4.33Å; V132-L233 HydrophobicContact CG1-CD1 3.9Å; V132-L288 HydrophobicContact CG2-CD1 3.91Å; V132-F291 HydrophobicContact CG2-CD1 3.55Å; V132-F291 HydrophobicContact CG2-CE1 3.62Å; V132-F291 HydrophobicContact CG2-CG 4.38Å
133L98.6Very high86.6Confident0 Ų031.3 Ų31.30%017%0.17CC..EExtended strand (participates in β ladder)trans-117.4101.6-169.3-60.3-177.6000109.8A114 V118 A131 C136 V230 L231 F232 L233A114-L133 HydrophobicContact CB-CD2 4.25Å; V118-L133 HydrophobicContact CB-CD1 4.03Å; V118-L133 HydrophobicContact CB-CD2 4.29Å; V118-L133 HydrophobicContact CG2-CD1 3.92Å; A131-L133 HydrophobicContact CB-CD1 4.5Å; A131-L133 HydrophobicContact CB-CD2 4.27Å; A131-L133 HydrophobicContact CB-CG 4.15Å; L133-C136 HydrophobicContact CB-CB 3.76Å; L133-V230 HydrophobicContact CD1-CG1 3.71Å; L133-V230 HydrophobicContact CG-CG1 4.14Å; L133-L231 PolarHBondContact N-O 3.38Å; L133-F232 HydrophobicContact CB-CD1 3.99Å; L133-F232 HydrophobicContact CB-CE1 4.14Å; L133-F232 HydrophobicContact CD1-CD1 4.35Å; L133-F232 HydrophobicContact CD1-CE1 3.69Å; L133-F232 HydrophobicContact CD1-CZ 3.94Å; L133-F232 WeakPolarHBondContact O-CA 3.43Å; L133-L233 PolarHBondContact O-N 2.98Å
134I98.2Very high84.3Confident0 Ų030.8 Ų30.80%017%0.172CC..EExtended strand (participates in β ladder)trans-95126.4-176.5-49.4-176.5000109.2F108 G109 E110 G111 V132 C136 L233 V276 L277 V284F108-I134 HydrophobicContact CE1-CD1 3.91Å; F108-I134 HydrophobicContact CE2-CD1 4.03Å; F108-I134 HydrophobicContact CZ-CD1 3.51Å; G109-I134 WeakPolarHBondContact O-CB 3.1Å; G109-I134 PolarHBondContact O-N 3.38Å; E110-I134 CarbonylContact C-O 3.54Å; E110-I134 WeakPolarHBondContact CA-O 3.22Å; E110-I134 HydrophobicContact CB-CB 4.28Å; E110-I134 HydrophobicContact CG-CB 4.25Å; E110-I134 HydrophobicContact CG-CG2 4.19Å; G111-I134 PolarHBondContact N-O 3.12Å; V132-I134 HydrophobicContact CG1-CG1 4.37Å; I134-C136 PolarHBondContact O-N 3.05Å; I134-L233 CarbonylContact C-O 3.59Å; I134-L233 WeakPolarHBondContact CA-O 3.38Å; I134-L233 HydrophobicContact CD1-CD1 4.33Å; I134-L233 HydrophobicContact CG1-CB 4.15Å; I134-L233 HydrophobicContact CG1-CD1 4.09Å; I134-L233 HydrophobicContact CG2-CB 4.32Å; I134-V276 HydrophobicContact CG2-CG2 3.38Å; I134-L277 HydrophobicContact CD1-CD1 4.05Å; I134-L277 HydrophobicContact CD1-CD2 3.56Å; I134-L277 HydrophobicContact CD1-CG 3.81Å; I134-V284 HydrophobicContact CD1-CG1 4.29Å
135H95.5Very high82Confident19 Ų1935.5 Ų35.59%0.08820%0.196CC..SBendtrans50.529.7-178.5-53.9-59.7000114E110 T137 L233 T234 G235 A274 V276E110-H135 IonicContact OE1-CD2 2.94Å; H135-T137 PolarHBondContact O-N 3.38Å; H135-L233 PolarHBondContact N-O 3.1Å; H135-T234 PolarHBondContact ND1-OG1 2.58Å; H135-G235 PolarHBondContact CE1-N 3.38Å; H135-G235 VanDerWaalsContact CE1-N 3.28Å; H135-A274 PolarHBondContact CE1-O 3.21Å; H135-A274 PolarHBondContact NE2-O 2.86Å; H135-V276 PolarHBondContact NE2-N 2.86Å
136C95.7Very high79.7Confident0 Ų035.2 Ų35.20%020%0.203CC..  trans-74.1125.8-173.1-172.80000112.1A114 L133 I134 V244 L247A114-C136 HydrophobicContact CB-CB 3.55Å; L133-C136 HydrophobicContact CB-CB 3.76Å; I134-C136 PolarHBondContact O-N 3.05Å; C136-V244 WeakPolarHBondContact O-CG2 3.46Å; C136-L247 HydrophobicContact CB-CD2 4.34Å
137T88.3Confident77.6Confident7 Ų732 Ų324%0.04319%0.186CC..  trans-108.5130.5-18060.50000111.7N115 H135 R216 H240 T243N115-T137 PolarHBondContact ND2-O 2.77Å; H135-T137 PolarHBondContact O-N 3.38Å; T137-R216 PolarHBondContact OG1-NH2 2.87Å; T137-H240 HydrophobicContact CG2-CB 3.56Å; T137-T243 HydrophobicContact CG2-CG2 3.84Å
138G78.5Confident75.5Confident1 Ų136.7 Ų36.71%0.0120%0.203CC..  trans-95.4-14.5179.700000115.2I219 L220G138-I219 PolarHBondContact O-N 3.48Å; G138-L220 VanDerWaalsContact C-CD1 3.43Å; G138-L220 WeakPolarHBondContact O-CD1 3.03Å
139T75.6Confident73.5Confident10 Ų1040.4 Ų40.46%0.06122%0.223CC..SBendtrans-113.2160.6-178.357.70000112.2A141 R216 L220 T243 R246T139-A141 PolarHBondContact OG1-O 3.28Å; T139-R216 PolarHBondContact O-NH2 3Å; T139-L220 HydrophobicContact CG2-CD1 3.66Å; T139-L220 HydrophobicContact CG2-CD2 3.82Å; T139-L220 HydrophobicContact CG2-CG 4.38Å; T139-T243 WeakPolarHBondContact OG1-CG2 3.2Å; T139-R246 PolarHBondContact OG1-NH1 3.3Å; T139-R246 VanDerWaalsContact OG1-NH1 3.16Å
140T62.3Low71.5Confident71 Ų7146.8 Ų46.844%0.43624%0.243SC..SBendtrans-76.5-25172.550.90000112.8R216T140-R216 HydrophobicContact CG2-CG 4.43Å; T140-R216 VanDerWaalsContact CG2-O 3.3Å; T140-R216 WeakPolarHBondContact CG2-O 3.43Å
141A50Low69.3Low57 Ų5747 Ų4747%0.47124%0.244SC..  trans-79122.4175.800000109.7T139 T243T139-A141 PolarHBondContact OG1-O 3.28Å; A141-T243 PolarHBondContact O-OG1 3.48Å
142G53.8Low67.1Low18 Ų1851 Ų5119%0.18627%0.265CS..SBendtrans-152.4-63.6-17400000114.4H240 H242G142-H240 VanDerWaalsContact C-CD2 3.49Å; G142-H242 PolarHBondContact O-CE1 2.68Å
143L49.2Very low64.9Low76 Ų7653.1 Ų53.140%0.39829%0.287SS..SBendtrans-157.866.3178.4-155.352.5000115M171 S239L143-M171 HydrophobicContact CD2-CE 3.91Å; L143-M171 HydrophobicContact CD2-CG 4.31Å; L143-M171 HydrophobicContact CD2-SD 3.24Å; L143-M171 WeakPolarHBondContact CD2-SD 3.43Å; L143-M171 HydrophobicContact CG-CE 4.07Å; L143-M171 HydrophobicContact CG-SD 4.03Å; L143-S239 WeakPolarHBondContact CD2-OG 3.4Å
144S48.9Very low63Low61 Ų6154 Ų5443%0.42729%0.29SS..  trans102.6114.7159.780.70000118N146 L147 R148S144-N146 PolarHBondContact O-N 3.39Å; S144-L147 PolarHBondContact O-N 3.15Å; S144-L147 WeakPolarHBondContact OG-CB 3.49Å; S144-L147 PolarHBondContact OG-N 3.43Å; S144-L147 VanDerWaalsContact OG-N 3.08Å; S144-R148 PolarHBondContact O-N 3.08Å; S144-R148 VanDerWaalsContact O-N 3.14Å
145E50.2Low60.8Low135 Ų13561 Ų6163%0.63132%0.32SS*.Hα-helixtrans-53.7-33.3158.3-64.3-167.6131.400111L147 R148 D149E145-L147 PolarHBondContact O-N 2.91Å; E145-R148 WeakPolarHBondContact O-CB 3.48Å; E145-R148 PolarHBondContact O-N 2.88Å; E145-R148 VanDerWaalsContact O-N 3.16Å; E145-R148 IonicContact OE1-NH1 3.63Å; E145-D149 VanDerWaalsContact O-CG 3.31Å; E145-D149 PolarHBondContact O-N 3.14Å
146N47.5Very low58.5Low124 Ų12466.2 Ų66.266%0.66335%0.348SS*.Hα-helixtrans-58.5-31.1174.6-61.9-14.8000113.4S144S144-N146 PolarHBondContact O-N 3.39Å
147L50.5Low56.4Low20 Ų2073.8 Ų73.811%0.10539%0.389CS..Hα-helixtrans-89.8-30.4177.2-173.864.7000112.4S144 E145 D149 R150 L151 Y168 M171S144-L147 PolarHBondContact O-N 3.15Å; S144-L147 WeakPolarHBondContact OG-CB 3.49Å; S144-L147 PolarHBondContact OG-N 3.43Å; S144-L147 VanDerWaalsContact OG-N 3.08Å; E145-L147 PolarHBondContact O-N 2.91Å; L147-D149 PolarHBondContact O-N 3.07Å; L147-R150 HydrophobicContact CD1-CB 4.18Å; L147-R150 PolarHBondContact O-N 2.93Å; L147-R150 VanDerWaalsContact O-N 3.1Å; L147-L151 HydrophobicContact CG-CD1 4.33Å; L147-L151 PolarHBondContact O-N 2.9Å; L147-Y168 HydrophobicContact CD2-CD2 3.12Å; L147-Y168 HydrophobicContact CD2-CE2 3.68Å; L147-Y168 HydrophobicContact CD2-CG 3.84Å; L147-Y168 HydrophobicContact CG-CD2 4.14Å; L147-Y168 HydrophobicContact CG-CG 4.48Å; L147-M171 HydrophobicContact CD2-CE 3.62Å
148R53.1Low54.7Low111 Ų11177.7 Ų77.742%0.41941%0.413SS..Hα-helixtrans-52.7-43.8165.1-177.6-166.570.5-168.1-4.6109.6S144 E145 R150 L151 I152 M214S144-R148 PolarHBondContact O-N 3.08Å; S144-R148 VanDerWaalsContact O-N 3.14Å; E145-R148 WeakPolarHBondContact O-CB 3.48Å; E145-R148 PolarHBondContact O-N 2.88Å; E145-R148 VanDerWaalsContact O-N 3.16Å; E145-R148 IonicContact OE1-NH1 3.63Å; R148-R150 VanDerWaalsContact C-N 3.35Å; R148-R150 PolarHBondContact O-N 3.12Å; R148-L151 PolarHBondContact O-N 3.3Å; R148-I152 HydrophobicContact CG-CD1 3.69Å; R148-I152 HydrophobicContact CG-CG1 4.26Å; R148-I152 WeakPolarHBondContact O-CB 3.38Å; R148-I152 WeakPolarHBondContact O-CG1 3.46Å; R148-I152 PolarHBondContact O-N 3.08Å; R148-M214 HydrophobicContact CB-CE 3.86Å; R148-M214 HydrophobicContact CG-CE 3.71Å
149D55.6Low53.8Low86 Ų8683.9 Ų83.946%0.4645%0.45SS..Hα-helixtrans-67.5-34.5179.6-61.7-15.8000112.2E145 L147 G153E145-D149 VanDerWaalsContact O-CG 3.31Å; E145-D149 PolarHBondContact O-N 3.14Å; L147-D149 PolarHBondContact O-N 3.07Å; D149-G153 PolarHBondContact O-N 2.85Å
150R54.8Low53.5Low186 Ų18684.9 Ų84.970%0.70246%0.462SS*.Hα-helixtrans-69.6-40173.2-68.4179.1-178.7-166.80.6113.2L147 R148 G153 W154L147-R150 HydrophobicContact CD1-CB 4.18Å; L147-R150 PolarHBondContact O-N 2.93Å; L147-R150 VanDerWaalsContact O-N 3.1Å; R148-R150 VanDerWaalsContact C-N 3.35Å; R148-R150 PolarHBondContact O-N 3.12Å; R150-G153 WeakPolarHBondContact O-CA 3.44Å; R150-G153 PolarHBondContact O-N 3.06Å; R150-W154 PolarHBondContact O-N 3.05Å
151L52.6Low54.2Low6 Ų683.1 Ų83.13%0.03145%0.45CS..Hα-helixtrans-74.9-29.7175.6-73.6169.7000112.3L147 R148 G153 W154 Y168 I210 M211 M214L147-L151 HydrophobicContact CG-CD1 4.33Å; L147-L151 PolarHBondContact O-N 2.9Å; R148-L151 PolarHBondContact O-N 3.3Å; L151-G153 VanDerWaalsContact C-N 3.26Å; L151-W154 HydrophobicContact CD2-CE3 3.94Å; L151-W154 HydrophobicContact CD2-CZ3 4.3Å; L151-W154 WeakPolarHBondContact O-CA 3.27Å; L151-W154 VanDerWaalsContact O-CB 3.23Å; L151-W154 WeakPolarHBondContact O-CB 3.42Å; L151-W154 PolarHBondContact O-N 2.82Å; L151-W154 VanDerWaalsContact O-N 3.08Å; L151-Y168 HydrophobicContact CD1-CD1 3.81Å; L151-Y168 HydrophobicContact CD1-CE1 3.81Å; L151-Y168 HydrophobicContact CD1-CG 4.22Å; L151-Y168 HydrophobicContact CD2-CD1 4.23Å; L151-I210 HydrophobicContact CD1-CG2 4.39Å; L151-M211 HydrophobicContact CB-CE 4.36Å; L151-M214 HydrophobicContact CD1-CE 4.17Å; L151-M214 HydrophobicContact CD1-SD 3.9Å
152I52.5Low55.6Low83 Ų8382.4 Ų82.443%0.42644%0.438SS..Hα-helixtrans-64.9-37.5166.2-71.4168.3000109.2R148 W154 K155R148-I152 HydrophobicContact CG-CD1 3.69Å; R148-I152 HydrophobicContact CG-CG1 4.26Å; R148-I152 WeakPolarHBondContact O-CB 3.38Å; R148-I152 WeakPolarHBondContact O-CG1 3.46Å; R148-I152 PolarHBondContact O-N 3.08Å; I152-W154 PolarHBondContact O-N 2.66Å; I152-K155 VanDerWaalsContact O-CB 3.28Å; I152-K155 WeakPolarHBondContact O-CB 3.37Å; I152-K155 PolarHBondContact O-N 3.31Å
153G51.8Low56.8Low45 Ų4586.4 Ų86.446%0.46446%0.46SS..Hα-helixtrans-58.5-27.316900000113.9D149 R150 L151 K155D149-G153 PolarHBondContact O-N 2.85Å; R150-G153 WeakPolarHBondContact O-CA 3.44Å; R150-G153 PolarHBondContact O-N 3.06Å; L151-G153 VanDerWaalsContact C-N 3.26Å; G153-K155 VanDerWaalsContact C-N 3.28Å; G153-K155 PolarHBondContact O-N 3.38Å
154W59.7Low58.1Low17 Ų1785.4 Ų85.46%0.06446%0.463CS..THydrogen-bonded Turntrans-72.9-11.1174.1173.755.4000114.3R150 L151 I152 L156 N207 I210 M211R150-W154 PolarHBondContact O-N 3.05Å; L151-W154 HydrophobicContact CD2-CE3 3.94Å; L151-W154 HydrophobicContact CD2-CZ3 4.3Å; L151-W154 WeakPolarHBondContact O-CA 3.27Å; L151-W154 VanDerWaalsContact O-CB 3.23Å; L151-W154 WeakPolarHBondContact O-CB 3.42Å; L151-W154 PolarHBondContact O-N 2.82Å; L151-W154 VanDerWaalsContact O-N 3.08Å; I152-W154 PolarHBondContact O-N 2.66Å; W154-L156 PolarHBondContact O-N 3.24Å; W154-N207 HydrophobicContact CE3-CB 4.23Å; W154-N207 VanDerWaalsContact CE3-CG 3.41Å; W154-N207 HydrophobicContact CH2-CB 3.06Å; W154-N207 WeakPolarHBondContact CH2-OD1 3.16Å; W154-N207 HydrophobicContact CZ2-CB 3.35Å; W154-N207 VanDerWaalsContact CZ3-CA 3.48Å; W154-N207 HydrophobicContact CZ3-CB 3.52Å; W154-N207 WeakPolarHBondContact CZ3-OD1 3.47Å; W154-I210 HydrophobicContact CH2-CD1 3.97Å; W154-I210 HydrophobicContact CZ3-CB 4.4Å; W154-I210 HydrophobicContact CZ3-CD1 3.96Å; W154-I210 HydrophobicContact CZ3-CG2 4.46Å; W154-M211 HydrophobicContact CE3-CE 3.82Å; W154-M211 HydrophobicContact CZ3-CE 4.15Å
155K50.9Low59.5Low147 Ų14782.5 Ų82.564%0.63944%0.443SS*.THydrogen-bonded Turntrans-55.3-11.5172.5-91.7-173.1167.2-177.80114.4I152 G153 N157I152-K155 VanDerWaalsContact O-CB 3.28Å; I152-K155 WeakPolarHBondContact O-CB 3.37Å; I152-K155 PolarHBondContact O-N 3.31Å; G153-K155 VanDerWaalsContact C-N 3.28Å; G153-K155 PolarHBondContact O-N 3.38Å; K155-N157 PolarHBondContact O-N 3.28Å; K155-N157 VanDerWaalsContact O-N 3.14Å
156L46.9Very low61.1Low130 Ų13076.9 Ų76.968%0.68142%0.417SS*.SBendtrans-86.570.3177.1-74.5107.1000112.9W154 T158W154-L156 PolarHBondContact O-N 3.24Å; L156-T158 PolarHBondContact O-N 3.42Å; L156-T158 PolarHBondContact O-OG1 3.02Å
157N52.4Low62.8Low158 Ų15874.5 Ų74.585%0.84541%0.41SS*.  trans40.828.3148.4-70.4-23.8000118.6K155K155-N157 PolarHBondContact O-N 3.28Å; K155-N157 VanDerWaalsContact O-N 3.14Å
158T52.1Low64.3Low90 Ų9074.6 Ų74.655%0.55241%0.409SS*.  trans-86.7137.3-168.1-210000110.5L156 G160L156-T158 PolarHBondContact O-N 3.42Å; L156-T158 PolarHBondContact O-OG1 3.02Å; T158-G160 PolarHBondContact O-N 3.37Å
159V60.2Low65.9Low130 Ų13069.3 Ų69.379%0.78839%0.389SS*.SBendtrans-64.6113.5-178.6179.40000109.6
160G68.6Low67.5Low31 Ų3165.4 Ų65.432%0.3237%0.368SS..SBendtrans97.7175.5169.400000116.3T158 N162T158-G160 PolarHBondContact O-N 3.37Å; G160-N162 PolarHBondContact O-N 3.34Å
161M77.5Confident68.9Low35 Ų3559 Ų5917%0.17235%0.346CS..  trans-68.3115.6171.3-176.660.767.300108.9A165 E166 L169 L197 P203 L206M161-A165 HydrophobicContact SD-CB 3.94Å; M161-E166 HydrophobicContact CG-CB 4.2Å; M161-L169 HydrophobicContact CE-CD1 4.27Å; M161-L169 HydrophobicContact SD-CD1 4.4Å; M161-L197 HydrophobicContact CE-CB 4.05Å; M161-L197 HydrophobicContact CE-CD2 4.12Å; M161-L197 WeakPolarHBondContact CE-O 3.36Å; M161-P203 HydrophobicContact CE-CB 4.36Å; M161-L206 HydrophobicContact CE-CD2 3.83Å
162N78.5Confident70.5Confident42 Ų4259.4 Ų59.423%0.22535%0.349CS..  trans-84.2153.4176.473.28.2000110.5G160 A164 A165 E166G160-N162 PolarHBondContact O-N 3.34Å; N162-A164 PolarHBondContact O-N 3.03Å; N162-A165 PolarHBondContact O-N 3Å; N162-A165 WeakPolarHBondContact OD1-CA 3.46Å; N162-A165 WeakPolarHBondContact OD1-CB 3.46Å; N162-A165 PolarHBondContact OD1-N 3.34Å; N162-E166 PolarHBondContact O-N 2.93Å
163P79.2Confident72.2Confident101 Ų10156.4 Ų56.466%0.65633%0.332SS*.Hα-helixtrans-58.5-31.6-179.9-27.235.4000113.6E166 S167P163-E166 PolarHBondContact O-N 2.74Å; P163-S167 WeakPolarHBondContact O-CB 3.39Å; P163-S167 PolarHBondContact O-N 2.91Å; P163-S167 PolarHBondContact O-OG 3.28Å
164A76.6Confident73.9Confident55 Ų5554.3 Ų54.346%0.45531%0.31SS..Hα-helixtrans-68.6-4118000000113.1N162 Y168N162-A164 PolarHBondContact O-N 3.03Å; A164-Y168 PolarHBondContact O-N 3.3Å
165A78.6Confident75Confident1 Ų153.7 Ų53.71%0.00831%0.308CS..Hα-helixtrans-71.1-39.3175.700000110.6M161 N162 Y168 L169M161-A165 HydrophobicContact SD-CB 3.94Å; N162-A165 PolarHBondContact O-N 3Å; N162-A165 WeakPolarHBondContact OD1-CA 3.46Å; N162-A165 WeakPolarHBondContact OD1-CB 3.46Å; N162-A165 PolarHBondContact OD1-N 3.34Å; A165-Y168 WeakPolarHBondContact O-CB 3.5Å; A165-Y168 PolarHBondContact O-N 3.42Å; A165-L169 WeakPolarHBondContact O-CG 3.44Å; A165-L169 PolarHBondContact O-N 3.09Å
166E83.8Confident76.1Confident16 Ų1651.2 Ų51.28%0.07531%0.31CS..Hα-helixtrans-58.1-51.3172.4-169.2-173.7141.100110.8M161 N162 P163 Y168 L169 L170 R194 L197 R198M161-E166 HydrophobicContact CG-CB 4.2Å; N162-E166 PolarHBondContact O-N 2.93Å; P163-E166 PolarHBondContact O-N 2.74Å; E166-Y168 VanDerWaalsContact C-N 3.29Å; E166-Y168 PolarHBondContact O-N 3.07Å; E166-L169 PolarHBondContact O-N 3.15Å; E166-L170 HydrophobicContact CG-CD1 3.96Å; E166-L170 WeakPolarHBondContact O-CB 3.38Å; E166-L170 WeakPolarHBondContact O-CD1 3.45Å; E166-L170 WeakPolarHBondContact O-CG 3.26Å; E166-L170 PolarHBondContact O-N 2.92Å; E166-R194 VanDerWaalsContact OE1-CD 3.29Å; E166-R194 WeakPolarHBondContact OE1-CD 3.37Å; E166-R194 WeakPolarHBondContact OE1-CG 3.47Å; E166-R194 IonicContact OE1-NE 3.79Å; E166-L197 HydrophobicContact CG-CD1 4.29Å; E166-R198 IonicContact OE1-CZ 3.52Å; E166-R198 IonicContact OE1-NE 3.61Å; E166-R198 IonicContact OE1-NH2 2.68Å; E166-R198 PolarHBondContact OE1-NH2 3.29Å; E166-R198 IonicContact OE2-CZ 3.56Å; E166-R198 VanDerWaalsContact OE2-CZ 3.27Å; E166-R198 IonicContact OE2-NE 3.71Å; E166-R198 PolarHBondContact OE2-NE 3.21Å; E166-R198 IonicContact OE2-NH2 2.81Å; E166-R198 PolarHBondContact OE2-NH2 2.85Å
167S82.6Confident77.1Confident74 Ų7445.5 Ų45.552%0.51728%0.281SS..Hα-helixtrans-58.4-39.1175.7-65.60000112.7P163 M171P163-S167 WeakPolarHBondContact O-CB 3.39Å; P163-S167 PolarHBondContact O-N 2.91Å; P163-S167 PolarHBondContact O-OG 3.28Å; S167-M171 WeakPolarHBondContact O-CB 3.43Å; S167-M171 PolarHBondContact O-N 3.13Å
168Y82.3Confident77.5Confident22 Ų2238.4 Ų38.49%0.08624%0.244CC..Hα-helixtrans-61.8-52.1174.5164.4-123.7000111.8L147 L151 A164 A165 E166 L170 M171 H172 I210L147-Y168 HydrophobicContact CD2-CD2 3.12Å; L147-Y168 HydrophobicContact CD2-CE2 3.68Å; L147-Y168 HydrophobicContact CD2-CG 3.84Å; L147-Y168 HydrophobicContact CG-CD2 4.14Å; L147-Y168 HydrophobicContact CG-CG 4.48Å; L151-Y168 HydrophobicContact CD1-CD1 3.81Å; L151-Y168 HydrophobicContact CD1-CE1 3.81Å; L151-Y168 HydrophobicContact CD1-CG 4.22Å; L151-Y168 HydrophobicContact CD2-CD1 4.23Å; A164-Y168 PolarHBondContact O-N 3.3Å; A165-Y168 WeakPolarHBondContact O-CB 3.5Å; A165-Y168 PolarHBondContact O-N 3.42Å; E166-Y168 VanDerWaalsContact C-N 3.29Å; E166-Y168 PolarHBondContact O-N 3.07Å; Y168-L170 VanDerWaalsContact C-N 3.26Å; Y168-L170 PolarHBondContact O-N 3.2Å; Y168-M171 HydrophobicContact CD2-CE 4.43Å; Y168-M171 PolarHBondContact O-N 3.28Å; Y168-H172 HydrophobicContact CD2-CB 4.28Å; Y168-H172 HydrophobicContact CE2-CB 3.96Å; Y168-H172 VanDerWaalsContact O-CB 3.25Å; Y168-H172 WeakPolarHBondContact O-CB 3.48Å; Y168-H172 PolarHBondContact O-N 3.25Å; Y168-I210 HydrophobicContact CE1-CD1 4.47Å; Y168-I210 HydrophobicContact CE1-CG2 4.38Å
169L87.9Confident78.1Confident0 Ų041.1 Ų41.10%026%0.256CS..Hα-helixtrans-63.1-36.7-176.8-70.3164.4000111.3L37 M161 A165 E166 H172 R173 F193 L197 L206 I210L37-L169 HydrophobicContact CB-CD2 3.92Å; M161-L169 HydrophobicContact CE-CD1 4.27Å; M161-L169 HydrophobicContact SD-CD1 4.4Å; A165-L169 WeakPolarHBondContact O-CG 3.44Å; A165-L169 PolarHBondContact O-N 3.09Å; E166-L169 PolarHBondContact O-N 3.15Å; L169-H172 PolarHBondContact O-N 3.23Å; L169-R173 WeakPolarHBondContact O-CB 3.46Å; L169-R173 PolarHBondContact O-N 3.2Å; L169-F193 HydrophobicContact CB-CE1 4.17Å; L169-F193 HydrophobicContact CB-CZ 4.32Å; L169-L197 HydrophobicContact CB-CD1 3.94Å; L169-L197 HydrophobicContact CD1-CD1 3.88Å; L169-L197 HydrophobicContact CD1-CD2 3.78Å; L169-L197 HydrophobicContact CD1-CG 4.49Å; L169-L206 HydrophobicContact CD1-CD2 3.62Å; L169-I210 HydrophobicContact CD2-CD1 4.21Å
170L87.8Confident78.3Confident5 Ų537.4 Ų37.43%0.02624%0.235CC..Hα-helixtrans-63.5-49.2173.8-70.3163.3000112E166 Y168 R173 F174 A178 L190 F193 R194E166-L170 HydrophobicContact CG-CD1 3.96Å; E166-L170 WeakPolarHBondContact O-CB 3.38Å; E166-L170 WeakPolarHBondContact O-CD1 3.45Å; E166-L170 WeakPolarHBondContact O-CG 3.26Å; E166-L170 PolarHBondContact O-N 2.92Å; Y168-L170 VanDerWaalsContact C-N 3.26Å; Y168-L170 PolarHBondContact O-N 3.2Å; L170-R173 PolarHBondContact O-N 2.84Å; L170-F174 HydrophobicContact CD2-CD2 4.24Å; L170-F174 HydrophobicContact CD2-CE2 4.36Å; L170-F174 WeakPolarHBondContact O-CB 3.44Å; L170-F174 PolarHBondContact O-N 3.15Å; L170-A178 HydrophobicContact CB-CB 4.21Å; L170-L190 HydrophobicContact CD2-CD2 3.72Å; L170-F193 HydrophobicContact CD2-CD1 3.75Å; L170-F193 HydrophobicContact CD2-CE1 4.28Å; L170-R194 HydrophobicContact CD1-CG 3.95Å; L170-R194 HydrophobicContact CD2-CG 3.77Å; L170-R194 HydrophobicContact CG-CG 4.36Å
171M85Confident77.8Confident50 Ų5041.3 Ų41.325%0.24625%0.245CC..Hα-helixtrans-66.2-38177.3171.6-86.2-9000111.7L143 L147 S167 Y168 R173 G175 S239L143-M171 HydrophobicContact CD2-CE 3.91Å; L143-M171 HydrophobicContact CD2-CG 4.31Å; L143-M171 HydrophobicContact CD2-SD 3.24Å; L143-M171 WeakPolarHBondContact CD2-SD 3.43Å; L143-M171 HydrophobicContact CG-CE 4.07Å; L143-M171 HydrophobicContact CG-SD 4.03Å; L147-M171 HydrophobicContact CD2-CE 3.62Å; S167-M171 WeakPolarHBondContact O-CB 3.43Å; S167-M171 PolarHBondContact O-N 3.13Å; Y168-M171 HydrophobicContact CD2-CE 4.43Å; Y168-M171 PolarHBondContact O-N 3.28Å; M171-R173 VanDerWaalsContact C-N 3.31Å; M171-R173 PolarHBondContact O-N 3.41Å; M171-G175 WeakPolarHBondContact O-CA 3.34Å; M171-G175 PolarHBondContact O-N 3.29Å; M171-S239 PolarHBondContact O-OG 3.27Å
172H85.6Confident77Confident16 Ų1646.6 Ų46.67%0.07427%0.274CS..Hα-helixtrans-59.8-44.1176.4169.484.6000111.1D36 Y168 L169 H240D36-H172 IonicContact OD1-NE2 3.84Å; D36-H172 PolarHBondContact OD1-NE2 2.65Å; D36-H172 IonicContact OD2-CD2 3.96Å; D36-H172 IonicContact OD2-CE1 2.93Å; D36-H172 IonicContact OD2-NE2 3.84Å; D36-H172 PolarHBondContact OD2-NE2 2.97Å; Y168-H172 HydrophobicContact CD2-CB 4.28Å; Y168-H172 HydrophobicContact CE2-CB 3.96Å; Y168-H172 VanDerWaalsContact O-CB 3.25Å; Y168-H172 WeakPolarHBondContact O-CB 3.48Å; Y168-H172 PolarHBondContact O-N 3.25Å; L169-H172 PolarHBondContact O-N 3.23Å; H172-H240 AromaticContact CE1-CE1 3.95Å; H172-H240 AromaticContact ND1-CE1 3.27Å; H172-H240 PolarHBondContact ND1-CE1 3.12Å; H172-H240 VanDerWaalsContact ND1-CE1 3.27Å; H172-H240 AromaticContact ND1-ND1 3.79Å
173R88.1Confident76.4Confident20 Ų2050.3 Ų50.38%0.07529%0.29CS..Hα-helixtrans-85.2-43.5-173.8-174176-179.984.95.1114.1C39 E43 L169 L170 M171 F193C39-R173 PolarHBondContact SG-NH1 3.24Å; E43-R173 IonicContact OE1-CZ 2.83Å; E43-R173 IonicContact OE1-NH1 3.57Å; E43-R173 PolarHBondContact OE1-NH1 3.03Å; E43-R173 IonicContact OE1-NH2 3.97Å; E43-R173 PolarHBondContact OE1-NH2 3.08Å; L169-R173 WeakPolarHBondContact O-CB 3.46Å; L169-R173 PolarHBondContact O-N 3.2Å; L170-R173 PolarHBondContact O-N 2.84Å; M171-R173 VanDerWaalsContact C-N 3.31Å; M171-R173 PolarHBondContact O-N 3.41Å; R173-F193 HydrophobicContact CB-CE1 4.48Å
174F88.1Confident76Confident1 Ų149.6 Ų49.60%0.00428%0.284CS..Hα-helixtrans-113.45.5-172.1-57.9-73.1000113.5L170 A177 A178 V189 L190 F193 A274 N275L170-F174 HydrophobicContact CD2-CD2 4.24Å; L170-F174 HydrophobicContact CD2-CE2 4.36Å; L170-F174 WeakPolarHBondContact O-CB 3.44Å; L170-F174 PolarHBondContact O-N 3.15Å; F174-A177 WeakPolarHBondContact O-CA 3.45Å; F174-A177 WeakPolarHBondContact O-CB 3.42Å; F174-A177 PolarHBondContact O-N 2.96Å; F174-A178 HydrophobicContact CB-CB 4.41Å; F174-V189 HydrophobicContact CE1-CG1 3.57Å; F174-V189 HydrophobicContact CZ-CG1 3.62Å; F174-L190 HydrophobicContact CB-CD2 4.07Å; F174-L190 HydrophobicContact CD1-CD2 4.42Å; F174-L190 HydrophobicContact CD2-CD2 3.29Å; F174-L190 HydrophobicContact CD2-CG 4.31Å; F174-L190 HydrophobicContact CE2-CD2 3.72Å; F174-L190 HydrophobicContact CE2-CG 4.48Å; F174-L190 HydrophobicContact CG-CD2 3.68Å; F174-L190 HydrophobicContact CG-CG 4.45Å; F174-L190 HydrophobicContact CZ-CD2 4.46Å; F174-F193 HydrophobicContact CD2-CD1 4.49Å; F174-F193 HydrophobicContact CE2-CB 4.02Å; F174-F193 AromaticContact CE2-CD1 3.64Å; F174-F193 HydrophobicContact CE2-CD1 3.64Å; F174-F193 HydrophobicContact CE2-CE1 4.28Å; F174-F193 AromaticContact CE2-CG 3.92Å; F174-F193 HydrophobicContact CE2-CG 3.92Å; F174-F193 HydrophobicContact CZ-CB 4.23Å; F174-F193 HydrophobicContact CZ-CG 4.37Å; F174-A274 WeakPolarHBondContact O-CB 3.3Å; F174-N275 HydrophobicContact CD1-CB 3.98Å; F174-N275 HydrophobicContact CE1-CB 4.08Å
175G83.2Confident75.8Confident3 Ų354.3 Ų54.33%0.03130%0.296CS..G310 helixtrans57.1-143177.700000113.2M171 A177 A178 S239M171-G175 WeakPolarHBondContact O-CA 3.34Å; M171-G175 PolarHBondContact O-N 3.29Å; G175-A177 PolarHBondContact O-N 3.03Å; G175-A178 WeakPolarHBondContact O-CB 3.5Å; G175-A178 PolarHBondContact O-N 3.28Å; G175-S239 VanDerWaalsContact CA-OG 3.32Å; G175-S239 WeakPolarHBondContact CA-OG 3.22Å
176S73.7Confident75.8Confident96 Ų9654.7 Ų54.767%0.67130%0.299SS*.G310 helixtrans-68.4-15174-60.60000113.2A178 D179S176-A178 PolarHBondContact O-N 3.25Å; S176-D179 PolarHBondContact O-N 3.06Å
177A67Low75.8Confident9 Ų959 Ų597%0.07431%0.314CS..G310 helixtrans-66.5-17.1176.100000112.4F174 G175 D179 S180 V186 A274F174-A177 WeakPolarHBondContact O-CA 3.45Å; F174-A177 WeakPolarHBondContact O-CB 3.42Å; F174-A177 PolarHBondContact O-N 2.96Å; G175-A177 PolarHBondContact O-N 3.03Å; A177-D179 PolarHBondContact O-N 3.27Å; A177-S180 WeakPolarHBondContact CA-OG 3.16Å; A177-S180 PolarHBondContact O-N 3.08Å; A177-S180 PolarHBondContact O-OG 2.94Å; A177-V186 HydrophobicContact CB-CG1 4.43Å; A177-A274 HydrophobicContact CB-CB 4.29Å
178A61.2Low76Confident9 Ų960.6 Ų60.67%0.07431%0.314CS..G310 helixtrans-62.1-24.5171.100000113.5L170 F174 G175 S176L170-A178 HydrophobicContact CB-CB 4.21Å; F174-A178 HydrophobicContact CB-CB 4.41Å; G175-A178 WeakPolarHBondContact O-CB 3.5Å; G175-A178 PolarHBondContact O-N 3.28Å; S176-A178 PolarHBondContact O-N 3.25Å
179D65.7Low76.2Confident148 Ų14861.4 Ų61.479%0.79132%0.321SS*.THydrogen-bonded Turntrans-95.8-26.4178.9-65.1-30.6000112.4S176 A177 E181S176-D179 PolarHBondContact O-N 3.06Å; A177-D179 PolarHBondContact O-N 3.27Å; D179-E181 PolarHBondContact O-N 2.97Å
180S63.1Low76.2Confident51 Ų5161.5 Ų61.536%0.35732%0.321SS..  trans-90.392.6177.662.10000110.8A177 D182A177-S180 WeakPolarHBondContact CA-OG 3.16Å; A177-S180 PolarHBondContact O-N 3.08Å; A177-S180 PolarHBondContact O-OG 2.94Å; S180-D182 PolarHBondContact O-N 3.48Å; S180-D182 VanDerWaalsContact O-N 3.09Å
181E59.3Low76.4Confident113 Ų11365.6 Ų65.653%0.52834%0.342SS..THydrogen-bonded Turntrans-7515174.4-60.8-169.7161.500113.7D179 E183D179-E181 PolarHBondContact O-N 2.97Å; E181-E183 PolarHBondContact O-N 3.04Å
182D59.9Low76.7Confident147 Ų14769.8 Ų69.879%0.78636%0.359SS*.THydrogen-bonded Turntrans-73.8-28.1-167.8-66.5-35.8000113.3S180S180-D182 PolarHBondContact O-N 3.48Å; S180-D182 VanDerWaalsContact O-N 3.09Å
183E66.5Low77Confident120 Ų12069.8 Ų69.856%0.56136%0.359SS*.  trans-96.4123.1177.6-70.1-172.2-177.100112.2E181 E185 V186 R187E181-E183 PolarHBondContact O-N 3.04Å; E183-E185 VanDerWaalsContact C-N 3.33Å; E183-E185 PolarHBondContact O-N 3.35Å; E183-V186 HydrophobicContact CB-CB 4.11Å; E183-V186 HydrophobicContact CB-CG2 3.84Å; E183-V186 PolarHBondContact O-N 3.01Å; E183-V186 WeakPolarHBondContact OE2-CG2 3.34Å; E183-R187 WeakPolarHBondContact O-CB 3.33Å; E183-R187 PolarHBondContact O-N 3.49Å
184V70.8Confident77.2Confident85 Ų8571.7 Ų71.752%0.51537%0.366SS..Hα-helixtrans-60.2-41.7-175.2178.10000112R187 E188V184-R187 WeakPolarHBondContact O-CB 3.46Å; V184-R187 PolarHBondContact O-N 2.81Å; V184-E188 PolarHBondContact O-N 3.05Å; V184-E188 VanDerWaalsContact O-N 3.12Å
185E72.6Confident77.4Confident154 Ų15477.3 Ų77.372%0.7239%0.392SS*.Hα-helixtrans-67.9-47.7-178.1-65.9179.8-177.900111.5E183 R187 E188 V189E183-E185 VanDerWaalsContact C-N 3.33Å; E183-E185 PolarHBondContact O-N 3.35Å; E185-R187 PolarHBondContact O-N 3Å; E185-E188 PolarHBondContact O-N 3.05Å; E185-E188 VanDerWaalsContact O-N 3.17Å; E185-V189 WeakPolarHBondContact O-CG2 3.22Å; E185-V189 PolarHBondContact O-N 3.22Å; E185-V189 VanDerWaalsContact O-N 3.16Å
186V78.1Confident77.8Confident10 Ų1078.8 Ų78.86%0.06140%0.402CS..Hα-helixtrans-57.6-40.6174.8-178.60000110.6A177 E183 E188 V189 L190 E279A177-V186 HydrophobicContact CB-CG1 4.43Å; E183-V186 HydrophobicContact CB-CB 4.11Å; E183-V186 HydrophobicContact CB-CG2 3.84Å; E183-V186 PolarHBondContact O-N 3.01Å; E183-V186 WeakPolarHBondContact OE2-CG2 3.34Å; V186-E188 PolarHBondContact O-N 3.21Å; V186-V189 PolarHBondContact O-N 3.36Å; V186-L190 HydrophobicContact CG1-CD1 3.88Å; V186-L190 HydrophobicContact CG1-CG 4.37Å; V186-L190 WeakPolarHBondContact O-CB 3.22Å; V186-L190 WeakPolarHBondContact O-CG 3.4Å; V186-L190 PolarHBondContact O-N 3.29Å; V186-E279 HydrophobicContact CG2-CG 4.28Å
187R82.8Confident78.7Confident107 Ų10774.2 Ų74.240%0.40437%0.37SS..Hα-helixtrans-62.4-42.4177.6-173.5178.965.4-179.6-2112.8E183 V184 E185 L190 I191E183-R187 WeakPolarHBondContact O-CB 3.33Å; E183-R187 PolarHBondContact O-N 3.49Å; V184-R187 WeakPolarHBondContact O-CB 3.46Å; V184-R187 PolarHBondContact O-N 2.81Å; E185-R187 PolarHBondContact O-N 3Å; R187-L190 PolarHBondContact O-N 3.24Å; R187-I191 HydrophobicContact CG-CD1 4.01Å; R187-I191 VanDerWaalsContact O-CG1 3.26Å; R187-I191 WeakPolarHBondContact O-CG1 3.4Å; R187-I191 PolarHBondContact O-N 3.45Å
188E86.7Confident79.8Confident107 Ų10781.2 Ų81.250%0.540%0.395SS..Hα-helixtrans-64.5-41.6177.2-72.6-171.4-178.900112.1V184 E185 V186 I191 K192V184-E188 PolarHBondContact O-N 3.05Å; V184-E188 VanDerWaalsContact O-N 3.12Å; E185-E188 PolarHBondContact O-N 3.05Å; E185-E188 VanDerWaalsContact O-N 3.17Å; V186-E188 PolarHBondContact O-N 3.21Å; E188-I191 PolarHBondContact O-N 3.22Å; E188-K192 WeakPolarHBondContact O-CG 3.42Å; E188-K192 PolarHBondContact O-N 3.43Å
189V87.1Confident81.2Confident39 Ų3985.9 Ų85.924%0.23642%0.422CS..Hα-helixtrans-61.6-46.4175174.20000110.6F174 E185 V186 I191 K192 F193F174-V189 HydrophobicContact CE1-CG1 3.57Å; F174-V189 HydrophobicContact CZ-CG1 3.62Å; E185-V189 WeakPolarHBondContact O-CG2 3.22Å; E185-V189 PolarHBondContact O-N 3.22Å; E185-V189 VanDerWaalsContact O-N 3.16Å; V186-V189 PolarHBondContact O-N 3.36Å; V189-I191 PolarHBondContact O-N 3.36Å; V189-K192 PolarHBondContact O-N 3.26Å; V189-F193 WeakPolarHBondContact O-CB 3.34Å; V189-F193 PolarHBondContact O-N 2.92Å
190L88.5Confident82.6Confident2 Ų279.7 Ų79.71%0.0139%0.392CS..Hα-helixtrans-58.8-45.6176.7-79.5165.1000112.1L170 F174 V186 R187 F193 R194L170-L190 HydrophobicContact CD2-CD2 3.72Å; F174-L190 HydrophobicContact CB-CD2 4.07Å; F174-L190 HydrophobicContact CD1-CD2 4.42Å; F174-L190 HydrophobicContact CD2-CD2 3.29Å; F174-L190 HydrophobicContact CD2-CG 4.31Å; F174-L190 HydrophobicContact CE2-CD2 3.72Å; F174-L190 HydrophobicContact CE2-CG 4.48Å; F174-L190 HydrophobicContact CG-CD2 3.68Å; F174-L190 HydrophobicContact CG-CG 4.45Å; F174-L190 HydrophobicContact CZ-CD2 4.46Å; V186-L190 HydrophobicContact CG1-CD1 3.88Å; V186-L190 HydrophobicContact CG1-CG 4.37Å; V186-L190 WeakPolarHBondContact O-CB 3.22Å; V186-L190 WeakPolarHBondContact O-CG 3.4Å; V186-L190 PolarHBondContact O-N 3.29Å; R187-L190 PolarHBondContact O-N 3.24Å; L190-F193 PolarHBondContact O-N 2.98Å; L190-R194 WeakPolarHBondContact O-CG 3.35Å; L190-R194 PolarHBondContact O-N 2.84Å
191I90.5Very high84Confident90 Ų9077.6 Ų77.646%0.46238%0.377SS..Hα-helixtrans-62.2-46.9178.5-70.6166.3000110.6R187 E188 V189 F193 R194 Q195R187-I191 HydrophobicContact CG-CD1 4.01Å; R187-I191 VanDerWaalsContact O-CG1 3.26Å; R187-I191 WeakPolarHBondContact O-CG1 3.4Å; R187-I191 PolarHBondContact O-N 3.45Å; E188-I191 PolarHBondContact O-N 3.22Å; V189-I191 PolarHBondContact O-N 3.36Å; I191-F193 VanDerWaalsContact C-N 3.33Å; I191-F193 PolarHBondContact O-N 3.31Å; I191-R194 PolarHBondContact O-N 2.93Å; I191-Q195 WeakPolarHBondContact O-CB 3.35Å; I191-Q195 PolarHBondContact O-N 3.05Å
192K91.2Very high85.7Confident139 Ų13973.1 Ų73.160%0.60436%0.356SS*.Hα-helixtrans-60.3-43.4177.7-75.9174-178.9167.60111.7E188 V189 Q195 S196E188-K192 WeakPolarHBondContact O-CG 3.42Å; E188-K192 PolarHBondContact O-N 3.43Å; V189-K192 PolarHBondContact O-N 3.26Å; K192-Q195 PolarHBondContact O-N 2.87Å; K192-S196 PolarHBondContact O-N 3.45Å
193F92.6Very high87.2Confident15 Ų1567.4 Ų67.47%0.06633%0.327CS..Hα-helixtrans-64.5-47.1177.9-176-112.3000111.9G38 L169 L170 R173 F174 V189 L190 I191 Q195 S196 L197G38-F193 WeakPolarHBondContact O-CE2 3.33Å; L169-F193 HydrophobicContact CB-CE1 4.17Å; L169-F193 HydrophobicContact CB-CZ 4.32Å; L170-F193 HydrophobicContact CD2-CD1 3.75Å; L170-F193 HydrophobicContact CD2-CE1 4.28Å; R173-F193 HydrophobicContact CB-CE1 4.48Å; F174-F193 HydrophobicContact CD2-CD1 4.49Å; F174-F193 HydrophobicContact CE2-CB 4.02Å; F174-F193 AromaticContact CE2-CD1 3.64Å; F174-F193 HydrophobicContact CE2-CD1 3.64Å; F174-F193 HydrophobicContact CE2-CE1 4.28Å; F174-F193 AromaticContact CE2-CG 3.92Å; F174-F193 HydrophobicContact CE2-CG 3.92Å; F174-F193 HydrophobicContact CZ-CB 4.23Å; F174-F193 HydrophobicContact CZ-CG 4.37Å; V189-F193 WeakPolarHBondContact O-CB 3.34Å; V189-F193 PolarHBondContact O-N 2.92Å; L190-F193 PolarHBondContact O-N 2.98Å; I191-F193 VanDerWaalsContact C-N 3.33Å; I191-F193 PolarHBondContact O-N 3.31Å; F193-Q195 VanDerWaalsContact C-N 3.29Å; F193-Q195 PolarHBondContact O-N 3Å; F193-S196 PolarHBondContact O-N 3.4Å; F193-L197 HydrophobicContact CD1-CD1 3.99Å; F193-L197 HydrophobicContact CD1-CG 4.43Å; F193-L197 HydrophobicContact CE1-CD1 3.55Å; F193-L197 HydrophobicContact CE1-CG 4.14Å; F193-L197 HydrophobicContact CE2-CD2 4.34Å; F193-L197 HydrophobicContact CE2-CG 4.34Å; F193-L197 HydrophobicContact CZ-CD1 3.89Å; F193-L197 HydrophobicContact CZ-CD2 4.11Å; F193-L197 HydrophobicContact CZ-CG 4.08Å; F193-L197 WeakPolarHBondContact O-CG 3.27Å; F193-L197 PolarHBondContact O-N 2.8Å
194R91.5Very high88.3Confident61 Ų6167.5 Ų67.523%0.2332%0.322CS..Hα-helixtrans-56.8-42.3174.2-74.8-175.4173.1123.10112.2E166 L170 L190 I191 L197 R198E166-R194 VanDerWaalsContact OE1-CD 3.29Å; E166-R194 WeakPolarHBondContact OE1-CD 3.37Å; E166-R194 WeakPolarHBondContact OE1-CG 3.47Å; E166-R194 IonicContact OE1-NE 3.79Å; L170-R194 HydrophobicContact CD1-CG 3.95Å; L170-R194 HydrophobicContact CD2-CG 3.77Å; L170-R194 HydrophobicContact CG-CG 4.36Å; L190-R194 WeakPolarHBondContact O-CG 3.35Å; L190-R194 PolarHBondContact O-N 2.84Å; I191-R194 PolarHBondContact O-N 2.93Å; R194-L197 PolarHBondContact O-N 2.84Å; R194-R198 WeakPolarHBondContact O-CG 3.13Å; R194-R198 PolarHBondContact O-N 3.35Å
195Q92.7Very high89.4Confident118 Ų11863.5 Ų63.555%0.55130%0.298SS*.Hα-helixtrans-63.4-48177.7-175.5172.40.900111.1I191 K192 F193 L197 R198 T199I191-Q195 WeakPolarHBondContact O-CB 3.35Å; I191-Q195 PolarHBondContact O-N 3.05Å; K192-Q195 PolarHBondContact O-N 2.87Å; F193-Q195 VanDerWaalsContact C-N 3.29Å; F193-Q195 PolarHBondContact O-N 3Å; Q195-L197 VanDerWaalsContact C-N 3.34Å; Q195-L197 PolarHBondContact O-N 3.24Å; Q195-R198 PolarHBondContact O-N 3.49Å; Q195-T199 HydrophobicContact CG-CG2 4.46Å; Q195-T199 PolarHBondContact O-N 2.9Å; Q195-T199 PolarHBondContact O-OG1 3.33Å
196S93.1Very high90.4Very high34 Ų3456.2 Ų56.224%0.23826%0.264CS..Hα-helixtrans-56.2-46176.8-177.40000112.3K192 F193 R198 T199 A200 I201K192-S196 PolarHBondContact O-N 3.45Å; F193-S196 PolarHBondContact O-N 3.4Å; S196-R198 PolarHBondContact O-N 2.76Å; S196-T199 PolarHBondContact O-N 3.35Å; S196-A200 WeakPolarHBondContact O-CA 3.45Å; S196-A200 WeakPolarHBondContact O-CB 3.48Å; S196-A200 PolarHBondContact O-N 2.82Å; S196-I201 PolarHBondContact O-N 2.87Å
197L91.8Very high91Very high1 Ų157.3 Ų57.31%0.00527%0.269CS..Hα-helixtrans-59-29.3176.3-74.4-175.2000113.9M161 E166 L169 F193 R194 Q195 L206M161-L197 HydrophobicContact CE-CB 4.05Å; M161-L197 HydrophobicContact CE-CD2 4.12Å; M161-L197 WeakPolarHBondContact CE-O 3.36Å; E166-L197 HydrophobicContact CG-CD1 4.29Å; L169-L197 HydrophobicContact CB-CD1 3.94Å; L169-L197 HydrophobicContact CD1-CD1 3.88Å; L169-L197 HydrophobicContact CD1-CD2 3.78Å; L169-L197 HydrophobicContact CD1-CG 4.49Å; F193-L197 HydrophobicContact CD1-CD1 3.99Å; F193-L197 HydrophobicContact CD1-CG 4.43Å; F193-L197 HydrophobicContact CE1-CD1 3.55Å; F193-L197 HydrophobicContact CE1-CG 4.14Å; F193-L197 HydrophobicContact CE2-CD2 4.34Å; F193-L197 HydrophobicContact CE2-CG 4.34Å; F193-L197 HydrophobicContact CZ-CD1 3.89Å; F193-L197 HydrophobicContact CZ-CD2 4.11Å; F193-L197 HydrophobicContact CZ-CG 4.08Å; F193-L197 WeakPolarHBondContact O-CG 3.27Å; F193-L197 PolarHBondContact O-N 2.8Å; R194-L197 PolarHBondContact O-N 2.84Å; Q195-L197 VanDerWaalsContact C-N 3.34Å; Q195-L197 PolarHBondContact O-N 3.24Å; L197-L206 HydrophobicContact CD2-CD2 4.34Å
198R90.6Very high91.5Very high156 Ų15655.5 Ų55.559%0.58927%0.265SS*.Hα-helixtrans-91.6-33.3-178.2-69.7174.8-176.21713.8113.3E166 R194 Q195 S196E166-R198 IonicContact OE1-CZ 3.52Å; E166-R198 IonicContact OE1-NE 3.61Å; E166-R198 IonicContact OE1-NH2 2.68Å; E166-R198 PolarHBondContact OE1-NH2 3.29Å; E166-R198 IonicContact OE2-CZ 3.56Å; E166-R198 VanDerWaalsContact OE2-CZ 3.27Å; E166-R198 IonicContact OE2-NE 3.71Å; E166-R198 PolarHBondContact OE2-NE 3.21Å; E166-R198 IonicContact OE2-NH2 2.81Å; E166-R198 PolarHBondContact OE2-NH2 2.85Å; R194-R198 WeakPolarHBondContact O-CG 3.13Å; R194-R198 PolarHBondContact O-N 3.35Å; Q195-R198 PolarHBondContact O-N 3.49Å; S196-R198 PolarHBondContact O-N 2.76Å
199T91.1Very high91.8Very high107 Ų10750.4 Ų50.466%0.65624%0.241SC*.Hα-helixtrans-114-26.6-169.262.90000114.6Q195 S196Q195-T199 HydrophobicContact CG-CG2 4.46Å; Q195-T199 PolarHBondContact O-N 2.9Å; Q195-T199 PolarHBondContact O-OG1 3.33Å; S196-T199 PolarHBondContact O-N 3.35Å
200A93.2Very high92Very high18 Ų1848.6 Ų48.615%0.14923%0.23CC..THydrogen-bonded Turntrans-108.6-50.4-172.600000112.1D72 G73 S196D72-A200 HydrophobicContact CB-CB 4.32Å; D72-A200 WeakPolarHBondContact OD1-CB 3.38Å; G73-A200 PolarHBondContact N-O 3.34Å; S196-A200 WeakPolarHBondContact O-CA 3.45Å; S196-A200 WeakPolarHBondContact O-CB 3.48Å; S196-A200 PolarHBondContact O-N 2.82Å
201I93.7Very high92Very high7 Ų750.6 Ų50.64%0.03624%0.24CC..SBendtrans-79.2130-175.2-55.9-61000111.1Q70 S196 P203 L206Q70-I201 WeakPolarHBondContact O-CD1 3.27Å; S196-I201 PolarHBondContact O-N 2.87Å; I201-P203 VanDerWaalsContact O-CD 3.32Å; I201-P203 WeakPolarHBondContact O-CD 3.2Å; I201-L206 HydrophobicContact CG2-CB 4.03Å; I201-L206 HydrophobicContact CG2-CD2 4.04Å; I201-L206 HydrophobicContact CG2-CG 4.45Å
202N93.7Very high92.1Very high18 Ų1846.8 Ų46.810%0.09622%0.221CC..  trans-73115.6174.3-175.9-41.3000110.8E74 D76 R204 N205 L206E74-N202 WeakPolarHBondContact O-CB 3.25Å; E74-N202 PolarHBondContact O-ND2 3.32Å; D76-N202 PolarHBondContact N-ND2 3.22Å; D76-N202 PolarHBondContact OD1-ND2 3.16Å; D76-N202 PolarHBondContact OD1-OD1 3.09Å; N202-R204 VanDerWaalsContact C-N 3.3Å; N202-R204 PolarHBondContact O-N 2.84Å; N202-R204 WeakPolarHBondContact OD1-CB 3.2Å; N202-R204 PolarHBondContact OD1-N 3.1Å; N202-N205 HydrophobicContact CB-CB 4.13Å; N202-N205 PolarHBondContact O-N 3.46Å; N202-N205 PolarHBondContact OD1-N 3.27Å; N202-L206 WeakPolarHBondContact O-CB 3.45Å; N202-L206 PolarHBondContact O-N 2.78Å
203P91.6Very high92.1Very high28 Ų2840.5 Ų40.518%0.18219%0.193CC..Hα-helixtrans-67.4-27.3-174.626.4-34.3000113.5M161 I201 N207M161-P203 HydrophobicContact CE-CB 4.36Å; I201-P203 VanDerWaalsContact O-CD 3.32Å; I201-P203 WeakPolarHBondContact O-CD 3.2Å; P203-N207 PolarHBondContact O-N 3.44Å
204R90.8Very high91.8Very high121 Ų12142.4 Ų42.446%0.45720%0.203SC..Hα-helixtrans-72.9-41.7177.3-70.1175.9170.7154.92.1111.2D76 N202 N207 K208D76-R204 WeakPolarHBondContact OD2-CD 3.25Å; D76-R204 IonicContact OD2-CZ 2.61Å; D76-R204 IonicContact OD2-NE 2.62Å; D76-R204 IonicContact OD2-NH1 3.03Å; D76-R204 PolarHBondContact OD2-NH1 2.8Å; N202-R204 VanDerWaalsContact C-N 3.3Å; N202-R204 PolarHBondContact O-N 2.84Å; N202-R204 WeakPolarHBondContact OD1-CB 3.2Å; N202-R204 PolarHBondContact OD1-N 3.1Å; R204-N207 WeakPolarHBondContact O-CB 3.45Å; R204-N207 PolarHBondContact O-N 3.38Å; R204-K208 PolarHBondContact O-N 2.85Å
205N94.5Very high91.8Very high1 Ų143.8 Ų43.81%0.00522%0.222CC..Hα-helixtrans-69.1-42.2175.6-64.4-14.6000110.7G69 Q70 S75 L77 N202 N207 K208 F209G69-N205 WeakPolarHBondContact CA-ND2 3.37Å; G69-N205 WeakPolarHBondContact O-CB 3.46Å; G69-N205 PolarHBondContact O-ND2 3.14Å; Q70-N205 VanDerWaalsContact NE2-C 3.33Å; Q70-N205 PolarHBondContact NE2-O 2.84Å; Q70-N205 VanDerWaalsContact NE2-O 3.16Å; S75-N205 PolarHBondContact O-ND2 3.12Å; L77-N205 HydrophobicContact CD1-CB 4.27Å; L77-N205 WeakPolarHBondContact CG-OD1 3.33Å; L77-N205 PolarHBondContact N-OD1 3.24Å; N202-N205 HydrophobicContact CB-CB 4.13Å; N202-N205 PolarHBondContact O-N 3.46Å; N202-N205 PolarHBondContact OD1-N 3.27Å; N205-N207 VanDerWaalsContact C-N 3.27Å; N205-N207 PolarHBondContact O-N 2.79Å; N205-K208 WeakPolarHBondContact O-CB 3.32Å; N205-K208 PolarHBondContact O-N 2.76Å; N205-K208 VanDerWaalsContact O-N 3.12Å; N205-F209 PolarHBondContact O-N 2.75Å; N205-F209 VanDerWaalsContact O-N 3.17Å
206L93.2Very high91.7Very high1 Ų139.3 Ų39.31%0.00520%0.2CC..Hα-helixtrans-58.7-38.5174.8-17961.4000112Q70 M161 L169 L197 I201 N202 K208 F209 I210Q70-L206 VanDerWaalsContact OE1-CD1 3.31Å; M161-L206 HydrophobicContact CE-CD2 3.83Å; L169-L206 HydrophobicContact CD1-CD2 3.62Å; L197-L206 HydrophobicContact CD2-CD2 4.34Å; I201-L206 HydrophobicContact CG2-CB 4.03Å; I201-L206 HydrophobicContact CG2-CD2 4.04Å; I201-L206 HydrophobicContact CG2-CG 4.45Å; N202-L206 WeakPolarHBondContact O-CB 3.45Å; N202-L206 PolarHBondContact O-N 2.78Å; L206-K208 VanDerWaalsContact C-N 3.33Å; L206-K208 PolarHBondContact O-N 2.55Å; L206-F209 PolarHBondContact O-N 3.49Å; L206-F209 VanDerWaalsContact O-N 3.15Å; L206-I210 HydrophobicContact CD1-CD1 4.23Å; L206-I210 HydrophobicContact CD1-CG1 4.2Å; L206-I210 HydrophobicContact CD2-CD1 4.36Å; L206-I210 HydrophobicContact CG-CD1 3.85Å; L206-I210 HydrophobicContact CG-CG1 4.27Å; L206-I210 WeakPolarHBondContact O-CG1 3.38Å; L206-I210 PolarHBondContact O-N 3.37Å
207N90.2Very high91.6Very high33 Ų3341.9 Ų41.918%0.17622%0.215CC..Hα-helixtrans-55.8-47.6173.3-166-1.5000112.7W154 P203 R204 N205 F209 I210 M211W154-N207 HydrophobicContact CE3-CB 4.23Å; W154-N207 VanDerWaalsContact CE3-CG 3.41Å; W154-N207 HydrophobicContact CH2-CB 3.06Å; W154-N207 WeakPolarHBondContact CH2-OD1 3.16Å; W154-N207 HydrophobicContact CZ2-CB 3.35Å; W154-N207 VanDerWaalsContact CZ3-CA 3.48Å; W154-N207 HydrophobicContact CZ3-CB 3.52Å; W154-N207 WeakPolarHBondContact CZ3-OD1 3.47Å; P203-N207 PolarHBondContact O-N 3.44Å; R204-N207 WeakPolarHBondContact O-CB 3.45Å; R204-N207 PolarHBondContact O-N 3.38Å; N205-N207 VanDerWaalsContact C-N 3.27Å; N205-N207 PolarHBondContact O-N 2.79Å; N207-F209 VanDerWaalsContact C-N 3.25Å; N207-F209 PolarHBondContact O-N 2.78Å; N207-I210 PolarHBondContact O-N 3.23Å; N207-M211 WeakPolarHBondContact O-CB 3.42Å; N207-M211 WeakPolarHBondContact O-CG 3.24Å; N207-M211 PolarHBondContact O-N 3Å; N207-M211 WeakPolarHBondContact OD1-CE 3.44Å; N207-M211 VanDerWaalsContact OD1-CG 3.31Å; N207-M211 WeakPolarHBondContact OD1-CG 3.4Å
208K92.5Very high91.6Very high70 Ų7047.2 Ų47.230%0.30424%0.238SC..Hα-helixtrans-59.5-41178.7-62.9170.9-176.8-77.60110.7L77 F83 R204 N205 L206 S212L77-K208 HydrophobicContact CD1-CD 3.94Å; F83-K208 HydrophobicContact CB-CB 3.83Å; F83-K208 HydrophobicContact CB-CD 4.39Å; F83-K208 HydrophobicContact CB-CG 4.44Å; F83-K208 HydrophobicContact CD1-CB 4.27Å; F83-K208 HydrophobicContact CD2-CB 3.42Å; F83-K208 VanDerWaalsContact CD2-CB 3.42Å; F83-K208 HydrophobicContact CD2-CD 4.15Å; F83-K208 HydrophobicContact CD2-CG 4.41Å; F83-K208 HydrophobicContact CE2-CB 4Å; F83-K208 HydrophobicContact CG-CB 3.57Å; R204-K208 PolarHBondContact O-N 2.85Å; N205-K208 WeakPolarHBondContact O-CB 3.32Å; N205-K208 PolarHBondContact O-N 2.76Å; N205-K208 VanDerWaalsContact O-N 3.12Å; L206-K208 VanDerWaalsContact C-N 3.33Å; L206-K208 PolarHBondContact O-N 2.55Å; K208-S212 WeakPolarHBondContact O-CB 3.47Å; K208-S212 PolarHBondContact O-N 3.02Å
209F94.3Very high91.8Very high0 Ų039.8 Ų39.80%021%0.21CC..Hα-helixtrans-66.4-47.8176.6-174.2-156.5000112.9L37 V67 Q70 F83 L89 A112 I116 N205 L206 N207 M211 S212 F213L37-F209 HydrophobicContact CD2-CD1 3.62Å; L37-F209 HydrophobicContact CD2-CD2 4.27Å; L37-F209 HydrophobicContact CD2-CE1 3.63Å; L37-F209 HydrophobicContact CD2-CE2 4.25Å; L37-F209 HydrophobicContact CD2-CG 3.95Å; L37-F209 HydrophobicContact CD2-CZ 3.95Å; V67-F209 HydrophobicContact CB-CD1 4.47Å; V67-F209 HydrophobicContact CB-CE1 4.25Å; V67-F209 HydrophobicContact CB-CZ 4.36Å; V67-F209 HydrophobicContact CG1-CD1 4.1Å; V67-F209 HydrophobicContact CG1-CD2 3.85Å; V67-F209 HydrophobicContact CG1-CE1 4.2Å; V67-F209 HydrophobicContact CG1-CE2 3.98Å; V67-F209 HydrophobicContact CG1-CG 3.94Å; V67-F209 HydrophobicContact CG1-CZ 4.16Å; V67-F209 HydrophobicContact CG2-CE1 4.1Å; V67-F209 HydrophobicContact CG2-CE2 4.29Å; V67-F209 HydrophobicContact CG2-CZ 3.85Å; Q70-F209 HydrophobicContact CG-CD1 4Å; F83-F209 HydrophobicContact CE1-CB 4.17Å; F83-F209 HydrophobicContact CE1-CD2 4.19Å; F83-F209 HydrophobicContact CE2-CB 4.39Å; F83-F209 HydrophobicContact CZ-CB 3.66Å; F83-F209 HydrophobicContact CZ-CD2 4.15Å; F83-F209 HydrophobicContact CZ-CG 4.19Å; L89-F209 HydrophobicContact CD1-CD2 4.37Å; L89-F209 HydrophobicContact CD1-CE2 4.11Å; A112-F209 HydrophobicContact CB-CE1 4.47Å; A112-F209 HydrophobicContact CB-CE2 4.28Å; A112-F209 HydrophobicContact CB-CZ 3.73Å; I116-F209 HydrophobicContact CD1-CE2 4.07Å; I116-F209 HydrophobicContact CD1-CZ 4.16Å; N205-F209 PolarHBondContact O-N 2.75Å; N205-F209 VanDerWaalsContact O-N 3.17Å; L206-F209 PolarHBondContact O-N 3.49Å; L206-F209 VanDerWaalsContact O-N 3.15Å; N207-F209 VanDerWaalsContact C-N 3.25Å; N207-F209 PolarHBondContact O-N 2.78Å; F209-M211 VanDerWaalsContact C-N 3.31Å; F209-M211 PolarHBondContact O-N 3.38Å; F209-S212 PolarHBondContact O-N 2.61Å; F209-F213 WeakPolarHBondContact O-CB 2.98Å; F209-F213 PolarHBondContact O-N 3.44Å
210I90.1Very high91.8Very high0 Ų036.9 Ų36.90%019%0.19CC..Hα-helixtrans-56.5-47175.9-69.2170.9000110.3L37 L151 W154 Y168 L169 L206 N207 S212 F213 M214L37-I210 HydrophobicContact CD1-CG1 4.37Å; L37-I210 HydrophobicContact CD2-CG1 4.08Å; L151-I210 HydrophobicContact CD1-CG2 4.39Å; W154-I210 HydrophobicContact CH2-CD1 3.97Å; W154-I210 HydrophobicContact CZ3-CB 4.4Å; W154-I210 HydrophobicContact CZ3-CD1 3.96Å; W154-I210 HydrophobicContact CZ3-CG2 4.46Å; Y168-I210 HydrophobicContact CE1-CD1 4.47Å; Y168-I210 HydrophobicContact CE1-CG2 4.38Å; L169-I210 HydrophobicContact CD2-CD1 4.21Å; L206-I210 HydrophobicContact CD1-CD1 4.23Å; L206-I210 HydrophobicContact CD1-CG1 4.2Å; L206-I210 HydrophobicContact CD2-CD1 4.36Å; L206-I210 HydrophobicContact CG-CD1 3.85Å; L206-I210 HydrophobicContact CG-CG1 4.27Å; L206-I210 WeakPolarHBondContact O-CG1 3.38Å; L206-I210 PolarHBondContact O-N 3.37Å; N207-I210 PolarHBondContact O-N 3.23Å; I210-S212 PolarHBondContact O-N 2.71Å; I210-F213 PolarHBondContact O-N 3.2Å; I210-M214 HydrophobicContact CG2-CG 4.18Å; I210-M214 HydrophobicContact CG2-SD 3.7Å; I210-M214 WeakPolarHBondContact O-CB 2.99Å; I210-M214 WeakPolarHBondContact O-CG 3.37Å; I210-M214 PolarHBondContact O-N 2.93Å
211M89.2Confident91.7Very high45 Ų4543.2 Ų43.222%0.22222%0.217CC..Hα-helixtrans-64.4-40.8179.9-67-65.9147.800112.3L151 W154 N207 F209 M214 S215L151-M211 HydrophobicContact CB-CE 4.36Å; W154-M211 HydrophobicContact CE3-CE 3.82Å; W154-M211 HydrophobicContact CZ3-CE 4.15Å; N207-M211 WeakPolarHBondContact O-CB 3.42Å; N207-M211 WeakPolarHBondContact O-CG 3.24Å; N207-M211 PolarHBondContact O-N 3Å; N207-M211 WeakPolarHBondContact OD1-CE 3.44Å; N207-M211 VanDerWaalsContact OD1-CG 3.31Å; N207-M211 WeakPolarHBondContact OD1-CG 3.4Å; F209-M211 VanDerWaalsContact C-N 3.31Å; F209-M211 PolarHBondContact O-N 3.38Å; M211-M214 PolarHBondContact O-N 3.44Å; M211-S215 WeakPolarHBondContact O-CB 3.38Å; M211-S215 PolarHBondContact O-N 3.13Å; M211-S215 PolarHBondContact O-OG 2.81Å
212S92.5Very high91.7Very high9 Ų946.9 Ų46.96%0.06323%0.233CC..Hα-helixtrans-61.1-47172.6-1790000111.1P84 S85 V86 K208 F209 I210 M214 S215 R216P84-S212 WeakPolarHBondContact O-CB 3.26Å; P84-S212 PolarHBondContact O-OG 2.62Å; S85-S212 WeakPolarHBondContact CA-OG 3.17Å; V86-S212 WeakPolarHBondContact CG2-O 3.32Å; V86-S212 PolarHBondContact N-OG 3.38Å; K208-S212 WeakPolarHBondContact O-CB 3.47Å; K208-S212 PolarHBondContact O-N 3.02Å; F209-S212 PolarHBondContact O-N 2.61Å; I210-S212 PolarHBondContact O-N 2.71Å; S212-M214 PolarHBondContact O-N 3.41Å; S212-S215 CarbonylContact O-C 3.56Å; S212-S215 PolarHBondContact O-N 3.01Å; S212-S215 PolarHBondContact O-OG 2.95Å; S212-R216 PolarHBondContact O-N 3.3Å
213F91.7Very high91.8Very high7 Ų746.4 Ų46.43%0.03123%0.231CC..Hα-helixtrans-64.7-39.7178.5-175.3-112.2000112.7L37 V86 A112 N115 F209 I210 S215 R216L37-F213 HydrophobicContact CD1-CD1 3.87Å; L37-F213 HydrophobicContact CD1-CE1 4.32Å; L37-F213 HydrophobicContact CD2-CB 4.28Å; V86-F213 HydrophobicContact CG2-CD2 4.38Å; A112-F213 VanDerWaalsContact CA-CE2 3.48Å; A112-F213 HydrophobicContact CB-CD1 4.31Å; A112-F213 HydrophobicContact CB-CD2 3.58Å; A112-F213 HydrophobicContact CB-CE1 4.34Å; A112-F213 HydrophobicContact CB-CE2 3.65Å; A112-F213 HydrophobicContact CB-CG 3.93Å; A112-F213 HydrophobicContact CB-CZ 4.03Å; N115-F213 HydrophobicContact CB-CE2 3.89Å; F209-F213 WeakPolarHBondContact O-CB 2.98Å; F209-F213 PolarHBondContact O-N 3.44Å; I210-F213 PolarHBondContact O-N 3.2Å; F213-S215 VanDerWaalsContact C-N 3.28Å; F213-S215 PolarHBondContact O-N 2.8Å; F213-R216 VanDerWaalsContact CE2-CD 3.46Å; F213-R216 VanDerWaalsContact O-CB 3.22Å; F213-R216 WeakPolarHBondContact O-CB 3.41Å; F213-R216 WeakPolarHBondContact O-CD 3.37Å; F213-R216 WeakPolarHBondContact O-CG 3.48Å; F213-R216 PolarHBondContact O-N 3.28Å; F213-R216 PolarHBondContact O-NH1 3.05Å
214M86.7Confident91.9Very high56 Ų5649.9 Ų49.928%0.27625%0.248SC..Hα-helixtrans-67.5-29.2177-72.1179.781.500112.7R148 L151 I210 M211 S212 R216R148-M214 HydrophobicContact CB-CE 3.86Å; R148-M214 HydrophobicContact CG-CE 3.71Å; L151-M214 HydrophobicContact CD1-CE 4.17Å; L151-M214 HydrophobicContact CD1-SD 3.9Å; I210-M214 HydrophobicContact CG2-CG 4.18Å; I210-M214 HydrophobicContact CG2-SD 3.7Å; I210-M214 WeakPolarHBondContact O-CB 2.99Å; I210-M214 WeakPolarHBondContact O-CG 3.37Å; I210-M214 PolarHBondContact O-N 2.93Å; M211-M214 PolarHBondContact O-N 3.44Å; S212-M214 PolarHBondContact O-N 3.41Å; M214-R216 VanDerWaalsContact C-N 3.31Å
215S89.7Confident92.1Very high89 Ų8947.9 Ų47.962%0.62224%0.244SC*.THydrogen-bonded Turntrans-88.98.3176.257.50000113.8M211 S212 F213M211-S215 WeakPolarHBondContact O-CB 3.38Å; M211-S215 PolarHBondContact O-N 3.13Å; M211-S215 PolarHBondContact O-OG 2.81Å; S212-S215 CarbonylContact O-C 3.56Å; S212-S215 PolarHBondContact O-N 3.01Å; S212-S215 PolarHBondContact O-OG 2.95Å; F213-S215 VanDerWaalsContact C-N 3.28Å; F213-S215 PolarHBondContact O-N 2.8Å
216R91.8Very high92.2Very high25 Ų2548 Ų489%0.09424%0.244CC..PPolyproline II helixtrans-59.7144.3-179.975.7-170.3175.1-84.75.9112.6V86 T137 T139 T140 S212 F213 M214V86-R216 HydrophobicContact CB-CB 4.15Å; V86-R216 HydrophobicContact CG2-CB 3.73Å; T137-R216 PolarHBondContact OG1-NH2 2.87Å; T139-R216 PolarHBondContact O-NH2 3Å; T140-R216 HydrophobicContact CG2-CG 4.43Å; T140-R216 VanDerWaalsContact CG2-O 3.3Å; T140-R216 WeakPolarHBondContact CG2-O 3.43Å; S212-R216 PolarHBondContact O-N 3.3Å; F213-R216 VanDerWaalsContact CE2-CD 3.46Å; F213-R216 VanDerWaalsContact O-CB 3.22Å; F213-R216 WeakPolarHBondContact O-CB 3.41Å; F213-R216 WeakPolarHBondContact O-CD 3.37Å; F213-R216 WeakPolarHBondContact O-CG 3.48Å; F213-R216 PolarHBondContact O-N 3.28Å; F213-R216 PolarHBondContact O-NH1 3.05Å; M214-R216 VanDerWaalsContact C-N 3.31Å
217T91.4Very high92.3Very high88 Ų8855.6 Ų55.654%0.5427%0.273SS..PPolyproline II helixtrans-72.5155.9171.156.70000111.1R119R119-T217 PolarHBondContact NH1-OG1 3.28Å; R119-T217 PolarHBondContact NH2-O 3.09Å; R119-T217 PolarHBondContact NH2-OG1 3.39Å
218K91.9Very high92.6Very high112 Ų11254.2 Ų54.249%0.48727%0.266SS..PPolyproline II helixtrans-70139.6171.8-62.2176.4-174.6172.40109.3
219I93.5Very high92.8Very high1 Ų151.9 Ų51.91%0.00526%0.258CS..  trans-100.5-11.7176.760.4172.9000113V118 R119 M122 G138 E221 H222 V223 L247V118-I219 HydrophobicContact CG1-CD1 3.37Å; V118-I219 HydrophobicContact CG2-CD1 4.4Å; R119-I219 HydrophobicContact CG-CG2 4.05Å; M122-I219 HydrophobicContact CE-CB 4.03Å; M122-I219 HydrophobicContact CE-CG2 3.98Å; G138-I219 PolarHBondContact O-N 3.48Å; I219-E221 PolarHBondContact O-N 2.89Å; I219-E221 VanDerWaalsContact O-N 3.07Å; I219-H222 PolarHBondContact O-N 3.34Å; I219-V223 WeakPolarHBondContact O-CG1 3.38Å; I219-V223 PolarHBondContact O-N 3.4Å; I219-L247 HydrophobicContact CD1-CD1 3.89Å; I219-L247 HydrophobicContact CD1-CD2 4.08Å; I219-L247 HydrophobicContact CG1-CD1 4.18Å
220L91.9Very high93Very high46 Ų4651.9 Ų51.924%0.24126%0.258CS..THydrogen-bonded Turntrans-55.9-29.4-174.7-94.869.5000113.9G138 T139 H222 V223 R246 L247 A250G138-L220 VanDerWaalsContact C-CD1 3.43Å; G138-L220 WeakPolarHBondContact O-CD1 3.03Å; T139-L220 HydrophobicContact CG2-CD1 3.66Å; T139-L220 HydrophobicContact CG2-CD2 3.82Å; T139-L220 HydrophobicContact CG2-CG 4.38Å; L220-H222 VanDerWaalsContact C-N 3.29Å; L220-V223 WeakPolarHBondContact O-CG2 3.32Å; L220-R246 HydrophobicContact CD2-CG 4.02Å; L220-L247 HydrophobicContact CD1-CD1 4.26Å; L220-A250 HydrophobicContact CG-CB 4.24Å
221E90.4Very high93.4Very high151 Ų15152 Ų5271%0.70626%0.258SS*.THydrogen-bonded Turntrans-81.3-8.8-179.1-67169.8-161.400113.3I219I219-E221 PolarHBondContact O-N 2.89Å; I219-E221 VanDerWaalsContact O-N 3.07Å
222H94.6Very high93.9Very high83 Ų8349.8 Ų49.838%0.38425%0.248SC..SBendtrans-120.55.5-175.1-55.989.9000112.7M122 I219 L220 D224 Q225M122-H222 HydrophobicContact SD-CB 3.89Å; I219-H222 PolarHBondContact O-N 3.34Å; L220-H222 VanDerWaalsContact C-N 3.29Å; H222-D224 WeakPolarHBondContact CA-OD1 3.23Å; H222-D224 PolarHBondContact O-N 3.49Å; H222-D224 VanDerWaalsContact O-N 3.15Å; H222-Q225 VanDerWaalsContact O-CB 3.28Å; H222-Q225 WeakPolarHBondContact O-CB 3.48Å; H222-Q225 WeakPolarHBondContact O-CG 3.31Å; H222-Q225 PolarHBondContact O-N 2.99Å
223V95.1Very high94.2Very high8 Ų849.4 Ų49.45%0.04825%0.245CC..G310 helixtrans-64.8-17.7-176-650000113.6I219 L220 Q225 I226 L247 A250 V251 A254I219-V223 WeakPolarHBondContact O-CG1 3.38Å; I219-V223 PolarHBondContact O-N 3.4Å; L220-V223 WeakPolarHBondContact O-CG2 3.32Å; V223-Q225 PolarHBondContact O-N 3.42Å; V223-I226 HydrophobicContact CB-CD1 4.3Å; V223-I226 WeakPolarHBondContact O-CB 3.19Å; V223-I226 PolarHBondContact O-N 3.09Å; V223-L247 HydrophobicContact CG1-CD1 3.93Å; V223-A250 HydrophobicContact CG2-CB 4.21Å; V223-V251 HydrophobicContact CB-CG2 4.04Å; V223-V251 HydrophobicContact CG1-CG2 4.01Å; V223-A254 HydrophobicContact CG2-CB 3.94Å
224D94Very high94.4Very high101 Ų10149 Ų4954%0.5424%0.243SC..G310 helixtrans-63.6-16.8170.862.9-58.2000113.1H222 I226 A254H222-D224 WeakPolarHBondContact CA-OD1 3.23Å; H222-D224 PolarHBondContact O-N 3.49Å; H222-D224 VanDerWaalsContact O-N 3.15Å; D224-I226 VanDerWaalsContact C-N 3.3Å; D224-A254 HydrophobicContact CB-CB 4.33Å
225Q95.7Very high94.8Very high80 Ų8046.4 Ų46.437%0.37423%0.23SC..G310 helixtrans-81.1-8.2175.5-58177.312.600113.2M122 H222 V223 R227M122-Q225 HydrophobicContact CB-CB 3.95Å; M122-Q225 HydrophobicContact CG-CB 4Å; H222-Q225 VanDerWaalsContact O-CB 3.28Å; H222-Q225 WeakPolarHBondContact O-CB 3.48Å; H222-Q225 WeakPolarHBondContact O-CG 3.31Å; H222-Q225 PolarHBondContact O-N 2.99Å; V223-Q225 PolarHBondContact O-N 3.42Å; Q225-R227 PolarHBondContact O-N 3.35Å
226I96.6Very high94.9Very high3 Ų343.7 Ų43.72%0.01521%0.214CC..  trans-73.6118.4176-65.2169.5000109.1V118 V121 M122 V223 D224 V230 V251V118-I226 HydrophobicContact CG2-CD1 3.94Å; V121-I226 HydrophobicContact CG1-CB 4.41Å; V121-I226 HydrophobicContact CG1-CG1 4.16Å; V121-I226 HydrophobicContact CG1-CG2 4Å; M122-I226 HydrophobicContact CG-CG1 3.81Å; V223-I226 HydrophobicContact CB-CD1 4.3Å; V223-I226 WeakPolarHBondContact O-CB 3.19Å; V223-I226 PolarHBondContact O-N 3.09Å; D224-I226 VanDerWaalsContact C-N 3.3Å; I226-V230 HydrophobicContact CG2-CG2 3.75Å; I226-V251 HydrophobicContact CD1-CG1 4.19Å; I226-V251 HydrophobicContact CD1-CG2 3.77Å
227R94.9Very high94.9Very high160 Ų16046.6 Ų46.660%0.60423%0.23SC*.  trans-117.719.3-177-56.5-172.4179.1-137.7-1.9114.7Q225Q225-R227 PolarHBondContact O-N 3.35Å
228C96.5Very high94.8Very high4 Ų443 Ų433%0.02721%0.21CC..SBendtrans-130.8159.9-178.7710000111.5V121 V128 V230 L261V121-C228 VanDerWaalsContact CG1-SG 3.56Å; V128-C228 WeakPolarHBondContact O-CB 3.35Å; C228-V230 WeakPolarHBondContact O-CG2 3.47Å; C228-L261 VanDerWaalsContact C-CD2 3.42Å
229P97.6Very high94.5Very high21 Ų2138.7 Ų38.714%0.13619%0.194CC..  trans-53144.1166.8-28.938.6000112.4L129 G130 A131 K264 F291 L295L129-P229 WeakPolarHBondContact O-CD 3.41Å; G130-P229 CarbonylContact C-O 3.42Å; G130-P229 VanDerWaalsContact CA-O 3.29Å; G130-P229 WeakPolarHBondContact CA-O 3.46Å; A131-P229 PolarHBondContact N-O 3.31Å; P229-K264 CarbonylContact C-O 3.53Å; P229-K264 VanDerWaalsContact CA-O 3.29Å; P229-K264 WeakPolarHBondContact CA-O 3.48Å; P229-K264 HydrophobicContact CB-CB 3.97Å; P229-K264 HydrophobicContact CG-CB 4.05Å; P229-K264 HydrophobicContact CG-CD 3.77Å; P229-F291 HydrophobicContact CB-CE2 3.89Å; P229-F291 HydrophobicContact CB-CZ 4.08Å; P229-L295 HydrophobicContact CB-CD2 3.9Å; P229-L295 HydrophobicContact CG-CD2 3.69Å
230V98.3Very high94.1Very high1 Ų140 Ų401%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-134.9125.4-179-171.20000110.3A131 L133 I226 C228 F232 K264 V265 E266A131-V230 HydrophobicContact CB-CG1 4.24Å; A131-V230 HydrophobicContact CB-CG2 4.35Å; A131-V230 CarbonylContact O-C 3.5Å; A131-V230 WeakPolarHBondContact O-CA 3.33Å; L133-V230 HydrophobicContact CD1-CG1 3.71Å; L133-V230 HydrophobicContact CG-CG1 4.14Å; I226-V230 HydrophobicContact CG2-CG2 3.75Å; C228-V230 WeakPolarHBondContact O-CG2 3.47Å; V230-F232 HydrophobicContact CB-CE2 4.09Å; V230-F232 HydrophobicContact CG1-CD2 3.75Å; V230-F232 HydrophobicContact CG1-CE1 4.44Å; V230-F232 HydrophobicContact CG1-CE2 3.35Å; V230-F232 HydrophobicContact CG1-CG 4.46Å; V230-F232 HydrophobicContact CG1-CZ 3.74Å; V230-K264 PolarHBondContact N-O 3.38Å; V230-V265 HydrophobicContact CB-CG1 4.44Å; V230-V265 HydrophobicContact CB-CG2 4.34Å; V230-V265 HydrophobicContact CG2-CG2 4.46Å; V230-V265 CarbonylContact O-C 3.52Å; V230-V265 WeakPolarHBondContact O-CA 3.26Å; V230-E266 PolarHBondContact O-N 3.03Å
231L98.5Very high94.1Very high1 Ų139 Ų391%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-105.5115.2168.417361.8000109.1A131 V132 L133 L233 E266 I268 F291A131-L231 PolarHBondContact O-N 3.17Å; V132-L231 WeakPolarHBondContact CA-O 3.34Å; V132-L231 HydrophobicContact CG1-CD2 4.33Å; L133-L231 PolarHBondContact N-O 3.38Å; L231-L233 HydrophobicContact CD2-CD1 4.14Å; L231-L233 HydrophobicContact CD2-CG 4.34Å; L231-L233 HydrophobicContact CG-CD1 4.4Å; L231-L233 HydrophobicContact CG-CG 4.19Å; L231-E266 HydrophobicContact CD1-CB 4.21Å; L231-I268 HydrophobicContact CD1-CD1 3.85Å; L231-I268 HydrophobicContact CD1-CG1 4.05Å; L231-F291 HydrophobicContact CB-CD2 3.65Å; L231-F291 HydrophobicContact CB-CE2 3.85Å; L231-F291 HydrophobicContact CB-CG 4.07Å; L231-F291 HydrophobicContact CB-CZ 4.42Å; L231-F291 HydrophobicContact CD2-CB 3.95Å; L231-F291 HydrophobicContact CD2-CD2 4.48Å; L231-F291 HydrophobicContact CD2-CG 4.24Å
232F98.5Very high94.1Very high0 Ų036.5 Ų36.50%018%0.183CC..EExtended strand (participates in β ladder)trans-91.7134.3168.6-68.2-89.7000110.3L133 V230 V244 L247 Y248 V251 V265 E266 L267 I268L133-F232 HydrophobicContact CB-CD1 3.99Å; L133-F232 HydrophobicContact CB-CE1 4.14Å; L133-F232 HydrophobicContact CD1-CD1 4.35Å; L133-F232 HydrophobicContact CD1-CE1 3.69Å; L133-F232 HydrophobicContact CD1-CZ 3.94Å; L133-F232 WeakPolarHBondContact O-CA 3.43Å; V230-F232 HydrophobicContact CB-CE2 4.09Å; V230-F232 HydrophobicContact CG1-CD2 3.75Å; V230-F232 HydrophobicContact CG1-CE1 4.44Å; V230-F232 HydrophobicContact CG1-CE2 3.35Å; V230-F232 HydrophobicContact CG1-CG 4.46Å; V230-F232 HydrophobicContact CG1-CZ 3.74Å; F232-V244 HydrophobicContact CD1-CG1 4.33Å; F232-L247 HydrophobicContact CE1-CD2 3.85Å; F232-L247 HydrophobicContact CE1-CG 3.95Å; F232-L247 HydrophobicContact CZ-CD2 4.44Å; F232-L247 HydrophobicContact CZ-CG 4.17Å; F232-Y248 AromaticContact CD2-CD2 3.73Å; F232-Y248 HydrophobicContact CD2-CD2 3.73Å; F232-Y248 HydrophobicContact CD2-CG 4.47Å; F232-Y248 HydrophobicContact CE2-CD2 4.12Å; F232-Y248 HydrophobicContact CG-CD2 4.48Å; F232-V251 HydrophobicContact CE2-CG2 4.45Å; F232-V251 HydrophobicContact CZ-CG2 4.03Å; F232-V265 HydrophobicContact CD2-CG1 4.43Å; F232-V265 HydrophobicContact CE2-CG1 4.08Å; F232-E266 PolarHBondContact N-O 2.95Å; F232-L267 HydrophobicContact CB-CB 4.26Å; F232-L267 HydrophobicContact CB-CD1 3.35Å; F232-L267 HydrophobicContact CB-CG 4.4Å; F232-L267 HydrophobicContact CG-CD1 4.39Å; F232-L267 WeakPolarHBondContact O-CA 3.3Å; F232-I268 PolarHBondContact O-N 2.89Å
233L98.2Very high93.9Very high0 Ų032.5 Ų32.50%016%0.164CC..EExtended strand (participates in β ladder)trans-124.5132.7174.7-74159.1000109.6V132 L133 I134 H135 L231 I268 V276 V284V132-L233 HydrophobicContact CG1-CD1 3.9Å; L133-L233 PolarHBondContact O-N 2.98Å; I134-L233 CarbonylContact C-O 3.59Å; I134-L233 WeakPolarHBondContact CA-O 3.38Å; I134-L233 HydrophobicContact CD1-CD1 4.33Å; I134-L233 HydrophobicContact CG1-CB 4.15Å; I134-L233 HydrophobicContact CG1-CD1 4.09Å; I134-L233 HydrophobicContact CG2-CB 4.32Å; H135-L233 PolarHBondContact N-O 3.1Å; L231-L233 HydrophobicContact CD2-CD1 4.14Å; L231-L233 HydrophobicContact CD2-CG 4.34Å; L231-L233 HydrophobicContact CG-CD1 4.4Å; L231-L233 HydrophobicContact CG-CG 4.19Å; L233-I268 WeakPolarHBondContact CA-O 3.49Å; L233-I268 HydrophobicContact CD2-CB 3.8Å; L233-I268 HydrophobicContact CD2-CD1 4.47Å; L233-I268 HydrophobicContact CD2-CG2 4.03Å; L233-V276 HydrophobicContact CB-CG2 4.41Å; L233-V284 HydrophobicContact CD1-CG1 3.93Å
234T96.7Very high93.9Very high0 Ų032.1 Ų32.10%016%0.162CC..EExtended strand (participates in β ladder)trans-150155.3175.4-169.90000111.6H135 N241 V244 F245 L267 I268 Q269 L270H135-T234 PolarHBondContact ND1-OG1 2.58Å; T234-N241 WeakPolarHBondContact CG2-ND2 3.49Å; T234-N241 PolarHBondContact OG1-ND2 3.22Å; T234-V244 HydrophobicContact CG2-CG1 4.38Å; T234-F245 HydrophobicContact CG2-CE2 4.43Å; T234-L267 HydrophobicContact CG2-CD1 4.15Å; T234-I268 PolarHBondContact N-O 3.49Å; T234-Q269 HydrophobicContact CG2-CB 4.15Å; T234-Q269 HydrophobicContact CG2-CG 4.28Å; T234-Q269 CarbonylContact O-C 3.23Å; T234-Q269 VanDerWaalsContact O-CA 3.26Å; T234-Q269 WeakPolarHBondContact O-CA 3.34Å; T234-L270 PolarHBondContact O-N 3.05Å
235G94.6Very high94Very high0 Ų030.5 Ų30.50%015%0.15CC..EExtended strand (participates in β ladder)trans-92145.4170.200000110.1H135 L237 A238 N241 L270 V273H135-G235 PolarHBondContact CE1-N 3.38Å; H135-G235 VanDerWaalsContact CE1-N 3.28Å; G235-L237 PolarHBondContact O-N 3.17Å; G235-A238 VanDerWaalsContact O-CB 3.26Å; G235-A238 WeakPolarHBondContact O-CB 3.48Å; G235-A238 PolarHBondContact O-N 2.89Å; G235-N241 PolarHBondContact O-ND2 2.99Å; G235-L270 CarbonylContact C-O 3.58Å; G235-V273 CarbonylContact C-O 3.58Å; G235-V273 WeakPolarHBondContact CA-O 3.49Å
236A92.7Very high93.9Very high33 Ų3332 Ų3227%0.27315%0.152SC..THydrogen-bonded Turntrans-60.5-31.817700000112.6Q269 L270 V273A236-Q269 HydrophobicContact CB-CG 4.17Å; A236-Q269 VanDerWaalsContact CB-NE2 3.28Å; A236-L270 WeakPolarHBondContact CB-O 3.21Å; A236-L270 PolarHBondContact N-O 2.81Å; A236-V273 PolarHBondContact N-O 3.27Å
237L90.5Very high93.9Very high85 Ų8531.8 Ų31.845%0.44515%0.152SC..THydrogen-bonded Turntrans-93.74.3180-53.7179.7000113G235 S239 V273 A274G235-L237 PolarHBondContact O-N 3.17Å; L237-S239 PolarHBondContact O-N 3.23Å; L237-V273 WeakPolarHBondContact CB-O 3.4Å; L237-V273 PolarHBondContact N-O 3.48Å; L237-A274 HydrophobicContact CB-CB 4.15Å
238A90.6Very high94Very high14 Ų1426.2 Ų26.212%0.11613%0.131CC..  trans-65.4131.8179.600000111.1G235 H240 N241 A274G235-A238 VanDerWaalsContact O-CB 3.26Å; G235-A238 WeakPolarHBondContact O-CB 3.48Å; G235-A238 PolarHBondContact O-N 2.89Å; A238-H240 PolarHBondContact O-N 2.83Å; A238-N241 HydrophobicContact CB-CB 4.34Å; A238-N241 VanDerWaalsContact O-CB 3.28Å; A238-N241 WeakPolarHBondContact O-CB 3.47Å; A238-N241 PolarHBondContact O-N 3.34Å; A238-A274 WeakPolarHBondContact CB-O 3.41Å
239S86.1Confident94Very high21 Ų2130.1 Ų30.115%0.14715%0.151CC..THydrogen-bonded Turntrans-47-35.5179.6-83.60000114.7L143 M171 G175 L237L143-S239 WeakPolarHBondContact CD2-OG 3.4Å; M171-S239 PolarHBondContact O-OG 3.27Å; G175-S239 VanDerWaalsContact CA-OG 3.32Å; G175-S239 WeakPolarHBondContact CA-OG 3.22Å; L237-S239 PolarHBondContact O-N 3.23Å
240H85.1Confident93.9Very high29 Ų2929.9 Ų29.913%0.13415%0.151CC..THydrogen-bonded Turntrans-109.615.5-173.1-56.9108.1000113.8T137 G142 H172 A238 H242 T243 V244T137-H240 HydrophobicContact CG2-CB 3.56Å; G142-H240 VanDerWaalsContact C-CD2 3.49Å; H172-H240 AromaticContact CE1-CE1 3.95Å; H172-H240 AromaticContact ND1-CE1 3.27Å; H172-H240 PolarHBondContact ND1-CE1 3.12Å; H172-H240 VanDerWaalsContact ND1-CE1 3.27Å; H172-H240 AromaticContact ND1-ND1 3.79Å; A238-H240 PolarHBondContact O-N 2.83Å; H240-H242 VanDerWaalsContact C-N 3.35Å; H240-H242 PolarHBondContact O-N 3.47Å; H240-T243 WeakPolarHBondContact O-CA 3.37Å; H240-T243 WeakPolarHBondContact O-CB 3.38Å; H240-T243 PolarHBondContact O-N 2.97Å; H240-V244 PolarHBondContact O-N 2.99Å
241N90.3Very high93.8Very high25 Ų2529.8 Ų29.813%0.13415%0.151CC..Hα-helixtrans-50.1-50.2-174.1-179-79.8000112.5T234 G235 A238 T243 V244 F245 Q269T234-N241 WeakPolarHBondContact CG2-ND2 3.49Å; T234-N241 PolarHBondContact OG1-ND2 3.22Å; G235-N241 PolarHBondContact O-ND2 2.99Å; A238-N241 HydrophobicContact CB-CB 4.34Å; A238-N241 VanDerWaalsContact O-CB 3.28Å; A238-N241 WeakPolarHBondContact O-CB 3.47Å; A238-N241 PolarHBondContact O-N 3.34Å; N241-T243 PolarHBondContact O-N 3.23Å; N241-T243 VanDerWaalsContact O-N 3.11Å; N241-V244 WeakPolarHBondContact O-CA 3.38Å; N241-V244 WeakPolarHBondContact O-CB 3.26Å; N241-V244 PolarHBondContact O-N 2.99Å; N241-F245 WeakPolarHBondContact O-CD2 3.43Å; N241-F245 PolarHBondContact O-N 3.21Å; N241-F245 VanDerWaalsContact O-N 3.11Å; N241-F245 WeakPolarHBondContact OD1-CD2 3.48Å; N241-F245 WeakPolarHBondContact OD1-CE2 3.46Å; N241-Q269 PolarHBondContact ND2-OE1 3.39Å
242H90.8Very high93.7Very high97 Ų9732.9 Ų32.945%0.44917%0.167SC..Hα-helixtrans-56.1-32.7178.273.6-82.4000113.9G142 H240 R246G142-H242 PolarHBondContact O-CE1 2.68Å; H240-H242 VanDerWaalsContact C-N 3.35Å; H240-H242 PolarHBondContact O-N 3.47Å; H242-R246 PolarHBondContact O-N 2.88Å; H242-R246 VanDerWaalsContact O-N 3.13Å
243T91.2Very high93.5Very high0 Ų036.8 Ų36.80%019%0.194CC..Hα-helixtrans-79-30.1179.2-69.30000111.7T137 T139 A141 H240 N241 R246 L247T137-T243 HydrophobicContact CG2-CG2 3.84Å; T139-T243 WeakPolarHBondContact OG1-CG2 3.2Å; A141-T243 PolarHBondContact O-OG1 3.48Å; H240-T243 WeakPolarHBondContact O-CA 3.37Å; H240-T243 WeakPolarHBondContact O-CB 3.38Å; H240-T243 PolarHBondContact O-N 2.97Å; N241-T243 PolarHBondContact O-N 3.23Å; N241-T243 VanDerWaalsContact O-N 3.11Å; T243-R246 PolarHBondContact O-N 3.37Å; T243-L247 PolarHBondContact O-N 3.05Å; T243-L247 VanDerWaalsContact O-N 3.09Å
244V94.8Very high93.4Very high0 Ų038.9 Ų38.90%021%0.211CC..Hα-helixtrans-62.2-48.1169.8-176.80000109.8C136 F232 T234 H240 N241 R246 L247 Y248 L267C136-V244 WeakPolarHBondContact O-CG2 3.46Å; F232-V244 HydrophobicContact CD1-CG1 4.33Å; T234-V244 HydrophobicContact CG2-CG1 4.38Å; H240-V244 PolarHBondContact O-N 2.99Å; N241-V244 WeakPolarHBondContact O-CA 3.38Å; N241-V244 WeakPolarHBondContact O-CB 3.26Å; N241-V244 PolarHBondContact O-N 2.99Å; V244-R246 VanDerWaalsContact C-N 3.3Å; V244-R246 PolarHBondContact O-N 2.86Å; V244-L247 PolarHBondContact O-N 3.38Å; V244-L247 VanDerWaalsContact O-N 3.13Å; V244-Y248 PolarHBondContact O-N 3.25Å; V244-L267 HydrophobicContact CG1-CD1 4.16Å
245F95.5Very high93.2Very high66 Ų6639.1 Ų39.129%0.28921%0.213SC..Hα-helixtrans-58.5-40.5175.5-85.2-90.2000112.8T234 N241 L247 Y248 N249 L267T234-F245 HydrophobicContact CG2-CE2 4.43Å; N241-F245 WeakPolarHBondContact O-CD2 3.43Å; N241-F245 PolarHBondContact O-N 3.21Å; N241-F245 VanDerWaalsContact O-N 3.11Å; N241-F245 WeakPolarHBondContact OD1-CD2 3.48Å; N241-F245 WeakPolarHBondContact OD1-CE2 3.46Å; F245-L247 VanDerWaalsContact C-N 3.34Å; F245-L247 PolarHBondContact O-N 3.01Å; F245-Y248 PolarHBondContact O-N 3.08Å; F245-N249 WeakPolarHBondContact O-CB 3.46Å; F245-N249 VanDerWaalsContact O-CG 3.28Å; F245-N249 PolarHBondContact O-N 3Å; F245-N249 PolarHBondContact O-ND2 2.95Å; F245-N249 VanDerWaalsContact O-ND2 3.11Å; F245-L267 HydrophobicContact CD1-CD2 3.51Å; F245-L267 HydrophobicContact CD2-CD2 4.37Å; F245-L267 HydrophobicContact CE1-CD2 3.26Å; F245-L267 HydrophobicContact CE2-CD2 4.13Å; F245-L267 HydrophobicContact CG-CD2 4.08Å; F245-L267 HydrophobicContact CZ-CD2 3.6Å
246R94.8Very high93Very high111 Ų11147.9 Ų47.942%0.41925%0.246SC..Hα-helixtrans-60.7-44.3176.3-171.8-170.4-74.4149.5-3.2111.4T139 L220 H242 T243 V244 A250T139-R246 PolarHBondContact OG1-NH1 3.3Å; T139-R246 VanDerWaalsContact OG1-NH1 3.16Å; L220-R246 HydrophobicContact CD2-CG 4.02Å; H242-R246 PolarHBondContact O-N 2.88Å; H242-R246 VanDerWaalsContact O-N 3.13Å; T243-R246 PolarHBondContact O-N 3.37Å; V244-R246 VanDerWaalsContact C-N 3.3Å; V244-R246 PolarHBondContact O-N 2.86Å; R246-A250 WeakPolarHBondContact O-CB 3.44Å; R246-A250 PolarHBondContact O-N 3.27Å; R246-A250 VanDerWaalsContact O-N 3.13Å
247L95.6Very high93Very high0 Ų053.5 Ų53.50%027%0.271CS..Hα-helixtrans-65.5-48.5176.6177.358.8000111.2C136 I219 L220 V223 F232 T243 V244 F245 N249 A250 V251C136-L247 HydrophobicContact CB-CD2 4.34Å; I219-L247 HydrophobicContact CD1-CD1 3.89Å; I219-L247 HydrophobicContact CD1-CD2 4.08Å; I219-L247 HydrophobicContact CG1-CD1 4.18Å; L220-L247 HydrophobicContact CD1-CD1 4.26Å; V223-L247 HydrophobicContact CG1-CD1 3.93Å; F232-L247 HydrophobicContact CE1-CD2 3.85Å; F232-L247 HydrophobicContact CE1-CG 3.95Å; F232-L247 HydrophobicContact CZ-CD2 4.44Å; F232-L247 HydrophobicContact CZ-CG 4.17Å; T243-L247 PolarHBondContact O-N 3.05Å; T243-L247 VanDerWaalsContact O-N 3.09Å; V244-L247 PolarHBondContact O-N 3.38Å; V244-L247 VanDerWaalsContact O-N 3.13Å; F245-L247 VanDerWaalsContact C-N 3.34Å; F245-L247 PolarHBondContact O-N 3.01Å; L247-N249 PolarHBondContact O-N 2.81Å; L247-A250 WeakPolarHBondContact O-CB 3.23Å; L247-A250 PolarHBondContact O-N 2.71Å; L247-A250 VanDerWaalsContact O-N 3.12Å; L247-V251 HydrophobicContact CD1-CG2 4.17Å; L247-V251 WeakPolarHBondContact O-CG2 3.49Å; L247-V251 PolarHBondContact O-N 2.9Å
248Y96.9Very high93.1Very high43 Ų4351.9 Ų51.917%0.16926%0.263CS..Hα-helixtrans-53.5-50.3176.7165.8-107.8000112.1F232 V244 F245 A250 V251 L252 V265 L267F232-Y248 AromaticContact CD2-CD2 3.73Å; F232-Y248 HydrophobicContact CD2-CD2 3.73Å; F232-Y248 HydrophobicContact CD2-CG 4.47Å; F232-Y248 HydrophobicContact CE2-CD2 4.12Å; F232-Y248 HydrophobicContact CG-CD2 4.48Å; V244-Y248 PolarHBondContact O-N 3.25Å; F245-Y248 PolarHBondContact O-N 3.08Å; Y248-A250 VanDerWaalsContact C-N 3.29Å; Y248-A250 PolarHBondContact O-N 3.19Å; Y248-V251 PolarHBondContact O-N 2.98Å; Y248-L252 HydrophobicContact CE1-CD2 4.2Å; Y248-L252 WeakPolarHBondContact O-CB 3.2Å; Y248-L252 PolarHBondContact O-N 2.93Å; Y248-V265 HydrophobicContact CD2-CG1 4Å; Y248-V265 HydrophobicContact CE2-CG1 3.91Å; Y248-L267 HydrophobicContact CD1-CB 4.04Å; Y248-L267 HydrophobicContact CD1-CD2 3.69Å; Y248-L267 HydrophobicContact CD1-CG 4.48Å; Y248-L267 HydrophobicContact CD2-CB 3.66Å; Y248-L267 HydrophobicContact CE1-CB 4.02Å; Y248-L267 HydrophobicContact CE1-CD2 4.13Å; Y248-L267 HydrophobicContact CE2-CB 3.63Å; Y248-L267 HydrophobicContact CG-CB 3.84Å; Y248-L267 HydrophobicContact CG-CD2 3.95Å; Y248-L267 HydrophobicContact CG-CG 4.38Å
249N96.2Very high93Very high85 Ų8556.2 Ų56.246%0.45529%0.29SS..Hα-helixtrans-62.6-36.6179.1-73.6-35.4000112.2F245 L247 S253F245-N249 WeakPolarHBondContact O-CB 3.46Å; F245-N249 VanDerWaalsContact O-CG 3.28Å; F245-N249 PolarHBondContact O-N 3Å; F245-N249 PolarHBondContact O-ND2 2.95Å; F245-N249 VanDerWaalsContact O-ND2 3.11Å; L247-N249 PolarHBondContact O-N 2.81Å; N249-S253 WeakPolarHBondContact O-CB 3.47Å; N249-S253 PolarHBondContact O-N 2.9Å; N249-S253 PolarHBondContact O-OG 3.25Å
250A95.9Very high93.1Very high16 Ų1660.5 Ų60.513%0.13231%0.312CS..Hα-helixtrans-64.2-48.2175.200000111.2L220 V223 R246 L247 Y248 S253 A254L220-A250 HydrophobicContact CG-CB 4.24Å; V223-A250 HydrophobicContact CG2-CB 4.21Å; R246-A250 WeakPolarHBondContact O-CB 3.44Å; R246-A250 PolarHBondContact O-N 3.27Å; R246-A250 VanDerWaalsContact O-N 3.13Å; L247-A250 WeakPolarHBondContact O-CB 3.23Å; L247-A250 PolarHBondContact O-N 2.71Å; L247-A250 VanDerWaalsContact O-N 3.12Å; Y248-A250 VanDerWaalsContact C-N 3.29Å; Y248-A250 PolarHBondContact O-N 3.19Å; A250-S253 PolarHBondContact O-N 3.37Å; A250-S253 PolarHBondContact O-OG 3.34Å; A250-A254 PolarHBondContact O-N 2.79Å
251V96.5Very high93.5Very high0 Ų059.4 Ų59.40%031%0.307CS..Hα-helixtrans-61-48.4176.6-179.60000110.7V223 I226 F232 L247 Y248 S253 A254 V255 V265V223-V251 HydrophobicContact CB-CG2 4.04Å; V223-V251 HydrophobicContact CG1-CG2 4.01Å; I226-V251 HydrophobicContact CD1-CG1 4.19Å; I226-V251 HydrophobicContact CD1-CG2 3.77Å; F232-V251 HydrophobicContact CE2-CG2 4.45Å; F232-V251 HydrophobicContact CZ-CG2 4.03Å; L247-V251 HydrophobicContact CD1-CG2 4.17Å; L247-V251 WeakPolarHBondContact O-CG2 3.49Å; L247-V251 PolarHBondContact O-N 2.9Å; Y248-V251 PolarHBondContact O-N 2.98Å; V251-S253 VanDerWaalsContact C-N 3.27Å; V251-S253 PolarHBondContact O-N 3.23Å; V251-A254 PolarHBondContact O-N 3.47Å; V251-A254 VanDerWaalsContact O-N 3.07Å; V251-V255 HydrophobicContact CG1-CG1 4.49Å; V251-V255 WeakPolarHBondContact O-CG2 3.43Å; V251-V255 PolarHBondContact O-N 3.08Å; V251-V265 HydrophobicContact CB-CG1 4.45Å; V251-V265 HydrophobicContact CG1-CG1 3.97Å; V251-V265 HydrophobicContact CG1-CG2 4.06Å
252L95.6Very high93.4Very high66 Ų6664.4 Ų64.435%0.34633%0.329SS..Hα-helixtrans-57.7-40.3178.8-175.165.4000111.8Y248 R256Y248-L252 HydrophobicContact CE1-CD2 4.2Å; Y248-L252 WeakPolarHBondContact O-CB 3.2Å; Y248-L252 PolarHBondContact O-N 2.93Å; L252-R256 PolarHBondContact O-N 3.22Å
253S95.5Very high93.3Very high82 Ų8262.6 Ų62.657%0.57334%0.337SS*.Hα-helixtrans-67-37.7176.574.70000112.9N249 A250 V251 R256N249-S253 WeakPolarHBondContact O-CB 3.47Å; N249-S253 PolarHBondContact O-N 2.9Å; N249-S253 PolarHBondContact O-OG 3.25Å; A250-S253 PolarHBondContact O-N 3.37Å; A250-S253 PolarHBondContact O-OG 3.34Å; V251-S253 VanDerWaalsContact C-N 3.27Å; V251-S253 PolarHBondContact O-N 3.23Å; S253-R256 WeakPolarHBondContact O-CB 3.46Å
254A94.5Very high93.5Very high43 Ų4367.4 Ų67.436%0.35536%0.358SS..Hα-helixtrans-71.3-37.6-178.800000112.2V223 D224 A250 V251V223-A254 HydrophobicContact CG2-CB 3.94Å; D224-A254 HydrophobicContact CB-CB 4.33Å; A250-A254 PolarHBondContact O-N 2.79Å; V251-A254 PolarHBondContact O-N 3.47Å; V251-A254 VanDerWaalsContact O-N 3.07Å
255V93.4Very high93.6Very high6 Ų667.7 Ų67.74%0.03636%0.36CS..THydrogen-bonded Turntrans-91.12.4-179.8-52.90000113.9V251 N257 D258 L261 V265V251-V255 HydrophobicContact CG1-CG1 4.49Å; V251-V255 WeakPolarHBondContact O-CG2 3.43Å; V251-V255 PolarHBondContact O-N 3.08Å; V255-N257 PolarHBondContact O-N 2.98Å; V255-N257 VanDerWaalsContact O-N 3.08Å; V255-D258 PolarHBondContact O-N 3.47Å; V255-L261 HydrophobicContact CB-CB 3.99Å; V255-L261 HydrophobicContact CB-CD1 4.44Å; V255-L261 HydrophobicContact CG1-CB 4.31Å; V255-L261 HydrophobicContact CG1-CD1 3.95Å; V255-L261 HydrophobicContact CG2-CB 4.42Å; V255-V265 HydrophobicContact CG2-CB 4.49Å; V255-V265 HydrophobicContact CG2-CG2 3.82Å
256R91.5Very high93.7Very high183 Ų18369.3 Ų69.369%0.69137%0.368SS*.THydrogen-bonded Turntrans-53.7-35.4-173.3-175.5179.4-178.1-172.21.6113.8L252 S253L252-R256 PolarHBondContact O-N 3.22Å; S253-R256 WeakPolarHBondContact O-CB 3.46Å
257N91Very high93.8Very high151 Ų15165.7 Ų65.781%0.80736%0.357SS*.THydrogen-bonded Turntrans-100.92.4-178.2-63-26.8000113.2V255 P259V255-N257 PolarHBondContact O-N 2.98Å; V255-N257 VanDerWaalsContact O-N 3.08Å; N257-P259 VanDerWaalsContact O-CD 3.31Å; N257-P259 WeakPolarHBondContact O-CD 3.4Å
258D92.6Very high93.9Very high51 Ų5168.1 Ų68.127%0.27337%0.369SS..  trans-86.8109.1176.4-173.3-24.4000109.5V255 N260 L261 Q262V255-D258 PolarHBondContact O-N 3.47Å; D258-N260 PolarHBondContact O-N 2.96Å; D258-N260 VanDerWaalsContact O-N 3.13Å; D258-N260 WeakPolarHBondContact OD1-CB 2.82Å; D258-N260 PolarHBondContact OD1-N 3.45Å; D258-N260 PolarHBondContact OD1-ND2 2.87Å; D258-L261 HydrophobicContact CB-CB 4.21Å; D258-L261 PolarHBondContact O-N 3.23Å; D258-L261 VanDerWaalsContact O-N 3.16Å; D258-L261 WeakPolarHBondContact OD2-CD1 3.41Å; D258-Q262 VanDerWaalsContact O-CB 3.27Å; D258-Q262 WeakPolarHBondContact O-CB 3.28Å; D258-Q262 PolarHBondContact O-N 3.41Å
259P90.3Very high94Very high106 Ų10669.5 Ų69.569%0.68838%0.377SS*.THydrogen-bonded Turntrans-64.2-19.1-177.927.9-35.8000113.4N257N257-P259 VanDerWaalsContact O-CD 3.31Å; N257-P259 WeakPolarHBondContact O-CD 3.4Å
260N88.2Confident94Very high111 Ų11166.2 Ų66.259%0.59436%0.36SS*.THydrogen-bonded Turntrans-84.1-23.2179.4-59.1-61.7000112.8D258 K264D258-N260 PolarHBondContact O-N 2.96Å; D258-N260 VanDerWaalsContact O-N 3.13Å; D258-N260 WeakPolarHBondContact OD1-CB 2.82Å; D258-N260 PolarHBondContact OD1-N 3.45Å; D258-N260 PolarHBondContact OD1-ND2 2.87Å; N260-K264 VanDerWaalsContact O-CD 3.27Å; N260-K264 WeakPolarHBondContact O-CD 3.41Å; N260-K264 WeakPolarHBondContact O-CE 3.38Å; N260-K264 PolarHBondContact O-NZ 3.1Å
261L91.7Very high93.8Very high6 Ų670.6 Ų70.63%0.03138%0.381CS..THydrogen-bonded Turntrans-116.8-14.9-174.5-62.5177.5000113.6C228 V255 D258 G263 K264C228-L261 VanDerWaalsContact C-CD2 3.42Å; V255-L261 HydrophobicContact CB-CB 3.99Å; V255-L261 HydrophobicContact CB-CD1 4.44Å; V255-L261 HydrophobicContact CG1-CB 4.31Å; V255-L261 HydrophobicContact CG1-CD1 3.95Å; V255-L261 HydrophobicContact CG2-CB 4.42Å; D258-L261 HydrophobicContact CB-CB 4.21Å; D258-L261 PolarHBondContact O-N 3.23Å; D258-L261 VanDerWaalsContact O-N 3.16Å; D258-L261 WeakPolarHBondContact OD2-CD1 3.41Å; L261-G263 PolarHBondContact O-N 3.26Å; L261-K264 PolarHBondContact O-N 3.01Å
262Q88.4Confident93.5Very high129 Ų12976.8 Ų76.860%0.60341%0.414SS*.THydrogen-bonded Turntrans-54.9122.7172.6-173.7178.539.300109.6D258 K264D258-Q262 VanDerWaalsContact O-CB 3.27Å; D258-Q262 WeakPolarHBondContact O-CB 3.28Å; D258-Q262 PolarHBondContact O-N 3.41Å; Q262-K264 VanDerWaalsContact C-N 3.3Å; Q262-K264 PolarHBondContact O-N 2.83Å
263G90.1Very high93.3Very high60 Ų6073.8 Ų73.862%0.61940%0.399SS*.THydrogen-bonded Turntrans77.27.4-17700000115.4L261L261-G263 PolarHBondContact O-N 3.26Å
264K94.7Very high93.1Very high100 Ų10069.9 Ų69.944%0.43537%0.371SS..  trans-110.810.8175.3-57.2-168.7-172.5160.30113.8P229 V230 N260 L261 Q262P229-K264 CarbonylContact C-O 3.53Å; P229-K264 VanDerWaalsContact CA-O 3.29Å; P229-K264 WeakPolarHBondContact CA-O 3.48Å; P229-K264 HydrophobicContact CB-CB 3.97Å; P229-K264 HydrophobicContact CG-CB 4.05Å; P229-K264 HydrophobicContact CG-CD 3.77Å; V230-K264 PolarHBondContact N-O 3.38Å; N260-K264 VanDerWaalsContact O-CD 3.27Å; N260-K264 WeakPolarHBondContact O-CD 3.41Å; N260-K264 WeakPolarHBondContact O-CE 3.38Å; N260-K264 PolarHBondContact O-NZ 3.1Å; L261-K264 PolarHBondContact O-N 3.01Å; Q262-K264 VanDerWaalsContact C-N 3.3Å; Q262-K264 PolarHBondContact O-N 2.83Å
265V96.9Very high93Very high7 Ų767.9 Ų67.94%0.04235%0.354CS..EExtended strand (participates in β ladder)trans-112.4112.2171.4177.30000107.1V230 F232 Y248 V251 V255V230-V265 HydrophobicContact CB-CG1 4.44Å; V230-V265 HydrophobicContact CB-CG2 4.34Å; V230-V265 HydrophobicContact CG2-CG2 4.46Å; V230-V265 CarbonylContact O-C 3.52Å; V230-V265 WeakPolarHBondContact O-CA 3.26Å; F232-V265 HydrophobicContact CD2-CG1 4.43Å; F232-V265 HydrophobicContact CE2-CG1 4.08Å; Y248-V265 HydrophobicContact CD2-CG1 4Å; Y248-V265 HydrophobicContact CE2-CG1 3.91Å; V251-V265 HydrophobicContact CB-CG1 4.45Å; V251-V265 HydrophobicContact CG1-CG1 3.97Å; V251-V265 HydrophobicContact CG1-CG2 4.06Å; V255-V265 HydrophobicContact CG2-CB 4.49Å; V255-V265 HydrophobicContact CG2-CG2 3.82Å
266E97.1Very high93.1Very high100 Ų10067.6 Ų67.647%0.46735%0.353SS..EExtended strand (participates in β ladder)trans-124.1148.3-172.1-66.1178.8-168.100110.5V230 L231 F232V230-E266 PolarHBondContact O-N 3.03Å; L231-E266 HydrophobicContact CD1-CB 4.21Å; F232-E266 PolarHBondContact N-O 2.95Å
267L97.9Very high93.2Very high35 Ų3559.3 Ų59.318%0.18332%0.322CS..EExtended strand (participates in β ladder)trans-127.2123172.8174.671000108.9F232 T234 V244 F245 Y248F232-L267 HydrophobicContact CB-CB 4.26Å; F232-L267 HydrophobicContact CB-CD1 3.35Å; F232-L267 HydrophobicContact CB-CG 4.4Å; F232-L267 HydrophobicContact CG-CD1 4.39Å; F232-L267 WeakPolarHBondContact O-CA 3.3Å; T234-L267 HydrophobicContact CG2-CD1 4.15Å; V244-L267 HydrophobicContact CG1-CD1 4.16Å; F245-L267 HydrophobicContact CD1-CD2 3.51Å; F245-L267 HydrophobicContact CD2-CD2 4.37Å; F245-L267 HydrophobicContact CE1-CD2 3.26Å; F245-L267 HydrophobicContact CE2-CD2 4.13Å; F245-L267 HydrophobicContact CG-CD2 4.08Å; F245-L267 HydrophobicContact CZ-CD2 3.6Å; Y248-L267 HydrophobicContact CD1-CB 4.04Å; Y248-L267 HydrophobicContact CD1-CD2 3.69Å; Y248-L267 HydrophobicContact CD1-CG 4.48Å; Y248-L267 HydrophobicContact CD2-CB 3.66Å; Y248-L267 HydrophobicContact CE1-CB 4.02Å; Y248-L267 HydrophobicContact CE1-CD2 4.13Å; Y248-L267 HydrophobicContact CE2-CB 3.63Å; Y248-L267 HydrophobicContact CG-CB 3.84Å; Y248-L267 HydrophobicContact CG-CD2 3.95Å; Y248-L267 HydrophobicContact CG-CG 4.38Å
268I98Very high93.2Very high50 Ų5053.8 Ų53.826%0.25630%0.296SS..EExtended strand (participates in β ladder)trans-111.6117.3172.8-61.9177.1000107.9L231 F232 L233 T234 L270 S287L231-I268 HydrophobicContact CD1-CD1 3.85Å; L231-I268 HydrophobicContact CD1-CG1 4.05Å; F232-I268 PolarHBondContact O-N 2.89Å; L233-I268 WeakPolarHBondContact CA-O 3.49Å; L233-I268 HydrophobicContact CD2-CB 3.8Å; L233-I268 HydrophobicContact CD2-CD1 4.47Å; L233-I268 HydrophobicContact CD2-CG2 4.03Å; T234-I268 PolarHBondContact N-O 3.49Å; I268-L270 HydrophobicContact CG2-CD2 3.87Å; I268-S287 WeakPolarHBondContact CD1-OG 3.4Å
269Q97.7Very high93.2Very high72 Ų7253 Ų5334%0.33629%0.29SS..EExtended strand (participates in β ladder)trans-100.5126.4169.2177.8177.7-49.800109.3T234 A236 N241T234-Q269 HydrophobicContact CG2-CB 4.15Å; T234-Q269 HydrophobicContact CG2-CG 4.28Å; T234-Q269 CarbonylContact O-C 3.23Å; T234-Q269 VanDerWaalsContact O-CA 3.26Å; T234-Q269 WeakPolarHBondContact O-CA 3.34Å; A236-Q269 HydrophobicContact CB-CG 4.17Å; A236-Q269 VanDerWaalsContact CB-NE2 3.28Å; N241-Q269 PolarHBondContact ND2-OE1 3.39Å
270L96.2Very high93.4Very high16 Ų1650.2 Ų50.28%0.08427%0.268CS..EExtended strand (participates in β ladder)trans-93.9129.7172.6-56.3-175.1000109.9T234 G235 A236 I268 V273 V276 Q280 K283T234-L270 PolarHBondContact O-N 3.05Å; G235-L270 CarbonylContact C-O 3.58Å; A236-L270 WeakPolarHBondContact CB-O 3.21Å; A236-L270 PolarHBondContact N-O 2.81Å; I268-L270 HydrophobicContact CG2-CD2 3.87Å; L270-V273 HydrophobicContact CB-CB 4.49Å; L270-V276 HydrophobicContact CB-CG1 4.16Å; L270-V276 HydrophobicContact CD1-CB 3.88Å; L270-V276 HydrophobicContact CD1-CG1 3.74Å; L270-V276 HydrophobicContact CG-CG1 4.08Å; L270-Q280 HydrophobicContact CD1-CB 3.93Å; L270-K283 HydrophobicContact CD1-CB 3.71Å; L270-K283 HydrophobicContact CD1-CG 4.38Å; L270-K283 HydrophobicContact CD2-CB 4.01Å; L270-K283 HydrophobicContact CD2-CG 4.39Å
271D92.8Very high93.7Very high108 Ų10845.7 Ų45.758%0.57825%0.245SC*.THydrogen-bonded Turntrans-74.6150.5-178.5-65.2-40.2000112V273D271-V273 PolarHBondContact O-N 3.24Å; D271-V273 VanDerWaalsContact O-N 3.07Å
272N89.6Confident93.9Very high130 Ų13048.9 Ų48.970%0.69526%0.259SS*.THydrogen-bonded Turntrans5522.5176.9-57.5-30000115.7
273V91Very high94.3Very high4 Ų446.3 Ų46.32%0.02425%0.246CC..  trans-123.2141.3-178.9167.40000110.6G235 A236 L237 L270 D271 V276 E279 Q280G235-V273 CarbonylContact C-O 3.58Å; G235-V273 WeakPolarHBondContact CA-O 3.49Å; A236-V273 PolarHBondContact N-O 3.27Å; L237-V273 WeakPolarHBondContact CB-O 3.4Å; L237-V273 PolarHBondContact N-O 3.48Å; L270-V273 HydrophobicContact CB-CB 4.49Å; D271-V273 PolarHBondContact O-N 3.24Å; D271-V273 VanDerWaalsContact O-N 3.07Å; V273-V276 HydrophobicContact CG1-CB 4.44Å; V273-V276 HydrophobicContact CG1-CG1 3.93Å; V273-E279 WeakPolarHBondContact CA-OE2 3.4Å; V273-E279 HydrophobicContact CB-CB 4.5Å; V273-E279 HydrophobicContact CG1-CB 3.77Å; V273-E279 HydrophobicContact CG1-CG 4.32Å; V273-E279 HydrophobicContact CG2-CB 4.07Å; V273-Q280 HydrophobicContact CG2-CG 3.75Å
274A90.6Very high94.6Very high0 Ų043.5 Ų43.50%022%0.217CC..SBendtrans-94.9-53.5170.400000112H135 F174 A177 L237 A238 E279H135-A274 PolarHBondContact CE1-O 3.21Å; H135-A274 PolarHBondContact NE2-O 2.86Å; F174-A274 WeakPolarHBondContact O-CB 3.3Å; A177-A274 HydrophobicContact CB-CB 4.29Å; L237-A274 HydrophobicContact CB-CB 4.15Å; A238-A274 WeakPolarHBondContact CB-O 3.41Å; A274-E279 PolarHBondContact N-OE1 3.02Å; A274-E279 VanDerWaalsContact N-OE1 3.09Å; A274-E279 PolarHBondContact N-OE2 3.12Å
275N93Very high94.7Very high0 Ų038.8 Ų38.80%020%0.197CC..  trans-110.3106.2178.6-171.6-75.3000111.1E110 F174 L277 S278 E279E110-N275 PolarHBondContact OE1-ND2 2.96Å; F174-N275 HydrophobicContact CD1-CB 3.98Å; F174-N275 HydrophobicContact CE1-CB 4.08Å; N275-L277 VanDerWaalsContact C-N 3.34Å; N275-L277 PolarHBondContact O-N 3Å; N275-L277 PolarHBondContact OD1-N 3.16Å; N275-S278 PolarHBondContact O-N 2.95Å; N275-S278 WeakPolarHBondContact OD1-CB 3.22Å; N275-S278 PolarHBondContact OD1-N 3.41Å; N275-S278 PolarHBondContact OD1-OG 3.38Å; N275-E279 PolarHBondContact N-OE1 3.42Å; N275-E279 WeakPolarHBondContact O-CB 3.43Å; N275-E279 WeakPolarHBondContact O-CG 3.26Å; N275-E279 PolarHBondContact O-N 3.47Å
276V95Very high94.6Very high0 Ų040.1 Ų40.10%020%0.203CC..Hα-helixtrans-68.7-29.6-172.8-59.70000113.9I134 H135 L233 L270 V273 S278 Q280 V284I134-V276 HydrophobicContact CG2-CG2 3.38Å; H135-V276 PolarHBondContact NE2-N 2.86Å; L233-V276 HydrophobicContact CB-CG2 4.41Å; L270-V276 HydrophobicContact CB-CG1 4.16Å; L270-V276 HydrophobicContact CD1-CB 3.88Å; L270-V276 HydrophobicContact CD1-CG1 3.74Å; L270-V276 HydrophobicContact CG-CG1 4.08Å; V273-V276 HydrophobicContact CG1-CB 4.44Å; V273-V276 HydrophobicContact CG1-CG1 3.93Å; V276-S278 VanDerWaalsContact C-N 3.35Å; V276-Q280 CarbonylContact O-C 3.56Å; V276-Q280 VanDerWaalsContact O-C 3.23Å; V276-Q280 PolarHBondContact O-N 3.34Å; V276-V284 HydrophobicContact CB-CG2 3.82Å; V276-V284 HydrophobicContact CG2-CG2 3.78Å; V276-V284 WeakPolarHBondContact O-CG2 3.4Å
277L94.6Very high94.6Very high9 Ų936 Ų365%0.04719%0.185CC..Hα-helixtrans-70.5-34.1178.5-74.2-171.8000112.5F47 F108 E110 I134 N275 V284F47-L277 HydrophobicContact CD1-CD2 4.22Å; F47-L277 HydrophobicContact CD2-CD2 3.74Å; F47-L277 HydrophobicContact CE1-CD2 4.39Å; F47-L277 HydrophobicContact CE2-CD2 3.94Å; F47-L277 HydrophobicContact CG-CD2 3.9Å; F47-L277 HydrophobicContact CZ-CD2 4.26Å; F108-L277 HydrophobicContact CE1-CD1 4.48Å; F108-L277 HydrophobicContact CE1-CD2 4.47Å; F108-L277 HydrophobicContact CZ-CD2 4.02Å; E110-L277 HydrophobicContact CB-CD1 4.46Å; E110-L277 WeakPolarHBondContact OE2-CD1 3.2Å; I134-L277 HydrophobicContact CD1-CD1 4.05Å; I134-L277 HydrophobicContact CD1-CD2 3.56Å; I134-L277 HydrophobicContact CD1-CG 3.81Å; N275-L277 VanDerWaalsContact C-N 3.34Å; N275-L277 PolarHBondContact O-N 3Å; N275-L277 PolarHBondContact OD1-N 3.16Å; L277-V284 HydrophobicContact CD2-CB 4.37Å; L277-V284 HydrophobicContact CD2-CG1 3.8Å; L277-V284 HydrophobicContact CD2-CG2 4.36Å
278S91.1Very high94.5Very high36 Ų3634.4 Ų34.425%0.25218%0.176SC..Hα-helixtrans-92.1-33.8-174.7-47.50000112.7N275 V276N275-S278 PolarHBondContact O-N 2.95Å; N275-S278 WeakPolarHBondContact OD1-CB 3.22Å; N275-S278 PolarHBondContact OD1-N 3.41Å; N275-S278 PolarHBondContact OD1-OG 3.38Å; V276-S278 VanDerWaalsContact C-N 3.35Å
279E92.1Very high94.3Very high33 Ų3332.6 Ų32.615%0.15417%0.167CC..Hα-helixtrans-98.2-31.7-172.9-62.2171.2-123.500113.5V186 V273 A274 N275V186-E279 HydrophobicContact CG2-CG 4.28Å; V273-E279 WeakPolarHBondContact CA-OE2 3.4Å; V273-E279 HydrophobicContact CB-CB 4.5Å; V273-E279 HydrophobicContact CG1-CB 3.77Å; V273-E279 HydrophobicContact CG1-CG 4.32Å; V273-E279 HydrophobicContact CG2-CB 4.07Å; A274-E279 PolarHBondContact N-OE1 3.02Å; A274-E279 VanDerWaalsContact N-OE1 3.09Å; A274-E279 PolarHBondContact N-OE2 3.12Å; N275-E279 PolarHBondContact N-OE1 3.42Å; N275-E279 WeakPolarHBondContact O-CB 3.43Å; N275-E279 WeakPolarHBondContact O-CG 3.26Å; N275-E279 PolarHBondContact O-N 3.47Å
280Q93.8Very high94.1Very high49 Ų4934 Ų3423%0.22917%0.172CC..  trans-137.656.6178.4-72.6-173.64.800112.5L270 V273 V276 E282 K283 V284L270-Q280 HydrophobicContact CD1-CB 3.93Å; V273-Q280 HydrophobicContact CG2-CG 3.75Å; V276-Q280 CarbonylContact O-C 3.56Å; V276-Q280 VanDerWaalsContact O-C 3.23Å; V276-Q280 PolarHBondContact O-N 3.34Å; Q280-E282 VanDerWaalsContact C-OE2 3.28Å; Q280-E282 WeakPolarHBondContact CA-OE2 3.47Å; Q280-E282 PolarHBondContact O-N 2.67Å; Q280-E282 VanDerWaalsContact O-N 3.15Å; Q280-K283 HydrophobicContact CB-CB 4.24Å; Q280-K283 HydrophobicContact CB-CG 4.11Å; Q280-K283 PolarHBondContact O-N 2.65Å; Q280-K283 VanDerWaalsContact O-N 3.08Å; Q280-V284 PolarHBondContact O-N 2.99Å
281P95.1Very high94.1Very high16 Ų1634.1 Ų34.110%0.10417%0.172CC..Hα-helixtrans-57.4-30.1-179.224.9-35.2000113F47 H50 V284 A285F47-P281 HydrophobicContact CD2-CB 3.9Å; F47-P281 HydrophobicContact CE2-CB 4.03Å; H50-P281 HydrophobicContact CB-CB 4.38Å; P281-V284 PolarHBondContact O-N 2.62Å; P281-A285 VanDerWaalsContact O-CB 3.27Å; P281-A285 WeakPolarHBondContact O-CB 3.34Å; P281-A285 PolarHBondContact O-N 3.25Å
282E95.9Very high94.1Very high72 Ų7229.1 Ų29.134%0.33615%0.145SC..Hα-helixtrans-65.3-37.5177.174.7-65.5159.700113.3S52 Q280 E286S52-E282 WeakPolarHBondContact OG-CB 2.98Å; Q280-E282 VanDerWaalsContact C-OE2 3.28Å; Q280-E282 WeakPolarHBondContact CA-OE2 3.47Å; Q280-E282 PolarHBondContact O-N 2.67Å; Q280-E282 VanDerWaalsContact O-N 3.15Å; E282-E286 WeakPolarHBondContact O-CB 3.23Å; E282-E286 PolarHBondContact O-N 3.18Å
283K96.9Very high94.1Very high76 Ų7625.8 Ų25.833%0.3313%0.126SC..Hα-helixtrans-72.4-37.6175.7-63.3-61.1-176.5179.60111.7L270 Q280 E286 S287L270-K283 HydrophobicContact CD1-CB 3.71Å; L270-K283 HydrophobicContact CD1-CG 4.38Å; L270-K283 HydrophobicContact CD2-CB 4.01Å; L270-K283 HydrophobicContact CD2-CG 4.39Å; Q280-K283 HydrophobicContact CB-CB 4.24Å; Q280-K283 HydrophobicContact CB-CG 4.11Å; Q280-K283 PolarHBondContact O-N 2.65Å; Q280-K283 VanDerWaalsContact O-N 3.08Å; K283-E286 PolarHBondContact O-N 2.79Å; K283-S287 WeakPolarHBondContact O-CB 3.33Å; K283-S287 PolarHBondContact O-N 3.19Å; K283-S287 PolarHBondContact O-OG 3.41Å
284V97.5Very high94.1Very high0 Ų029 Ų290%016%0.159CC..Hα-helixtrans-65.4-44174.2-179.70000110.4F47 F108 I134 L233 V276 L277 Q280 P281 E286 S287 L288F47-V284 HydrophobicContact CE2-CB 3.95Å; F47-V284 HydrophobicContact CE2-CG1 3.96Å; F47-V284 HydrophobicContact CZ-CB 4.13Å; F47-V284 HydrophobicContact CZ-CG1 3.7Å; F108-V284 HydrophobicContact CZ-CG1 4.49Å; I134-V284 HydrophobicContact CD1-CG1 4.29Å; L233-V284 HydrophobicContact CD1-CG1 3.93Å; V276-V284 HydrophobicContact CB-CG2 3.82Å; V276-V284 HydrophobicContact CG2-CG2 3.78Å; V276-V284 WeakPolarHBondContact O-CG2 3.4Å; L277-V284 HydrophobicContact CD2-CB 4.37Å; L277-V284 HydrophobicContact CD2-CG1 3.8Å; L277-V284 HydrophobicContact CD2-CG2 4.36Å; Q280-V284 PolarHBondContact O-N 2.99Å; P281-V284 PolarHBondContact O-N 2.62Å; V284-E286 PolarHBondContact O-N 2.86Å; V284-S287 PolarHBondContact O-N 2.84Å; V284-L288 WeakPolarHBondContact O-CB 3.35Å; V284-L288 PolarHBondContact O-N 3.02Å
285A96.5Very high94.1Very high2 Ų230.9 Ų30.92%0.01717%0.169CC..Hα-helixtrans-60.3-43.9176.500000112.3M53 P281 Q289M53-A285 HydrophobicContact CG-CB 3.99Å; M53-A285 HydrophobicContact SD-CB 3.42Å; M53-A285 WeakPolarHBondContact SD-CB 3.43Å; P281-A285 VanDerWaalsContact O-CB 3.27Å; P281-A285 WeakPolarHBondContact O-CB 3.34Å; P281-A285 PolarHBondContact O-N 3.25Å; A285-Q289 WeakPolarHBondContact O-CB 3.34Å; A285-Q289 PolarHBondContact O-N 3.15Å
286E95.2Very high93.9Very high35 Ų3533.8 Ų33.816%0.16420%0.199CC..Hα-helixtrans-62.2-48.2175.8178.3171.1-152.400111.6E282 K283 V284 L288 Q289 F290 R305E282-E286 WeakPolarHBondContact O-CB 3.23Å; E282-E286 PolarHBondContact O-N 3.18Å; K283-E286 PolarHBondContact O-N 2.79Å; V284-E286 PolarHBondContact O-N 2.86Å; E286-L288 VanDerWaalsContact C-N 3.34Å; E286-L288 PolarHBondContact O-N 2.87Å; E286-Q289 WeakPolarHBondContact O-CB 3.29Å; E286-Q289 PolarHBondContact O-N 3.17Å; E286-F290 HydrophobicContact CG-CD2 3.96Å; E286-F290 HydrophobicContact CG-CE2 3.43Å; E286-F290 VanDerWaalsContact CG-CE2 3.43Å; E286-F290 HydrophobicContact CG-CZ 4.22Å; E286-F290 VanDerWaalsContact O-CD2 3.27Å; E286-F290 WeakPolarHBondContact O-CD2 3.31Å; E286-F290 PolarHBondContact O-N 3.12Å; E286-F290 VanDerWaalsContact O-N 3.09Å; E286-R305 VanDerWaalsContact CD-NH2 3.31Å; E286-R305 WeakPolarHBondContact OE1-CD 3.46Å; E286-R305 IonicContact OE1-CZ 2.92Å; E286-R305 IonicContact OE1-NE 2.96Å; E286-R305 PolarHBondContact OE1-NE 3.39Å; E286-R305 IonicContact OE1-NH1 3.52Å; E286-R305 IonicContact OE1-NH2 3.07Å; E286-R305 PolarHBondContact OE1-NH2 3.34Å; E286-R305 IonicContact OE2-CZ 3.46Å; E286-R305 IonicContact OE2-NE 3.74Å; E286-R305 IonicContact OE2-NH2 2.74Å; E286-R305 PolarHBondContact OE2-NH2 2.93Å
287S96.6Very high93.1Very high14 Ų1436.8 Ų36.810%0.09822%0.215CC..Hα-helixtrans-61.8-43.3178.9-56.10000111.8I268 K283 V284 Q289 F290 F291I268-S287 WeakPolarHBondContact CD1-OG 3.4Å; K283-S287 WeakPolarHBondContact O-CB 3.33Å; K283-S287 PolarHBondContact O-N 3.19Å; K283-S287 PolarHBondContact O-OG 3.41Å; V284-S287 PolarHBondContact O-N 2.84Å; S287-Q289 VanDerWaalsContact C-N 3.35Å; S287-Q289 PolarHBondContact O-N 3.41Å; S287-F290 PolarHBondContact O-N 3.4Å; S287-F291 WeakPolarHBondContact O-CB 3.44Å; S287-F291 PolarHBondContact O-N 3.02Å
288L96Very high91.8Very high0 Ų036.9 Ų36.90%022%0.217CC..Hα-helixtrans-61.9-42.3175.1177.464.5000111.4F31 M53 L56 W62 F108 V132 V284 E286 F290 F291 I292F31-L288 HydrophobicContact CE1-CD1 4.34Å; M53-L288 HydrophobicContact CE-CD2 3.45Å; M53-L288 VanDerWaalsContact CE-CD2 3.45Å; M53-L288 HydrophobicContact SD-CD2 4.06Å; L56-L288 HydrophobicContact CD1-CD2 4.06Å; L56-L288 HydrophobicContact CD1-CG 4.1Å; W62-L288 HydrophobicContact CH2-CD2 3.89Å; F108-L288 HydrophobicContact CD2-CD1 4.16Å; F108-L288 HydrophobicContact CD2-CD2 4.48Å; F108-L288 HydrophobicContact CE2-CD1 4.31Å; F108-L288 HydrophobicContact CE2-CD2 4.1Å; V132-L288 HydrophobicContact CG2-CD1 3.91Å; V284-L288 WeakPolarHBondContact O-CB 3.35Å; V284-L288 PolarHBondContact O-N 3.02Å; E286-L288 VanDerWaalsContact C-N 3.34Å; E286-L288 PolarHBondContact O-N 2.87Å; L288-F290 PolarHBondContact O-N 3.34Å; L288-F291 PolarHBondContact O-N 2.92Å; L288-I292 HydrophobicContact CD1-CD1 3.75Å; L288-I292 HydrophobicContact CD1-CG1 4.02Å; L288-I292 HydrophobicContact CD2-CD1 4.43Å; L288-I292 HydrophobicContact CG-CD1 3.73Å; L288-I292 HydrophobicContact CG-CG1 4.37Å; L288-I292 WeakPolarHBondContact O-CG1 3.43Å; L288-I292 PolarHBondContact O-N 3.34Å
289Q93.3Very high90.2Very high12 Ų1238.9 Ų38.96%0.05624%0.243CC..Hα-helixtrans-59.1-47.4177.3-176.2174.28.400111.5L56 A285 E286 S287 I292 Q293 L301L56-Q289 HydrophobicContact CD1-CB 4.12Å; A285-Q289 WeakPolarHBondContact O-CB 3.34Å; A285-Q289 PolarHBondContact O-N 3.15Å; E286-Q289 WeakPolarHBondContact O-CB 3.29Å; E286-Q289 PolarHBondContact O-N 3.17Å; S287-Q289 VanDerWaalsContact C-N 3.35Å; S287-Q289 PolarHBondContact O-N 3.41Å; Q289-I292 PolarHBondContact O-N 3.43Å; Q289-Q293 VanDerWaalsContact O-CG 3.29Å; Q289-Q293 WeakPolarHBondContact O-CG 3.1Å; Q289-Q293 PolarHBondContact O-N 3.24Å; Q289-L301 HydrophobicContact CG-CD1 4.1Å
290F94Very high88.6Confident101 Ų10139.6 Ų39.644%0.44326%0.26SS..Hα-helixtrans-64.2-41.1177.6-68.4-49.2000112.3E286 S287 L288 I292 Q293 G294E286-F290 HydrophobicContact CG-CD2 3.96Å; E286-F290 HydrophobicContact CG-CE2 3.43Å; E286-F290 VanDerWaalsContact CG-CE2 3.43Å; E286-F290 HydrophobicContact CG-CZ 4.22Å; E286-F290 VanDerWaalsContact O-CD2 3.27Å; E286-F290 WeakPolarHBondContact O-CD2 3.31Å; E286-F290 PolarHBondContact O-N 3.12Å; E286-F290 VanDerWaalsContact O-N 3.09Å; S287-F290 PolarHBondContact O-N 3.4Å; L288-F290 PolarHBondContact O-N 3.34Å; F290-I292 PolarHBondContact O-N 3.44Å; F290-Q293 WeakPolarHBondContact O-CB 3.39Å; F290-Q293 PolarHBondContact O-N 2.87Å; F290-G294 PolarHBondContact O-N 2.99Å
291F95.4Very high86.8Confident20 Ų2038.1 Ų38.19%0.08825%0.253CS..Hα-helixtrans-60.2-48.5176.7-175.8-107.6000112V106 V132 P229 L231 S287 L288 Q293 G294 L295V106-F291 HydrophobicContact CG1-CE1 4.16Å; V132-F291 HydrophobicContact CG2-CD1 3.55Å; V132-F291 HydrophobicContact CG2-CE1 3.62Å; V132-F291 HydrophobicContact CG2-CG 4.38Å; P229-F291 HydrophobicContact CB-CE2 3.89Å; P229-F291 HydrophobicContact CB-CZ 4.08Å; L231-F291 HydrophobicContact CB-CD2 3.65Å; L231-F291 HydrophobicContact CB-CE2 3.85Å; L231-F291 HydrophobicContact CB-CG 4.07Å; L231-F291 HydrophobicContact CB-CZ 4.42Å; L231-F291 HydrophobicContact CD2-CB 3.95Å; L231-F291 HydrophobicContact CD2-CD2 4.48Å; L231-F291 HydrophobicContact CD2-CG 4.24Å; S287-F291 WeakPolarHBondContact O-CB 3.44Å; S287-F291 PolarHBondContact O-N 3.02Å; L288-F291 PolarHBondContact O-N 2.92Å; F291-Q293 VanDerWaalsContact C-N 3.27Å; F291-Q293 PolarHBondContact O-N 3.16Å; F291-G294 PolarHBondContact O-N 3.32Å; F291-G294 VanDerWaalsContact O-N 3.09Å; F291-L295 HydrophobicContact CD1-CD1 4.12Å; F291-L295 HydrophobicContact CE1-CD1 3.71Å; F291-L295 HydrophobicContact CE1-CG 4.29Å; F291-L295 HydrophobicContact CZ-CD1 4.25Å; F291-L295 HydrophobicContact CZ-CD2 4.42Å; F291-L295 HydrophobicContact CZ-CG 4.49Å; F291-L295 WeakPolarHBondContact O-CG 3.41Å; F291-L295 PolarHBondContact O-N 2.68Å
292I92.3Very high84.7Confident2 Ų240.9 Ų40.91%0.0127%0.269CS..Hα-helixtrans-62.9-35.4178.1-63.2170.5000111.2F31 L56 L288 Q289 F290 L295 G296 L297 A298F31-I292 HydrophobicContact CE1-CD1 3.65Å; F31-I292 HydrophobicContact CE1-CG1 3.9Å; F31-I292 HydrophobicContact CE2-CD1 4.36Å; F31-I292 HydrophobicContact CZ-CD1 3.35Å; F31-I292 HydrophobicContact CZ-CG1 3.64Å; F31-I292 HydrophobicContact CZ-CG2 4.39Å; L56-I292 HydrophobicContact CD1-CD1 4.17Å; L56-I292 HydrophobicContact CD2-CD1 3.9Å; L288-I292 HydrophobicContact CD1-CD1 3.75Å; L288-I292 HydrophobicContact CD1-CG1 4.02Å; L288-I292 HydrophobicContact CD2-CD1 4.43Å; L288-I292 HydrophobicContact CG-CD1 3.73Å; L288-I292 HydrophobicContact CG-CG1 4.37Å; L288-I292 WeakPolarHBondContact O-CG1 3.43Å; L288-I292 PolarHBondContact O-N 3.34Å; Q289-I292 PolarHBondContact O-N 3.43Å; F290-I292 PolarHBondContact O-N 3.44Å; I292-L295 PolarHBondContact O-N 3.24Å; I292-G296 PolarHBondContact O-N 2.81Å; I292-L297 HydrophobicContact CG2-CB 3.69Å; I292-L297 PolarHBondContact O-N 3.04Å; I292-L297 VanDerWaalsContact O-N 3.13Å; I292-A298 HydrophobicContact CB-CB 4.37Å; I292-A298 HydrophobicContact CG2-CB 3.7Å
293Q90.3Very high82.5Confident61 Ų6138.4 Ų38.429%0.28526%0.26SS..Hα-helixtrans-64.6-43.3172.5-74.2172.7-27.300111.9Q289 F290 F291 L295 G296 A298 L301Q289-Q293 VanDerWaalsContact O-CG 3.29Å; Q289-Q293 WeakPolarHBondContact O-CG 3.1Å; Q289-Q293 PolarHBondContact O-N 3.24Å; F290-Q293 WeakPolarHBondContact O-CB 3.39Å; F290-Q293 PolarHBondContact O-N 2.87Å; F291-Q293 VanDerWaalsContact C-N 3.27Å; F291-Q293 PolarHBondContact O-N 3.16Å; Q293-L295 PolarHBondContact O-N 2.83Å; Q293-G296 PolarHBondContact O-N 2.9Å; Q293-A298 HydrophobicContact CB-CB 4.27Å; Q293-A298 HydrophobicContact CG-CB 3.47Å; Q293-A298 VanDerWaalsContact CG-CB 3.47Å; Q293-L301 PolarHBondContact NE2-O 2.86Å
294G91Very high80.3Confident71 Ų7138.6 Ų38.673%0.73226%0.258SS*.Hα-helixtrans-61.7-29.7174.300000113.8F290 F291 G296F290-G294 PolarHBondContact O-N 2.99Å; F291-G294 PolarHBondContact O-N 3.32Å; F291-G294 VanDerWaalsContact O-N 3.09Å; G294-G296 PolarHBondContact O-N 2.74Å
295L91Very high77.8Confident40 Ų4045.8 Ų45.821%0.20929%0.286CS..THydrogen-bonded Turntrans-75.5-8.2171.8-63.4-177.9000113.8V106 L129 P229 F291 I292 Q293 L297V106-L295 HydrophobicContact CG1-CD1 4.32Å; V106-L295 HydrophobicContact CG2-CD1 3.72Å; L129-L295 WeakPolarHBondContact O-CD2 3.47Å; P229-L295 HydrophobicContact CB-CD2 3.9Å; P229-L295 HydrophobicContact CG-CD2 3.69Å; F291-L295 HydrophobicContact CD1-CD1 4.12Å; F291-L295 HydrophobicContact CE1-CD1 3.71Å; F291-L295 HydrophobicContact CE1-CG 4.29Å; F291-L295 HydrophobicContact CZ-CD1 4.25Å; F291-L295 HydrophobicContact CZ-CD2 4.42Å; F291-L295 HydrophobicContact CZ-CG 4.49Å; F291-L295 WeakPolarHBondContact O-CG 3.41Å; F291-L295 PolarHBondContact O-N 2.68Å; I292-L295 PolarHBondContact O-N 3.24Å; Q293-L295 PolarHBondContact O-N 2.83Å; L295-L297 HydrophobicContact CB-CD1 4.04Å; L295-L297 HydrophobicContact CB-CG 3.98Å; L295-L297 HydrophobicContact CD1-CD1 4.01Å; L295-L297 PolarHBondContact O-N 3.06Å
296G87.2Confident75.2Confident61 Ų6152.4 Ų52.463%0.62932%0.318SS*.THydrogen-bonded Turntrans75.29.3-174.800000114.4I292 Q293 G294I292-G296 PolarHBondContact O-N 2.81Å; Q293-G296 PolarHBondContact O-N 2.9Å; G294-G296 PolarHBondContact O-N 2.74Å
297L80Confident72.9Confident63 Ų6353.9 Ų53.933%0.3333%0.332SS..THydrogen-bonded Turntrans-84.6-14-177.7-65.1176.7000113.3V29 V106 L129 I292 L295V29-L297 HydrophobicContact CB-CD2 4.47Å; V29-L297 HydrophobicContact CG1-CD1 3.84Å; V29-L297 HydrophobicContact CG1-CD2 4Å; V29-L297 HydrophobicContact CG2-CD2 3.96Å; V106-L297 HydrophobicContact CG2-CD1 3.65Å; L129-L297 HydrophobicContact CD1-CD1 4.26Å; L129-L297 HydrophobicContact CD1-CD2 4.23Å; I292-L297 HydrophobicContact CG2-CB 3.69Å; I292-L297 PolarHBondContact O-N 3.04Å; I292-L297 VanDerWaalsContact O-N 3.13Å; L295-L297 HydrophobicContact CB-CD1 4.04Å; L295-L297 HydrophobicContact CB-CG 3.98Å; L295-L297 HydrophobicContact CD1-CD1 4.01Å; L295-L297 PolarHBondContact O-N 3.06Å
298A65.6Low70.5Confident11 Ų1157.9 Ų57.99%0.09136%0.36CS..THydrogen-bonded Turntrans-109.830.1-173.200000114.6I292 Q293 G300 L301I292-A298 HydrophobicContact CB-CB 4.37Å; I292-A298 HydrophobicContact CG2-CB 3.7Å; Q293-A298 HydrophobicContact CB-CB 4.27Å; Q293-A298 HydrophobicContact CG-CB 3.47Å; Q293-A298 VanDerWaalsContact CG-CB 3.47Å; A298-G300 PolarHBondContact O-N 3.25Å; A298-L301 HydrophobicContact CB-CB 4.29Å; A298-L301 HydrophobicContact CB-CD1 3.33Å; A298-L301 HydrophobicContact CB-CG 3.81Å; A298-L301 PolarHBondContact O-N 3.18Å
299G58.3Low68.1Low77 Ų7763.1 Ų63.179%0.79439%0.392SS*.THydrogen-bonded Turntrans-50.1109.4173.900000111.7
300G58Low65.5Low49 Ų4967.5 Ų67.551%0.50542%0.415SS..THydrogen-bonded Turntrans997.1-179.800000117.1A298 V302A298-G300 PolarHBondContact O-N 3.25Å; G300-V302 PolarHBondContact O-N 3.07Å
301L56.3Low62.7Low18 Ų1868.9 Ų68.99%0.09443%0.434CS..PPolyproline II helixtrans-75.8116.7165.1-69.7-176.8000110.2P55 L56 Q289 Q293 A298P55-L301 HydrophobicContact CB-CD2 4.31Å; P55-L301 WeakPolarHBondContact O-CD2 3.41Å; L56-L301 HydrophobicContact CD2-CD1 3.32Å; L56-L301 HydrophobicContact CG-CD1 4.44Å; Q289-L301 HydrophobicContact CG-CD1 4.1Å; Q293-L301 PolarHBondContact NE2-O 2.86Å; A298-L301 HydrophobicContact CB-CB 4.29Å; A298-L301 HydrophobicContact CB-CD1 3.33Å; A298-L301 HydrophobicContact CB-CG 3.81Å; A298-L301 PolarHBondContact O-N 3.18Å
302V50.9Low60.3Low73 Ų7372.8 Ų72.844%0.44246%0.46SS..PPolyproline II helixtrans-81.1126.1166.9-178.70000106.8G300 R304 R314G300-V302 PolarHBondContact O-N 3.07Å; V302-R304 PolarHBondContact O-N 2.93Å; V302-R314 VanDerWaalsContact CG2-NH2 3.32Å
303S51Low58.1Low20 Ų2076.7 Ų76.714%0.1449%0.492CS..PPolyproline II helixtrans-61.2132.7174.1178.80000109.8R305 M306 S307S303-R305 PolarHBondContact O-N 3.49Å; S303-M306 PolarHBondContact O-N 3.5Å; S303-S307 PolarHBondContact O-N 3.25Å
304R50Low56Low80 Ų8082.8 Ų82.830%0.30251%0.512SS..Hα-helixtrans-57.5-33179.4-83.3-170-178.9-169.60.1112.8E51 E54 P55 V302 M306 S307 S308E51-R304 PolarHBondContact O-NH1 2.85Å; E51-R304 PolarHBondContact O-NH2 2.85Å; E54-R304 IonicContact OE2-NH2 3.39Å; E54-R304 PolarHBondContact OE2-NH2 2.81Å; P55-R304 HydrophobicContact CG-CG 4.48Å; V302-R304 PolarHBondContact O-N 2.93Å; R304-M306 PolarHBondContact O-N 3.36Å; R304-S307 WeakPolarHBondContact CA-OG 3.3Å; R304-S307 PolarHBondContact O-N 3.25Å; R304-S307 PolarHBondContact O-OG 3.09Å; R304-S307 VanDerWaalsContact O-OG 3.06Å; R304-S308 PolarHBondContact O-N 2.71Å; R304-S308 VanDerWaalsContact O-N 3.11Å
305R45.2Very low53.8Low151 Ų15186.7 Ų86.757%0.5752%0.516SS*.Hα-helixtrans-60.9-27.6175.6-81.2-170.5-175.2172.515.7113.1E286 S303 T309E286-R305 VanDerWaalsContact CD-NH2 3.31Å; E286-R305 WeakPolarHBondContact OE1-CD 3.46Å; E286-R305 IonicContact OE1-CZ 2.92Å; E286-R305 IonicContact OE1-NE 2.96Å; E286-R305 PolarHBondContact OE1-NE 3.39Å; E286-R305 IonicContact OE1-NH1 3.52Å; E286-R305 IonicContact OE1-NH2 3.07Å; E286-R305 PolarHBondContact OE1-NH2 3.34Å; E286-R305 IonicContact OE2-CZ 3.46Å; E286-R305 IonicContact OE2-NE 3.74Å; E286-R305 IonicContact OE2-NH2 2.74Å; E286-R305 PolarHBondContact OE2-NH2 2.93Å; S303-R305 PolarHBondContact O-N 3.49Å; R305-T309 PolarHBondContact O-OG1 2.98Å
306M41.1Very low52Low141 Ų14195.5 Ų95.570%0.69555%0.547SS*.Hα-helixtrans-90.5-17.5175.5-65.8-73.8-80.100112.5S303 R304S303-M306 PolarHBondContact O-N 3.5Å; R304-M306 PolarHBondContact O-N 3.36Å
307S47.6Very low50.8Low66 Ų6698.1 Ų98.146%0.46256%0.556SS.*Hα-helixtrans-89-25.8-179.573.50000113.9S303 R304S303-S307 PolarHBondContact O-N 3.25Å; R304-S307 WeakPolarHBondContact CA-OG 3.3Å; R304-S307 PolarHBondContact O-N 3.25Å; R304-S307 PolarHBondContact O-OG 3.09Å; R304-S307 VanDerWaalsContact O-OG 3.06Å
308S46.7Very low49.9Very low99 Ų9999.4 Ų99.469%0.69256%0.562SS**SBendtrans-78.1-26.1-17859.40000113.5R304R304-S308 PolarHBondContact O-N 2.71Å; R304-S308 VanDerWaalsContact O-N 3.11Å
309T44.1Very low50.1Low109 Ų109101.2 Ų101.267%0.66957%0.574SS**SBendtrans-98.4-14.2-175.734.30000114.9R305R305-T309 PolarHBondContact O-OG1 2.98Å
310I38.3Very low50.6Low105 Ų105105 Ų10554%0.53857%0.573SS.*  trans-146.5114.7176.2-41.2177.1000110.8V312I310-V312 HydrophobicContact CB-CG2 3.79Å; I310-V312 HydrophobicContact CG2-CB 4.43Å; I310-V312 HydrophobicContact CG2-CG2 3.22Å; I310-V312 PolarHBondContact O-N 3.37Å
311P36.8Very low51Low130 Ų130109.6 Ų109.684%0.84458%0.582SS**  trans-73.372.9163.631.9-30.8000108A313P311-A313 PolarHBondContact O-N 2.93Å; P311-A313 VanDerWaalsContact O-N 3.14Å
312V44.6Very low51.5Low102 Ų102112.8 Ų112.862%0.61860%0.596SS**  trans-76.6105.3168.7-170.50000106.4I310 R314I310-V312 HydrophobicContact CB-CG2 3.79Å; I310-V312 HydrophobicContact CG2-CB 4.43Å; I310-V312 HydrophobicContact CG2-CG2 3.22Å; I310-V312 PolarHBondContact O-N 3.37Å; V312-R314 PolarHBondContact O-N 3.21Å
313A45Very low52.6Low83 Ų83117.7 Ų117.769%0.68661%0.608SS**  trans-45.9113.2160.900000107.6P311 N315P311-A313 PolarHBondContact O-N 2.93Å; P311-A313 VanDerWaalsContact O-N 3.14Å; A313-N315 PolarHBondContact O-N 2.95Å
314R46.4Very low53.5Low190 Ų190122.5 Ų122.572%0.71763%0.632SS**  trans-55.695.6-176.9-89174.3154.1153.1-9.1110.2V302 V312 R316V302-R314 VanDerWaalsContact CG2-NH2 3.32Å; V312-R314 PolarHBondContact O-N 3.21Å; R314-R316 PolarHBondContact O-N 2.93Å
315N44.7Very low54.4Low152 Ų152123.3 Ų123.381%0.81364%0.639SS**  trans-68.5127.3152.6-75.9-13.3000106.2A313A313-N315 PolarHBondContact O-N 2.95Å
316R53.4Low55.2Low225 Ų225119.3 Ų119.385%0.84963%0.633SS**  trans-42.9143.4175.5-67.5166.5120.4-157.7-0.1109.7R314 L318R314-R316 PolarHBondContact O-N 2.93Å; R316-L318 PolarHBondContact O-N 3.45Å; R316-L318 VanDerWaalsContact O-N 3.09Å
317S61.9Low56.4Low117 Ų117122.2 Ų122.282%0.81864%0.642SS**PPolyproline II helixtrans-51.5121166.151.10000108.1S319S317-S319 PolarHBondContact O-N 3.38Å
318L61.4Low57.3Low89 Ų89120.4 Ų120.447%0.46663%0.633SS.*PPolyproline II helixtrans-61.5136.3-179.8-67.5170000108.9R316 E322 Y323R316-L318 PolarHBondContact O-N 3.45Å; R316-L318 VanDerWaalsContact O-N 3.09Å; L318-E322 WeakPolarHBondContact CA-OE2 3.49Å; L318-E322 HydrophobicContact CB-CB 3.78Å; L318-E322 HydrophobicContact CD2-CB 3.9Å; L318-E322 HydrophobicContact CD2-CG 4.34Å; L318-E322 WeakPolarHBondContact CD2-OE2 3.47Å; L318-E322 HydrophobicContact CG-CB 4.32Å; L318-Y323 HydrophobicContact CB-CD2 3.96Å; L318-Y323 HydrophobicContact CB-CE2 3.89Å
319S69.6Low57.9Low50 Ų50116.6 Ų116.635%0.3561%0.607SS.*PPolyproline II helixtrans-61.2159170.376.10000110.2S317 E321 E322 Y323S317-S319 PolarHBondContact O-N 3.38Å; S319-E321 PolarHBondContact O-N 3.14Å; S319-E322 PolarHBondContact N-OE2 3.35Å; S319-E322 WeakPolarHBondContact O-CA 3.32Å; S319-E322 WeakPolarHBondContact O-CB 3.45Å; S319-E322 PolarHBondContact O-N 3.04Å; S319-E322 WeakPolarHBondContact OG-CG 3.43Å; S319-E322 PolarHBondContact OG-N 3.31Å; S319-Y323 PolarHBondContact O-N 3.28Å; S319-Y323 VanDerWaalsContact O-N 3.08Å
320M68.7Low58.5Low155 Ų155115.4 Ų115.476%0.76460%0.604SS**Hα-helixtrans-56.8-34.7177.8-147.5179.782.800111.7E322 Y323 D324M320-E322 VanDerWaalsContact C-N 3.31Å; M320-E322 PolarHBondContact O-N 2.9Å; M320-Y323 PolarHBondContact O-N 2.71Å; M320-D324 PolarHBondContact O-N 2.67Å
321E67.3Low59.5Low147 Ų147115 Ų11569%0.68760%0.603SS**Hα-helixtrans-65.7-31.2173.6-68.5-17716300113.2S319S319-E321 PolarHBondContact O-N 3.14Å
322E67.4Low60.4Low85 Ų85110.5 Ų110.540%0.39757%0.574SS.*Hα-helixtrans-77.7-30.7177.6-74172.2148.800111.8L318 S319 M320 D324 Q325L318-E322 WeakPolarHBondContact CA-OE2 3.49Å; L318-E322 HydrophobicContact CB-CB 3.78Å; L318-E322 HydrophobicContact CD2-CB 3.9Å; L318-E322 HydrophobicContact CD2-CG 4.34Å; L318-E322 WeakPolarHBondContact CD2-OE2 3.47Å; L318-E322 HydrophobicContact CG-CB 4.32Å; S319-E322 PolarHBondContact N-OE2 3.35Å; S319-E322 WeakPolarHBondContact O-CA 3.32Å; S319-E322 WeakPolarHBondContact O-CB 3.45Å; S319-E322 PolarHBondContact O-N 3.04Å; S319-E322 WeakPolarHBondContact OG-CG 3.43Å; S319-E322 PolarHBondContact OG-N 3.31Å; M320-E322 VanDerWaalsContact C-N 3.31Å; M320-E322 PolarHBondContact O-N 2.9Å; E322-D324 VanDerWaalsContact C-N 3.29Å; E322-Q325 PolarHBondContact O-N 3.28Å
323Y72.9Confident61.2Low176 Ų176109.6 Ų109.669%0.6957%0.565SS**Hα-helixtrans-65-34.5170.6-90.4-78.4000112.5L318 S319 M320 Q325L318-Y323 HydrophobicContact CB-CD2 3.96Å; L318-Y323 HydrophobicContact CB-CE2 3.89Å; S319-Y323 PolarHBondContact O-N 3.28Å; S319-Y323 VanDerWaalsContact O-N 3.08Å; M320-Y323 PolarHBondContact O-N 2.71Å; Y323-Q325 PolarHBondContact O-N 3.27Å
324D71.2Confident61.9Low121 Ų121111.7 Ų111.765%0.64756%0.559SS**THydrogen-bonded Turntrans-77-6.1177.9-74.3-16.4000113M320 E322 P326M320-D324 PolarHBondContact O-N 2.67Å; E322-D324 VanDerWaalsContact C-N 3.29Å; D324-P326 WeakPolarHBondContact O-CD 3.14Å
325Q68.6Low62.4Low96 Ų96106.7 Ų106.745%0.44954%0.543SS..SBendtrans-74.3121.7175.7-73.1-176.414.100110.7E322 Y323 K327 C332E322-Q325 PolarHBondContact O-N 3.28Å; Y323-Q325 PolarHBondContact O-N 3.27Å; Q325-K327 PolarHBondContact O-N 2.91Å; Q325-C332 HydrophobicContact CG-CB 4.45Å
326P62.4Low63.3Low67 Ų67108.5 Ų108.544%0.43554%0.544SS..PPolyproline II helixtrans-61.3132.4174.123.1-31.4000110.6D324 G328 A329 T343D324-P326 WeakPolarHBondContact O-CD 3.14Å; P326-G328 PolarHBondContact O-N 3.06Å; P326-A329 HydrophobicContact CG-CB 4.2Å; P326-A329 PolarHBondContact O-N 3.07Å; P326-T343 HydrophobicContact CG-CG2 3.52Å
327K65.3Low64.1Low203 Ų203105.6 Ų105.688%0.88355%0.545SS*.THydrogen-bonded Turntrans-55.5136.2178.3-66.2-176.1177.9-179.70110.5Q325Q325-K327 PolarHBondContact O-N 2.91Å
328G65.7Low63.6Low28 Ų28107.5 Ų107.529%0.28953%0.534SS..THydrogen-bonded Turntrans85.72.2178.400000115.9P326 I348P326-G328 PolarHBondContact O-N 3.06Å; G328-I348 PolarHBondContact O-N 3.24Å
329A59.2Low63.5Low18 Ų18113 Ų11315%0.14956%0.555CS.*  trans-106.5109175.600000111.9P326 T343P326-A329 HydrophobicContact CG-CB 4.2Å; P326-A329 PolarHBondContact O-N 3.07Å; A329-T343 HydrophobicContact CB-CG2 3.36Å
330S57.5Low63Low85 Ų85117.5 Ų117.559%0.59457%0.565SS**SBendtrans-76.8-18.2-178.9480000114.6
331N58.5Low62.7Low97 Ų97112.6 Ų112.652%0.51955%0.546SS..  trans-133.389.4-176.2-69.5-31.1000111.1T344N331-T344 PolarHBondContact O-N 3.33Å; N331-T344 VanDerWaalsContact O-N 3.11Å
332C56.9Low62.3Low34 Ų34108 Ų10823%0.2353%0.528CS..EExtended strand (participates in β ladder)trans-91.9121.1167.1-70.10000109.6Q325Q325-C332 HydrophobicContact CG-CB 4.45Å
333I62Low61.8Low84 Ų84107.2 Ų107.243%0.43153%0.529SS..EExtended strand (participates in β ladder)trans-98120.2172.3-57.6174.1000107.9T342I333-T342 PolarHBondContact N-O 3.28Å; I333-T342 VanDerWaalsContact N-O 3.12Å; I333-T342 PolarHBondContact O-N 2.86Å
334F58Low61.1Low127 Ų127102.7 Ų102.756%0.55752%0.52SS*.EExtended strand (participates in β ladder)trans-79.7119174.2-164.8-87.5000110.2S341F334-S341 WeakPolarHBondContact CD2-OG 3.16Å
335H57.1Low60.1Low84 Ų8499.7 Ų99.739%0.38952%0.517SS..  trans-96.5106.9177-78-72.5000110.7N337 R338 T342H335-N337 PolarHBondContact O-N 2.92Å; H335-R338 HydrophobicContact CB-CB 4.23Å; H335-R338 CarbonylContact O-C 3.54Å; H335-R338 PolarHBondContact O-N 3.34Å; H335-T342 PolarHBondContact CD2-OG1 3.25Å
336K64.3Low59.2Low190 Ų190106.5 Ų106.583%0.82654%0.539SS*.THydrogen-bonded Turntrans-54-26179.4-70-175.9178-179.40114.9
337N69.7Low58.7Low164 Ų164109.6 Ų109.688%0.87755%0.551SS**THydrogen-bonded Turntrans-89.4-17.8-178.8-69.2-9.3000114.6H335H335-N337 PolarHBondContact O-N 2.92Å
338R52.8Low57.9Low158 Ų158105.5 Ų105.560%0.59654%0.537SS*.SBendtrans-120.8110.2177.3-67.1-175.8-178.7-178.2-0.3105H335 Y340H335-R338 HydrophobicContact CB-CB 4.23Å; H335-R338 CarbonylContact O-C 3.54Å; H335-R338 PolarHBondContact O-N 3.34Å; R338-Y340 HydrophobicContact CB-CD1 4.49Å; R338-Y340 HydrophobicContact CB-CE1 4.12Å; R338-Y340 PolarHBondContact O-N 2.91Å; R338-Y340 VanDerWaalsContact O-O 3.13Å
339K57.4Low56.8Low205 Ų205112.3 Ų112.389%0.89156%0.562SS**SBendtrans-66.541-170.1-61.9-179.6177.7179.40114.5
340Y59.6Low56.2Low143 Ų143117 Ų11756%0.56159%0.585SS**SBendtrans-159.6151.9176.156.5-89000110.3R338 T342R338-Y340 HydrophobicContact CB-CD1 4.49Å; R338-Y340 HydrophobicContact CB-CE1 4.12Å; R338-Y340 PolarHBondContact O-N 2.91Å; R338-Y340 VanDerWaalsContact O-O 3.13Å; Y340-T342 HydrophobicContact CD2-CG2 4.46Å; Y340-T342 HydrophobicContact CE2-CG2 4.27Å
341S63.5Low55.4Low53 Ų53120.2 Ų120.237%0.37160%0.595SS.*EExtended strand (participates in β ladder)trans-82.9150.7178.9-61.20000112F334F334-S341 WeakPolarHBondContact CD2-OG 3.16Å
342T58.9Low54.4Low51 Ų51119.2 Ų119.231%0.31360%0.596SS.*EExtended strand (participates in β ladder)trans-122.8138.8171.146.20000111I333 H335 Y340I333-T342 PolarHBondContact N-O 3.28Å; I333-T342 VanDerWaalsContact N-O 3.12Å; I333-T342 PolarHBondContact O-N 2.86Å; H335-T342 PolarHBondContact CD2-OG1 3.25Å; Y340-T342 HydrophobicContact CD2-CG2 4.46Å; Y340-T342 HydrophobicContact CE2-CG2 4.27Å
343T57Low53.4Low68 Ų68123.7 Ų123.742%0.41762%0.624SS.*EExtended strand (participates in β ladder)trans-89.1124.9-178.756.10000110.8P326 A329P326-T343 HydrophobicContact CG-CG2 3.52Å; A329-T343 HydrophobicContact CB-CG2 3.36Å
344T56.4Low52.3Low81 Ų81126.3 Ų126.350%0.49764%0.637SS.*  trans-114.896.3171.253.40000109.6N331N331-T344 PolarHBondContact O-N 3.33Å; N331-T344 VanDerWaalsContact O-N 3.11Å
345G51.5Low51.1Low57 Ų57126.8 Ų126.859%0.58865%0.646SS**SBendtrans165.8154.2177.700000112.3L347G345-L347 PolarHBondContact O-N 2.83Å
346R49.7Very low50.1Low240 Ų240129.8 Ų129.891%0.90666%0.66SS**PPolyproline II helixtrans-59.1127.2170.6-100.7-178.4175.5178.1-2.1108.6I348R346-I348 PolarHBondContact O-N 3.4Å
347L50.7Low48.8Very low131 Ų131128.9 Ų128.969%0.68666%0.659SS**PPolyproline II helixtrans-53.9123168.3-68.2164.6000108.1G345 Q349G345-L347 PolarHBondContact O-N 2.83Å; L347-Q349 PolarHBondContact O-N 3.33Å
348I48.7Very low47.2Very low117 Ų117128.6 Ų128.660%0.665%0.652SS**PPolyproline II helixtrans-69117168.5-59.3175.1000105.4G328 R346 D350G328-I348 PolarHBondContact O-N 3.24Å; R346-I348 PolarHBondContact O-N 3.4Å; I348-D350 PolarHBondContact O-N 2.87Å
349Q44.2Very low46.6Very low172 Ų172128.2 Ų128.280%0.80466%0.662SS**  trans-61109.4169.6-83.8175.5-36.300107.3L347 D351L347-Q349 PolarHBondContact O-N 3.33Å; Q349-D351 PolarHBondContact O-N 3.04Å
350D45.4Very low45.6Very low117 Ų117126.2 Ų126.263%0.62666%0.656SS**  trans-8796.3176-158.1-13.7000107I348 S352I348-D350 PolarHBondContact O-N 2.87Å; D350-S352 PolarHBondContact O-N 3.38Å; D350-S352 PolarHBondContact OD1-OG 2.92Å
351D40.4Very low44.6Very low152 Ų152125.3 Ų125.381%0.81367%0.666SS**  trans-76.228.3-179.4-79.2-22.9000112.9Q349Q349-D351 PolarHBondContact O-N 3.04Å
352S39.2Very low43.7Very low76 Ų76131.6 Ų131.653%0.53169%0.689SS.*  trans-83.4122.8176.9-57.90000109.4D350 I354D350-S352 PolarHBondContact O-N 3.38Å; D350-S352 PolarHBondContact OD1-OG 2.92Å; S352-I354 PolarHBondContact O-N 3.19Å
353P34.5Very low42.8Very low128 Ų128137.5 Ų137.583%0.83174%0.743SS**  trans-62.9121.3-172.722.4-30.9000111.3N355P353-N355 PolarHBondContact O-N 3.03Å
354I39.1Very low42.1Very low138 Ų138141 Ų14171%0.70876%0.76SS**  trans-69112.9174.2-53.2175.3000106.9S352 E356S352-I354 PolarHBondContact O-N 3.19Å; I354-E356 HydrophobicContact CG2-CG 3.71Å; I354-E356 PolarHBondContact O-N 2.97Å
355N33.3Very low41.3Very low138 Ų138144.2 Ų144.274%0.73877%0.773SS**  trans-76.276.2174.1-162.724.7000108.5P353 Q357P353-N355 PolarHBondContact O-N 3.03Å; N355-Q357 VanDerWaalsContact C-N 3.34Å; N355-Q357 PolarHBondContact O-N 2.68Å; N355-Q357 VanDerWaalsContact O-N 3.1Å
356E35.2Very low40.7Very low147 Ų147149 Ų14969%0.68778%0.784SS**  trans-74.689.4169.1-71.9-179.8174.500107.9I354 E358I354-E356 HydrophobicContact CG2-CG 3.71Å; I354-E356 PolarHBondContact O-N 2.97Å; E356-E358 VanDerWaalsContact C-N 3.33Å; E356-E358 PolarHBondContact O-N 2.8Å; E356-E358 VanDerWaalsContact O-N 3.12Å
357Q37Very low40.2Very low170 Ų170143.6 Ų143.679%0.79478%0.777SS**  trans-71.996.9159.5-79-176.5-25.600107.1N355 D359N355-Q357 VanDerWaalsContact C-N 3.34Å; N355-Q357 PolarHBondContact O-N 2.68Å; N355-Q357 VanDerWaalsContact O-N 3.1Å; Q357-D359 PolarHBondContact O-N 3.01Å
358E37.8Very low39.6Very low158 Ų158144.4 Ų144.474%0.73878%0.782SS**  trans-60.5117.1169.9-73.3-177.7149.700109.8E356 Q360E356-E358 VanDerWaalsContact C-N 3.33Å; E356-E358 PolarHBondContact O-N 2.8Å; E356-E358 VanDerWaalsContact O-N 3.12Å; E358-Q360 PolarHBondContact O-N 3.3Å
359D38.9Very low39Very low150 Ų150146.3 Ų146.380%0.80279%0.794SS**  trans-70.990.6173.4-153.95.5000108.3Q357 T361Q357-D359 PolarHBondContact O-N 3.01Å; D359-T361 PolarHBondContact O-N 3.4Å; D359-T361 VanDerWaalsContact O-N 3.08Å
360Q37.5Very low38.6Very low163 Ų163144.4 Ų144.476%0.76279%0.794SS**  trans-75.988.3173.1-70.8-173.98.100109.8E358E358-Q360 PolarHBondContact O-N 3.3Å
361T39.1Very low38.1Very low125 Ų125146.5 Ų146.577%0.76781%0.807SS**  trans-98.588.9154.143.50000108.7D359D359-T361 PolarHBondContact O-N 3.4Å; D359-T361 VanDerWaalsContact O-N 3.08Å
362E43.3Very low37.9Very low184 Ų184146.1 Ų146.186%0.8681%0.806SS**  trans-84.4146.7162-79.6-170.8156.100110.6
363A39.7Very low37.7Very low176 Ų176152.5 Ų152.5100%1.45583%0.831SS**  trans-73.80-165.700000115.9

Retrieved 363 of 363 residues in 575.6 ms (Link to these results)

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