A0A077Z031_TRITR Loading...

RLL domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z031, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 250 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
1M57.3Low70.2Confident206 Ų20682.8 Ų82.8100%1.01538%0.377SS*.  0-40.80-147165178.900113K3M1-K3 PolarHBondContact O-N 3.14Å
2F70.5Confident70Confident37 Ų3782.3 Ų82.316%0.16239%0.386CS..THydrogen-bonded Turntrans-75.3-16.1-171.4-50.3-66.1000117.4R4 K5 L6 V19 A78 I81 D82 L85F2-R4 VanDerWaalsContact C-N 3.31Å; F2-R4 PolarHBondContact O-N 3.38Å; F2-R4 VanDerWaalsContact O-N 3.16Å; F2-K5 PolarHBondContact O-N 3.21Å; F2-K5 VanDerWaalsContact O-N 3.11Å; F2-L6 HydrophobicContact CB-CD1 3.86Å; F2-L6 HydrophobicContact CB-CG 4.28Å; F2-L6 WeakPolarHBondContact O-CG 3.33Å; F2-L6 PolarHBondContact O-N 3.39Å; F2-V19 HydrophobicContact CD2-CG2 3.95Å; F2-V19 HydrophobicContact CE2-CB 4.5Å; F2-V19 HydrophobicContact CE2-CG2 3.57Å; F2-V19 HydrophobicContact CZ-CG2 4.15Å; F2-A78 HydrophobicContact CZ-CB 4.1Å; F2-I81 HydrophobicContact CD1-CG2 4.04Å; F2-I81 HydrophobicContact CE1-CG2 3.88Å; F2-I81 HydrophobicContact CZ-CG2 4.35Å; F2-D82 HydrophobicContact CE1-CB 3.87Å; F2-L85 HydrophobicContact CB-CD1 4.09Å; F2-L85 HydrophobicContact CD1-CD1 3.61Å; F2-L85 HydrophobicContact CE1-CD1 4.46Å; F2-L85 HydrophobicContact CG-CD1 4.18Å
3K68.4Low69.7Low174 Ų17484.6 Ų84.676%0.75739%0.39SS*.Hα-helixtrans-52.9-43.3-170.3-168.2176.3-179-179.60113.3M1 T7M1-K3 PolarHBondContact O-N 3.14Å; K3-T7 WeakPolarHBondContact O-CB 3.47Å; K3-T7 PolarHBondContact O-N 2.97Å; K3-T7 PolarHBondContact O-OG1 3.35Å
4R69.9Low68.7Low217 Ų21789.2 Ų89.282%0.81941%0.412SS*.Hα-helixtrans-66-47179.8-71-177.2177173.6-0.8112.1F2 T7 V8F2-R4 VanDerWaalsContact C-N 3.31Å; F2-R4 PolarHBondContact O-N 3.38Å; F2-R4 VanDerWaalsContact O-N 3.16Å; R4-T7 WeakPolarHBondContact O-CB 3.49Å; R4-T7 PolarHBondContact O-N 3.04Å; R4-V8 WeakPolarHBondContact O-CG2 3.25Å; R4-V8 PolarHBondContact O-N 3.23Å
5K74.5Confident67.9Low57 Ų5786.9 Ų86.925%0.24842%0.421CS..Hα-helixtrans-64.2-43.6179.3-63.1-177.3-176.2177.40111F2 T7 V8 L9 D82 L85 S86F2-K5 PolarHBondContact O-N 3.21Å; F2-K5 VanDerWaalsContact O-N 3.11Å; K5-T7 VanDerWaalsContact C-N 3.31Å; K5-T7 PolarHBondContact O-N 3.44Å; K5-V8 PolarHBondContact O-N 3.35Å; K5-L9 VanDerWaalsContact O-CG 3.22Å; K5-L9 WeakPolarHBondContact O-CG 3.01Å; K5-L9 PolarHBondContact O-N 3.25Å; K5-D82 IonicContact NZ-OD1 2.96Å; K5-D82 PolarHBondContact NZ-OD1 2.9Å; K5-D82 IonicContact NZ-OD2 2.72Å; K5-D82 PolarHBondContact NZ-OD2 3.44Å; K5-L85 HydrophobicContact CB-CB 4.16Å; K5-L85 HydrophobicContact CB-CD1 4.43Å; K5-L85 HydrophobicContact CD-CB 4.03Å; K5-S86 PolarHBondContact NZ-OG 3.01Å
6L74.9Confident67.5Low17 Ų1794.6 Ų94.69%0.08945%0.452CS..Hα-helixtrans-62.8-35.5175.3-68.7169.9000113F2 L9 Q10 Y11 V17 L28 L85F2-L6 HydrophobicContact CB-CD1 3.86Å; F2-L6 HydrophobicContact CB-CG 4.28Å; F2-L6 WeakPolarHBondContact O-CG 3.33Å; F2-L6 PolarHBondContact O-N 3.39Å; L6-L9 PolarHBondContact O-N 3.36Å; L6-Q10 PolarHBondContact O-N 3.42Å; L6-Y11 HydrophobicContact CD2-CD1 4.4Å; L6-Y11 HydrophobicContact CD2-CD2 4.44Å; L6-Y11 HydrophobicContact CD2-CG 4.08Å; L6-Y11 PolarHBondContact O-N 3.45Å; L6-V17 HydrophobicContact CD1-CB 4.25Å; L6-V17 HydrophobicContact CD1-CG2 3.71Å; L6-L28 HydrophobicContact CD2-CD1 3.74Å; L6-L85 HydrophobicContact CD2-CD1 4.44Å; L6-L85 HydrophobicContact CD2-CD2 3.65Å; L6-L85 HydrophobicContact CG-CD1 4.5Å; L6-L85 HydrophobicContact CG-CD2 4.35Å
7T71.9Confident67.4Low49 Ų4990.4 Ų90.430%0.30143%0.433SS..Hα-helixtrans-66.1-45.2175.3-52.30000111K3 R4 K5 L9 Q10 M110K3-T7 WeakPolarHBondContact O-CB 3.47Å; K3-T7 PolarHBondContact O-N 2.97Å; K3-T7 PolarHBondContact O-OG1 3.35Å; R4-T7 WeakPolarHBondContact O-CB 3.49Å; R4-T7 PolarHBondContact O-N 3.04Å; K5-T7 VanDerWaalsContact C-N 3.31Å; K5-T7 PolarHBondContact O-N 3.44Å; T7-L9 VanDerWaalsContact C-N 3.26Å; T7-L9 PolarHBondContact O-N 2.83Å; T7-Q10 PolarHBondContact O-N 3.2Å; T7-M110 HydrophobicContact CG2-CE 4.08Å
8V69.6Low67.5Low40 Ų4090.1 Ų90.124%0.24244%0.435CS..Hα-helixtrans-61.7-37.5176.6172.40000111.2R4 K5 Q10 V89 M110R4-V8 WeakPolarHBondContact O-CG2 3.25Å; R4-V8 PolarHBondContact O-N 3.23Å; K5-V8 PolarHBondContact O-N 3.35Å; V8-Q10 PolarHBondContact O-N 3.44Å; V8-V89 HydrophobicContact CG1-CG2 4.22Å; V8-M110 HydrophobicContact CG2-CE 3.89Å; V8-M110 HydrophobicContact CG2-SD 4.26Å
9L72.4Confident67.7Low0 Ų086 Ų860%042%0.416CS..THydrogen-bonded Turntrans-76.1-6.6178.3-63.6172.9000113.2K5 L6 T7 W31 L32 K36 L85 A88 V89 I92K5-L9 VanDerWaalsContact O-CG 3.22Å; K5-L9 WeakPolarHBondContact O-CG 3.01Å; K5-L9 PolarHBondContact O-N 3.25Å; L6-L9 PolarHBondContact O-N 3.36Å; T7-L9 VanDerWaalsContact C-N 3.26Å; T7-L9 PolarHBondContact O-N 2.83Å; L9-W31 HydrophobicContact CB-CH2 3.88Å; L9-W31 HydrophobicContact CB-CZ3 4.18Å; L9-W31 WeakPolarHBondContact O-CH2 3.41Å; L9-L32 HydrophobicContact CD1-CD2 3.86Å; L9-K36 HydrophobicContact CD2-CG 4.33Å; L9-K36 WeakPolarHBondContact O-CE 3.32Å; L9-K36 PolarHBondContact O-NZ 2.95Å; L9-K36 VanDerWaalsContact O-NZ 3.08Å; L9-L85 HydrophobicContact CD1-CB 4.39Å; L9-L85 HydrophobicContact CD1-CD2 3.39Å; L9-L85 HydrophobicContact CD1-CG 4.5Å; L9-A88 HydrophobicContact CD1-CB 4.21Å; L9-A88 HydrophobicContact CD2-CB 3.9Å; L9-V89 HydrophobicContact CD1-CG2 4.36Å; L9-V89 HydrophobicContact CD2-CG2 3.76Å; L9-V89 HydrophobicContact CG-CG2 3.96Å; L9-I92 HydrophobicContact CD2-CD1 3.26Å
10Q71.2Confident67.8Low86 Ų8690 Ų9040%0.40243%0.434SS..THydrogen-bonded Turntrans56.348.3-174.1-59.3177.1-13.300112.1L6 T7 V8 P12L6-Q10 PolarHBondContact O-N 3.42Å; T7-Q10 PolarHBondContact O-N 3.2Å; V8-Q10 PolarHBondContact O-N 3.44Å; Q10-P12 WeakPolarHBondContact O-CD 3.4Å
11Y72.1Confident68.3Low28 Ų2888.8 Ų88.811%0.1143%0.43CS..  trans-61123.7176.7-170.5-116.1000110.7L6 W13 V17 L28 W31L6-Y11 HydrophobicContact CD2-CD1 4.4Å; L6-Y11 HydrophobicContact CD2-CD2 4.44Å; L6-Y11 HydrophobicContact CD2-CG 4.08Å; L6-Y11 PolarHBondContact O-N 3.45Å; Y11-W13 HydrophobicContact CD1-CB 4.35Å; Y11-W13 VanDerWaalsContact CD1-O 3.27Å; Y11-W13 WeakPolarHBondContact CD1-O 3.46Å; Y11-W13 HydrophobicContact CE1-CB 3.86Å; Y11-W13 HydrophobicContact CE1-CE3 4.06Å; Y11-W13 AromaticContact CE2-CE3 3.77Å; Y11-W13 HydrophobicContact CE2-CE3 3.77Å; Y11-W13 HydrophobicContact CE2-CZ3 4.09Å; Y11-W13 AromaticContact CZ-CE3 3.49Å; Y11-W13 VanDerWaalsContact CZ-CE3 3.49Å; Y11-W13 PolarHBondContact O-N 2.96Å; Y11-V17 HydrophobicContact CD1-CG2 4.29Å; Y11-V17 HydrophobicContact CE1-CG2 3.72Å; Y11-L28 HydrophobicContact CD2-CD1 3.9Å; Y11-L28 HydrophobicContact CE2-CD1 3.42Å; Y11-L28 VanDerWaalsContact CE2-CD1 3.42Å; Y11-W31 AromaticContact CD2-CD2 3.59Å; Y11-W31 HydrophobicContact CD2-CD2 3.59Å; Y11-W31 AromaticContact CD2-CE2 3.85Å; Y11-W31 AromaticContact CD2-CE3 3.51Å; Y11-W31 HydrophobicContact CD2-CE3 3.51Å; Y11-W31 HydrophobicContact CD2-CG 4.22Å; Y11-W31 AromaticContact CD2-CH2 3.93Å; Y11-W31 HydrophobicContact CD2-CH2 3.93Å; Y11-W31 HydrophobicContact CD2-CZ2 4.04Å; Y11-W31 AromaticContact CD2-CZ3 3.68Å; Y11-W31 HydrophobicContact CD2-CZ3 3.68Å; Y11-W31 HydrophobicContact CE2-CB 4.28Å; Y11-W31 AromaticContact CE2-CD2 3.79Å; Y11-W31 HydrophobicContact CE2-CD2 3.79Å; Y11-W31 AromaticContact CE2-CE3 3.85Å; Y11-W31 HydrophobicContact CE2-CE3 3.85Å; Y11-W31 AromaticContact CE2-CG 3.97Å; Y11-W31 HydrophobicContact CE2-CG 3.97Å; Y11-W31 HydrophobicContact CE2-CZ3 4.45Å
12P67.6Low69.2Low76 Ų7682.2 Ų82.249%0.49440%0.399SS..SBendtrans-68.1-31.2-170-21.831.7000114.6Q10 Q14Q10-P12 WeakPolarHBondContact O-CD 3.4Å; P12-Q14 PolarHBondContact O-N 3.18Å
13W66.1Low69.5Low113 Ų11386.8 Ų86.843%0.42842%0.422SS..SBendtrans-90.3101.2-175.5-60.3-65.2000109.3Y11 G15 R27 W31Y11-W13 HydrophobicContact CD1-CB 4.35Å; Y11-W13 VanDerWaalsContact CD1-O 3.27Å; Y11-W13 WeakPolarHBondContact CD1-O 3.46Å; Y11-W13 HydrophobicContact CE1-CB 3.86Å; Y11-W13 HydrophobicContact CE1-CE3 4.06Å; Y11-W13 AromaticContact CE2-CE3 3.77Å; Y11-W13 HydrophobicContact CE2-CE3 3.77Å; Y11-W13 HydrophobicContact CE2-CZ3 4.09Å; Y11-W13 AromaticContact CZ-CE3 3.49Å; Y11-W13 VanDerWaalsContact CZ-CE3 3.49Å; Y11-W13 PolarHBondContact O-N 2.96Å; W13-G15 PolarHBondContact O-N 2.97Å; W13-R27 HydrophobicContact CH2-CG 4.44Å; W13-R27 HydrophobicContact CZ3-CG 4.07Å; W13-W31 HydrophobicContact CZ3-CB 4.43Å; W13-W31 HydrophobicContact CZ3-CG 4.39Å
14Q55Low70Confident149 Ų14982 Ų8270%0.69640%0.403SS*.  trans-73.688.5-178.4-57.4-165.55.300109.9P12 N117P12-Q14 PolarHBondContact O-N 3.18Å; Q14-N117 PolarHBondContact NE2-ND2 3.49Å; Q14-N117 PolarHBondContact OE1-ND2 3.37Å
15G57Low70.4Confident54 Ų5472.1 Ų72.156%0.55737%0.366SS*.SBendtrans-158.2160.8178.700000112.6W13 V17W13-G15 PolarHBondContact O-N 2.97Å; G15-V17 PolarHBondContact O-N 2.88Å
16K61.8Low70.8Confident211 Ų21170.9 Ų70.992%0.91736%0.359SS*.  trans-67.597.9166.2-73.5179.1-178.91750106.7N18K16-N18 PolarHBondContact O-N 2.94Å; K16-N18 VanDerWaalsContact O-N 3.12Å
17V65Low71.1Confident22 Ų2275.5 Ų75.513%0.13338%0.375CS..  trans-58.7117.9173.7179.90000108.2L6 Y11 G15 V19 L28L6-V17 HydrophobicContact CD1-CB 4.25Å; L6-V17 HydrophobicContact CD1-CG2 3.71Å; Y11-V17 HydrophobicContact CD1-CG2 4.29Å; Y11-V17 HydrophobicContact CE1-CG2 3.72Å; G15-V17 PolarHBondContact O-N 2.88Å; V17-V19 PolarHBondContact O-N 2.84Å; V17-L28 HydrophobicContact CG1-CD2 4.22Å
18N70.4Confident71.6Confident86 Ų8673.2 Ų73.246%0.4636%0.361SS..  trans-86.2104.4174-171.110.7000108.6K16 E20 D21 E24K16-N18 PolarHBondContact O-N 2.94Å; K16-N18 VanDerWaalsContact O-N 3.12Å; N18-E20 PolarHBondContact O-N 3.15Å; N18-E20 PolarHBondContact OD1-N 3.29Å; N18-D21 HydrophobicContact CB-CB 4.4Å; N18-D21 PolarHBondContact O-N 2.7Å; N18-E24 PolarHBondContact N-OE2 3.15Å
19V70.1Confident72.2Confident12 Ų1271.3 Ų71.37%0.07335%0.35CS..THydrogen-bonded Turntrans-68.7-13.5-179.5174.50000112.2F2 V17 F25 R77 A78 I81F2-V19 HydrophobicContact CD2-CG2 3.95Å; F2-V19 HydrophobicContact CE2-CB 4.5Å; F2-V19 HydrophobicContact CE2-CG2 3.57Å; F2-V19 HydrophobicContact CZ-CG2 4.15Å; V17-V19 PolarHBondContact O-N 2.84Å; V19-F25 HydrophobicContact CG1-CD2 4.17Å; V19-R77 HydrophobicContact CG1-CB 4.03Å; V19-A78 HydrophobicContact CG1-CB 4.32Å; V19-I81 HydrophobicContact CB-CD1 4.27Å; V19-I81 HydrophobicContact CG1-CD1 3.66Å; V19-I81 HydrophobicContact CG2-CD1 3.86Å; V19-I81 HydrophobicContact CG2-CG2 4.36Å
20E70.2Confident72.6Confident166 Ų16672 Ų7278%0.77636%0.355SS*.THydrogen-bonded Turntrans-85.2-17.4175.9-56.7-154.3170.300113.4N18 D22N18-E20 PolarHBondContact O-N 3.15Å; N18-E20 PolarHBondContact OD1-N 3.29Å; E20-D22 PolarHBondContact O-N 2.89Å
21D78Confident73.1Confident64 Ų6469.1 Ų69.134%0.34234%0.34SS..SBendtrans-81.6117.6172.6-175.6-4.3000109.8N18 M23 E24 F25N18-D21 HydrophobicContact CB-CB 4.4Å; N18-D21 PolarHBondContact O-N 2.7Å; D21-M23 PolarHBondContact O-N 2.88Å; D21-M23 PolarHBondContact OD1-N 3.4Å; D21-E24 HydrophobicContact CB-CB 4.18Å; D21-E24 HydrophobicContact CB-CG 4.24Å; D21-E24 PolarHBondContact O-N 3.02Å; D21-F25 VanDerWaalsContact O-CB 3.29Å; D21-F25 WeakPolarHBondContact O-CB 3.42Å; D21-F25 PolarHBondContact O-N 3.2Å
22D76.2Confident73.6Confident69 Ų6967.9 Ų67.937%0.36934%0.335SS..Hα-helixtrans-55.5-37.7179.8-77.1-17.3000112E20 R26 R77E20-D22 PolarHBondContact O-N 2.89Å; D22-R26 VanDerWaalsContact O-CB 3.31Å; D22-R26 WeakPolarHBondContact O-CB 3.48Å; D22-R26 WeakPolarHBondContact O-CD 3.05Å; D22-R26 WeakPolarHBondContact O-CG 3.35Å; D22-R26 PolarHBondContact O-N 3.22Å; D22-R77 IonicContact OD1-CZ 2.79Å; D22-R77 IonicContact OD1-NH1 2.79Å; D22-R77 PolarHBondContact OD1-NH1 3.27Å; D22-R77 IonicContact OD1-NH2 2.63Å; D22-R77 PolarHBondContact OD1-NH2 3.17Å
23M77.6Confident74.2Confident132 Ų13264.3 Ų64.365%0.6531%0.312SS*.Hα-helixtrans-73.6-41.7-178.2-70.1-139.2-65.700112.2D21 R27D21-M23 PolarHBondContact O-N 2.88Å; D21-M23 PolarHBondContact OD1-N 3.4Å; M23-R27 VanDerWaalsContact O-CB 3.23Å; M23-R27 WeakPolarHBondContact O-CB 3.38Å; M23-R27 PolarHBondContact O-N 3.27Å
24E78Confident74.7Confident75 Ų7562 Ų6235%0.3531%0.308SS..Hα-helixtrans-67.5-38.9175.6-68.4-165.1169.100111.6N18 D21 R27 L28N18-E24 PolarHBondContact N-OE2 3.15Å; D21-E24 HydrophobicContact CB-CB 4.18Å; D21-E24 HydrophobicContact CB-CG 4.24Å; D21-E24 PolarHBondContact O-N 3.02Å; E24-R27 PolarHBondContact O-N 3.44Å; E24-L28 WeakPolarHBondContact O-CB 3.37Å; E24-L28 PolarHBondContact O-N 2.92Å
25F80Confident75.5Confident9 Ų960.8 Ų60.84%0.03930%0.303CS..Hα-helixtrans-57.4-55.9174.2-179.8-90000111.3V19 D21 R27 L28 V29 W56 F60 R77 I81V19-F25 HydrophobicContact CG1-CD2 4.17Å; D21-F25 VanDerWaalsContact O-CB 3.29Å; D21-F25 WeakPolarHBondContact O-CB 3.42Å; D21-F25 PolarHBondContact O-N 3.2Å; F25-R27 VanDerWaalsContact C-N 3.31Å; F25-R27 PolarHBondContact O-N 3.42Å; F25-L28 PolarHBondContact O-N 2.89Å; F25-L28 VanDerWaalsContact O-N 3.16Å; F25-V29 HydrophobicContact CD1-CG2 4.39Å; F25-V29 HydrophobicContact CE1-CG2 4.04Å; F25-V29 HydrophobicContact CZ-CG2 4.22Å; F25-V29 WeakPolarHBondContact O-CG2 3.35Å; F25-V29 PolarHBondContact O-N 3.03Å; F25-W56 AromaticContact CD1-CH2 3.86Å; F25-W56 HydrophobicContact CD1-CH2 3.86Å; F25-W56 HydrophobicContact CD1-CZ3 4.08Å; F25-W56 AromaticContact CE1-CH2 3.65Å; F25-W56 HydrophobicContact CE1-CH2 3.65Å; F25-W56 AromaticContact CE1-CZ3 3.84Å; F25-W56 HydrophobicContact CE1-CZ3 3.84Å; F25-F60 HydrophobicContact CE1-CD1 4.41Å; F25-F60 AromaticContact CE1-CE1 3.89Å; F25-F60 HydrophobicContact CE1-CE1 3.89Å; F25-F60 HydrophobicContact CE1-CE2 4.44Å; F25-F60 AromaticContact CE1-CZ 3.91Å; F25-F60 HydrophobicContact CE1-CZ 3.91Å; F25-F60 AromaticContact CZ-CE1 3.8Å; F25-F60 HydrophobicContact CZ-CE1 3.8Å; F25-F60 AromaticContact CZ-CZ 3.68Å; F25-F60 HydrophobicContact CZ-CZ 3.68Å; F25-R77 HydrophobicContact CD2-CB 4.39Å; F25-R77 HydrophobicContact CE2-CB 3.96Å; F25-R77 HydrophobicContact CE2-CG 4.3Å; F25-I81 HydrophobicContact CD2-CD1 3.13Å; F25-I81 HydrophobicContact CD2-CG1 3.96Å; F25-I81 HydrophobicContact CE2-CD1 3.25Å; F25-I81 HydrophobicContact CE2-CG1 3.52Å; F25-I81 HydrophobicContact CG-CD1 4.15Å; F25-I81 HydrophobicContact CZ-CD1 4.36Å; F25-I81 HydrophobicContact CZ-CG1 4.35Å
26R82.5Confident76.4Confident31 Ų3160.8 Ų60.812%0.11729%0.287CS..Hα-helixtrans-61.2-40.8-178.9-70.2176.4-179.1-154.7-4.9111.5D22 V29 S30 I51 S53 W56 D57D22-R26 VanDerWaalsContact O-CB 3.31Å; D22-R26 WeakPolarHBondContact O-CB 3.48Å; D22-R26 WeakPolarHBondContact O-CD 3.05Å; D22-R26 WeakPolarHBondContact O-CG 3.35Å; D22-R26 PolarHBondContact O-N 3.22Å; R26-V29 PolarHBondContact O-N 3.17Å; R26-S30 WeakPolarHBondContact O-CB 3.33Å; R26-S30 PolarHBondContact O-N 3.16Å; R26-I51 HydrophobicContact CB-CB 4.34Å; R26-I51 HydrophobicContact CB-CG1 4.2Å; R26-I51 HydrophobicContact CB-CG2 3.71Å; R26-I51 VanDerWaalsContact CD-O 3.24Å; R26-I51 WeakPolarHBondContact CD-O 3.35Å; R26-I51 PolarHBondContact NH1-O 2.65Å; R26-S53 PolarHBondContact NH1-O 3.32Å; R26-W56 HydrophobicContact CB-CD2 4.44Å; R26-W56 HydrophobicContact CB-CH2 4.24Å; R26-W56 HydrophobicContact CB-CZ2 3.84Å; R26-W56 HydrophobicContact CG-CD2 3.65Å; R26-W56 HydrophobicContact CG-CE3 3.66Å; R26-W56 HydrophobicContact CG-CG 4.42Å; R26-W56 HydrophobicContact CG-CH2 3.68Å; R26-W56 HydrophobicContact CG-CZ2 3.66Å; R26-W56 HydrophobicContact CG-CZ3 3.67Å; R26-D57 IonicContact NH2-OD1 3.81Å; R26-D57 PolarHBondContact NH2-OD1 3.27Å; R26-D57 IonicContact NH2-OD2 3.28Å; R26-D57 PolarHBondContact NH2-OD2 3.42Å
27R81.6Confident77Confident113 Ų11351.5 Ų51.543%0.42625%0.247SC..Hα-helixtrans-63.8-41.6175.7-172179.7-174.1161.57.6112.4W13 M23 E24 F25 W31 I51W13-R27 HydrophobicContact CH2-CG 4.44Å; W13-R27 HydrophobicContact CZ3-CG 4.07Å; M23-R27 VanDerWaalsContact O-CB 3.23Å; M23-R27 WeakPolarHBondContact O-CB 3.38Å; M23-R27 PolarHBondContact O-N 3.27Å; E24-R27 PolarHBondContact O-N 3.44Å; F25-R27 VanDerWaalsContact C-N 3.31Å; F25-R27 PolarHBondContact O-N 3.42Å; R27-W31 WeakPolarHBondContact O-CB 3.27Å; R27-W31 PolarHBondContact O-N 3.4Å; R27-I51 HydrophobicContact CB-CD1 4.04Å; R27-I51 HydrophobicContact CG-CD1 4.36Å
28L80.7Confident77.4Confident1 Ų153 Ų531%0.00526%0.259CS..Hα-helixtrans-64.1-46177.2178.767.1000111.2L6 Y11 V17 E24 F25 W31 L32 I81L6-L28 HydrophobicContact CD2-CD1 3.74Å; Y11-L28 HydrophobicContact CD2-CD1 3.9Å; Y11-L28 HydrophobicContact CE2-CD1 3.42Å; Y11-L28 VanDerWaalsContact CE2-CD1 3.42Å; V17-L28 HydrophobicContact CG1-CD2 4.22Å; E24-L28 WeakPolarHBondContact O-CB 3.37Å; E24-L28 PolarHBondContact O-N 2.92Å; F25-L28 PolarHBondContact O-N 2.89Å; F25-L28 VanDerWaalsContact O-N 3.16Å; L28-W31 HydrophobicContact CD1-CE3 4.39Å; L28-W31 PolarHBondContact O-N 3.39Å; L28-L32 HydrophobicContact CD1-CD1 4.5Å; L28-L32 HydrophobicContact CD1-CG 4.45Å; L28-L32 HydrophobicContact CG-CD1 4.16Å; L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 3.04Å; L28-I81 HydrophobicContact CD2-CD1 3.85Å; L28-I81 HydrophobicContact CD2-CG1 4.26Å; L28-I81 HydrophobicContact CD2-CG2 3.94Å
29V81.8Confident77.3Confident1 Ų153 Ų531%0.00626%0.258CS..Hα-helixtrans-62.1-46.9177.9172.40000110.9F25 R26 W31 L32 E33 L48 W56 F60 Y63 L84F25-V29 HydrophobicContact CD1-CG2 4.39Å; F25-V29 HydrophobicContact CE1-CG2 4.04Å; F25-V29 HydrophobicContact CZ-CG2 4.22Å; F25-V29 WeakPolarHBondContact O-CG2 3.35Å; F25-V29 PolarHBondContact O-N 3.03Å; R26-V29 PolarHBondContact O-N 3.17Å; V29-W31 VanDerWaalsContact C-N 3.28Å; V29-W31 PolarHBondContact O-N 3.06Å; V29-L32 PolarHBondContact O-N 3.4Å; V29-E33 PolarHBondContact O-N 3.42Å; V29-L48 HydrophobicContact CG1-CD2 4.44Å; V29-W56 HydrophobicContact CB-CH2 4.26Å; V29-W56 HydrophobicContact CB-CZ2 4.13Å; V29-W56 HydrophobicContact CG1-CH2 4.31Å; V29-W56 HydrophobicContact CG1-CZ2 4.1Å; V29-W56 HydrophobicContact CG2-CH2 4.37Å; V29-F60 HydrophobicContact CB-CE2 4.34Å; V29-F60 HydrophobicContact CG1-CD2 3.81Å; V29-F60 HydrophobicContact CG1-CE2 3.61Å; V29-F60 HydrophobicContact CG2-CE2 3.83Å; V29-F60 HydrophobicContact CG2-CZ 4.32Å; V29-Y63 HydrophobicContact CG1-CD1 4.43Å; V29-Y63 HydrophobicContact CG1-CE1 4.16Å; V29-L84 HydrophobicContact CG2-CD1 4.22Å
30S81.5Confident76.9Confident14 Ų1453.8 Ų53.810%0.09826%0.26CS..Hα-helixtrans-58.7-41176.3-176.60000112R26 N34 G49R26-S30 WeakPolarHBondContact O-CB 3.33Å; R26-S30 PolarHBondContact O-N 3.16Å; S30-N34 VanDerWaalsContact O-CB 3.29Å; S30-N34 WeakPolarHBondContact O-CB 3.35Å; S30-N34 PolarHBondContact O-N 2.93Å; S30-N34 PolarHBondContact O-ND2 2.85Å; S30-N34 VanDerWaalsContact O-ND2 3.15Å; S30-G49 WeakPolarHBondContact OG-CA 3.44Å
31W82.5Confident76.4Confident26 Ų2654.1 Ų54.110%0.09826%0.259CS..Hα-helixtrans-66.4-44.4176.1177.987.3000112.4L9 Y11 W13 R27 L28 V29 E33 N34 Q35 K36L9-W31 HydrophobicContact CB-CH2 3.88Å; L9-W31 HydrophobicContact CB-CZ3 4.18Å; L9-W31 WeakPolarHBondContact O-CH2 3.41Å; Y11-W31 AromaticContact CD2-CD2 3.59Å; Y11-W31 HydrophobicContact CD2-CD2 3.59Å; Y11-W31 AromaticContact CD2-CE2 3.85Å; Y11-W31 AromaticContact CD2-CE3 3.51Å; Y11-W31 HydrophobicContact CD2-CE3 3.51Å; Y11-W31 HydrophobicContact CD2-CG 4.22Å; Y11-W31 AromaticContact CD2-CH2 3.93Å; Y11-W31 HydrophobicContact CD2-CH2 3.93Å; Y11-W31 HydrophobicContact CD2-CZ2 4.04Å; Y11-W31 AromaticContact CD2-CZ3 3.68Å; Y11-W31 HydrophobicContact CD2-CZ3 3.68Å; Y11-W31 HydrophobicContact CE2-CB 4.28Å; Y11-W31 AromaticContact CE2-CD2 3.79Å; Y11-W31 HydrophobicContact CE2-CD2 3.79Å; Y11-W31 AromaticContact CE2-CE3 3.85Å; Y11-W31 HydrophobicContact CE2-CE3 3.85Å; Y11-W31 AromaticContact CE2-CG 3.97Å; Y11-W31 HydrophobicContact CE2-CG 3.97Å; Y11-W31 HydrophobicContact CE2-CZ3 4.45Å; W13-W31 HydrophobicContact CZ3-CB 4.43Å; W13-W31 HydrophobicContact CZ3-CG 4.39Å; R27-W31 WeakPolarHBondContact O-CB 3.27Å; R27-W31 PolarHBondContact O-N 3.4Å; L28-W31 HydrophobicContact CD1-CE3 4.39Å; L28-W31 PolarHBondContact O-N 3.39Å; V29-W31 VanDerWaalsContact C-N 3.28Å; V29-W31 PolarHBondContact O-N 3.06Å; W31-E33 VanDerWaalsContact C-N 3.31Å; W31-E33 PolarHBondContact O-N 3.12Å; W31-N34 PolarHBondContact O-N 3.22Å; W31-Q35 HydrophobicContact CZ2-CB 4.5Å; W31-Q35 WeakPolarHBondContact O-CB 3.33Å; W31-Q35 PolarHBondContact O-N 3.45Å; W31-K36 HydrophobicContact CH2-CG 4.29Å; W31-K36 HydrophobicContact CZ3-CG 4.36Å
32L81.6Confident75.5Confident1 Ų156.2 Ų56.21%0.00527%0.274CS..Hα-helixtrans-59.6-44.2178.4-77.6171.2000111.2L9 L28 V29 K36 I37 L84 L85 A88L9-L32 HydrophobicContact CD1-CD2 3.86Å; L28-L32 HydrophobicContact CD1-CD1 4.5Å; L28-L32 HydrophobicContact CD1-CG 4.45Å; L28-L32 HydrophobicContact CG-CD1 4.16Å; L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 3.04Å; V29-L32 PolarHBondContact O-N 3.4Å; L32-K36 WeakPolarHBondContact O-CA 3.33Å; L32-K36 PolarHBondContact O-N 3.46Å; L32-I37 HydrophobicContact CB-CD1 4.26Å; L32-I37 PolarHBondContact O-N 2.94Å; L32-L84 HydrophobicContact CD1-CB 4.17Å; L32-L85 HydrophobicContact CD1-CD2 4.03Å; L32-L85 HydrophobicContact CD1-CG 4.46Å; L32-L85 HydrophobicContact CD2-CD2 4.01Å; L32-A88 HydrophobicContact CD2-CB 4.01Å
33E79.7Confident74.5Confident2 Ų260.2 Ų60.21%0.00929%0.29CS..Iπ-helixtrans-67.1-43.4177.6179.955-164.700111.8V29 W31 Q35 I37 C38 L39 Y40 L48 Y63V29-E33 PolarHBondContact O-N 3.42Å; W31-E33 VanDerWaalsContact C-N 3.31Å; W31-E33 PolarHBondContact O-N 3.12Å; E33-Q35 PolarHBondContact O-N 3.34Å; E33-I37 WeakPolarHBondContact OE2-CB 3.46Å; E33-I37 WeakPolarHBondContact OE2-CG2 3.48Å; E33-C38 VanDerWaalsContact O-CA 3.25Å; E33-C38 WeakPolarHBondContact O-CA 3.43Å; E33-C38 PolarHBondContact O-N 3.42Å; E33-L39 PolarHBondContact OE1-N 3.23Å; E33-L39 PolarHBondContact OE2-N 3.44Å; E33-Y40 PolarHBondContact OE1-N 3.03Å; E33-L48 HydrophobicContact CG-CD1 4.34Å; E33-Y63 HydrophobicContact CG-CE2 4.17Å; E33-Y63 WeakPolarHBondContact OE2-CE2 3.38Å; E33-Y63 VanDerWaalsContact OE2-CZ 3.26Å; E33-Y63 PolarHBondContact OE2-OH 2.95Å
34N76.8Confident73.8Confident65 Ų6558 Ų5835%0.34828%0.281SS..Iπ-helixtrans-68.9-31.3-177.9-83.7-37.8000114.1S30 W31 C38 R45S30-N34 VanDerWaalsContact O-CB 3.29Å; S30-N34 WeakPolarHBondContact O-CB 3.35Å; S30-N34 PolarHBondContact O-N 2.93Å; S30-N34 PolarHBondContact O-ND2 2.85Å; S30-N34 VanDerWaalsContact O-ND2 3.15Å; W31-N34 PolarHBondContact O-N 3.22Å; N34-C38 PolarHBondContact O-SG 3.05Å; N34-R45 WeakPolarHBondContact OD1-CD 3.21Å
35Q72.4Confident73.1Confident123 Ų12357 Ų5758%0.57527%0.274SS*.Iπ-helixtrans-110.4-35.4-170.3-68.2-66.4-41.700114W31 E33W31-Q35 HydrophobicContact CZ2-CB 4.5Å; W31-Q35 WeakPolarHBondContact O-CB 3.33Å; W31-Q35 PolarHBondContact O-N 3.45Å; E33-Q35 PolarHBondContact O-N 3.34Å
36K75.2Confident72.3Confident53 Ų5366 Ų6623%0.2331%0.308CS..Iπ-helixtrans-118.6-46.1-166.4-56-56-170.9-179.10113.3L9 W31 L32 A88 I92L9-K36 HydrophobicContact CD2-CG 4.33Å; L9-K36 WeakPolarHBondContact O-CE 3.32Å; L9-K36 PolarHBondContact O-NZ 2.95Å; L9-K36 VanDerWaalsContact O-NZ 3.08Å; W31-K36 HydrophobicContact CH2-CG 4.29Å; W31-K36 HydrophobicContact CZ3-CG 4.36Å; L32-K36 WeakPolarHBondContact O-CA 3.33Å; L32-K36 PolarHBondContact O-N 3.46Å; K36-A88 HydrophobicContact CB-CB 4Å; K36-I92 HydrophobicContact CD-CD1 3.96Å
37I76.4Confident71.6Confident16 Ų1668.6 Ų68.68%0.08232%0.324CS..Iπ-helixtrans-87.6-44.1-173.6-59.2175.3000110.8L32 E33 L39 L67 L84 A88 L91L32-I37 HydrophobicContact CB-CD1 4.26Å; L32-I37 PolarHBondContact O-N 2.94Å; E33-I37 WeakPolarHBondContact OE2-CB 3.46Å; E33-I37 WeakPolarHBondContact OE2-CG2 3.48Å; I37-L39 HydrophobicContact CG2-CB 4.22Å; I37-L39 PolarHBondContact O-N 2.99Å; I37-L67 HydrophobicContact CG2-CD2 3.64Å; I37-L84 HydrophobicContact CD1-CD2 4.15Å; I37-A88 HydrophobicContact CD1-CB 4.4Å; I37-A88 HydrophobicContact CG1-CB 4.06Å; I37-L91 HydrophobicContact CB-CD1 4.32Å; I37-L91 HydrophobicContact CG1-CD1 4.23Å; I37-L91 HydrophobicContact CG2-CD1 4.21Å
38C72.8Confident71Confident55 Ų5563.3 Ų63.337%0.37230%0.304SS..  trans46.835.3174.8-76.70000114.7E33 N34E33-C38 VanDerWaalsContact O-CA 3.25Å; E33-C38 WeakPolarHBondContact O-CA 3.43Å; E33-C38 PolarHBondContact O-N 3.42Å; N34-C38 PolarHBondContact O-SG 3.05Å
39L67.1Low70.3Confident84 Ų8464.8 Ų64.844%0.4432%0.32SS..  trans-66.4-42.8-177.5-17276.4000111.2E33 I37 Y63 D66 L67E33-L39 PolarHBondContact OE1-N 3.23Å; E33-L39 PolarHBondContact OE2-N 3.44Å; I37-L39 HydrophobicContact CG2-CB 4.22Å; I37-L39 PolarHBondContact O-N 2.99Å; L39-Y63 HydrophobicContact CB-CE2 4.45Å; L39-Y63 HydrophobicContact CD2-CE2 4.5Å; L39-D66 HydrophobicContact CD2-CB 3.99Å; L39-L67 HydrophobicContact CB-CD2 4.28Å; L39-L67 HydrophobicContact CD1-CD2 4.36Å; L39-L67 HydrophobicContact CD2-CD2 3.73Å; L39-L67 HydrophobicContact CD2-CG 3.92Å; L39-L67 HydrophobicContact CG-CD2 4.34Å
40Y63.5Low69.8Low30 Ų3069 Ų6912%0.11834%0.342CS..SBendtrans-84.9148-178-72.8-51.7000112.4E33 N44 R45 L48 Y63 D66E33-Y40 PolarHBondContact OE1-N 3.03Å; Y40-N44 HydrophobicContact CD1-CB 4.03Å; Y40-N44 HydrophobicContact CG-CB 4Å; Y40-R45 VanDerWaalsContact O-CZ 3.28Å; Y40-R45 PolarHBondContact O-NE 2.87Å; Y40-R45 PolarHBondContact O-NH2 3.48Å; Y40-L48 HydrophobicContact CD2-CD1 3.73Å; Y40-L48 HydrophobicContact CE2-CD1 3.69Å; Y40-Y63 AromaticContact CD2-CD2 3.88Å; Y40-Y63 HydrophobicContact CD2-CD2 3.88Å; Y40-Y63 HydrophobicContact CD2-CE2 4.21Å; Y40-Y63 AromaticContact CE2-CD2 3.27Å; Y40-Y63 HydrophobicContact CE2-CD2 3.27Å; Y40-Y63 HydrophobicContact CE2-CE2 4.05Å; Y40-Y63 HydrophobicContact CE2-CG 4.06Å; Y40-Y63 VanDerWaalsContact OH-CA 3.32Å; Y40-Y63 WeakPolarHBondContact OH-CA 3.31Å; Y40-D66 WeakPolarHBondContact CE1-OD2 3.22Å; Y40-D66 PolarHBondContact OH-OD2 2.93Å
41K59.2Low69.3Low172 Ų17270.7 Ų70.775%0.74835%0.35SS*.  trans-69.4154.2165.6-67.3-179-179.6177.20109.2Q43 N44 R45K41-Q43 PolarHBondContact O-N 3.46Å; K41-N44 PolarHBondContact O-N 2.99Å; K41-N44 VanDerWaalsContact O-N 3.08Å; K41-R45 PolarHBondContact O-N 3.33Å
42T58.4Low68.8Low108 Ų10873.6 Ų73.666%0.66338%0.38SS*.THydrogen-bonded Turntrans-50.4-22-168.7-23.70000115.6
43Q56.3Low68.5Low154 Ų15474.9 Ų74.972%0.7239%0.389SS*.THydrogen-bonded Turntrans-75.4-52.5179.2-68.4163.7-17.900112K41 R45 R46K41-Q43 PolarHBondContact O-N 3.46Å; Q43-R45 PolarHBondContact O-N 3.33Å; Q43-R46 PolarHBondContact O-N 2.82Å
44N62Low68.3Low85 Ų8580.2 Ų80.246%0.45542%0.423SS..THydrogen-bonded Turntrans-72.6-12.8-179.7-58.85.1000112.5Y40 K41 R46Y40-N44 HydrophobicContact CD1-CB 4.03Å; Y40-N44 HydrophobicContact CG-CB 4Å; K41-N44 PolarHBondContact O-N 2.99Å; K41-N44 VanDerWaalsContact O-N 3.08Å; N44-R46 VanDerWaalsContact C-N 3.26Å; N44-R46 PolarHBondContact O-N 3.16Å
45R64Low68.5Low53 Ų5382.4 Ų82.420%0.244%0.435CS..Hα-helixtrans-68.1-25173.4-66.1-174-165.5-177.3-2113.1N34 Y40 K41 Q43 D47 L48 G49N34-R45 WeakPolarHBondContact OD1-CD 3.21Å; Y40-R45 VanDerWaalsContact O-CZ 3.28Å; Y40-R45 PolarHBondContact O-NE 2.87Å; Y40-R45 PolarHBondContact O-NH2 3.48Å; K41-R45 PolarHBondContact O-N 3.33Å; Q43-R45 PolarHBondContact O-N 3.33Å; R45-D47 VanDerWaalsContact C-N 3.31Å; R45-D47 PolarHBondContact O-N 2.9Å; R45-L48 PolarHBondContact O-N 3.29Å; R45-G49 PolarHBondContact O-N 3.32Å; R45-G49 VanDerWaalsContact O-N 3.07Å
46R61.8Low68.9Low198 Ų19876.6 Ų76.675%0.74741%0.408SS*.Hα-helixtrans-66.9-35.3-178.4-70.7-173.8179.5179.4-0.7111.7Q43 N44 L48 G49 D50Q43-R46 PolarHBondContact O-N 2.82Å; N44-R46 VanDerWaalsContact C-N 3.26Å; N44-R46 PolarHBondContact O-N 3.16Å; R46-L48 VanDerWaalsContact C-N 3.34Å; R46-L48 PolarHBondContact O-N 3.32Å; R46-G49 CarbonylContact O-C 3.57Å; R46-G49 WeakPolarHBondContact O-CA 3.42Å; R46-G49 PolarHBondContact O-N 2.99Å; R46-D50 PolarHBondContact O-N 2.84Å
47D67.7Low69Low87 Ų8777.5 Ų77.547%0.46542%0.415SS..Hα-helixtrans-68.8-33.6-177.9-54-35.4000112R45 V59R45-D47 VanDerWaalsContact C-N 3.31Å; R45-D47 PolarHBondContact O-N 2.9Å; D47-V59 HydrophobicContact CB-CG1 3.92Å; D47-V59 HydrophobicContact CB-CG2 4.26Å
48L70Confident69.2Low2 Ų279.8 Ų79.81%0.0144%0.436CS..Hα-helixtrans-79-22.2170.6-78.9158.7000113.2V29 E33 Y40 R45 R46 W56 V59 F60 Y63V29-L48 HydrophobicContact CG1-CD2 4.44Å; E33-L48 HydrophobicContact CG-CD1 4.34Å; Y40-L48 HydrophobicContact CD2-CD1 3.73Å; Y40-L48 HydrophobicContact CE2-CD1 3.69Å; R45-L48 PolarHBondContact O-N 3.29Å; R46-L48 VanDerWaalsContact C-N 3.34Å; R46-L48 PolarHBondContact O-N 3.32Å; L48-W56 HydrophobicContact CD2-CZ2 4.35Å; L48-W56 PolarHBondContact O-NE1 2.66Å; L48-V59 HydrophobicContact CD2-CG1 4.19Å; L48-V59 HydrophobicContact CG-CG1 3.87Å; L48-F60 HydrophobicContact CD2-CD2 4.4Å; L48-Y63 HydrophobicContact CD1-CD1 4.46Å; L48-Y63 HydrophobicContact CD1-CD2 3.97Å; L48-Y63 HydrophobicContact CD1-CE2 4.38Å; L48-Y63 HydrophobicContact CD1-CG 3.95Å; L48-Y63 HydrophobicContact CD2-CD1 4.45Å; L48-Y63 HydrophobicContact CD2-CG 4.43Å
49G65.3Low69.6Low32 Ų3279.1 Ų79.133%0.3343%0.43SS..Hα-helixtrans-81.8-21178.100000114.2S30 R45 R46 I51S30-G49 WeakPolarHBondContact OG-CA 3.44Å; R45-G49 PolarHBondContact O-N 3.32Å; R45-G49 VanDerWaalsContact O-N 3.07Å; R46-G49 CarbonylContact O-C 3.57Å; R46-G49 WeakPolarHBondContact O-CA 3.42Å; R46-G49 PolarHBondContact O-N 2.99Å; G49-I51 VanDerWaalsContact C-N 3.32Å; G49-I51 PolarHBondContact O-N 3.2Å
50D72.7Confident70.2Confident88 Ų8875.7 Ų75.747%0.47141%0.412SS..  trans-80.980.6174.3-168.22.4000110.9R46 A52 S53R46-D50 PolarHBondContact O-N 2.84Å; D50-A52 PolarHBondContact O-N 2.99Å; D50-A52 VanDerWaalsContact O-N 3.12Å; D50-S53 WeakPolarHBondContact O-CB 3.47Å; D50-S53 PolarHBondContact O-N 3.07Å; D50-S53 VanDerWaalsContact O-N 3.1Å
51I70.9Confident71Confident50 Ų5078.9 Ų78.926%0.25643%0.428SS..THydrogen-bonded Turntrans-57.7-26.5-175.6-64.7161.8000112.2R26 R27 G49R26-I51 HydrophobicContact CB-CB 4.34Å; R26-I51 HydrophobicContact CB-CG1 4.2Å; R26-I51 HydrophobicContact CB-CG2 3.71Å; R26-I51 VanDerWaalsContact CD-O 3.24Å; R26-I51 WeakPolarHBondContact CD-O 3.35Å; R26-I51 PolarHBondContact NH1-O 2.65Å; R27-I51 HydrophobicContact CB-CD1 4.04Å; R27-I51 HydrophobicContact CG-CD1 4.36Å; G49-I51 VanDerWaalsContact C-N 3.32Å; G49-I51 PolarHBondContact O-N 3.2Å
52A71.2Confident72Confident88 Ų8875.5 Ų75.573%0.72742%0.415SS*.THydrogen-bonded Turntrans-92-3.9-177.100000113.9D50D50-A52 PolarHBondContact O-N 2.99Å; D50-A52 VanDerWaalsContact O-N 3.12Å
53S75.4Confident73.1Confident28 Ų2870.4 Ų70.420%0.19638%0.383CS..  trans-67.3135.2-177.7-178.30000111.7R26 D50 N55 W56R26-S53 PolarHBondContact NH1-O 3.32Å; D50-S53 WeakPolarHBondContact O-CB 3.47Å; D50-S53 PolarHBondContact O-N 3.07Å; D50-S53 VanDerWaalsContact O-N 3.1Å; S53-N55 PolarHBondContact O-N 3.05Å; S53-N55 PolarHBondContact OG-N 3.25Å; S53-W56 VanDerWaalsContact O-CB 3.29Å; S53-W56 WeakPolarHBondContact O-CB 3.43Å; S53-W56 PolarHBondContact O-N 2.96Å
54P76.3Confident74.2Confident113 Ų11363.2 Ų63.273%0.73435%0.35SS*.THydrogen-bonded Turntrans-68-20.3174.228-34.3000112.5W56P54-W56 VanDerWaalsContact C-N 3.32Å
55N80Confident75.1Confident111 Ų11163.5 Ų63.559%0.59436%0.355SS*.THydrogen-bonded Turntrans-89.22.1178.5-66.7-16.5000112.9S53 D57 A58 V59S53-N55 PolarHBondContact O-N 3.05Å; S53-N55 PolarHBondContact OG-N 3.25Å; N55-D57 VanDerWaalsContact C-N 3.26Å; N55-D57 PolarHBondContact O-N 2.91Å; N55-A58 WeakPolarHBondContact O-CB 3.41Å; N55-A58 PolarHBondContact O-N 3Å; N55-A58 VanDerWaalsContact O-N 3.14Å; N55-V59 WeakPolarHBondContact O-CG2 3.28Å; N55-V59 PolarHBondContact O-N 3.29Å; N55-V59 VanDerWaalsContact O-N 3.13Å
56W80.7Confident75.9Confident1 Ų164.2 Ų64.20%0.00436%0.362CS..Hα-helixtrans-58.2-39.5-174.3-170.192.8000112.2F25 R26 V29 L48 S53 P54 A58 V59 F60F25-W56 AromaticContact CD1-CH2 3.86Å; F25-W56 HydrophobicContact CD1-CH2 3.86Å; F25-W56 HydrophobicContact CD1-CZ3 4.08Å; F25-W56 AromaticContact CE1-CH2 3.65Å; F25-W56 HydrophobicContact CE1-CH2 3.65Å; F25-W56 AromaticContact CE1-CZ3 3.84Å; F25-W56 HydrophobicContact CE1-CZ3 3.84Å; R26-W56 HydrophobicContact CB-CD2 4.44Å; R26-W56 HydrophobicContact CB-CH2 4.24Å; R26-W56 HydrophobicContact CB-CZ2 3.84Å; R26-W56 HydrophobicContact CG-CD2 3.65Å; R26-W56 HydrophobicContact CG-CE3 3.66Å; R26-W56 HydrophobicContact CG-CG 4.42Å; R26-W56 HydrophobicContact CG-CH2 3.68Å; R26-W56 HydrophobicContact CG-CZ2 3.66Å; R26-W56 HydrophobicContact CG-CZ3 3.67Å; V29-W56 HydrophobicContact CB-CH2 4.26Å; V29-W56 HydrophobicContact CB-CZ2 4.13Å; V29-W56 HydrophobicContact CG1-CH2 4.31Å; V29-W56 HydrophobicContact CG1-CZ2 4.1Å; V29-W56 HydrophobicContact CG2-CH2 4.37Å; L48-W56 HydrophobicContact CD2-CZ2 4.35Å; L48-W56 PolarHBondContact O-NE1 2.66Å; S53-W56 VanDerWaalsContact O-CB 3.29Å; S53-W56 WeakPolarHBondContact O-CB 3.43Å; S53-W56 PolarHBondContact O-N 2.96Å; P54-W56 VanDerWaalsContact C-N 3.32Å; W56-A58 VanDerWaalsContact C-N 3.33Å; W56-A58 PolarHBondContact O-N 3.39Å; W56-V59 PolarHBondContact O-N 2.94Å; W56-F60 HydrophobicContact CD2-CB 4.4Å; W56-F60 HydrophobicContact CE3-CB 3.86Å; W56-F60 HydrophobicContact CE3-CG 4.39Å; W56-F60 HydrophobicContact CH2-CB 3.86Å; W56-F60 HydrophobicContact CH2-CD1 4.21Å; W56-F60 AromaticContact CH2-CD2 3.61Å; W56-F60 HydrophobicContact CH2-CD2 3.61Å; W56-F60 HydrophobicContact CH2-CE2 4.19Å; W56-F60 AromaticContact CH2-CG 3.62Å; W56-F60 HydrophobicContact CH2-CG 3.62Å; W56-F60 HydrophobicContact CZ2-CB 4.4Å; W56-F60 HydrophobicContact CZ2-CD2 4.22Å; W56-F60 HydrophobicContact CZ2-CG 4.44Å; W56-F60 HydrophobicContact CZ3-CB 3.57Å; W56-F60 AromaticContact CZ3-CD1 3.93Å; W56-F60 HydrophobicContact CZ3-CD1 3.93Å; W56-F60 HydrophobicContact CZ3-CD2 4.09Å; W56-F60 AromaticContact CZ3-CG 3.59Å; W56-F60 HydrophobicContact CZ3-CG 3.59Å; W56-F60 VanDerWaalsContact O-CB 3.31Å; W56-F60 WeakPolarHBondContact O-CB 3.4Å; W56-F60 PolarHBondContact O-N 3.41Å
57D78Confident76.6Confident72 Ų7255.4 Ų55.439%0.38533%0.33SS..Hα-helixtrans-63.9-39.3-179.4-58.5-61.2000111.5R26 N55 F60 Q61R26-D57 IonicContact NH2-OD1 3.81Å; R26-D57 PolarHBondContact NH2-OD1 3.27Å; R26-D57 IonicContact NH2-OD2 3.28Å; R26-D57 PolarHBondContact NH2-OD2 3.42Å; N55-D57 VanDerWaalsContact C-N 3.26Å; N55-D57 PolarHBondContact O-N 2.91Å; D57-F60 PolarHBondContact O-N 3.05Å; D57-Q61 WeakPolarHBondContact O-CG 3.02Å; D57-Q61 PolarHBondContact O-N 3Å
58A80.7Confident77.1Confident64 Ų6460 Ų6053%0.52935%0.346SS..Hα-helixtrans-65.5-42.8175.500000112.1N55 W56 F60 Q61 Q62N55-A58 WeakPolarHBondContact O-CB 3.41Å; N55-A58 PolarHBondContact O-N 3Å; N55-A58 VanDerWaalsContact O-N 3.14Å; W56-A58 VanDerWaalsContact C-N 3.33Å; W56-A58 PolarHBondContact O-N 3.39Å; A58-F60 VanDerWaalsContact C-N 3.33Å; A58-Q61 WeakPolarHBondContact O-CB 3.43Å; A58-Q61 PolarHBondContact O-N 2.93Å; A58-Q62 PolarHBondContact O-N 3.46Å; A58-Q62 VanDerWaalsContact O-N 3.12Å
59V80.1Confident77.1Confident41 Ų4160.7 Ų60.725%0.24835%0.351CS..Hα-helixtrans-64.7-40.4175.8178.50000110.6D47 L48 N55 W56 Q61 Q62 Y63D47-V59 HydrophobicContact CB-CG1 3.92Å; D47-V59 HydrophobicContact CB-CG2 4.26Å; L48-V59 HydrophobicContact CD2-CG1 4.19Å; L48-V59 HydrophobicContact CG-CG1 3.87Å; N55-V59 WeakPolarHBondContact O-CG2 3.28Å; N55-V59 PolarHBondContact O-N 3.29Å; N55-V59 VanDerWaalsContact O-N 3.13Å; W56-V59 PolarHBondContact O-N 2.94Å; V59-Q61 VanDerWaalsContact C-N 3.34Å; V59-Q62 PolarHBondContact O-N 3.15Å; V59-Y63 WeakPolarHBondContact O-CB 2.97Å; V59-Y63 PolarHBondContact O-N 3.44Å
60F80.5Confident77.2Confident12 Ų1264.1 Ų64.15%0.05337%0.367CS..Hα-helixtrans-65.4-37.2176.2-178.5-114.8000112.1F25 V29 L48 W56 D57 A58 Q62 Y63 L64 V73 T80 L84F25-F60 HydrophobicContact CE1-CD1 4.41Å; F25-F60 AromaticContact CE1-CE1 3.89Å; F25-F60 HydrophobicContact CE1-CE1 3.89Å; F25-F60 HydrophobicContact CE1-CE2 4.44Å; F25-F60 AromaticContact CE1-CZ 3.91Å; F25-F60 HydrophobicContact CE1-CZ 3.91Å; F25-F60 AromaticContact CZ-CE1 3.8Å; F25-F60 HydrophobicContact CZ-CE1 3.8Å; F25-F60 AromaticContact CZ-CZ 3.68Å; F25-F60 HydrophobicContact CZ-CZ 3.68Å; V29-F60 HydrophobicContact CB-CE2 4.34Å; V29-F60 HydrophobicContact CG1-CD2 3.81Å; V29-F60 HydrophobicContact CG1-CE2 3.61Å; V29-F60 HydrophobicContact CG2-CE2 3.83Å; V29-F60 HydrophobicContact CG2-CZ 4.32Å; L48-F60 HydrophobicContact CD2-CD2 4.4Å; W56-F60 HydrophobicContact CD2-CB 4.4Å; W56-F60 HydrophobicContact CE3-CB 3.86Å; W56-F60 HydrophobicContact CE3-CG 4.39Å; W56-F60 HydrophobicContact CH2-CB 3.86Å; W56-F60 HydrophobicContact CH2-CD1 4.21Å; W56-F60 AromaticContact CH2-CD2 3.61Å; W56-F60 HydrophobicContact CH2-CD2 3.61Å; W56-F60 HydrophobicContact CH2-CE2 4.19Å; W56-F60 AromaticContact CH2-CG 3.62Å; W56-F60 HydrophobicContact CH2-CG 3.62Å; W56-F60 HydrophobicContact CZ2-CB 4.4Å; W56-F60 HydrophobicContact CZ2-CD2 4.22Å; W56-F60 HydrophobicContact CZ2-CG 4.44Å; W56-F60 HydrophobicContact CZ3-CB 3.57Å; W56-F60 AromaticContact CZ3-CD1 3.93Å; W56-F60 HydrophobicContact CZ3-CD1 3.93Å; W56-F60 HydrophobicContact CZ3-CD2 4.09Å; W56-F60 AromaticContact CZ3-CG 3.59Å; W56-F60 HydrophobicContact CZ3-CG 3.59Å; W56-F60 VanDerWaalsContact O-CB 3.31Å; W56-F60 WeakPolarHBondContact O-CB 3.4Å; W56-F60 PolarHBondContact O-N 3.41Å; D57-F60 PolarHBondContact O-N 3.05Å; A58-F60 VanDerWaalsContact C-N 3.33Å; F60-Q62 VanDerWaalsContact C-N 3.35Å; F60-Y63 HydrophobicContact CD2-CD1 4.1Å; F60-Y63 HydrophobicContact CE2-CD1 4.18Å; F60-Y63 WeakPolarHBondContact O-CB 3.42Å; F60-Y63 PolarHBondContact O-N 3.46Å; F60-L64 HydrophobicContact CD1-CD1 4.02Å; F60-L64 HydrophobicContact CE1-CD1 3.48Å; F60-L64 VanDerWaalsContact CE1-CD1 3.48Å; F60-L64 HydrophobicContact CE1-CG 4.2Å; F60-L64 HydrophobicContact CE2-CD1 4.31Å; F60-L64 HydrophobicContact CE2-CD2 4.24Å; F60-L64 HydrophobicContact CE2-CG 4.15Å; F60-L64 HydrophobicContact CZ-CD1 3.65Å; F60-L64 HydrophobicContact CZ-CD2 4.07Å; F60-L64 HydrophobicContact CZ-CG 3.96Å; F60-L64 WeakPolarHBondContact O-CG 3.36Å; F60-L64 PolarHBondContact O-N 3.29Å; F60-V73 HydrophobicContact CD1-CG1 4.43Å; F60-T80 HydrophobicContact CE1-CG2 4.45Å; F60-T80 HydrophobicContact CZ-CG2 4.04Å; F60-L84 HydrophobicContact CE2-CD1 4.23Å; F60-L84 HydrophobicContact CZ-CD1 4.29Å
61Q80Confident76.6Confident97 Ų9764.1 Ų64.145%0.45337%0.365SS..Hα-helixtrans-59.6-48.4173.1-54.1-136.5-37.900111D57 A58 V59 Y63 L64 V65 V73D57-Q61 WeakPolarHBondContact O-CG 3.02Å; D57-Q61 PolarHBondContact O-N 3Å; A58-Q61 WeakPolarHBondContact O-CB 3.43Å; A58-Q61 PolarHBondContact O-N 2.93Å; V59-Q61 VanDerWaalsContact C-N 3.34Å; Q61-Y63 VanDerWaalsContact C-N 3.29Å; Q61-Y63 PolarHBondContact O-N 3.36Å; Q61-L64 PolarHBondContact O-N 2.79Å; Q61-V65 WeakPolarHBondContact O-CG2 3.49Å; Q61-V65 PolarHBondContact O-N 3.48Å; Q61-V65 VanDerWaalsContact O-N 3.07Å; Q61-V73 HydrophobicContact CB-CG1 4.27Å; Q61-V73 HydrophobicContact CB-CG2 3.86Å; Q61-V73 HydrophobicContact CG-CB 4.18Å; Q61-V73 HydrophobicContact CG-CG1 3.65Å; Q61-V73 HydrophobicContact CG-CG2 4.06Å; Q61-V73 VanDerWaalsContact NE2-CG1 3.32Å
62Q80.8Confident75.9Confident102 Ų10264.4 Ų64.448%0.47738%0.379SS..Hα-helixtrans-61.9-39.9178.6-17061.442.200111.4A58 V59 F60 L64 V65 D66A58-Q62 PolarHBondContact O-N 3.46Å; A58-Q62 VanDerWaalsContact O-N 3.12Å; V59-Q62 PolarHBondContact O-N 3.15Å; F60-Q62 VanDerWaalsContact C-N 3.35Å; Q62-L64 PolarHBondContact O-N 2.75Å; Q62-V65 PolarHBondContact O-N 3.34Å; Q62-D66 PolarHBondContact NE2-OD1 2.94Å; Q62-D66 WeakPolarHBondContact O-CB 3.09Å; Q62-D66 VanDerWaalsContact O-CG 3.25Å; Q62-D66 PolarHBondContact O-N 3.46Å
63Y80.8Confident75.1Confident0 Ų062.5 Ų62.50%036%0.359CS..Hα-helixtrans-59.2-43.3175176.4-121.3000113.1V29 E33 L39 Y40 L48 V59 F60 Q61 V65 D66 L67 L84V29-Y63 HydrophobicContact CG1-CD1 4.43Å; V29-Y63 HydrophobicContact CG1-CE1 4.16Å; E33-Y63 HydrophobicContact CG-CE2 4.17Å; E33-Y63 WeakPolarHBondContact OE2-CE2 3.38Å; E33-Y63 VanDerWaalsContact OE2-CZ 3.26Å; E33-Y63 PolarHBondContact OE2-OH 2.95Å; L39-Y63 HydrophobicContact CB-CE2 4.45Å; L39-Y63 HydrophobicContact CD2-CE2 4.5Å; Y40-Y63 AromaticContact CD2-CD2 3.88Å; Y40-Y63 HydrophobicContact CD2-CD2 3.88Å; Y40-Y63 HydrophobicContact CD2-CE2 4.21Å; Y40-Y63 AromaticContact CE2-CD2 3.27Å; Y40-Y63 HydrophobicContact CE2-CD2 3.27Å; Y40-Y63 HydrophobicContact CE2-CE2 4.05Å; Y40-Y63 HydrophobicContact CE2-CG 4.06Å; Y40-Y63 VanDerWaalsContact OH-CA 3.32Å; Y40-Y63 WeakPolarHBondContact OH-CA 3.31Å; L48-Y63 HydrophobicContact CD1-CD1 4.46Å; L48-Y63 HydrophobicContact CD1-CD2 3.97Å; L48-Y63 HydrophobicContact CD1-CE2 4.38Å; L48-Y63 HydrophobicContact CD1-CG 3.95Å; L48-Y63 HydrophobicContact CD2-CD1 4.45Å; L48-Y63 HydrophobicContact CD2-CG 4.43Å; V59-Y63 WeakPolarHBondContact O-CB 2.97Å; V59-Y63 PolarHBondContact O-N 3.44Å; F60-Y63 HydrophobicContact CD2-CD1 4.1Å; F60-Y63 HydrophobicContact CE2-CD1 4.18Å; F60-Y63 WeakPolarHBondContact O-CB 3.42Å; F60-Y63 PolarHBondContact O-N 3.46Å; Q61-Y63 VanDerWaalsContact C-N 3.29Å; Q61-Y63 PolarHBondContact O-N 3.36Å; Y63-V65 VanDerWaalsContact C-N 3.34Å; Y63-D66 PolarHBondContact O-N 3.4Å; Y63-L67 HydrophobicContact CD1-CD1 3.92Å; Y63-L67 HydrophobicContact CD2-CD1 4.05Å; Y63-L67 HydrophobicContact CD2-CG 4.17Å; Y63-L67 HydrophobicContact CE1-CD1 3.4Å; Y63-L67 HydrophobicContact CE1-CG 4.48Å; Y63-L67 HydrophobicContact CE2-CD1 3.6Å; Y63-L67 HydrophobicContact CE2-CD2 4.39Å; Y63-L67 HydrophobicContact CE2-CG 3.87Å; Y63-L67 HydrophobicContact CG-CD1 4.25Å; Y63-L67 WeakPolarHBondContact O-CB 3.29Å; Y63-L67 WeakPolarHBondContact O-CG 3.33Å; Y63-L67 PolarHBondContact O-N 2.75Å; Y63-L84 HydrophobicContact CE1-CD2 4.22Å
64L80.1Confident74Confident3 Ų365.9 Ų65.92%0.01638%0.383CS..Hα-helixtrans-67.3-36.4177.7-70.5175.7000112.4F60 Q61 Q62 K68 C69 V73 T80 L84F60-L64 HydrophobicContact CD1-CD1 4.02Å; F60-L64 HydrophobicContact CE1-CD1 3.48Å; F60-L64 VanDerWaalsContact CE1-CD1 3.48Å; F60-L64 HydrophobicContact CE1-CG 4.2Å; F60-L64 HydrophobicContact CE2-CD1 4.31Å; F60-L64 HydrophobicContact CE2-CD2 4.24Å; F60-L64 HydrophobicContact CE2-CG 4.15Å; F60-L64 HydrophobicContact CZ-CD1 3.65Å; F60-L64 HydrophobicContact CZ-CD2 4.07Å; F60-L64 HydrophobicContact CZ-CG 3.96Å; F60-L64 WeakPolarHBondContact O-CG 3.36Å; F60-L64 PolarHBondContact O-N 3.29Å; Q61-L64 PolarHBondContact O-N 2.79Å; Q62-L64 PolarHBondContact O-N 2.75Å; L64-K68 PolarHBondContact O-N 2.83Å; L64-C69 HydrophobicContact CB-CB 4.24Å; L64-C69 HydrophobicContact CD2-CB 4.09Å; L64-C69 WeakPolarHBondContact O-CB 3.44Å; L64-C69 PolarHBondContact O-N 3.31Å; L64-V73 HydrophobicContact CB-CG2 4.33Å; L64-V73 HydrophobicContact CD1-CB 4.33Å; L64-V73 HydrophobicContact CD1-CG1 4.06Å; L64-V73 HydrophobicContact CD1-CG2 3.88Å; L64-T80 HydrophobicContact CD1-CG2 3.8Å; L64-T80 HydrophobicContact CD2-CG2 3.86Å; L64-L84 HydrophobicContact CD2-CD1 4.36Å; L64-L84 HydrophobicContact CD2-CD2 4.23Å; L64-L84 HydrophobicContact CD2-CG 4.47Å
65V80.9Confident73.2Confident92 Ų9269.5 Ų69.556%0.55839%0.39SS*.Hα-helixtrans-64.1-47173.6172.90000110.5Q61 Q62 Y63 L67 K68Q61-V65 WeakPolarHBondContact O-CG2 3.49Å; Q61-V65 PolarHBondContact O-N 3.48Å; Q61-V65 VanDerWaalsContact O-N 3.07Å; Q62-V65 PolarHBondContact O-N 3.34Å; Y63-V65 VanDerWaalsContact C-N 3.34Å; V65-L67 VanDerWaalsContact C-N 3.3Å; V65-L67 PolarHBondContact O-N 2.94Å; V65-K68 WeakPolarHBondContact O-CA 3.44Å; V65-K68 PolarHBondContact O-N 2.94Å
66D79.8Confident72.9Confident67 Ų6769.4 Ų69.436%0.35839%0.389SS..Hα-helixtrans-65.4-34.6-179.7-69.7-5.5000111.8L39 Y40 Q62 Y63 K68L39-D66 HydrophobicContact CD2-CB 3.99Å; Y40-D66 WeakPolarHBondContact CE1-OD2 3.22Å; Y40-D66 PolarHBondContact OH-OD2 2.93Å; Q62-D66 PolarHBondContact NE2-OD1 2.94Å; Q62-D66 WeakPolarHBondContact O-CB 3.09Å; Q62-D66 VanDerWaalsContact O-CG 3.25Å; Q62-D66 PolarHBondContact O-N 3.46Å; Y63-D66 PolarHBondContact O-N 3.4Å; D66-K68 PolarHBondContact O-N 3.38Å
67L77.2Confident72.8Confident14 Ų1474.3 Ų74.37%0.07341%0.408CS..THydrogen-bonded Turntrans-72.6-7.7171.5-78.8175.8000114.2I37 L39 Y63 V65 C69 W83 L84I37-L67 HydrophobicContact CG2-CD2 3.64Å; L39-L67 HydrophobicContact CB-CD2 4.28Å; L39-L67 HydrophobicContact CD1-CD2 4.36Å; L39-L67 HydrophobicContact CD2-CD2 3.73Å; L39-L67 HydrophobicContact CD2-CG 3.92Å; L39-L67 HydrophobicContact CG-CD2 4.34Å; Y63-L67 HydrophobicContact CD1-CD1 3.92Å; Y63-L67 HydrophobicContact CD2-CD1 4.05Å; Y63-L67 HydrophobicContact CD2-CG 4.17Å; Y63-L67 HydrophobicContact CE1-CD1 3.4Å; Y63-L67 HydrophobicContact CE1-CG 4.48Å; Y63-L67 HydrophobicContact CE2-CD1 3.6Å; Y63-L67 HydrophobicContact CE2-CD2 4.39Å; Y63-L67 HydrophobicContact CE2-CG 3.87Å; Y63-L67 HydrophobicContact CG-CD1 4.25Å; Y63-L67 WeakPolarHBondContact O-CB 3.29Å; Y63-L67 WeakPolarHBondContact O-CG 3.33Å; Y63-L67 PolarHBondContact O-N 2.75Å; V65-L67 VanDerWaalsContact C-N 3.3Å; V65-L67 PolarHBondContact O-N 2.94Å; L67-C69 VanDerWaalsContact C-N 3.27Å; L67-C69 PolarHBondContact O-N 3.39Å; L67-W83 HydrophobicContact CB-CH2 4.33Å; L67-W83 HydrophobicContact CB-CZ3 4.35Å; L67-W83 HydrophobicContact CD1-CZ3 4.48Å; L67-L84 HydrophobicContact CD1-CD2 3.6Å
68K77.4Confident72.9Confident182 Ų18272.7 Ų72.779%0.79140%0.404SS*.THydrogen-bonded Turntrans54.542.7-173.1-54.9-178.2179.5-177.20112.1L64 V65 D66 P70L64-K68 PolarHBondContact O-N 2.83Å; V65-K68 WeakPolarHBondContact O-CA 3.44Å; V65-K68 PolarHBondContact O-N 2.94Å; D66-K68 PolarHBondContact O-N 3.38Å; K68-P70 WeakPolarHBondContact O-CD 3.35Å
69C71Confident72.9Confident18 Ų1871 Ų7112%0.12239%0.391CS..  trans-62.9124.9175.1-176.70000109.6L64 L67 Q71 W83L64-C69 HydrophobicContact CB-CB 4.24Å; L64-C69 HydrophobicContact CD2-CB 4.09Å; L64-C69 WeakPolarHBondContact O-CB 3.44Å; L64-C69 PolarHBondContact O-N 3.31Å; L67-C69 VanDerWaalsContact C-N 3.27Å; L67-C69 PolarHBondContact O-N 3.39Å; C69-Q71 PolarHBondContact O-N 3.01Å; C69-Q71 PolarHBondContact SG-O 2.82Å; C69-W83 HydrophobicContact CB-CD2 4.47Å; C69-W83 HydrophobicContact CB-CE3 3.98Å; C69-W83 HydrophobicContact CB-CH2 3.86Å; C69-W83 HydrophobicContact CB-CZ2 4.36Å; C69-W83 HydrophobicContact CB-CZ3 3.65Å
70P67.2Low73Confident103 Ų10369.6 Ų69.667%0.66938%0.382SS*.SBendtrans-71.8-19.1-178.527.4-32.7000112.8K68 W83K68-P70 WeakPolarHBondContact O-CD 3.35Å; P70-W83 VanDerWaalsContact CD-CE2 3.49Å
71Q59.5Low73.1Confident89 Ų8969 Ų6942%0.41638%0.379SS..SBendtrans-93.1111.1172.2-66.4-175.4-3.600108C69 A79C69-Q71 PolarHBondContact O-N 3.01Å; C69-Q71 PolarHBondContact SG-O 2.82Å; Q71-A79 VanDerWaalsContact OE1-CB 3.23Å
72G55.5Low73.2Confident55 Ų5566.3 Ų66.357%0.56737%0.368SS*.  trans-56.8163.9170.800000111.8S74G72-S74 PolarHBondContact O-N 3.17Å
73V54.5Low73.4Confident48 Ų4864 Ų6429%0.29136%0.355SS..SBendtrans-69.711.6-163.8-166.20000115.4F60 Q61 L64F60-V73 HydrophobicContact CD1-CG1 4.43Å; Q61-V73 HydrophobicContact CB-CG1 4.27Å; Q61-V73 HydrophobicContact CB-CG2 3.86Å; Q61-V73 HydrophobicContact CG-CB 4.18Å; Q61-V73 HydrophobicContact CG-CG1 3.65Å; Q61-V73 HydrophobicContact CG-CG2 4.06Å; Q61-V73 VanDerWaalsContact NE2-CG1 3.32Å; L64-V73 HydrophobicContact CB-CG2 4.33Å; L64-V73 HydrophobicContact CD1-CB 4.33Å; L64-V73 HydrophobicContact CD1-CG1 4.06Å; L64-V73 HydrophobicContact CD1-CG2 3.88Å
74S53.1Low73.6Confident100 Ų10064.1 Ų64.170%0.69936%0.355SS*.SBendtrans-150.2124.8-176.3-158.10000107G72G72-S74 PolarHBondContact O-N 3.17Å
75E60.4Low73.8Confident189 Ų18964 Ų6488%0.88336%0.355SS*.SBendcis-142.16.541.4-69.7166149.600113.2
76N72.9Confident74Confident109 Ų10961.7 Ų61.758%0.58334%0.343SS*.  trans-127.484.2-167.3-141.9-26.6000112.7A78 A79 T80N76-A78 PolarHBondContact O-N 3.45Å; N76-A78 VanDerWaalsContact O-N 3.1Å; N76-A79 HydrophobicContact CB-CB 4.16Å; N76-A79 WeakPolarHBondContact O-CB 3.48Å; N76-A79 PolarHBondContact O-N 3.35Å; N76-T80 PolarHBondContact O-N 3.07Å; N76-T80 PolarHBondContact O-OG1 2.77Å
77R78.5Confident74.1Confident103 Ų10360.9 Ų60.939%0.38934%0.337SS..Hα-helixtrans-50.2-37.3-178.4-70.3177.7174.9-179-10.6113.4V19 D22 F25 A79 T80 I81V19-R77 HydrophobicContact CG1-CB 4.03Å; D22-R77 IonicContact OD1-CZ 2.79Å; D22-R77 IonicContact OD1-NH1 2.79Å; D22-R77 PolarHBondContact OD1-NH1 3.27Å; D22-R77 IonicContact OD1-NH2 2.63Å; D22-R77 PolarHBondContact OD1-NH2 3.17Å; F25-R77 HydrophobicContact CD2-CB 4.39Å; F25-R77 HydrophobicContact CE2-CB 3.96Å; F25-R77 HydrophobicContact CE2-CG 4.3Å; R77-A79 PolarHBondContact O-N 3.44Å; R77-T80 PolarHBondContact O-N 3.16Å; R77-I81 PolarHBondContact O-N 2.62Å
78A80.3Confident74.4Confident38 Ų3860.2 Ų60.231%0.31433%0.334SS..Hα-helixtrans-61.6-40.9176.600000112.6F2 V19 N76 D82F2-A78 HydrophobicContact CZ-CB 4.1Å; V19-A78 HydrophobicContact CG1-CB 4.32Å; N76-A78 PolarHBondContact O-N 3.45Å; N76-A78 VanDerWaalsContact O-N 3.1Å; A78-D82 WeakPolarHBondContact O-CB 3.41Å; A78-D82 PolarHBondContact O-N 3.32Å
79A80.5Confident74.7Confident30 Ų3052.9 Ų52.925%0.24830%0.304CS..Hα-helixtrans-72.2-40179.200000111.4Q71 N76 R77 I81 D82 W83Q71-A79 VanDerWaalsContact OE1-CB 3.23Å; N76-A79 HydrophobicContact CB-CB 4.16Å; N76-A79 WeakPolarHBondContact O-CB 3.48Å; N76-A79 PolarHBondContact O-N 3.35Å; R77-A79 PolarHBondContact O-N 3.44Å; A79-I81 PolarHBondContact O-N 2.96Å; A79-D82 PolarHBondContact O-N 3.15Å; A79-W83 WeakPolarHBondContact O-CB 3.46Å; A79-W83 PolarHBondContact O-N 2.91Å
80T81.5Confident75.3Confident10 Ų1057.4 Ų57.46%0.06132%0.323CS..Hα-helixtrans-60.9-45.7174.6-470000111.5F60 L64 N76 R77 W83 L84F60-T80 HydrophobicContact CE1-CG2 4.45Å; F60-T80 HydrophobicContact CZ-CG2 4.04Å; L64-T80 HydrophobicContact CD1-CG2 3.8Å; L64-T80 HydrophobicContact CD2-CG2 3.86Å; N76-T80 PolarHBondContact O-N 3.07Å; N76-T80 PolarHBondContact O-OG1 2.77Å; R77-T80 PolarHBondContact O-N 3.16Å; T80-W83 PolarHBondContact O-N 3.22Å; T80-L84 HydrophobicContact CG2-CD1 4.4Å; T80-L84 WeakPolarHBondContact O-CG 3.44Å; T80-L84 PolarHBondContact O-N 3.4Å
81I82.2Confident75.9Confident0 Ų053.7 Ų53.70%030%0.297CS..Hα-helixtrans-64-42.5174.1-86175.4000111.3F2 V19 F25 L28 R77 A79 W83 L84 L85F2-I81 HydrophobicContact CD1-CG2 4.04Å; F2-I81 HydrophobicContact CE1-CG2 3.88Å; F2-I81 HydrophobicContact CZ-CG2 4.35Å; V19-I81 HydrophobicContact CB-CD1 4.27Å; V19-I81 HydrophobicContact CG1-CD1 3.66Å; V19-I81 HydrophobicContact CG2-CD1 3.86Å; V19-I81 HydrophobicContact CG2-CG2 4.36Å; F25-I81 HydrophobicContact CD2-CD1 3.13Å; F25-I81 HydrophobicContact CD2-CG1 3.96Å; F25-I81 HydrophobicContact CE2-CD1 3.25Å; F25-I81 HydrophobicContact CE2-CG1 3.52Å; F25-I81 HydrophobicContact CG-CD1 4.15Å; F25-I81 HydrophobicContact CZ-CD1 4.36Å; F25-I81 HydrophobicContact CZ-CG1 4.35Å; L28-I81 HydrophobicContact CD2-CD1 3.85Å; L28-I81 HydrophobicContact CD2-CG1 4.26Å; L28-I81 HydrophobicContact CD2-CG2 3.94Å; R77-I81 PolarHBondContact O-N 2.62Å; A79-I81 PolarHBondContact O-N 2.96Å; I81-W83 PolarHBondContact O-N 2.94Å; I81-L84 PolarHBondContact O-N 3.29Å; I81-L85 HydrophobicContact CG2-CD1 3.56Å; I81-L85 HydrophobicContact CG2-CG 4.07Å; I81-L85 WeakPolarHBondContact O-CB 3.41Å; I81-L85 WeakPolarHBondContact O-CG 3.44Å; I81-L85 PolarHBondContact O-N 3.31Å
82D83Confident76.6Confident40 Ų4050.6 Ų50.621%0.21428%0.283CS..Hα-helixtrans-59.3-41.3178.6-162.958.6000111.4F2 K5 A78 A79 S86F2-D82 HydrophobicContact CE1-CB 3.87Å; K5-D82 IonicContact NZ-OD1 2.96Å; K5-D82 PolarHBondContact NZ-OD1 2.9Å; K5-D82 IonicContact NZ-OD2 2.72Å; K5-D82 PolarHBondContact NZ-OD2 3.44Å; A78-D82 WeakPolarHBondContact O-CB 3.41Å; A78-D82 PolarHBondContact O-N 3.32Å; A79-D82 PolarHBondContact O-N 3.15Å; D82-S86 WeakPolarHBondContact O-CB 3.48Å; D82-S86 PolarHBondContact O-N 2.94Å; D82-S86 PolarHBondContact O-OG 3.2Å
83W85.5Confident77.6Confident55 Ų5555.2 Ų55.221%0.20829%0.285CS..Hα-helixtrans-64.8-48.6175.8-17487.4000111.6L67 C69 P70 A79 T80 I81 L85 S86 H87L67-W83 HydrophobicContact CB-CH2 4.33Å; L67-W83 HydrophobicContact CB-CZ3 4.35Å; L67-W83 HydrophobicContact CD1-CZ3 4.48Å; C69-W83 HydrophobicContact CB-CD2 4.47Å; C69-W83 HydrophobicContact CB-CE3 3.98Å; C69-W83 HydrophobicContact CB-CH2 3.86Å; C69-W83 HydrophobicContact CB-CZ2 4.36Å; C69-W83 HydrophobicContact CB-CZ3 3.65Å; P70-W83 VanDerWaalsContact CD-CE2 3.49Å; A79-W83 WeakPolarHBondContact O-CB 3.46Å; A79-W83 PolarHBondContact O-N 2.91Å; T80-W83 PolarHBondContact O-N 3.22Å; I81-W83 PolarHBondContact O-N 2.94Å; W83-L85 VanDerWaalsContact C-N 3.34Å; W83-L85 PolarHBondContact O-N 2.74Å; W83-S86 CarbonylContact O-C 3.42Å; W83-S86 WeakPolarHBondContact O-CB 3.27Å; W83-S86 PolarHBondContact O-N 3.22Å; W83-S86 VanDerWaalsContact O-N 3.09Å; W83-H87 HydrophobicContact CE3-CB 4.47Å; W83-H87 HydrophobicContact CH2-CB 4.42Å; W83-H87 AromaticContact CH2-ND1 3.92Å; W83-H87 AromaticContact CZ2-ND1 3.93Å; W83-H87 HydrophobicContact CZ3-CB 4.35Å; W83-H87 WeakPolarHBondContact O-CB 3.43Å; W83-H87 PolarHBondContact O-N 3.29Å
84L84.2Confident78.6Confident1 Ų159.4 Ų59.41%0.00530%0.295CS..Hα-helixtrans-58.9-43.9177.6-75.5170.1000112.1V29 L32 I37 F60 Y63 L64 L67 T80 I81 S86 H87 A88V29-L84 HydrophobicContact CG2-CD1 4.22Å; L32-L84 HydrophobicContact CD1-CB 4.17Å; I37-L84 HydrophobicContact CD1-CD2 4.15Å; F60-L84 HydrophobicContact CE2-CD1 4.23Å; F60-L84 HydrophobicContact CZ-CD1 4.29Å; Y63-L84 HydrophobicContact CE1-CD2 4.22Å; L64-L84 HydrophobicContact CD2-CD1 4.36Å; L64-L84 HydrophobicContact CD2-CD2 4.23Å; L64-L84 HydrophobicContact CD2-CG 4.47Å; L67-L84 HydrophobicContact CD1-CD2 3.6Å; T80-L84 HydrophobicContact CG2-CD1 4.4Å; T80-L84 WeakPolarHBondContact O-CG 3.44Å; T80-L84 PolarHBondContact O-N 3.4Å; I81-L84 PolarHBondContact O-N 3.29Å; L84-S86 VanDerWaalsContact C-N 3.33Å; L84-S86 PolarHBondContact O-N 3.39Å; L84-H87 PolarHBondContact O-N 2.86Å; L84-A88 WeakPolarHBondContact O-CB 3.34Å; L84-A88 PolarHBondContact O-N 2.86Å
85L84.4Confident79.4Confident0 Ų058.5 Ų58.50%028%0.283CS..Hα-helixtrans-62.3-42.2175.4-70.3170.3000111.1F2 K5 L6 L9 L32 I81 W83 A88 V89F2-L85 HydrophobicContact CB-CD1 4.09Å; F2-L85 HydrophobicContact CD1-CD1 3.61Å; F2-L85 HydrophobicContact CE1-CD1 4.46Å; F2-L85 HydrophobicContact CG-CD1 4.18Å; K5-L85 HydrophobicContact CB-CB 4.16Å; K5-L85 HydrophobicContact CB-CD1 4.43Å; K5-L85 HydrophobicContact CD-CB 4.03Å; L6-L85 HydrophobicContact CD2-CD1 4.44Å; L6-L85 HydrophobicContact CD2-CD2 3.65Å; L6-L85 HydrophobicContact CG-CD1 4.5Å; L6-L85 HydrophobicContact CG-CD2 4.35Å; L9-L85 HydrophobicContact CD1-CB 4.39Å; L9-L85 HydrophobicContact CD1-CD2 3.39Å; L9-L85 HydrophobicContact CD1-CG 4.5Å; L32-L85 HydrophobicContact CD1-CD2 4.03Å; L32-L85 HydrophobicContact CD1-CG 4.46Å; L32-L85 HydrophobicContact CD2-CD2 4.01Å; I81-L85 HydrophobicContact CG2-CD1 3.56Å; I81-L85 HydrophobicContact CG2-CG 4.07Å; I81-L85 WeakPolarHBondContact O-CB 3.41Å; I81-L85 WeakPolarHBondContact O-CG 3.44Å; I81-L85 PolarHBondContact O-N 3.31Å; W83-L85 VanDerWaalsContact C-N 3.34Å; W83-L85 PolarHBondContact O-N 2.74Å; L85-A88 PolarHBondContact O-N 2.98Å; L85-V89 VanDerWaalsContact O-CG2 3.27Å; L85-V89 WeakPolarHBondContact O-CG2 3.25Å; L85-V89 PolarHBondContact O-N 3.46Å
86S84.3Confident79.8Confident44 Ų4450.6 Ų50.631%0.30825%0.246SC..Hα-helixtrans-66.2-39.6177.5-540000111.8K5 D82 W83 L84 V89 H90K5-S86 PolarHBondContact NZ-OG 3.01Å; D82-S86 WeakPolarHBondContact O-CB 3.48Å; D82-S86 PolarHBondContact O-N 2.94Å; D82-S86 PolarHBondContact O-OG 3.2Å; W83-S86 CarbonylContact O-C 3.42Å; W83-S86 WeakPolarHBondContact O-CB 3.27Å; W83-S86 PolarHBondContact O-N 3.22Å; W83-S86 VanDerWaalsContact O-N 3.09Å; L84-S86 VanDerWaalsContact C-N 3.33Å; L84-S86 PolarHBondContact O-N 3.39Å; S86-V89 PolarHBondContact O-N 3.47Å; S86-H90 WeakPolarHBondContact O-CB 3.36Å; S86-H90 PolarHBondContact O-N 3.26Å
87H83.7Confident79.5Confident51 Ų5154.4 Ų54.424%0.23626%0.257CS..Hα-helixtrans-65.3-44.9176.7-16683000111.1W83 L84 V89 H90 L91W83-H87 HydrophobicContact CE3-CB 4.47Å; W83-H87 HydrophobicContact CH2-CB 4.42Å; W83-H87 AromaticContact CH2-ND1 3.92Å; W83-H87 AromaticContact CZ2-ND1 3.93Å; W83-H87 HydrophobicContact CZ3-CB 4.35Å; W83-H87 WeakPolarHBondContact O-CB 3.43Å; W83-H87 PolarHBondContact O-N 3.29Å; L84-H87 PolarHBondContact O-N 2.86Å; H87-V89 VanDerWaalsContact C-N 3.35Å; H87-V89 PolarHBondContact O-N 3.4Å; H87-H90 WeakPolarHBondContact O-CB 3.43Å; H87-H90 PolarHBondContact O-N 2.94Å; H87-H90 VanDerWaalsContact O-N 3.14Å; H87-L91 WeakPolarHBondContact O-CG 3.31Å; H87-L91 PolarHBondContact O-N 3.41Å
88A83.7Confident79Confident0 Ų056.6 Ų56.60%027%0.269CS..Hα-helixtrans-59.7-4417400000111.8L9 L32 K36 I37 L84 L85 H90 L91 I92L9-A88 HydrophobicContact CD1-CB 4.21Å; L9-A88 HydrophobicContact CD2-CB 3.9Å; L32-A88 HydrophobicContact CD2-CB 4.01Å; K36-A88 HydrophobicContact CB-CB 4Å; I37-A88 HydrophobicContact CD1-CB 4.4Å; I37-A88 HydrophobicContact CG1-CB 4.06Å; L84-A88 WeakPolarHBondContact O-CB 3.34Å; L84-A88 PolarHBondContact O-N 2.86Å; L85-A88 PolarHBondContact O-N 2.98Å; A88-H90 VanDerWaalsContact C-N 3.33Å; A88-H90 PolarHBondContact O-N 3.15Å; A88-L91 PolarHBondContact O-N 2.99Å; A88-I92 VanDerWaalsContact O-CG1 3.29Å; A88-I92 WeakPolarHBondContact O-CG1 3.31Å; A88-I92 PolarHBondContact O-N 3.04Å; A88-I92 VanDerWaalsContact O-N 3.11Å
89V82.1Confident78.4Confident27 Ų2758.5 Ų58.516%0.16427%0.274CS..Hα-helixtrans-61.4-43.7174.1170.70000110.6V8 L9 L85 S86 H87 L91 I92 Y93V8-V89 HydrophobicContact CG1-CG2 4.22Å; L9-V89 HydrophobicContact CD1-CG2 4.36Å; L9-V89 HydrophobicContact CD2-CG2 3.76Å; L9-V89 HydrophobicContact CG-CG2 3.96Å; L85-V89 VanDerWaalsContact O-CG2 3.27Å; L85-V89 WeakPolarHBondContact O-CG2 3.25Å; L85-V89 PolarHBondContact O-N 3.46Å; S86-V89 PolarHBondContact O-N 3.47Å; H87-V89 VanDerWaalsContact C-N 3.35Å; H87-V89 PolarHBondContact O-N 3.4Å; V89-L91 VanDerWaalsContact C-N 3.33Å; V89-L91 PolarHBondContact O-N 2.92Å; V89-I92 PolarHBondContact O-N 2.9Å; V89-Y93 HydrophobicContact CG1-CD2 3.65Å; V89-Y93 HydrophobicContact CG1-CE2 3.76Å; V89-Y93 WeakPolarHBondContact O-CD2 3.24Å; V89-Y93 PolarHBondContact O-N 3.36Å
90H83.6Confident77.8Confident114 Ų11461.6 Ų61.653%0.52829%0.292SS..Hα-helixtrans-60.3-41.4177.8-177.176.4000112.4S86 H87 A88 Y93 R94S86-H90 WeakPolarHBondContact O-CB 3.36Å; S86-H90 PolarHBondContact O-N 3.26Å; H87-H90 WeakPolarHBondContact O-CB 3.43Å; H87-H90 PolarHBondContact O-N 2.94Å; H87-H90 VanDerWaalsContact O-N 3.14Å; A88-H90 VanDerWaalsContact C-N 3.33Å; A88-H90 PolarHBondContact O-N 3.15Å; H90-Y93 PolarHBondContact O-N 3.3Å; H90-R94 WeakPolarHBondContact O-CB 3.44Å; H90-R94 PolarHBondContact O-N 3.49Å
91L80Confident77.2Confident25 Ų2564.4 Ų64.413%0.13132%0.316CS..Hα-helixtrans-61.5-45.7175.9-71.9173.1000111.6I37 H87 A88 V89 Y93 R94 D95I37-L91 HydrophobicContact CB-CD1 4.32Å; I37-L91 HydrophobicContact CG1-CD1 4.23Å; I37-L91 HydrophobicContact CG2-CD1 4.21Å; H87-L91 WeakPolarHBondContact O-CG 3.31Å; H87-L91 PolarHBondContact O-N 3.41Å; A88-L91 PolarHBondContact O-N 2.99Å; V89-L91 VanDerWaalsContact C-N 3.33Å; V89-L91 PolarHBondContact O-N 2.92Å; L91-Y93 VanDerWaalsContact C-N 3.33Å; L91-Y93 PolarHBondContact O-N 3.38Å; L91-R94 WeakPolarHBondContact O-CB 3.38Å; L91-R94 PolarHBondContact O-N 3.3Å; L91-R94 VanDerWaalsContact O-N 3.11Å; L91-D95 PolarHBondContact O-N 2.67Å
92I75.4Confident76.5Confident24 Ų2469.2 Ų69.212%0.12334%0.337CS..Hα-helixtrans-60.7-43.8176.5-64.6166.6000110.6L9 K36 A88 V89 R94 D95 F96L9-I92 HydrophobicContact CD2-CD1 3.26Å; K36-I92 HydrophobicContact CD-CD1 3.96Å; A88-I92 VanDerWaalsContact O-CG1 3.29Å; A88-I92 WeakPolarHBondContact O-CG1 3.31Å; A88-I92 PolarHBondContact O-N 3.04Å; A88-I92 VanDerWaalsContact O-N 3.11Å; V89-I92 PolarHBondContact O-N 2.9Å; I92-R94 VanDerWaalsContact C-N 3.34Å; I92-R94 PolarHBondContact O-N 2.82Å; I92-D95 PolarHBondContact O-N 3.22Å; I92-F96 HydrophobicContact CB-CE2 4.32Å; I92-F96 HydrophobicContact CG2-CD2 3.79Å; I92-F96 HydrophobicContact CG2-CE1 4.11Å; I92-F96 HydrophobicContact CG2-CE2 3.03Å; I92-F96 HydrophobicContact CG2-CZ 3.19Å; I92-F96 WeakPolarHBondContact O-CD2 3.43Å; I92-F96 WeakPolarHBondContact O-CG 3.33Å; I92-F96 PolarHBondContact O-N 3.45Å
93Y75.6Confident75.6Confident151 Ų15171.4 Ų71.459%0.59235%0.347SS*.Hα-helixtrans-62.8-37.6174.1-92.6-82.1000113.4V89 H90 L91 D95 F96 K97V89-Y93 HydrophobicContact CG1-CD2 3.65Å; V89-Y93 HydrophobicContact CG1-CE2 3.76Å; V89-Y93 WeakPolarHBondContact O-CD2 3.24Å; V89-Y93 PolarHBondContact O-N 3.36Å; H90-Y93 PolarHBondContact O-N 3.3Å; L91-Y93 VanDerWaalsContact C-N 3.33Å; L91-Y93 PolarHBondContact O-N 3.38Å; Y93-D95 VanDerWaalsContact C-N 3.33Å; Y93-F96 WeakPolarHBondContact O-CB 3.49Å; Y93-F96 PolarHBondContact O-N 3.02Å; Y93-K97 PolarHBondContact O-N 2.86Å
94R76.1Confident74.7Confident136 Ų13673.9 Ų73.951%0.51336%0.364SS..Hα-helixtrans-65.8-39.3176.9-167.4-17771.6160.9-1111.3H90 L91 I92 K97H90-R94 WeakPolarHBondContact O-CB 3.44Å; H90-R94 PolarHBondContact O-N 3.49Å; L91-R94 WeakPolarHBondContact O-CB 3.38Å; L91-R94 PolarHBondContact O-N 3.3Å; L91-R94 VanDerWaalsContact O-N 3.11Å; I92-R94 VanDerWaalsContact C-N 3.34Å; I92-R94 PolarHBondContact O-N 2.82Å; R94-K97 PolarHBondContact O-N 3.48Å
95D70.4Confident73.9Confident82 Ų8279.8 Ų79.844%0.43939%0.392SS..Hα-helixtrans-69.6-35.6175.5-70.5-16.2000111.4L91 I92 Y93 K97 K98 D99L91-D95 PolarHBondContact O-N 2.67Å; I92-D95 PolarHBondContact O-N 3.22Å; Y93-D95 VanDerWaalsContact C-N 3.33Å; D95-K97 VanDerWaalsContact C-N 3.34Å; D95-K97 PolarHBondContact O-N 3.2Å; D95-K98 WeakPolarHBondContact O-CB 3.41Å; D95-K98 PolarHBondContact O-N 2.96Å; D95-D99 PolarHBondContact O-N 3.1Å
96F68.2Low73Confident23 Ų2381.5 Ų81.510%0.10140%0.401CS..Hα-helixtrans-65-32.6172.5-67.5-36.9000114.3I92 Y93 K98 D99 K102 I103 L106I92-F96 HydrophobicContact CB-CE2 4.32Å; I92-F96 HydrophobicContact CG2-CD2 3.79Å; I92-F96 HydrophobicContact CG2-CE1 4.11Å; I92-F96 HydrophobicContact CG2-CE2 3.03Å; I92-F96 HydrophobicContact CG2-CZ 3.19Å; I92-F96 WeakPolarHBondContact O-CD2 3.43Å; I92-F96 WeakPolarHBondContact O-CG 3.33Å; I92-F96 PolarHBondContact O-N 3.45Å; Y93-F96 WeakPolarHBondContact O-CB 3.49Å; Y93-F96 PolarHBondContact O-N 3.02Å; F96-K98 PolarHBondContact O-N 3.01Å; F96-D99 CarbonylContact O-C 3.56Å; F96-D99 PolarHBondContact O-N 3.03Å; F96-K102 HydrophobicContact CD1-CB 3.74Å; F96-K102 HydrophobicContact CE1-CB 3.84Å; F96-I103 HydrophobicContact CB-CD1 3.99Å; F96-I103 HydrophobicContact CB-CG1 3.65Å; F96-I103 HydrophobicContact CD1-CG1 4.12Å; F96-I103 HydrophobicContact CD2-CG1 4.26Å; F96-I103 HydrophobicContact CG-CG1 3.79Å; F96-L106 HydrophobicContact CE1-CB 4.5Å; F96-L106 HydrophobicContact CE2-CD2 4.05Å; F96-L106 HydrophobicContact CZ-CB 4.06Å; F96-L106 HydrophobicContact CZ-CD1 3.91Å; F96-L106 HydrophobicContact CZ-CD2 3.76Å; F96-L106 HydrophobicContact CZ-CG 4.09Å
97K66.3Low72.1Confident188 Ų18882 Ų8282%0.81741%0.407SS*.Hα-helixtrans-63.1-23.5175.8-167.6176.1179-178.80112.1Y93 R94 D95Y93-K97 PolarHBondContact O-N 2.86Å; R94-K97 PolarHBondContact O-N 3.48Å; D95-K97 VanDerWaalsContact C-N 3.34Å; D95-K97 PolarHBondContact O-N 3.2Å
98K68.1Low71.4Confident150 Ų15086 Ų8665%0.65242%0.424SS*.Hα-helixtrans-83.9-30.9175.9-61.9178-179.2174.70112.8D95 F96D95-K98 WeakPolarHBondContact O-CB 3.41Å; D95-K98 PolarHBondContact O-N 2.96Å; F96-K98 PolarHBondContact O-N 3.01Å
99D67.9Low70.6Confident77 Ų7789.9 Ų89.941%0.41245%0.445SS..  trans-134.791.9-179.4-91.4-31.3000111.4D95 F96 A101 K102D95-D99 PolarHBondContact O-N 3.1Å; F96-D99 CarbonylContact O-C 3.56Å; F96-D99 PolarHBondContact O-N 3.03Å; D99-A101 PolarHBondContact O-N 2.83Å; D99-A101 VanDerWaalsContact O-N 3.16Å; D99-K102 HydrophobicContact CB-CD 3.98Å; D99-K102 HydrophobicContact CB-CG 4.3Å; D99-K102 PolarHBondContact O-N 3.39Å; D99-K102 IonicContact OD2-NZ 3.84Å; D99-K102 PolarHBondContact OD2-NZ 2.89Å
100P67.6Low69.6Low96 Ų9691 Ų9162%0.62345%0.449SS*.Hα-helixtrans-64.7-21.5-178.125.1-33.7000113.5K102 I103P100-K102 VanDerWaalsContact C-N 3.26Å; P100-K102 PolarHBondContact O-N 3.01Å; P100-I103 WeakPolarHBondContact O-CB 3.27Å; P100-I103 PolarHBondContact O-N 2.85Å
101A69.9Low68.5Low69 Ų6990.6 Ų90.657%0.5745%0.451SS*.Hα-helixtrans-62.6-31.2177.600000113.1D99 I103 L104 Q105D99-A101 PolarHBondContact O-N 2.83Å; D99-A101 VanDerWaalsContact O-N 3.16Å; A101-I103 VanDerWaalsContact C-N 3.31Å; A101-I103 PolarHBondContact O-N 3.33Å; A101-L104 PolarHBondContact O-N 2.89Å; A101-Q105 PolarHBondContact O-N 3.42Å
102K66.4Low67.5Low101 Ų10192.8 Ų92.844%0.43947%0.468SS..Hα-helixtrans-70.1-26.3178.9-73.5173.2178.6143.80112.6F96 D99 P100 L104 Q105 L106F96-K102 HydrophobicContact CD1-CB 3.74Å; F96-K102 HydrophobicContact CE1-CB 3.84Å; D99-K102 HydrophobicContact CB-CD 3.98Å; D99-K102 HydrophobicContact CB-CG 4.3Å; D99-K102 PolarHBondContact O-N 3.39Å; D99-K102 IonicContact OD2-NZ 3.84Å; D99-K102 PolarHBondContact OD2-NZ 2.89Å; P100-K102 VanDerWaalsContact C-N 3.26Å; P100-K102 PolarHBondContact O-N 3.01Å; K102-L104 VanDerWaalsContact C-N 3.31Å; K102-L104 PolarHBondContact O-N 3.35Å; K102-Q105 PolarHBondContact O-N 3.04Å; K102-L106 WeakPolarHBondContact O-CB 3.4Å; K102-L106 PolarHBondContact O-N 2.99Å
103I64.4Low66.2Low85 Ų8594.1 Ų94.144%0.43648%0.479SS..Hα-helixtrans-63.1-42174.5-61.5175000110.2F96 P100 A101 Q105 L106 A107F96-I103 HydrophobicContact CB-CD1 3.99Å; F96-I103 HydrophobicContact CB-CG1 3.65Å; F96-I103 HydrophobicContact CD1-CG1 4.12Å; F96-I103 HydrophobicContact CD2-CG1 4.26Å; F96-I103 HydrophobicContact CG-CG1 3.79Å; P100-I103 WeakPolarHBondContact O-CB 3.27Å; P100-I103 PolarHBondContact O-N 2.85Å; A101-I103 VanDerWaalsContact C-N 3.31Å; A101-I103 PolarHBondContact O-N 3.33Å; I103-Q105 VanDerWaalsContact C-N 3.33Å; I103-L106 PolarHBondContact O-N 3.09Å; I103-A107 VanDerWaalsContact O-CB 3.24Å; I103-A107 WeakPolarHBondContact O-CB 3.38Å; I103-A107 PolarHBondContact O-N 3.35Å
104L65.5Low65Low107 Ų10790.4 Ų90.456%0.5647%0.472SS*.Hα-helixtrans-70.8-33.2-177.3-143.5147.9000111.2A101 K102 K108A101-L104 PolarHBondContact O-N 2.89Å; K102-L104 VanDerWaalsContact C-N 3.31Å; K102-L104 PolarHBondContact O-N 3.35Å; L104-K108 HydrophobicContact CD2-CD 4.18Å; L104-K108 WeakPolarHBondContact O-CB 3.48Å; L104-K108 VanDerWaalsContact O-CG 3.24Å; L104-K108 WeakPolarHBondContact O-CG 3.24Å; L104-K108 PolarHBondContact O-N 3.03Å; L104-K108 VanDerWaalsContact O-N 3.16Å
105Q69Low63.7Low125 Ų12591.5 Ų91.558%0.58448%0.476SS*.Hα-helixtrans-69.8-48.5170.7-72.9-177.5-15.600111.9A101 K102 I103 A107 K108 D109A101-Q105 PolarHBondContact O-N 3.42Å; K102-Q105 PolarHBondContact O-N 3.04Å; I103-Q105 VanDerWaalsContact C-N 3.33Å; Q105-A107 VanDerWaalsContact C-N 3.3Å; Q105-A107 PolarHBondContact O-N 3.46Å; Q105-K108 WeakPolarHBondContact O-CA 3.38Å; Q105-K108 WeakPolarHBondContact O-CB 3.41Å; Q105-K108 PolarHBondContact O-N 3.38Å; Q105-D109 PolarHBondContact O-N 2.84Å
106L64.5Low62.5Low37 Ų3790.1 Ų90.119%0.19448%0.476CS..Hα-helixtrans-63.7-35.8179.6-156100.8000112.3F96 K102 I103 D109 M110F96-L106 HydrophobicContact CE1-CB 4.5Å; F96-L106 HydrophobicContact CE2-CD2 4.05Å; F96-L106 HydrophobicContact CZ-CB 4.06Å; F96-L106 HydrophobicContact CZ-CD1 3.91Å; F96-L106 HydrophobicContact CZ-CD2 3.76Å; F96-L106 HydrophobicContact CZ-CG 4.09Å; K102-L106 WeakPolarHBondContact O-CB 3.4Å; K102-L106 PolarHBondContact O-N 2.99Å; I103-L106 PolarHBondContact O-N 3.09Å; L106-D109 PolarHBondContact O-N 2.81Å; L106-M110 HydrophobicContact CD2-SD 4.49Å; L106-M110 WeakPolarHBondContact O-CB 3.47Å; L106-M110 PolarHBondContact O-N 3.38Å
107A66.1Low61.3Low53 Ų5393.6 Ų93.644%0.43850%0.496SS..Hα-helixtrans-66.3-37.7173.500000112.1I103 Q105 N111I103-A107 VanDerWaalsContact O-CB 3.24Å; I103-A107 WeakPolarHBondContact O-CB 3.38Å; I103-A107 PolarHBondContact O-N 3.35Å; Q105-A107 VanDerWaalsContact C-N 3.3Å; Q105-A107 PolarHBondContact O-N 3.46Å; A107-N111 WeakPolarHBondContact O-CB 3.42Å; A107-N111 PolarHBondContact O-N 3.32Å
108K68Low60.4Low135 Ų13588.5 Ų88.559%0.58749%0.489SS*.Hα-helixtrans-64.8-42.5172.7-79171.6174.7178.20111.5L104 Q105 N111 S112L104-K108 HydrophobicContact CD2-CD 4.18Å; L104-K108 WeakPolarHBondContact O-CB 3.48Å; L104-K108 VanDerWaalsContact O-CG 3.24Å; L104-K108 WeakPolarHBondContact O-CG 3.24Å; L104-K108 PolarHBondContact O-N 3.03Å; L104-K108 VanDerWaalsContact O-N 3.16Å; Q105-K108 WeakPolarHBondContact O-CA 3.38Å; Q105-K108 WeakPolarHBondContact O-CB 3.41Å; Q105-K108 PolarHBondContact O-N 3.38Å; K108-N111 PolarHBondContact O-N 3.05Å; K108-S112 PolarHBondContact O-N 3.16Å
109D66.8Low59.4Low82 Ų8284 Ų8444%0.43947%0.47SS..Hα-helixtrans-72.9-35.1-180-65.4-19.5000112.7Q105 L106 S112 C113Q105-D109 PolarHBondContact O-N 2.84Å; L106-D109 PolarHBondContact O-N 2.81Å; D109-S112 WeakPolarHBondContact CA-OG 3.46Å; D109-S112 PolarHBondContact O-N 3.37Å; D109-S112 PolarHBondContact O-OG 2.87Å; D109-C113 WeakPolarHBondContact O-CB 3.45Å; D109-C113 PolarHBondContact O-N 3.28Å
110M62.2Low58.5Low51 Ų5184.6 Ų84.625%0.25148%0.48SS..Hα-helixtrans-66.3-39.9170.8-82.6-168.279.500111.2T7 V8 L106 S112 C113 V114T7-M110 HydrophobicContact CG2-CE 4.08Å; V8-M110 HydrophobicContact CG2-CE 3.89Å; V8-M110 HydrophobicContact CG2-SD 4.26Å; L106-M110 HydrophobicContact CD2-SD 4.49Å; L106-M110 WeakPolarHBondContact O-CB 3.47Å; L106-M110 PolarHBondContact O-N 3.38Å; M110-S112 VanDerWaalsContact C-N 3.31Å; M110-S112 PolarHBondContact O-N 3.39Å; M110-C113 PolarHBondContact O-N 2.91Å; M110-V114 WeakPolarHBondContact O-CB 3.49Å; M110-V114 VanDerWaalsContact O-CG2 3.27Å; M110-V114 WeakPolarHBondContact O-CG2 3.35Å; M110-V114 PolarHBondContact O-N 3.41Å
111N60.4Low57.7Low106 Ų10684.7 Ų84.757%0.56749%0.489SS*.Hα-helixtrans-66.8-31.2175.4-94.43.8000112.8A107 K108 R115A107-N111 WeakPolarHBondContact O-CB 3.42Å; A107-N111 PolarHBondContact O-N 3.32Å; K108-N111 PolarHBondContact O-N 3.05Å; N111-R115 VanDerWaalsContact O-CB 3.25Å; N111-R115 WeakPolarHBondContact O-CB 3.27Å; N111-R115 VanDerWaalsContact O-CG 3.31Å; N111-R115 WeakPolarHBondContact O-CG 3.44Å; N111-R115 PolarHBondContact O-N 3.45Å; N111-R115 VanDerWaalsContact O-N 3.09Å
112S58.1Low57Low70 Ų7088.8 Ų88.849%0.4950%0.501SS..Hα-helixtrans-72.6-40.617567.80000112.1K108 D109 M110 A116K108-S112 PolarHBondContact O-N 3.16Å; D109-S112 WeakPolarHBondContact CA-OG 3.46Å; D109-S112 PolarHBondContact O-N 3.37Å; D109-S112 PolarHBondContact O-OG 2.87Å; M110-S112 VanDerWaalsContact C-N 3.31Å; M110-S112 PolarHBondContact O-N 3.39Å; S112-A116 WeakPolarHBondContact O-CB 3.5Å; S112-A116 PolarHBondContact O-N 2.89Å
113C49.6Very low56.5Low52 Ų5288.1 Ų88.135%0.35150%0.503SS..Hα-helixtrans-65.2-45.1174.5160.60000113.1D109 M110 A116 N117D109-C113 WeakPolarHBondContact O-CB 3.45Å; D109-C113 PolarHBondContact O-N 3.28Å; M110-C113 PolarHBondContact O-N 2.91Å; C113-A116 PolarHBondContact O-N 2.85Å; C113-N117 PolarHBondContact O-N 3.32Å
114V50.1Low56.4Low73 Ų7388.8 Ų88.844%0.44251%0.513SS..Hα-helixtrans-70.5-37.7-179.6173.80000111.2M110 N117 A118M110-V114 WeakPolarHBondContact O-CB 3.49Å; M110-V114 VanDerWaalsContact O-CG2 3.27Å; M110-V114 WeakPolarHBondContact O-CG2 3.35Å; M110-V114 PolarHBondContact O-N 3.41Å; V114-N117 PolarHBondContact O-N 2.84Å; V114-A118 WeakPolarHBondContact O-CB 3.41Å; V114-A118 PolarHBondContact O-N 2.95Å
115R48.2Very low56.3Low159 Ų15988.1 Ų88.160%0.651%0.509SS*.Hα-helixtrans-63.6-42.2171.6-82.2-176.8156.8159.3-3.4112.3N111 N117 E119N111-R115 VanDerWaalsContact O-CB 3.25Å; N111-R115 WeakPolarHBondContact O-CB 3.27Å; N111-R115 VanDerWaalsContact O-CG 3.31Å; N111-R115 WeakPolarHBondContact O-CG 3.44Å; N111-R115 PolarHBondContact O-N 3.45Å; N111-R115 VanDerWaalsContact O-N 3.09Å; R115-N117 VanDerWaalsContact C-N 3.28Å; R115-N117 PolarHBondContact O-N 3.17Å; R115-E119 VanDerWaalsContact O-CB 3.27Å; R115-E119 WeakPolarHBondContact O-CB 3.45Å; R115-E119 WeakPolarHBondContact O-CG 3.24Å; R115-E119 PolarHBondContact O-N 3.33Å
116A45.5Very low55.7Low54 Ų5488 Ų8845%0.44650%0.504SS..Hα-helixtrans-63.5-31.4179.700000113.6S112 C113 S120S112-A116 WeakPolarHBondContact O-CB 3.5Å; S112-A116 PolarHBondContact O-N 2.89Å; C113-A116 PolarHBondContact O-N 2.85Å; A116-S120 WeakPolarHBondContact O-CB 3.44Å; A116-S120 PolarHBondContact O-OG 3.4Å
117N43.7Very low55.6Low95 Ų9594.5 Ų94.551%0.50853%0.533SS..Hα-helixtrans-102.9-22.8-173.5-80.3-14000115.5Q14 C113 V114 R115Q14-N117 PolarHBondContact NE2-ND2 3.49Å; Q14-N117 PolarHBondContact OE1-ND2 3.37Å; C113-N117 PolarHBondContact O-N 3.32Å; V114-N117 PolarHBondContact O-N 2.84Å; R115-N117 VanDerWaalsContact C-N 3.28Å; R115-N117 PolarHBondContact O-N 3.17Å
118A46.5Very low55.6Low82 Ų8295.7 Ų95.768%0.67853%0.532SS*.Hα-helixtrans-90.4-20.2177.200000113V114V114-A118 WeakPolarHBondContact O-CB 3.41Å; V114-A118 PolarHBondContact O-N 2.95Å
119E46.5Very low55.6Low55 Ų5593.8 Ų93.826%0.25753%0.528SS..SBendtrans-106.3-8.8-167.9-60.1178.6168.700114R115 Y126R115-E119 VanDerWaalsContact O-CB 3.27Å; R115-E119 WeakPolarHBondContact O-CB 3.45Å; R115-E119 WeakPolarHBondContact O-CG 3.24Å; R115-E119 PolarHBondContact O-N 3.33Å; E119-Y126 HydrophobicContact CB-CD2 4.45Å; E119-Y126 HydrophobicContact CB-CE1 4.07Å; E119-Y126 HydrophobicContact CB-CE2 3.71Å; E119-Y126 VanDerWaalsContact CB-CZ 3.49Å; E119-Y126 WeakPolarHBondContact CB-OH 3.45Å; E119-Y126 HydrophobicContact CG-CE2 4.4Å; E119-Y126 WeakPolarHBondContact CG-OH 3.3Å; E119-Y126 WeakPolarHBondContact O-CD2 3.46Å; E119-Y126 PolarHBondContact OE1-OH 2.88Å; E119-Y126 PolarHBondContact OE2-OH 3.48Å
120S48.9Very low55.7Low90 Ų9095.2 Ų95.263%0.62953%0.528SS*.THydrogen-bonded Turntrans-95.6-2.5-164.7-580000117A116A116-S120 WeakPolarHBondContact O-CB 3.44Å; A116-S120 PolarHBondContact O-OG 3.4Å
121A51.3Low56.1Low98 Ų9898.1 Ų98.181%0.8155%0.553SS**THydrogen-bonded Turntrans-113.9-27.5-175.500000115.5
122D55.7Low57Low154 Ų15495.5 Ų95.582%0.82454%0.541SS*.THydrogen-bonded Turntrans-132.5-2.8-164.9-111.5-9.5000115.7P124D122-P124 VanDerWaalsContact O-CD 3.29Å; D122-P124 WeakPolarHBondContact O-CD 3.37Å
123N54.6Low58.1Low88 Ų8897.1 Ų97.147%0.47155%0.55SS..  trans-100.9105.7177.6-107.7-40.4000110.9L125 Y126N123-L125 PolarHBondContact O-N 2.88Å; N123-Y126 HydrophobicContact CB-CD2 3.6Å; N123-Y126 HydrophobicContact CB-CE2 3.8Å; N123-Y126 PolarHBondContact O-N 3.38Å; N123-Y126 VanDerWaalsContact O-N 3.16Å
124P63Low59.7Low99 Ų99101.3 Ų101.364%0.64357%0.565SS**G310 helixtrans-60.5-12.8177.824.2-33.3000113.1D122 Y126D122-P124 VanDerWaalsContact O-CD 3.29Å; D122-P124 WeakPolarHBondContact O-CD 3.37Å; P124-Y126 VanDerWaalsContact C-N 3.33Å; P124-Y126 PolarHBondContact O-N 3.06Å
125L63.5Low61.2Low93 Ų9399.6 Ų99.649%0.48755%0.551SS.*G310 helixtrans-73.8-15.2178.8-57.3177.9000114.5N123 H127 L128 Y130N123-L125 PolarHBondContact O-N 2.88Å; L125-H127 VanDerWaalsContact C-N 3.35Å; L125-L128 HydrophobicContact CB-CD1 4.47Å; L125-L128 HydrophobicContact CD2-CD1 3.53Å; L125-L128 PolarHBondContact O-N 3.44Å; L125-Y130 PolarHBondContact O-OH 3.4Å; L125-Y130 VanDerWaalsContact O-OH 3.05Å
126Y56.2Low62.9Low123 Ų12397 Ų9748%0.48254%0.541SS..G310 helixtrans-77.8-20.9177.2-79.5-87.1000113.5E119 N123 P124 L128E119-Y126 HydrophobicContact CB-CD2 4.45Å; E119-Y126 HydrophobicContact CB-CE1 4.07Å; E119-Y126 HydrophobicContact CB-CE2 3.71Å; E119-Y126 VanDerWaalsContact CB-CZ 3.49Å; E119-Y126 WeakPolarHBondContact CB-OH 3.45Å; E119-Y126 HydrophobicContact CG-CE2 4.4Å; E119-Y126 WeakPolarHBondContact CG-OH 3.3Å; E119-Y126 WeakPolarHBondContact O-CD2 3.46Å; E119-Y126 PolarHBondContact OE1-OH 2.88Å; E119-Y126 PolarHBondContact OE2-OH 3.48Å; N123-Y126 HydrophobicContact CB-CD2 3.6Å; N123-Y126 HydrophobicContact CB-CE2 3.8Å; N123-Y126 PolarHBondContact O-N 3.38Å; N123-Y126 VanDerWaalsContact O-N 3.16Å; P124-Y126 VanDerWaalsContact C-N 3.33Å; P124-Y126 PolarHBondContact O-N 3.06Å; Y126-L128 VanDerWaalsContact C-N 3.31Å
127H61.8Low64.7Low172 Ų17295.7 Ų95.780%0.79653%0.533SS*.G310 helixtrans-85.4-4.9173.9-63.6-71000113L125 N129L125-H127 VanDerWaalsContact C-N 3.35Å; H127-N129 PolarHBondContact O-N 3.31Å
128L66.3Low66.7Low79 Ų7998.8 Ų98.841%0.41454%0.539SS..  trans-76.3115.8176.9-77.7166.8000110.1L125 Y126 Y130L125-L128 HydrophobicContact CB-CD1 4.47Å; L125-L128 HydrophobicContact CD2-CD1 3.53Å; L125-L128 PolarHBondContact O-N 3.44Å; Y126-L128 VanDerWaalsContact C-N 3.31Å; L128-Y130 WeakPolarHBondContact O-CD2 3.32Å; L128-Y130 VanDerWaalsContact O-CE2 3.27Å; L128-Y130 WeakPolarHBondContact O-CE2 3.46Å; L128-Y130 PolarHBondContact O-N 3.23Å
129N67.8Low68.6Low95 Ų9595 Ų9551%0.50851%0.508SS..  trans-77.1107.2172-169-15.8000109.5H127 S131 T132H127-N129 PolarHBondContact O-N 3.31Å; N129-S131 PolarHBondContact O-N 3.32Å; N129-S131 WeakPolarHBondContact OD1-CB 3.22Å; N129-S131 PolarHBondContact OD1-N 3.22Å; N129-T132 PolarHBondContact O-OG1 3.16Å
130Y70.2Confident70.5Confident112 Ų11295.5 Ų95.544%0.43951%0.51SS..THydrogen-bonded Turntrans-71.6-8.1179-57.2-80.3000113.5L125 L128 F135L125-Y130 PolarHBondContact O-OH 3.4Å; L125-Y130 VanDerWaalsContact O-OH 3.05Å; L128-Y130 WeakPolarHBondContact O-CD2 3.32Å; L128-Y130 VanDerWaalsContact O-CE2 3.27Å; L128-Y130 WeakPolarHBondContact O-CE2 3.46Å; L128-Y130 PolarHBondContact O-N 3.23Å; Y130-F135 AromaticContact CD1-CE1 3.79Å; Y130-F135 HydrophobicContact CD1-CE1 3.79Å; Y130-F135 HydrophobicContact CD1-CE2 4.38Å; Y130-F135 AromaticContact CD1-CZ 3.71Å; Y130-F135 HydrophobicContact CD1-CZ 3.71Å; Y130-F135 HydrophobicContact CE1-CZ 4.15Å
131S70.7Confident72.3Confident111 Ų11197.7 Ų97.778%0.77651%0.508SS*.THydrogen-bonded Turntrans-95.5-6.2-178.8-570000114N129N129-S131 PolarHBondContact O-N 3.32Å; N129-S131 WeakPolarHBondContact OD1-CB 3.22Å; N129-S131 PolarHBondContact OD1-N 3.22Å
132T79.9Confident74Confident51 Ų5196.7 Ų96.731%0.31349%0.489SS..  trans-67.2136.6177.46.10000111.5N129 E134 F135 R136N129-T132 PolarHBondContact O-OG1 3.16Å; T132-E134 PolarHBondContact O-N 3.43Å; T132-F135 PolarHBondContact O-N 3.39Å; T132-F135 VanDerWaalsContact O-N 3.17Å; T132-R136 PolarHBondContact O-N 2.86Å
133P80.1Confident75.5Confident104 Ų10489.4 Ų89.468%0.67545%0.45SS*.Hα-helixtrans-62.3-29.9-179.424.1-33.2000112.6R136 G137P133-R136 PolarHBondContact O-N 3.29Å; P133-G137 PolarHBondContact O-N 2.93Å
134E82.4Confident77Confident141 Ų14190.3 Ų90.366%0.65946%0.455SS*.Hα-helixtrans-61.7-48174.9-66162.2-175.800111.6T132 R136 G137 Y138T132-E134 PolarHBondContact O-N 3.43Å; E134-R136 VanDerWaalsContact C-N 3.3Å; E134-R136 PolarHBondContact O-N 2.9Å; E134-G137 PolarHBondContact O-N 3.35Å; E134-G137 VanDerWaalsContact O-N 3.14Å; E134-Y138 HydrophobicContact CB-CE2 4.36Å; E134-Y138 WeakPolarHBondContact O-CD2 3.4Å; E134-Y138 PolarHBondContact O-N 3Å
135F83.1Confident78.2Confident37 Ų3792.4 Ų92.416%0.16246%0.459CS..Hα-helixtrans-58.3-45.3177-178.2-97.3000110.6Y130 T132 G137 Y138 V139 P154 L158Y130-F135 AromaticContact CD1-CE1 3.79Å; Y130-F135 HydrophobicContact CD1-CE1 3.79Å; Y130-F135 HydrophobicContact CD1-CE2 4.38Å; Y130-F135 AromaticContact CD1-CZ 3.71Å; Y130-F135 HydrophobicContact CD1-CZ 3.71Å; Y130-F135 HydrophobicContact CE1-CZ 4.15Å; T132-F135 PolarHBondContact O-N 3.39Å; T132-F135 VanDerWaalsContact O-N 3.17Å; F135-G137 PolarHBondContact O-N 3.3Å; F135-Y138 PolarHBondContact O-N 3.48Å; F135-V139 HydrophobicContact CD1-CG2 4.05Å; F135-V139 HydrophobicContact CE1-CG2 3.63Å; F135-V139 HydrophobicContact CE2-CG2 4.41Å; F135-V139 HydrophobicContact CZ-CG2 3.84Å; F135-V139 WeakPolarHBondContact O-CG2 3.33Å; F135-V139 PolarHBondContact O-N 3Å; F135-P154 HydrophobicContact CD1-CB 4.43Å; F135-P154 HydrophobicContact CE1-CB 4.32Å; F135-L158 HydrophobicContact CZ-CD1 4.09Å
136R82.6Confident79.2Confident104 Ų10491 Ų9139%0.39245%0.452SS..Hα-helixtrans-58.4-46.2175.6-174.8176.5-179.4157.13.8111.9T132 P133 E134 Y138 V139 E140T132-R136 PolarHBondContact O-N 2.86Å; P133-R136 PolarHBondContact O-N 3.29Å; E134-R136 VanDerWaalsContact C-N 3.3Å; E134-R136 PolarHBondContact O-N 2.9Å; R136-Y138 VanDerWaalsContact C-N 3.31Å; R136-Y138 PolarHBondContact O-N 3.18Å; R136-V139 PolarHBondContact O-N 2.65Å; R136-E140 HydrophobicContact CG-CG 4.41Å; R136-E140 WeakPolarHBondContact CG-OE1 3.13Å; R136-E140 IonicContact CZ-OE1 2.96Å; R136-E140 IonicContact NE-OE1 2.66Å; R136-E140 PolarHBondContact NE-OE1 2.98Å; R136-E140 IonicContact NH2-OE1 3.78Å; R136-E140 WeakPolarHBondContact O-CG 3.29Å; R136-E140 PolarHBondContact O-N 3.16Å
137G84.2Confident80.5Confident27 Ų2788.5 Ų88.528%0.27846%0.463SS..Hα-helixtrans-61.6-35.8177.300000113.4P133 E134 F135 K141P133-G137 PolarHBondContact O-N 2.93Å; E134-G137 PolarHBondContact O-N 3.35Å; E134-G137 VanDerWaalsContact O-N 3.14Å; F135-G137 PolarHBondContact O-N 3.3Å; G137-K141 WeakPolarHBondContact O-CB 3.17Å; G137-K141 WeakPolarHBondContact O-CG 3.5Å; G137-K141 PolarHBondContact O-N 2.87Å
138Y85Confident81.6Confident159 Ų15981.7 Ų81.762%0.62443%0.432SS*.Hα-helixtrans-68.9-40.9173.4-70.7-62.8000112.5E134 F135 R136 K141 L142E134-Y138 HydrophobicContact CB-CE2 4.36Å; E134-Y138 WeakPolarHBondContact O-CD2 3.4Å; E134-Y138 PolarHBondContact O-N 3Å; F135-Y138 PolarHBondContact O-N 3.48Å; R136-Y138 VanDerWaalsContact C-N 3.31Å; R136-Y138 PolarHBondContact O-N 3.18Å; Y138-K141 PolarHBondContact O-N 3.26Å; Y138-L142 WeakPolarHBondContact O-CB 2.93Å; Y138-L142 PolarHBondContact O-N 3.12Å
139V86.5Confident82.3Confident4 Ų484.2 Ų84.22%0.02445%0.451CS..Hα-helixtrans-65.5-411771770000111.3F135 R136 L142 A143 T157 L158F135-V139 HydrophobicContact CD1-CG2 4.05Å; F135-V139 HydrophobicContact CE1-CG2 3.63Å; F135-V139 HydrophobicContact CE2-CG2 4.41Å; F135-V139 HydrophobicContact CZ-CG2 3.84Å; F135-V139 WeakPolarHBondContact O-CG2 3.33Å; F135-V139 PolarHBondContact O-N 3Å; R136-V139 PolarHBondContact O-N 2.65Å; V139-L142 PolarHBondContact O-N 3.24Å; V139-A143 WeakPolarHBondContact O-CB 3.36Å; V139-A143 PolarHBondContact O-N 3.08Å; V139-T157 HydrophobicContact CG1-CG2 3.86Å; V139-L158 HydrophobicContact CG1-CB 4.46Å; V139-L158 HydrophobicContact CG1-CD1 4.37Å; V139-L158 HydrophobicContact CG2-CD1 3.56Å
140E86Confident83Confident64 Ų6482.4 Ų82.430%0.29944%0.441SS..Hα-helixtrans-64.2-45.1176-73174-179.300111.1R136 L142 A143 D144 N150R136-E140 HydrophobicContact CG-CG 4.41Å; R136-E140 WeakPolarHBondContact CG-OE1 3.13Å; R136-E140 IonicContact CZ-OE1 2.96Å; R136-E140 IonicContact NE-OE1 2.66Å; R136-E140 PolarHBondContact NE-OE1 2.98Å; R136-E140 IonicContact NH2-OE1 3.78Å; R136-E140 WeakPolarHBondContact O-CG 3.29Å; R136-E140 PolarHBondContact O-N 3.16Å; E140-L142 VanDerWaalsContact C-N 3.3Å; E140-L142 PolarHBondContact O-N 2.97Å; E140-A143 PolarHBondContact O-N 3.04Å; E140-D144 WeakPolarHBondContact O-CB 3Å; E140-D144 VanDerWaalsContact O-CG 3.25Å; E140-D144 PolarHBondContact O-N 3.4Å; E140-N150 HydrophobicContact CG-CB 4.48Å
141K86.7Confident83.5Confident137 Ų13781.4 Ų81.460%0.59644%0.44SS*.Hα-helixtrans-58.4-42.1172.8-77.7177.8-179.4179.40112.5G137 Y138 A143 D144 I145G137-K141 WeakPolarHBondContact O-CB 3.17Å; G137-K141 WeakPolarHBondContact O-CG 3.5Å; G137-K141 PolarHBondContact O-N 2.87Å; Y138-K141 PolarHBondContact O-N 3.26Å; K141-A143 VanDerWaalsContact C-N 3.34Å; K141-D144 PolarHBondContact O-N 3.03Å; K141-I145 WeakPolarHBondContact O-CD1 3.44Å; K141-I145 VanDerWaalsContact O-CG1 3.25Å; K141-I145 WeakPolarHBondContact O-CG1 3.46Å; K141-I145 PolarHBondContact O-N 3.39Å
142L87Confident83.9Confident77 Ų7780.6 Ų80.640%0.40343%0.432SS..Hα-helixtrans-66.2-39.8179.3-160.184.6000111.3Y138 V139 E140 L146 V161Y138-L142 WeakPolarHBondContact O-CB 2.93Å; Y138-L142 PolarHBondContact O-N 3.12Å; V139-L142 PolarHBondContact O-N 3.24Å; E140-L142 VanDerWaalsContact C-N 3.3Å; E140-L142 PolarHBondContact O-N 2.97Å; L142-L146 HydrophobicContact CG-CD1 4.43Å; L142-L146 WeakPolarHBondContact O-CG 3.48Å; L142-L146 PolarHBondContact O-N 3.19Å; L142-L146 VanDerWaalsContact O-N 3.15Å; L142-V161 HydrophobicContact CD2-CB 4.3Å; L142-V161 HydrophobicContact CD2-CG1 3.34Å; L142-V161 HydrophobicContact CD2-CG2 4.14Å; L142-V161 HydrophobicContact CG-CG1 4.26Å
143A87.9Confident84Confident0 Ų082 Ų820%044%0.438CS..Hα-helixtrans-67-40.1175.600000112V139 E140 K141 L146 G147 I148 N150 T157V139-A143 WeakPolarHBondContact O-CB 3.36Å; V139-A143 PolarHBondContact O-N 3.08Å; E140-A143 PolarHBondContact O-N 3.04Å; K141-A143 VanDerWaalsContact C-N 3.34Å; A143-L146 CarbonylContact O-C 3.17Å; A143-L146 PolarHBondContact O-N 2.81Å; A143-L146 VanDerWaalsContact O-N 3.15Å; A143-G147 PolarHBondContact O-N 3.18Å; A143-I148 HydrophobicContact CB-CB 4.25Å; A143-I148 PolarHBondContact O-N 3.34Å; A143-N150 WeakPolarHBondContact CB-OD1 3.3Å; A143-T157 HydrophobicContact CB-CG2 3.68Å
144D87.2Confident84Confident108 Ų10878 Ų7858%0.57841%0.412SS*.Hα-helixtrans-62.4-43.1175.7-71.2-16000111.3E140 K141 L146 G147 N150E140-D144 WeakPolarHBondContact O-CB 3Å; E140-D144 VanDerWaalsContact O-CG 3.25Å; E140-D144 PolarHBondContact O-N 3.4Å; K141-D144 PolarHBondContact O-N 3.03Å; D144-L146 VanDerWaalsContact C-N 3.25Å; D144-L146 PolarHBondContact O-N 3.43Å; D144-G147 PolarHBondContact O-N 3.48Å; D144-N150 PolarHBondContact OD1-ND2 3.4Å
145I87.2Confident84Confident143 Ų14373.7 Ų73.773%0.73340%0.4SS*.Hα-helixtrans-60.9-37.2175-67.7164000111.2K141K141-I145 WeakPolarHBondContact O-CD1 3.44Å; K141-I145 VanDerWaalsContact O-CG1 3.25Å; K141-I145 WeakPolarHBondContact O-CG1 3.46Å; K141-I145 PolarHBondContact O-N 3.39Å
146L83.9Confident84Confident63 Ų6375.2 Ų75.233%0.3341%0.413SS..Hα-helixtrans-89.4-3.8-178.4-69.6168000113.8L142 A143 D144 I148 V161 V165L142-L146 HydrophobicContact CG-CD1 4.43Å; L142-L146 WeakPolarHBondContact O-CG 3.48Å; L142-L146 PolarHBondContact O-N 3.19Å; L142-L146 VanDerWaalsContact O-N 3.15Å; A143-L146 CarbonylContact O-C 3.17Å; A143-L146 PolarHBondContact O-N 2.81Å; A143-L146 VanDerWaalsContact O-N 3.15Å; D144-L146 VanDerWaalsContact C-N 3.25Å; D144-L146 PolarHBondContact O-N 3.43Å; L146-I148 HydrophobicContact CB-CD1 3.9Å; L146-I148 HydrophobicContact CB-CG1 3.89Å; L146-I148 HydrophobicContact CD1-CD1 4.28Å; L146-V161 HydrophobicContact CD1-CB 4.21Å; L146-V161 HydrophobicContact CD1-CG1 3.63Å; L146-V161 HydrophobicContact CD1-CG2 4.04Å; L146-V165 HydrophobicContact CD1-CG2 4.11Å
147G84.6Confident84.1Confident70 Ų7070.5 Ų70.572%0.72240%0.395SS*.THydrogen-bonded Turntrans66.532.3-177.200000114.3A143 D144A143-G147 PolarHBondContact O-N 3.18Å; D144-G147 PolarHBondContact O-N 3.48Å
148I83.7Confident84.2Confident29 Ų2972.5 Ų72.515%0.14940%0.399CS..PPolyproline II helixtrans-97.5140.7-179.3-52.1175.9000109.7A143 L146 N150 A160 V161 L164A143-I148 HydrophobicContact CB-CB 4.25Å; A143-I148 PolarHBondContact O-N 3.34Å; L146-I148 HydrophobicContact CB-CD1 3.9Å; L146-I148 HydrophobicContact CB-CG1 3.89Å; L146-I148 HydrophobicContact CD1-CD1 4.28Å; I148-N150 PolarHBondContact O-N 3.45Å; I148-A160 HydrophobicContact CG2-CB 4.02Å; I148-V161 HydrophobicContact CD1-CB 4.26Å; I148-V161 HydrophobicContact CD1-CG2 3.72Å; I148-L164 HydrophobicContact CD1-CB 4.22Å; I148-L164 HydrophobicContact CD1-CD1 3.61Å; I148-L164 HydrophobicContact CG1-CD1 3.6Å
149V82.6Confident84.2Confident133 Ų13371.9 Ų71.981%0.80640%0.4SS*.PPolyproline II helixtrans-68.3126.7176.1-1790000110.7
150N81.2Confident84.1Confident57 Ų5773.5 Ų73.531%0.30541%0.413SS..PPolyproline II helixtrans-68.9139.2177.4-74.2-29.9000111.7E140 A143 D144 I148E140-N150 HydrophobicContact CG-CB 4.48Å; A143-N150 WeakPolarHBondContact CB-OD1 3.3Å; D144-N150 PolarHBondContact OD1-ND2 3.4Å; I148-N150 PolarHBondContact O-N 3.45Å
151H80Confident84.1Confident90 Ų9070.9 Ų70.942%0.41740%0.402SS..  trans-117.8146.2-179.1-171.4-90.7000109.2N153 T157H151-N153 PolarHBondContact ND1-N 3.22Å; H151-N153 VanDerWaalsContact ND1-N 3.17Å; H151-N153 PolarHBondContact O-N 3.18Å; H151-T157 WeakPolarHBondContact CB-OG1 3.21Å; H151-T157 PolarHBondContact N-OG1 3.27Å
152P80.6Confident84.1Confident95 Ų9567.1 Ų67.162%0.61739%0.393SS*.SBendtrans-58-21.4179.616.7-30.5000114.6
153N81.3Confident84Confident80 Ų8067.7 Ų67.743%0.42840%0.395SS..SBendtrans-101.1111.1172.1-173.1-15.9000110.6H151 A155 V156 T157H151-N153 PolarHBondContact ND1-N 3.22Å; H151-N153 VanDerWaalsContact ND1-N 3.17Å; H151-N153 PolarHBondContact O-N 3.18Å; N153-A155 PolarHBondContact O-N 3.22Å; N153-A155 WeakPolarHBondContact OD1-CB 3.23Å; N153-A155 PolarHBondContact OD1-N 2.78Å; N153-A155 VanDerWaalsContact OD1-N 3.12Å; N153-V156 HydrophobicContact CB-CB 4.49Å; N153-V156 HydrophobicContact CB-CG2 3.94Å; N153-V156 WeakPolarHBondContact O-CB 3.48Å; N153-V156 PolarHBondContact O-N 3.45Å; N153-T157 PolarHBondContact O-N 3.03Å
154P79.6Confident83.8Confident20 Ų2070 Ų7013%0.1341%0.407CS..Hα-helixtrans-63-26.3-176.622.7-31.5000113.3F135 V156 T157 L158F135-P154 HydrophobicContact CD1-CB 4.43Å; F135-P154 HydrophobicContact CE1-CB 4.32Å; P154-V156 VanDerWaalsContact C-N 3.3Å; P154-V156 PolarHBondContact O-N 3.2Å; P154-T157 PolarHBondContact O-N 3.32Å; P154-L158 WeakPolarHBondContact O-CB 3.37Å; P154-L158 PolarHBondContact O-N 3.38Å
155A82Confident83.7Confident50 Ų5067.4 Ų67.441%0.41340%0.395SS..Hα-helixtrans-66.4-32.917600000112.4N153 K159N153-A155 PolarHBondContact O-N 3.22Å; N153-A155 WeakPolarHBondContact OD1-CB 3.23Å; N153-A155 PolarHBondContact OD1-N 2.78Å; N153-A155 VanDerWaalsContact OD1-N 3.12Å; A155-K159 WeakPolarHBondContact O-CB 3.49Å; A155-K159 PolarHBondContact O-N 3.26Å
156V84.1Confident83.4Confident70 Ų7067 Ų6742%0.42439%0.391SS..Hα-helixtrans-71.7-43.2177.9-179.40000110N153 P154 K159 A160N153-V156 HydrophobicContact CB-CB 4.49Å; N153-V156 HydrophobicContact CB-CG2 3.94Å; N153-V156 WeakPolarHBondContact O-CB 3.48Å; N153-V156 PolarHBondContact O-N 3.45Å; P154-V156 VanDerWaalsContact C-N 3.3Å; P154-V156 PolarHBondContact O-N 3.2Å; V156-K159 PolarHBondContact O-N 3.44Å; V156-A160 PolarHBondContact O-N 2.79Å
157T84.9Confident83.2Confident5 Ų568.9 Ų68.93%0.03140%0.397CS..Hα-helixtrans-62.4-43.5175.3-480000111V139 A143 H151 N153 P154 K159 A160 V161V139-T157 HydrophobicContact CG1-CG2 3.86Å; A143-T157 HydrophobicContact CB-CG2 3.68Å; H151-T157 WeakPolarHBondContact CB-OG1 3.21Å; H151-T157 PolarHBondContact N-OG1 3.27Å; N153-T157 PolarHBondContact O-N 3.03Å; P154-T157 PolarHBondContact O-N 3.32Å; T157-K159 VanDerWaalsContact C-N 3.31Å; T157-K159 PolarHBondContact O-N 2.84Å; T157-A160 WeakPolarHBondContact O-CB 3.38Å; T157-A160 PolarHBondContact O-N 2.64Å; T157-A160 VanDerWaalsContact O-N 3.16Å; T157-V161 WeakPolarHBondContact O-CG2 3.38Å; T157-V161 PolarHBondContact O-N 3.05Å
158L85.9Confident82.8Confident69 Ų6974.2 Ų74.236%0.36140%0.396SS..Hα-helixtrans-63.4-36.8176.1-157.4104.2000112.3F135 V139 P154 V161 S162F135-L158 HydrophobicContact CZ-CD1 4.09Å; V139-L158 HydrophobicContact CG1-CB 4.46Å; V139-L158 HydrophobicContact CG1-CD1 4.37Å; V139-L158 HydrophobicContact CG2-CD1 3.56Å; P154-L158 WeakPolarHBondContact O-CB 3.37Å; P154-L158 PolarHBondContact O-N 3.38Å; L158-V161 WeakPolarHBondContact O-CB 3.4Å; L158-V161 PolarHBondContact O-N 3.25Å; L158-S162 WeakPolarHBondContact O-CB 3.27Å; L158-S162 PolarHBondContact O-N 3.11Å
159K85Confident82.2Confident146 Ų14678.1 Ų78.164%0.63542%0.416SS*.Hα-helixtrans-65.8-41174.3-168.7168.7-176.7176.70111.5A155 V156 T157 S162 I163A155-K159 WeakPolarHBondContact O-CB 3.49Å; A155-K159 PolarHBondContact O-N 3.26Å; V156-K159 PolarHBondContact O-N 3.44Å; T157-K159 VanDerWaalsContact C-N 3.31Å; T157-K159 PolarHBondContact O-N 2.84Å; K159-S162 PolarHBondContact O-N 3.39Å; K159-I163 HydrophobicContact CG-CD1 4.21Å; K159-I163 VanDerWaalsContact O-CG1 3.28Å; K159-I163 WeakPolarHBondContact O-CG1 3.36Å; K159-I163 PolarHBondContact O-N 3.16Å
160A84.1Confident81.4Confident37 Ų3774.1 Ų74.131%0.30640%0.402SS..Hα-helixtrans-62.2-45.1174.500000111.6I148 V156 T157 S162 I163 L164I148-A160 HydrophobicContact CG2-CB 4.02Å; V156-A160 PolarHBondContact O-N 2.79Å; T157-A160 WeakPolarHBondContact O-CB 3.38Å; T157-A160 PolarHBondContact O-N 2.64Å; T157-A160 VanDerWaalsContact O-N 3.16Å; A160-S162 PolarHBondContact O-N 2.95Å; A160-I163 PolarHBondContact O-N 3.46Å; A160-L164 WeakPolarHBondContact O-CB 3.39Å; A160-L164 PolarHBondContact O-N 3.12Å
161V86.8Confident80.2Confident10 Ų1077 Ų776%0.06141%0.412CS..Hα-helixtrans-53.7-52.9171.1165.90000110.3L142 L146 I148 T157 L158 I163 L164 V165L142-V161 HydrophobicContact CD2-CB 4.3Å; L142-V161 HydrophobicContact CD2-CG1 3.34Å; L142-V161 HydrophobicContact CD2-CG2 4.14Å; L142-V161 HydrophobicContact CG-CG1 4.26Å; L146-V161 HydrophobicContact CD1-CB 4.21Å; L146-V161 HydrophobicContact CD1-CG1 3.63Å; L146-V161 HydrophobicContact CD1-CG2 4.04Å; I148-V161 HydrophobicContact CD1-CB 4.26Å; I148-V161 HydrophobicContact CD1-CG2 3.72Å; T157-V161 WeakPolarHBondContact O-CG2 3.38Å; T157-V161 PolarHBondContact O-N 3.05Å; L158-V161 WeakPolarHBondContact O-CB 3.4Å; L158-V161 PolarHBondContact O-N 3.25Å; V161-I163 VanDerWaalsContact C-N 3.3Å; V161-I163 PolarHBondContact O-N 2.99Å; V161-L164 PolarHBondContact O-N 2.88Å; V161-L164 VanDerWaalsContact O-N 3.16Å; V161-V165 HydrophobicContact CG1-CG2 4.09Å; V161-V165 WeakPolarHBondContact O-CB 3.36Å; V161-V165 WeakPolarHBondContact O-CG2 3.49Å; V161-V165 PolarHBondContact O-N 3.28Å
162S86.5Confident78.6Confident57 Ų5778.6 Ų78.640%0.39942%0.417SS..Hα-helixtrans-58.3-42.2-177.7177.70000112.3L158 K159 A160 Q166L158-S162 WeakPolarHBondContact O-CB 3.27Å; L158-S162 PolarHBondContact O-N 3.11Å; K159-S162 PolarHBondContact O-N 3.39Å; A160-S162 PolarHBondContact O-N 2.95Å; S162-Q166 WeakPolarHBondContact O-CB 3.29Å; S162-Q166 PolarHBondContact O-N 2.89Å
163I84.3Confident76.8Confident90 Ų9078.6 Ų78.646%0.46242%0.42SS..Hα-helixtrans-64.7-45.8178.2-68.4165000109.9K159 A160 V161 Q166 E167K159-I163 HydrophobicContact CG-CD1 4.21Å; K159-I163 VanDerWaalsContact O-CG1 3.28Å; K159-I163 WeakPolarHBondContact O-CG1 3.36Å; K159-I163 PolarHBondContact O-N 3.16Å; A160-I163 PolarHBondContact O-N 3.46Å; V161-I163 VanDerWaalsContact C-N 3.3Å; V161-I163 PolarHBondContact O-N 2.99Å; I163-Q166 PolarHBondContact O-N 2.95Å; I163-E167 PolarHBondContact O-N 3.38Å
164L83.6Confident75.1Confident48 Ų4881.5 Ų81.525%0.25144%0.435SS..Hα-helixtrans-64.9-44.3-179-152.3162.1000110.9I148 A160 V161 E167 R168I148-L164 HydrophobicContact CD1-CB 4.22Å; I148-L164 HydrophobicContact CD1-CD1 3.61Å; I148-L164 HydrophobicContact CG1-CD1 3.6Å; A160-L164 WeakPolarHBondContact O-CB 3.39Å; A160-L164 PolarHBondContact O-N 3.12Å; V161-L164 PolarHBondContact O-N 2.88Å; V161-L164 VanDerWaalsContact O-N 3.16Å; L164-E167 PolarHBondContact O-N 3.02Å; L164-R168 HydrophobicContact CD2-CG 3.74Å; L164-R168 WeakPolarHBondContact O-CB 3.25Å; L164-R168 WeakPolarHBondContact O-CG 3.49Å; L164-R168 PolarHBondContact O-N 3.42Å
165V85.5Confident73.4Confident53 Ų5381.9 Ų81.932%0.32144%0.437SS..Hα-helixtrans-60.7-46.3175.4170.30000110.4L146 V161 R168 L169L146-V165 HydrophobicContact CD1-CG2 4.11Å; V161-V165 HydrophobicContact CG1-CG2 4.09Å; V161-V165 WeakPolarHBondContact O-CB 3.36Å; V161-V165 WeakPolarHBondContact O-CG2 3.49Å; V161-V165 PolarHBondContact O-N 3.28Å; V165-R168 PolarHBondContact O-N 2.92Å; V165-L169 HydrophobicContact CG1-CD1 3.47Å; V165-L169 VanDerWaalsContact CG1-CD1 3.47Å; V165-L169 WeakPolarHBondContact O-CB 3.47Å; V165-L169 PolarHBondContact O-N 2.88Å
166Q81.7Confident71.4Confident136 Ų13684 Ų8464%0.63645%0.449SS*.Hα-helixtrans-63.2-42.1175.2-87.6-178.8-8.500112.9S162 I163 R168 G170S162-Q166 WeakPolarHBondContact O-CB 3.29Å; S162-Q166 PolarHBondContact O-N 2.89Å; I163-Q166 PolarHBondContact O-N 2.95Å; Q166-R168 VanDerWaalsContact C-N 3.32Å; Q166-R168 PolarHBondContact O-N 3.2Å; Q166-G170 VanDerWaalsContact O-CA 3.31Å; Q166-G170 WeakPolarHBondContact O-CA 3.44Å; Q166-G170 PolarHBondContact O-N 3.35Å
167E78.8Confident69.4Low101 Ų10190.1 Ų90.147%0.47247%0.47SS..Hα-helixtrans-64.5-37.5176.8-85.8-159.9132.200112.2I163 L164 K171 R216I163-E167 PolarHBondContact O-N 3.38Å; L164-E167 PolarHBondContact O-N 3.02Å; E167-K171 PolarHBondContact O-N 3.28Å; E167-R216 IonicContact OE1-NH2 2.81Å
168R76.1Confident67.4Low183 Ų18392.2 Ų92.269%0.69149%0.488SS*.Hα-helixtrans-75.9-42.5179.9-68-69.3-162.7-175.24.8112.4L164 V165 Q166 K172L164-R168 HydrophobicContact CD2-CG 3.74Å; L164-R168 WeakPolarHBondContact O-CB 3.25Å; L164-R168 WeakPolarHBondContact O-CG 3.49Å; L164-R168 PolarHBondContact O-N 3.42Å; V165-R168 PolarHBondContact O-N 2.92Å; Q166-R168 VanDerWaalsContact C-N 3.32Å; Q166-R168 PolarHBondContact O-N 3.2Å; R168-K172 PolarHBondContact O-N 2.96Å
169L71.6Confident65.4Low111 Ų11194.7 Ų94.758%0.58150%0.498SS*.Hα-helixtrans-80.4-38.6-179.8-80.3152.4000112.6V165 K171 K172 S173V165-L169 HydrophobicContact CG1-CD1 3.47Å; V165-L169 VanDerWaalsContact CG1-CD1 3.47Å; V165-L169 WeakPolarHBondContact O-CB 3.47Å; V165-L169 PolarHBondContact O-N 2.88Å; L169-K171 PolarHBondContact O-N 3.29Å; L169-K172 PolarHBondContact O-N 3.43Å; L169-S173 PolarHBondContact O-N 2.97Å
170G65.4Low63.4Low49 Ų4996.6 Ų96.651%0.50551%0.509SS..Hα-helixtrans-64.7-26.4176.500000112.7Q166 S173Q166-G170 VanDerWaalsContact O-CA 3.31Å; Q166-G170 WeakPolarHBondContact O-CA 3.44Å; Q166-G170 PolarHBondContact O-N 3.35Å; G170-S173 PolarHBondContact O-OG 3.48Å
171K55.4Low61.3Low116 Ų116103.9 Ų103.950%0.50453%0.533SS..Hα-helixtrans-75.1-40.6166.7-87.8175.3177.6167.30112.4E167 L169 S173 D174 V175E167-K171 PolarHBondContact O-N 3.28Å; L169-K171 PolarHBondContact O-N 3.29Å; K171-S173 PolarHBondContact O-N 3.37Å; K171-S173 VanDerWaalsContact O-N 3.17Å; K171-D174 PolarHBondContact O-N 2.98Å; K171-V175 HydrophobicContact CB-CG2 4.02Å; K171-V175 HydrophobicContact CG-CG2 4.36Å; K171-V175 WeakPolarHBondContact O-CB 3.12Å; K171-V175 WeakPolarHBondContact O-CG2 3.29Å; K171-V175 PolarHBondContact O-N 3.33Å
172K46.8Very low59.2Low124 Ų124113.8 Ų113.854%0.53957%0.57SS.*Hα-helixtrans-62.1-26.1-175.4-84.2-175.3173.6-174.80114.7R168 L169 D174 S176R168-K172 PolarHBondContact O-N 2.96Å; L169-K172 PolarHBondContact O-N 3.43Å; K172-D174 VanDerWaalsContact C-N 3.32Å; K172-D174 PolarHBondContact O-N 3.45Å; K172-S176 PolarHBondContact O-N 3.11Å; K172-S176 PolarHBondContact O-OG 3.46Å
173S44.3Very low56.8Low96 Ų96115.6 Ų115.667%0.67158%0.582SS**Hα-helixtrans-67.9-27.8174.849.60000113.9L169 G170 K171L169-S173 PolarHBondContact O-N 2.97Å; G170-S173 PolarHBondContact O-OG 3.48Å; K171-S173 PolarHBondContact O-N 3.37Å; K171-S173 VanDerWaalsContact O-N 3.17Å
174D45Very low54.9Low140 Ų140120 Ų12075%0.74960%0.601SS**Hα-helixtrans-103.1-20.1174.1-81.8-32.7000113.5K171 K172K171-D174 PolarHBondContact O-N 2.98Å; K172-D174 VanDerWaalsContact C-N 3.32Å; K172-D174 PolarHBondContact O-N 3.45Å
175V43.7Very low53.3Low29 Ų29126.6 Ų126.618%0.17663%0.631CS.*Hα-helixtrans-98.9-9.7-167.1-177.90000113.2K171 K177 A178 E179K171-V175 HydrophobicContact CB-CG2 4.02Å; K171-V175 HydrophobicContact CG-CG2 4.36Å; K171-V175 WeakPolarHBondContact O-CB 3.12Å; K171-V175 WeakPolarHBondContact O-CG2 3.29Å; K171-V175 PolarHBondContact O-N 3.33Å; V175-K177 PolarHBondContact O-N 3.41Å; V175-A178 HydrophobicContact CG1-CB 4.34Å; V175-A178 PolarHBondContact O-N 2.93Å; V175-E179 HydrophobicContact CG1-CB 3.71Å; V175-E179 HydrophobicContact CG1-CG 3.25Å; V175-E179 WeakPolarHBondContact CG1-OE1 3.42Å; V175-E179 PolarHBondContact O-N 3.25Å
176S40.7Very low51.8Low93 Ų93133.6 Ų133.665%0.6566%0.657SS**THydrogen-bonded Turntrans-62.1-9.7175.3-58.70000114K172K172-S176 PolarHBondContact O-N 3.11Å; K172-S176 PolarHBondContact O-OG 3.46Å
177K42.2Very low51Low199 Ų199132.1 Ų132.187%0.86566%0.657SS**THydrogen-bonded Turntrans-110.1-8.9166-77.5-176.2176.3178.20115V175V175-K177 PolarHBondContact O-N 3.41Å
178A42.6Very low50.7Low49 Ų49132.4 Ų132.441%0.40566%0.661SS.*THydrogen-bonded Turntrans-105.4-23-175.700000113.8V175 K181V175-A178 HydrophobicContact CG1-CB 4.34Å; V175-A178 PolarHBondContact O-N 2.93Å; A178-K181 PolarHBondContact O-N 3.07Å
179E42.6Very low50.6Low122 Ų122127 Ų12757%0.5765%0.646SS**G310 helixtrans-74.1-27.9179.9-103.6164-16400113.5V175 K181 R182V175-E179 HydrophobicContact CG1-CB 3.71Å; V175-E179 HydrophobicContact CG1-CG 3.25Å; V175-E179 WeakPolarHBondContact CG1-OE1 3.42Å; V175-E179 PolarHBondContact O-N 3.25Å; E179-K181 PolarHBondContact O-N 2.98Å; E179-R182 PolarHBondContact O-N 3.05Å
180E43.2Very low50.7Low186 Ų186125.5 Ų125.587%0.86964%0.638SS**G310 helixtrans-69.3-12.9172.8-86.2-178.6161.900113.9
181K39.9Very low51.1Low189 Ų189126.8 Ų126.882%0.82264%0.639SS**G310 helixtrans-111.24.7179.9-140.4177.4-174.9-179.80114.2A178 E179A178-K181 PolarHBondContact O-N 3.07Å; E179-K181 PolarHBondContact O-N 2.98Å
182R43.2Very low52Low219 Ų219122.5 Ų122.583%0.82662%0.623SS**  trans-10426.5-178.4-118.7-177.6-172.5-163.42.1113.9E179 E184E179-R182 PolarHBondContact O-N 3.05Å; R182-E184 PolarHBondContact O-N 3.45Å
183S36.8Very low53.4Low95 Ų95124.7 Ų124.766%0.66464%0.635SS**  trans-55.1102.5161.451.80000109.8E185S183-E185 PolarHBondContact O-N 3.49Å
184E42.6Very low54.9Low182 Ų182120.7 Ų120.785%0.8561%0.606SS**  trans78.318.8137.7-56.3-176.6161.900121.1R182 K186R182-E184 PolarHBondContact O-N 3.45Å; E184-K186 VanDerWaalsContact C-N 3.3Å; E184-K186 PolarHBondContact O-N 3.49Å
185E50.3Low56.5Low187 Ų187117.6 Ų117.687%0.87461%0.607SS**  trans-81.782157.5-88.4-175.8165.600110.3S183 V187S183-E185 PolarHBondContact O-N 3.49Å; E185-V187 PolarHBondContact O-N 3.15Å
186K55.6Low58.2Low200 Ų200121.9 Ų121.987%0.8762%0.624SS**  trans-63.7100.5161.2-76.2-178.8180174.10107.2E184 D188E184-K186 VanDerWaalsContact C-N 3.3Å; E184-K186 PolarHBondContact O-N 3.49Å; K186-D188 PolarHBondContact O-N 2.97Å
187V63.3Low60Low105 Ų105123 Ų12364%0.63662%0.623SS**  trans-59.2113.1172.6178.70000107.5E185 L189 V192E185-V187 PolarHBondContact O-N 3.15Å; V187-L189 PolarHBondContact O-N 3.44Å; V187-V192 HydrophobicContact CG1-CG2 4.42Å
188D73.5Confident61.6Low107 Ų107116.6 Ų116.657%0.57260%0.6SS**  trans-65.7119.5178.8-165.70.5000108.5K186 D190 S191K186-D188 PolarHBondContact O-N 2.97Å; D188-D190 PolarHBondContact O-N 2.91Å; D188-D190 VanDerWaalsContact O-N 3.07Å; D188-S191 WeakPolarHBondContact O-CB 3.24Å; D188-S191 PolarHBondContact O-N 2.89Å; D188-S191 PolarHBondContact O-OG 2.92Å
189L72.9Confident63.3Low70 Ų70123.6 Ų123.637%0.36662%0.621SS.*G310 helixtrans-55.5-30.2-177.7-89.9159.6000110.6V187 S191 V192 R208 I209 L212V187-L189 PolarHBondContact O-N 3.44Å; L189-S191 VanDerWaalsContact C-N 3.29Å; L189-S191 PolarHBondContact O-N 3.11Å; L189-V192 PolarHBondContact O-N 2.84Å; L189-R208 WeakPolarHBondContact O-CD 3.48Å; L189-I209 HydrophobicContact CD2-CG1 3.92Å; L189-L212 HydrophobicContact CD2-CD1 3.69Å
190D73.9Confident65.3Low78 Ų78121.3 Ų121.342%0.41761%0.613SS.*G310 helixtrans-74.3-18.1-178.2-68.8-38.3000114.2D188 V192 R208D188-D190 PolarHBondContact O-N 2.91Å; D188-D190 VanDerWaalsContact O-N 3.07Å; D190-V192 VanDerWaalsContact C-N 3.29Å; D190-V192 PolarHBondContact O-N 3.29Å; D190-R208 PolarHBondContact O-NH2 2.79Å; D190-R208 IonicContact OD1-CZ 3.54Å; D190-R208 IonicContact OD1-NH1 3.97Å; D190-R208 PolarHBondContact OD1-NH1 3.42Å
191S75.5Confident67.2Low76 Ų76118.6 Ų118.653%0.53160%0.603SS.*G310 helixtrans-74.8-16.9175.571.40000113.8D188 L189 H193D188-S191 WeakPolarHBondContact O-CB 3.24Å; D188-S191 PolarHBondContact O-N 2.89Å; D188-S191 PolarHBondContact O-OG 2.92Å; L189-S191 VanDerWaalsContact C-N 3.29Å; L189-S191 PolarHBondContact O-N 3.11Å; S191-H193 PolarHBondContact O-N 3.3Å
192V73Confident69.4Low26 Ų26114.6 Ų114.616%0.15859%0.594CS.*SBendtrans-77.7116.2-174.5-176.30000109.9V187 L189 D190 L194 R208 L212V187-V192 HydrophobicContact CG1-CG2 4.42Å; L189-V192 PolarHBondContact O-N 2.84Å; D190-V192 VanDerWaalsContact C-N 3.29Å; D190-V192 PolarHBondContact O-N 3.29Å; V192-L194 PolarHBondContact O-N 2.92Å; V192-L194 VanDerWaalsContact O-N 3.15Å; V192-R208 WeakPolarHBondContact O-CD 3.08Å; V192-R208 PolarHBondContact O-NE 2.93Å; V192-L212 HydrophobicContact CG1-CD2 4.44Å; V192-L212 HydrophobicContact CG1-CG 4.41Å; V192-L212 HydrophobicContact CG2-CD1 4.29Å; V192-L212 HydrophobicContact CG2-CD2 4.21Å; V192-L212 HydrophobicContact CG2-CG 4.42Å
193H77.6Confident71.4Confident170 Ų170108.5 Ų108.579%0.78758%0.578SS**  trans-65114.2177.1-80.8-46.5000111.5S191 R211S191-H193 PolarHBondContact O-N 3.3Å; H193-R211 PolarHBondContact O-NE 2.85Å
194L74.2Confident73.7Confident12 Ų12105.2 Ų105.26%0.06355%0.553CS.*  trans-77.7-31.4-179.5-16561.5000112.1V192 F196 N204 G207 R208 R211V192-L194 PolarHBondContact O-N 2.92Å; V192-L194 VanDerWaalsContact O-N 3.15Å; L194-F196 HydrophobicContact CD1-CE1 4.11Å; L194-F196 HydrophobicContact CD1-CE2 4.17Å; L194-F196 HydrophobicContact CD1-CZ 3.74Å; L194-F196 HydrophobicContact CD2-CD2 4.01Å; L194-F196 HydrophobicContact CD2-CE2 3.72Å; L194-F196 HydrophobicContact CD2-CZ 4.15Å; L194-F196 WeakPolarHBondContact CD2-O 3.44Å; L194-F196 HydrophobicContact CG-CD1 4.24Å; L194-F196 HydrophobicContact CG-CD2 4.06Å; L194-F196 HydrophobicContact CG-CE1 3.96Å; L194-F196 HydrophobicContact CG-CE2 3.76Å; L194-F196 HydrophobicContact CG-CG 4.29Å; L194-F196 HydrophobicContact CG-CZ 3.71Å; L194-F196 VanDerWaalsContact O-CD1 3.24Å; L194-F196 WeakPolarHBondContact O-CD1 3.31Å; L194-F196 WeakPolarHBondContact O-CE1 3.47Å; L194-F196 PolarHBondContact O-N 3.01Å; L194-N204 HydrophobicContact CD2-CB 3.88Å; L194-N204 WeakPolarHBondContact CD2-O 3.29Å; L194-N204 WeakPolarHBondContact CD2-OD1 3.36Å; L194-G207 WeakPolarHBondContact CD1-O 3.44Å; L194-R208 HydrophobicContact CB-CG 4.14Å; L194-R208 HydrophobicContact CD1-CB 4.27Å; L194-R208 HydrophobicContact CD1-CG 3.71Å; L194-R208 HydrophobicContact CD2-CG 4.43Å; L194-R208 HydrophobicContact CG-CG 4.33Å; L194-R211 PolarHBondContact O-NH1 3.4Å
195G79.4Confident75.7Confident76 Ų76101.2 Ų101.278%0.78453%0.532SS*.SBendtrans77.6-8.6-179.500000114.5
196F78.5Confident77.5Confident119 Ų11994.5 Ų94.552%0.52251%0.509SS..SBendtrans-140.5154.2171.554-90000108.6L194L194-F196 HydrophobicContact CD1-CE1 4.11Å; L194-F196 HydrophobicContact CD1-CE2 4.17Å; L194-F196 HydrophobicContact CD1-CZ 3.74Å; L194-F196 HydrophobicContact CD2-CD2 4.01Å; L194-F196 HydrophobicContact CD2-CE2 3.72Å; L194-F196 HydrophobicContact CD2-CZ 4.15Å; L194-F196 WeakPolarHBondContact CD2-O 3.44Å; L194-F196 HydrophobicContact CG-CD1 4.24Å; L194-F196 HydrophobicContact CG-CD2 4.06Å; L194-F196 HydrophobicContact CG-CE1 3.96Å; L194-F196 HydrophobicContact CG-CE2 3.76Å; L194-F196 HydrophobicContact CG-CG 4.29Å; L194-F196 HydrophobicContact CG-CZ 3.71Å; L194-F196 VanDerWaalsContact O-CD1 3.24Å; L194-F196 WeakPolarHBondContact O-CD1 3.31Å; L194-F196 WeakPolarHBondContact O-CE1 3.47Å; L194-F196 PolarHBondContact O-N 3.01Å
197D79.5Confident78.9Confident117 Ų11785.6 Ų85.663%0.62647%0.474SS*.  trans-123.9118.1175.8-176.75.5000109K199 N204D197-K199 VanDerWaalsContact C-N 3.31Å; D197-K199 PolarHBondContact OD1-N 3.32Å; D197-N204 PolarHBondContact OD1-ND2 3.47Å
198T76.2Confident80Confident64 Ų6483 Ų8339%0.39345%0.453SS..  trans-87.72.9-179.1-0.90000113.2D200 L203 N204T198-D200 PolarHBondContact O-N 3.24Å; T198-L203 HydrophobicContact CG2-CD2 3.86Å; T198-N204 PolarHBondContact N-OD1 3.21Å; T198-N204 PolarHBondContact OG1-OD1 3.05Å
199K77.9Confident80.7Confident195 Ų19581.8 Ų81.885%0.84845%0.446SS*.SBendtrans62.7-11.1-173-56.5-177.3179.4-179.20115.6D197D197-K199 VanDerWaalsContact C-N 3.31Å; D197-K199 PolarHBondContact OD1-N 3.32Å
200D84.2Confident81.4Confident74 Ų7484.3 Ų84.340%0.39646%0.459SS..  trans-104.5124.9172.3-174.5-8.6000110.3T198 V202 L203 N204T198-D200 PolarHBondContact O-N 3.24Å; D200-V202 VanDerWaalsContact C-N 3.28Å; D200-V202 PolarHBondContact O-N 3.45Å; D200-V202 PolarHBondContact OD1-N 2.96Å; D200-L203 HydrophobicContact CB-CB 4.2Å; D200-L203 HydrophobicContact CB-CD1 4.4Å; D200-L203 PolarHBondContact O-N 2.74Å; D200-N204 WeakPolarHBondContact O-CB 3.41Å; D200-N204 PolarHBondContact O-N 3.39Å
201I83.5Confident82Confident130 Ų13086.2 Ų86.267%0.66746%0.46SS*.Hα-helixtrans-62.2-38-177.3-56.1168.2000110.5N204 K205I201-N204 PolarHBondContact O-N 2.81Å; I201-K205 PolarHBondContact O-N 2.91Å
202V86.1Confident82.6Confident104 Ų10486.1 Ų86.163%0.6345%0.453SS*.Hα-helixtrans-70.7-44.7-178-176.80000110.2D200 N204 K205 A206D200-V202 VanDerWaalsContact C-N 3.28Å; D200-V202 PolarHBondContact O-N 3.45Å; D200-V202 PolarHBondContact OD1-N 2.96Å; V202-N204 VanDerWaalsContact C-N 3.34Å; V202-N204 PolarHBondContact O-N 3.4Å; V202-K205 PolarHBondContact O-N 3.11Å; V202-A206 PolarHBondContact O-N 3.18Å
203L85.6Confident83.3Confident91 Ų9189.2 Ų89.248%0.47647%0.468SS..Hα-helixtrans-62.8-40.6174.4-100.484000111.8T198 D200 K205 A206 G207T198-L203 HydrophobicContact CG2-CD2 3.86Å; D200-L203 HydrophobicContact CB-CB 4.2Å; D200-L203 HydrophobicContact CB-CD1 4.4Å; D200-L203 PolarHBondContact O-N 2.74Å; L203-K205 VanDerWaalsContact C-N 3.34Å; L203-K205 PolarHBondContact O-N 3.38Å; L203-A206 PolarHBondContact O-N 3.48Å; L203-G207 PolarHBondContact O-N 2.92Å
204N84.2Confident83.9Confident27 Ų2785.8 Ų85.814%0.14445%0.452CS..Hα-helixtrans-62.1-42.7176.7-79.3-13.1000111.3L194 D197 T198 D200 I201 V202 G207 R208L194-N204 HydrophobicContact CD2-CB 3.88Å; L194-N204 WeakPolarHBondContact CD2-O 3.29Å; L194-N204 WeakPolarHBondContact CD2-OD1 3.36Å; D197-N204 PolarHBondContact OD1-ND2 3.47Å; T198-N204 PolarHBondContact N-OD1 3.21Å; T198-N204 PolarHBondContact OG1-OD1 3.05Å; D200-N204 WeakPolarHBondContact O-CB 3.41Å; D200-N204 PolarHBondContact O-N 3.39Å; I201-N204 PolarHBondContact O-N 2.81Å; V202-N204 VanDerWaalsContact C-N 3.34Å; V202-N204 PolarHBondContact O-N 3.4Å; N204-G207 PolarHBondContact O-N 2.9Å; N204-R208 WeakPolarHBondContact O-CG 3.44Å; N204-R208 PolarHBondContact O-N 2.76Å
205K85.2Confident84.6Confident97 Ų9788.6 Ų88.642%0.42247%0.47SS..Hα-helixtrans-62.2-46.1173.9-81.7-173.1176.2-176.10112.4I201 V202 L203 G207 R208 I209I201-K205 PolarHBondContact O-N 2.91Å; V202-K205 PolarHBondContact O-N 3.11Å; L203-K205 VanDerWaalsContact C-N 3.34Å; L203-K205 PolarHBondContact O-N 3.38Å; K205-G207 VanDerWaalsContact C-N 3.31Å; K205-G207 PolarHBondContact O-N 2.78Å; K205-R208 PolarHBondContact O-N 3.03Å; K205-R208 VanDerWaalsContact O-N 3.15Å; K205-I209 WeakPolarHBondContact O-CG1 3.42Å; K205-I209 PolarHBondContact O-N 2.81Å
206A87Confident84.9Confident46 Ų4691 Ų9138%0.3846%0.455SS..Hα-helixtrans-60.3-42.8176.700000111.6V202 L203 R208 I209 L210V202-A206 PolarHBondContact O-N 3.18Å; L203-A206 PolarHBondContact O-N 3.48Å; A206-R208 VanDerWaalsContact C-N 3.32Å; A206-R208 PolarHBondContact O-N 3.2Å; A206-I209 PolarHBondContact O-N 2.79Å; A206-L210 PolarHBondContact O-N 2.63Å
207G86.2Confident85.3Confident13 Ų1390.9 Ų90.913%0.13446%0.456CS..Hα-helixtrans-60.1-39.9174.400000112.4L194 L203 N204 K205 L210 R211L194-G207 WeakPolarHBondContact CD1-O 3.44Å; L203-G207 PolarHBondContact O-N 2.92Å; N204-G207 PolarHBondContact O-N 2.9Å; K205-G207 VanDerWaalsContact C-N 3.31Å; K205-G207 PolarHBondContact O-N 2.78Å; G207-L210 PolarHBondContact O-N 2.72Å; G207-R211 WeakPolarHBondContact O-CB 3.42Å; G207-R211 PolarHBondContact O-N 2.89Å
208R86.8Confident85.7Confident51 Ų5189.4 Ų89.419%0.19245%0.448CS..Hα-helixtrans-65.6-41.5177.6-74.1-171.4-179.9137.7-13.5111.4L189 D190 V192 L194 N204 K205 A206 R211 L212L189-R208 WeakPolarHBondContact O-CD 3.48Å; D190-R208 PolarHBondContact O-NH2 2.79Å; D190-R208 IonicContact OD1-CZ 3.54Å; D190-R208 IonicContact OD1-NH1 3.97Å; D190-R208 PolarHBondContact OD1-NH1 3.42Å; V192-R208 WeakPolarHBondContact O-CD 3.08Å; V192-R208 PolarHBondContact O-NE 2.93Å; L194-R208 HydrophobicContact CB-CG 4.14Å; L194-R208 HydrophobicContact CD1-CB 4.27Å; L194-R208 HydrophobicContact CD1-CG 3.71Å; L194-R208 HydrophobicContact CD2-CG 4.43Å; L194-R208 HydrophobicContact CG-CG 4.33Å; N204-R208 WeakPolarHBondContact O-CG 3.44Å; N204-R208 PolarHBondContact O-N 2.76Å; K205-R208 PolarHBondContact O-N 3.03Å; K205-R208 VanDerWaalsContact O-N 3.15Å; A206-R208 VanDerWaalsContact C-N 3.32Å; A206-R208 PolarHBondContact O-N 3.2Å; R208-R211 PolarHBondContact O-N 3.33Å; R208-L212 WeakPolarHBondContact O-CG 3.43Å; R208-L212 PolarHBondContact O-N 3.25Å
209I87.6Confident86.3Confident82 Ų8294.7 Ų94.742%0.42146%0.461SS..Hα-helixtrans-61.8-45.8174.2-65.4167.1000110.4L189 K205 A206 R211 L212 L213L189-I209 HydrophobicContact CD2-CG1 3.92Å; K205-I209 WeakPolarHBondContact O-CG1 3.42Å; K205-I209 PolarHBondContact O-N 2.81Å; A206-I209 PolarHBondContact O-N 2.79Å; I209-R211 VanDerWaalsContact C-N 3.31Å; I209-R211 PolarHBondContact O-N 2.99Å; I209-L212 PolarHBondContact O-N 2.92Å; I209-L213 HydrophobicContact CG2-CD1 3.98Å; I209-L213 PolarHBondContact O-N 3.21Å
210L88Confident86.6Confident122 Ų12290.4 Ų90.464%0.63944%0.444SS*.Hα-helixtrans-59.3-41.6175.7-111.2117.4000112A206 G207 L213 H214A206-L210 PolarHBondContact O-N 2.63Å; G207-L210 PolarHBondContact O-N 2.72Å; L210-L213 WeakPolarHBondContact O-CB 3.48Å; L210-L213 PolarHBondContact O-N 3.34Å; L210-H214 WeakPolarHBondContact O-CB 3.19Å; L210-H214 PolarHBondContact O-N 2.79Å
211R86.6Confident86.8Confident119 Ų11991 Ų9145%0.44945%0.447SS..Hα-helixtrans-65.3-40.2177.3-169.7160.6-178.2141.43111.9H193 L194 G207 R208 I209 H214 V215H193-R211 PolarHBondContact O-NE 2.85Å; L194-R211 PolarHBondContact O-NH1 3.4Å; G207-R211 WeakPolarHBondContact O-CB 3.42Å; G207-R211 PolarHBondContact O-N 2.89Å; R208-R211 PolarHBondContact O-N 3.33Å; I209-R211 VanDerWaalsContact C-N 3.31Å; I209-R211 PolarHBondContact O-N 2.99Å; R211-H214 PolarHBondContact O-N 3Å; R211-V215 VanDerWaalsContact O-CG2 3.31Å; R211-V215 WeakPolarHBondContact O-CG2 3.42Å; R211-V215 PolarHBondContact O-N 3.09Å
212L87.5Confident86.9Confident73 Ų7390.3 Ų90.338%0.38244%0.441SS..Hα-helixtrans-63.7-42.4173.8-75.1168.2000112.2L189 V192 R208 I209 V215 R216L189-L212 HydrophobicContact CD2-CD1 3.69Å; V192-L212 HydrophobicContact CG1-CD2 4.44Å; V192-L212 HydrophobicContact CG1-CG 4.41Å; V192-L212 HydrophobicContact CG2-CD1 4.29Å; V192-L212 HydrophobicContact CG2-CD2 4.21Å; V192-L212 HydrophobicContact CG2-CG 4.42Å; R208-L212 WeakPolarHBondContact O-CG 3.43Å; R208-L212 PolarHBondContact O-N 3.25Å; I209-L212 PolarHBondContact O-N 2.92Å; L212-V215 PolarHBondContact O-N 2.94Å; L212-R216 PolarHBondContact O-N 3.33Å
213L88.3Confident86.9Confident92 Ų9290 Ų9048%0.48244%0.439SS..Hα-helixtrans-59.9-46.1173.4-89.4153.6000111.3I209 L210 V215 R216 E217I209-L213 HydrophobicContact CG2-CD1 3.98Å; I209-L213 PolarHBondContact O-N 3.21Å; L210-L213 WeakPolarHBondContact O-CB 3.48Å; L210-L213 PolarHBondContact O-N 3.34Å; L213-V215 PolarHBondContact O-N 3.48Å; L213-R216 WeakPolarHBondContact O-CB 3.37Å; L213-R216 PolarHBondContact O-N 3.26Å; L213-R216 VanDerWaalsContact O-N 3.15Å; L213-E217 PolarHBondContact O-N 2.87Å
214H89.3Confident86.9Confident98 Ų9891.8 Ų91.845%0.45445%0.445SS..Hα-helixtrans-63.3-41.9178.2-173.658.4000112.3L210 R211 R216 E217 L218L210-H214 WeakPolarHBondContact O-CB 3.19Å; L210-H214 PolarHBondContact O-N 2.79Å; R211-H214 PolarHBondContact O-N 3Å; H214-R216 VanDerWaalsContact C-N 3.29Å; H214-R216 PolarHBondContact O-N 3.1Å; H214-E217 IonicContact ND1-OE2 3.04Å; H214-E217 PolarHBondContact O-N 3.32Å; H214-L218 WeakPolarHBondContact O-CG 3.43Å; H214-L218 PolarHBondContact O-N 2.64Å
215V88.6Confident87Confident70 Ų7094.7 Ų94.742%0.42446%0.46SS..Hα-helixtrans-62.1-38.4174.2169.90000111.3R211 L212 L213 L218 R219R211-V215 VanDerWaalsContact O-CG2 3.31Å; R211-V215 WeakPolarHBondContact O-CG2 3.42Å; R211-V215 PolarHBondContact O-N 3.09Å; L212-V215 PolarHBondContact O-N 2.94Å; L213-V215 PolarHBondContact O-N 3.48Å; V215-L218 PolarHBondContact O-N 2.78Å; V215-R219 WeakPolarHBondContact O-CB 3.49Å; V215-R219 PolarHBondContact O-N 3.34Å
216R87.1Confident87Confident126 Ų12694.2 Ų94.248%0.47546%0.462SS..Hα-helixtrans-61.7-46.5173.7174.7-178.5169.2166.9-4.6111.1E167 L212 L213 H214 R219 Q220E167-R216 IonicContact OE1-NH2 2.81Å; L212-R216 PolarHBondContact O-N 3.33Å; L213-R216 WeakPolarHBondContact O-CB 3.37Å; L213-R216 PolarHBondContact O-N 3.26Å; L213-R216 VanDerWaalsContact O-N 3.15Å; H214-R216 VanDerWaalsContact C-N 3.29Å; H214-R216 PolarHBondContact O-N 3.1Å; R216-R219 PolarHBondContact O-N 2.99Å; R216-Q220 PolarHBondContact O-N 2.59Å
217E85.1Confident86.9Confident117 Ų11794 Ų9455%0.54746%0.464SS..Hα-helixtrans-60.4-45.1177.1-74.1177.9167.100111.9L213 H214 R219 Q220 L221L213-E217 PolarHBondContact O-N 2.87Å; H214-E217 IonicContact ND1-OE2 3.04Å; H214-E217 PolarHBondContact O-N 3.32Å; E217-R219 VanDerWaalsContact C-N 3.29Å; E217-R219 PolarHBondContact O-N 2.91Å; E217-Q220 WeakPolarHBondContact O-CB 3.31Å; E217-Q220 PolarHBondContact O-N 3.42Å; E217-Q220 VanDerWaalsContact O-N 3.1Å; E217-L221 PolarHBondContact O-N 2.79Å
218L89.3Confident86.8Confident87 Ų8795.7 Ų95.746%0.45548%0.477SS..Hα-helixtrans-59.1-40.6176.1-73.3175.3000112.1H214 V215 Q220 L221 Q222H214-L218 WeakPolarHBondContact O-CG 3.43Å; H214-L218 PolarHBondContact O-N 2.64Å; V215-L218 PolarHBondContact O-N 2.78Å; L218-Q220 VanDerWaalsContact C-N 3.31Å; L218-Q220 PolarHBondContact O-N 3.23Å; L218-L221 PolarHBondContact O-N 2.86Å; L218-Q222 WeakPolarHBondContact O-CB 3.5Å; L218-Q222 PolarHBondContact O-N 3.14Å
219R89.1Confident86.7Confident174 Ų17497.1 Ų97.166%0.65749%0.487SS*.Hα-helixtrans-66.2-36.4177-153.2-179.7-121.4148.6-2.9111.6V215 R216 E217 T223V215-R219 WeakPolarHBondContact O-CB 3.49Å; V215-R219 PolarHBondContact O-N 3.34Å; R216-R219 PolarHBondContact O-N 2.99Å; E217-R219 VanDerWaalsContact C-N 3.29Å; E217-R219 PolarHBondContact O-N 2.91Å; R219-T223 PolarHBondContact O-N 2.85Å; R219-T223 PolarHBondContact O-OG1 3.1Å
220Q84.3Confident86.6Confident105 Ų10597.7 Ų97.749%0.49149%0.494SS..Hα-helixtrans-69.9-41.6176.8-150.8168.4200111.2R216 E217 L218 T223 Q224R216-Q220 PolarHBondContact O-N 2.59Å; E217-Q220 WeakPolarHBondContact O-CB 3.31Å; E217-Q220 PolarHBondContact O-N 3.42Å; E217-Q220 VanDerWaalsContact O-N 3.1Å; L218-Q220 VanDerWaalsContact C-N 3.31Å; L218-Q220 PolarHBondContact O-N 3.23Å; Q220-T223 WeakPolarHBondContact O-CB 3.48Å; Q220-T223 PolarHBondContact O-N 3.46Å; Q220-Q224 PolarHBondContact O-N 3.08Å
221L88.3Confident86.3Confident88 Ų8894.8 Ų94.846%0.46149%0.487SS..Hα-helixtrans-60.8-44.9172.6-177.167.2000111.3E217 L218 T223 Q224 I225E217-L221 PolarHBondContact O-N 2.79Å; L218-L221 PolarHBondContact O-N 2.86Å; L221-T223 VanDerWaalsContact C-N 3.28Å; L221-T223 PolarHBondContact O-N 3.07Å; L221-Q224 WeakPolarHBondContact O-CB 3.44Å; L221-Q224 PolarHBondContact O-N 2.98Å; L221-Q224 VanDerWaalsContact O-N 3.17Å; L221-I225 HydrophobicContact CG-CD1 4.05Å; L221-I225 WeakPolarHBondContact O-CG1 3.49Å; L221-I225 PolarHBondContact O-N 3.38Å
222Q85Confident86.2Confident115 Ų11594.1 Ų94.154%0.53749%0.492SS..Hα-helixtrans-58.8-41.5174.8-172.7-174.34.800111.6L218 Q224 I225 N226L218-Q222 WeakPolarHBondContact O-CB 3.5Å; L218-Q222 PolarHBondContact O-N 3.14Å; Q222-Q224 VanDerWaalsContact C-N 3.34Å; Q222-Q224 PolarHBondContact O-N 3.43Å; Q222-I225 PolarHBondContact O-N 3.17Å; Q222-N226 WeakPolarHBondContact O-CB 3.4Å; Q222-N226 PolarHBondContact O-N 2.89Å
223T86.4Confident85.7Confident96 Ų9696 Ų9659%0.58950%0.499SS*.Hα-helixtrans-63.1-41.8176.9-53.70000111.2R219 Q220 L221 N226 G227R219-T223 PolarHBondContact O-N 2.85Å; R219-T223 PolarHBondContact O-OG1 3.1Å; Q220-T223 WeakPolarHBondContact O-CB 3.48Å; Q220-T223 PolarHBondContact O-N 3.46Å; L221-T223 VanDerWaalsContact C-N 3.28Å; L221-T223 PolarHBondContact O-N 3.07Å; T223-N226 PolarHBondContact O-N 2.96Å; T223-G227 PolarHBondContact O-N 3.28Å
224Q85.3Confident85.2Confident129 Ų12994.4 Ų94.460%0.60350%0.504SS*.Hα-helixtrans-65.1-42.3175.2-73.2178.3-7.400112.4Q220 L221 Q222 G227 A228Q220-Q224 PolarHBondContact O-N 3.08Å; L221-Q224 WeakPolarHBondContact O-CB 3.44Å; L221-Q224 PolarHBondContact O-N 2.98Å; L221-Q224 VanDerWaalsContact O-N 3.17Å; Q222-Q224 VanDerWaalsContact C-N 3.34Å; Q222-Q224 PolarHBondContact O-N 3.43Å; Q224-G227 PolarHBondContact O-N 3.5Å; Q224-A228 WeakPolarHBondContact O-CB 3.42Å; Q224-A228 PolarHBondContact O-N 3.49Å
225I86.3Confident84.6Confident89 Ų8995.6 Ų95.646%0.45652%0.518SS..Hα-helixtrans-61.2-47.6175.7-70.2168.5000110.1L221 Q222 G227 A228 I229L221-I225 HydrophobicContact CG-CD1 4.05Å; L221-I225 WeakPolarHBondContact O-CG1 3.49Å; L221-I225 PolarHBondContact O-N 3.38Å; Q222-I225 PolarHBondContact O-N 3.17Å; I225-G227 VanDerWaalsContact C-N 3.31Å; I225-G227 PolarHBondContact O-N 3.35Å; I225-A228 PolarHBondContact O-N 2.89Å; I225-I229 HydrophobicContact CG2-CD1 3.88Å; I225-I229 HydrophobicContact CG2-CG1 4.44Å; I225-I229 WeakPolarHBondContact O-CG1 3.32Å; I225-I229 PolarHBondContact O-N 3.26Å
226N84Confident83.8Confident87 Ų8797.2 Ų97.247%0.46553%0.528SS..Hα-helixtrans-59.5-43.3176.2-74-10.3000111.4Q222 T223 A228 I229 V230Q222-N226 WeakPolarHBondContact O-CB 3.4Å; Q222-N226 PolarHBondContact O-N 2.89Å; T223-N226 PolarHBondContact O-N 2.96Å; N226-A228 PolarHBondContact O-N 3.25Å; N226-I229 PolarHBondContact O-N 3.41Å; N226-V230 WeakPolarHBondContact O-CG2 3.35Å; N226-V230 PolarHBondContact O-N 2.8Å
227G85.3Confident82Confident41 Ų4194.1 Ų94.142%0.42353%0.53SS..Hα-helixtrans-61.7-41.3175.200000113T223 Q224 I225 V230 A231T223-G227 PolarHBondContact O-N 3.28Å; Q224-G227 PolarHBondContact O-N 3.5Å; I225-G227 VanDerWaalsContact C-N 3.31Å; I225-G227 PolarHBondContact O-N 3.35Å; G227-V230 PolarHBondContact O-N 3.14Å; G227-A231 WeakPolarHBondContact O-CB 2.97Å; G227-A231 PolarHBondContact O-N 3.36Å
228A84.5Confident80.4Confident49 Ų4994.1 Ų94.141%0.40553%0.533SS..Hα-helixtrans-65.9-40175.800000112.1Q224 I225 N226 A231 I232Q224-A228 WeakPolarHBondContact O-CB 3.42Å; Q224-A228 PolarHBondContact O-N 3.49Å; I225-A228 PolarHBondContact O-N 2.89Å; N226-A228 PolarHBondContact O-N 3.25Å; A228-A231 PolarHBondContact O-N 3.29Å; A228-I232 VanDerWaalsContact O-CG1 3.3Å; A228-I232 WeakPolarHBondContact O-CG1 3.37Å; A228-I232 PolarHBondContact O-N 3.13Å
229I84.5Confident78.6Confident80 Ų8095 Ų9541%0.4154%0.544SS..Hα-helixtrans-60.6-47.3174.7-69.7167.8000110.1I225 N226 A231 I232 Q233I225-I229 HydrophobicContact CG2-CD1 3.88Å; I225-I229 HydrophobicContact CG2-CG1 4.44Å; I225-I229 WeakPolarHBondContact O-CG1 3.32Å; I225-I229 PolarHBondContact O-N 3.26Å; N226-I229 PolarHBondContact O-N 3.41Å; I229-A231 VanDerWaalsContact C-N 3.32Å; I229-A231 PolarHBondContact O-N 2.91Å; I229-I232 PolarHBondContact O-N 3.44Å; I229-Q233 HydrophobicContact CG2-CG 4.41Å; I229-Q233 WeakPolarHBondContact O-CB 3.46Å; I229-Q233 VanDerWaalsContact O-CG 3.3Å; I229-Q233 WeakPolarHBondContact O-CG 3.5Å; I229-Q233 PolarHBondContact O-N 2.91Å
230V84.9Confident76.7Confident95 Ų9594.9 Ų94.958%0.57655%0.549SS*.Hα-helixtrans-61.3-41.7177.1172.40000111.2N226 G227 Q233 G234N226-V230 WeakPolarHBondContact O-CG2 3.35Å; N226-V230 PolarHBondContact O-N 2.8Å; G227-V230 PolarHBondContact O-N 3.14Å; V230-Q233 PolarHBondContact O-N 3.02Å; V230-G234 PolarHBondContact O-N 3.3Å
231A82.1Confident74.9Confident60 Ų6094.3 Ų94.350%0.49655%0.552SS.*Hα-helixtrans-64.1-43176.700000112.2G227 A228 I229 G234 V235G227-A231 WeakPolarHBondContact O-CB 2.97Å; G227-A231 PolarHBondContact O-N 3.36Å; A228-A231 PolarHBondContact O-N 3.29Å; I229-A231 VanDerWaalsContact C-N 3.32Å; I229-A231 PolarHBondContact O-N 2.91Å; A231-G234 PolarHBondContact O-N 2.87Å; A231-V235 WeakPolarHBondContact O-CG2 3.46Å; A231-V235 PolarHBondContact O-N 3.36Å
232I84.7Confident72.5Confident106 Ų10695 Ų9554%0.54456%0.556SS.*Hα-helixtrans-63.2-44.2175.5-70.8166.6000110.1A228 I229 G234 V235 T236A228-I232 VanDerWaalsContact O-CG1 3.3Å; A228-I232 WeakPolarHBondContact O-CG1 3.37Å; A228-I232 PolarHBondContact O-N 3.13Å; I229-I232 PolarHBondContact O-N 3.44Å; I232-G234 VanDerWaalsContact C-N 3.27Å; I232-G234 PolarHBondContact O-N 3.29Å; I232-V235 PolarHBondContact O-N 2.9Å; I232-T236 PolarHBondContact O-N 3.07Å; I232-T236 PolarHBondContact O-OG1 3.37Å
233Q76.3Confident70.8Confident113 Ų11398.1 Ų98.153%0.52857%0.571SS.*Hα-helixtrans-58.7-39.5174.9-75.2175.5-24.800111.4I229 V230 V235 T236 A237I229-Q233 HydrophobicContact CG2-CG 4.41Å; I229-Q233 WeakPolarHBondContact O-CB 3.46Å; I229-Q233 VanDerWaalsContact O-CG 3.3Å; I229-Q233 WeakPolarHBondContact O-CG 3.5Å; I229-Q233 PolarHBondContact O-N 2.91Å; V230-Q233 PolarHBondContact O-N 3.02Å; Q233-V235 VanDerWaalsContact C-N 3.25Å; Q233-V235 PolarHBondContact O-N 3.3Å; Q233-T236 PolarHBondContact O-N 3.4Å; Q233-A237 WeakPolarHBondContact O-CA 3.41Å; Q233-A237 WeakPolarHBondContact O-CB 3.47Å; Q233-A237 PolarHBondContact O-N 2.56Å
234G79.4Confident69.1Low57 Ų5796.9 Ų96.959%0.58858%0.577SS**Hα-helixtrans-63.4-27.8174.300000114.3V230 A231 I232V230-G234 PolarHBondContact O-N 3.3Å; A231-G234 PolarHBondContact O-N 2.87Å; I232-G234 VanDerWaalsContact C-N 3.27Å; I232-G234 PolarHBondContact O-N 3.29Å
235V76.9Confident67.1Low123 Ų12396.6 Ų96.675%0.74558%0.579SS**Hα-helixtrans-89.7-33.6178.3177.40000112.4A231 I232 Q233A231-V235 WeakPolarHBondContact O-CG2 3.46Å; A231-V235 PolarHBondContact O-N 3.36Å; I232-V235 PolarHBondContact O-N 2.9Å; Q233-V235 VanDerWaalsContact C-N 3.25Å; Q233-V235 PolarHBondContact O-N 3.3Å
236T71.7Confident65.2Low104 Ų10496.1 Ų96.164%0.63860%0.596SS**Hα-helixtrans-93.7-21.1-177.838.40000113.9I232 Q233 D238I232-T236 PolarHBondContact O-N 3.07Å; I232-T236 PolarHBondContact O-OG1 3.37Å; Q233-T236 PolarHBondContact O-N 3.4Å; T236-D238 PolarHBondContact O-N 3.21Å
237A49.5Very low63.1Low62 Ų62101.1 Ų101.151%0.51261%0.614SS.*SBendtrans-69102.6165.400000107.5Q233 P239Q233-A237 WeakPolarHBondContact O-CA 3.41Å; Q233-A237 WeakPolarHBondContact O-CB 3.47Å; Q233-A237 PolarHBondContact O-N 2.56Å; A237-P239 WeakPolarHBondContact O-CD 3.44Å
238D50.6Low61.2Low116 Ų116105.4 Ų105.462%0.6263%0.632SS**  trans-43.8104.7174.5-153.28.3000108.9T236 K240T236-D238 PolarHBondContact O-N 3.21Å; D238-K240 PolarHBondContact O-N 3.41Å; D238-K240 IonicContact OD2-NZ 3.83Å
239P52Low59.4Low105 Ų105106.4 Ų106.468%0.68265%0.647SS**  trans-80.260.5-178.533.9-31.9000108.1A237 T241A237-P239 WeakPolarHBondContact O-CD 3.44Å; P239-T241 PolarHBondContact O-N 2.96Å
240K48.5Very low57.3Low173 Ų173116.3 Ų116.375%0.75269%0.687SS**  trans-81.514165.2-79.8-176.3-179.1163.20112.4D238 D242D238-K240 PolarHBondContact O-N 3.41Å; D238-K240 IonicContact OD2-NZ 3.83Å; K240-D242 PolarHBondContact O-N 3.41Å; K240-D242 VanDerWaalsContact O-N 3.11Å
241T46.7Very low55.9Low92 Ų92117.4 Ų117.456%0.56469%0.693SS**  trans-81.284156-540000107.1P239 Q243P239-T241 PolarHBondContact O-N 2.96Å; T241-Q243 VanDerWaalsContact C-N 3.32Å; T241-Q243 PolarHBondContact O-N 3.12Å
242D38.2Very low54.5Low102 Ų102120.4 Ų120.455%0.54570%0.703SS.*  trans-55.498.8165-162.9-16.7000107.6K240 G244 L245K240-D242 PolarHBondContact O-N 3.41Å; K240-D242 VanDerWaalsContact O-N 3.11Å; D242-G244 PolarHBondContact O-N 2.88Å; D242-G244 PolarHBondContact OD1-N 3.24Å; D242-L245 HydrophobicContact CB-CB 4.33Å; D242-L245 HydrophobicContact CB-CD1 4.24Å; D242-L245 PolarHBondContact O-N 2.93Å
243Q48.7Very low52.8Low182 Ų182121.2 Ų121.285%0.8571%0.712SS**THydrogen-bonded Turntrans-61.1-11.2176.7-71-99.6-2100111.3T241 L245T241-Q243 VanDerWaalsContact C-N 3.32Å; T241-Q243 PolarHBondContact O-N 3.12Å; Q243-L245 VanDerWaalsContact C-N 3.33Å
244G50.8Low51.5Low70 Ų70121.6 Ų121.672%0.72272%0.723SS**THydrogen-bonded Turntrans-73.7-17.1168.600000114.7D242D242-G244 PolarHBondContact O-N 2.88Å; D242-G244 PolarHBondContact OD1-N 3.24Å
245L42.4Very low49.7Very low123 Ų123125.7 Ų125.764%0.64473%0.731SS**SBendtrans-107.3-1.7-169.6-90.6165.8000116.4D242 Q243 K247D242-L245 HydrophobicContact CB-CB 4.33Å; D242-L245 HydrophobicContact CB-CD1 4.24Å; D242-L245 PolarHBondContact O-N 2.93Å; Q243-L245 VanDerWaalsContact C-N 3.33Å; L245-K247 PolarHBondContact O-N 3.21Å
246G47.6Very low47.9Very low79 Ų79125.9 Ų125.981%0.81473%0.73SS**  trans50.821.1163.800000116.8
247K39.3Very low46.2Very low191 Ų191127.4 Ų127.483%0.8374%0.737SS**  trans-137.3103.2179.3-103.9-175.6174.9179.80109.1L245 G249L245-K247 PolarHBondContact O-N 3.21Å; K247-G249 PolarHBondContact O-N 3.34Å
248V46.6Very low46Very low132 Ų132132.5 Ų132.580%0.875%0.754SS**  trans-73.9114153.7-73.40000106.5F250V248-F250 PolarHBondContact O-N 3.01Å
249G47Very low45.6Very low70 Ų70133.8 Ų133.872%0.72277%0.765SS**  trans-78.7113.2178.800000110.6K247K247-G249 PolarHBondContact O-N 3.34Å
250F39Very low45Very low287 Ų287136.5 Ų136.5100%1.25977%0.773SS**  trans42.70162.4-66.4-80.9000119.7V248V248-F250 PolarHBondContact O-N 3.01Å

Retrieved 250 of 250 residues in 249.9 ms (Link to these results)

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