A0A077ZHS8_TRITR Loading...

BAR domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHS8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 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
1M60.2Low78.3Confident204 Ų20493.1 Ų93.1100%1.00549%0.487SS*.  0-46.60-152.5170.2-89.900112.9R3 F4 V5M1-R3 PolarHBondContact O-N 2.6Å; M1-F4 PolarHBondContact O-N 2.8Å; M1-V5 HydrophobicContact CG-CG2 4.49Å; M1-V5 PolarHBondContact O-N 3.08Å
2A73.9Confident78.6Confident87 Ų8794.8 Ų94.872%0.71950%0.496SS*.Hα-helixtrans-53.5-43.9-177.500000115.8V5 G6A2-V5 PolarHBondContact O-N 3.34Å; A2-G6 PolarHBondContact O-N 2.89Å
3R75.8Confident78.7Confident192 Ų19289.5 Ų89.573%0.72547%0.469SS*.Hα-helixtrans-64.4-41.9178.4-70.9-172.5-180173.8-0.9112.9M1 G6 R7M1-R3 PolarHBondContact O-N 2.6Å; R3-G6 PolarHBondContact O-N 3.44Å; R3-R7 WeakPolarHBondContact O-CG 3.27Å; R3-R7 PolarHBondContact O-N 3.2Å
4F74.6Confident79.3Confident137 Ų13786.6 Ų86.660%0.60145%0.449SS*.Hα-helixtrans-62.1-47177.9178.1-98.7000111.7M1 G6 R7 L8M1-F4 PolarHBondContact O-N 2.8Å; F4-G6 VanDerWaalsContact C-N 3.31Å; F4-G6 PolarHBondContact O-N 3.34Å; F4-R7 PolarHBondContact O-N 2.82Å; F4-L8 HydrophobicContact CD1-CD1 3.92Å; F4-L8 HydrophobicContact CE1-CD1 3.37Å; F4-L8 HydrophobicContact CE1-CG 4.14Å; F4-L8 HydrophobicContact CZ-CD1 3.86Å; F4-L8 HydrophobicContact CZ-CG 4.27Å; F4-L8 PolarHBondContact O-N 3.11Å
5V80.6Confident79.3Confident89 Ų8986.7 Ų86.754%0.53947%0.468SS..Hα-helixtrans-61.5-41.2175.21780000110.9M1 A2 R7 L8 G9M1-V5 HydrophobicContact CG-CG2 4.49Å; M1-V5 PolarHBondContact O-N 3.08Å; A2-V5 PolarHBondContact O-N 3.34Å; V5-R7 PolarHBondContact O-N 2.99Å; V5-L8 PolarHBondContact O-N 3.17Å; V5-G9 PolarHBondContact O-N 3.32Å
6G79.8Confident79.4Confident32 Ų3288 Ų8833%0.3347%0.474SS..Hα-helixtrans-57.2-46.7174.600000113A2 R3 F4 G9 T10A2-G6 PolarHBondContact O-N 2.89Å; R3-G6 PolarHBondContact O-N 3.44Å; F4-G6 VanDerWaalsContact C-N 3.31Å; F4-G6 PolarHBondContact O-N 3.34Å; G6-G9 CarbonylContact O-C 3.58Å; G6-G9 WeakPolarHBondContact O-CA 3.42Å; G6-G9 PolarHBondContact O-N 3.48Å; G6-G9 VanDerWaalsContact O-N 3.15Å; G6-T10 PolarHBondContact O-N 3.33Å; G6-T10 PolarHBondContact O-OG1 3.02Å
7R86Confident79.2Confident51 Ų5186.9 Ų86.919%0.19249%0.488CS..Hα-helixtrans-66.4-38.9178.4-70.1175.4-169.91681.7113.1R3 F4 V5 G9 T10 K11 N135 L138 D139R3-R7 WeakPolarHBondContact O-CG 3.27Å; R3-R7 PolarHBondContact O-N 3.2Å; F4-R7 PolarHBondContact O-N 2.82Å; V5-R7 PolarHBondContact O-N 2.99Å; R7-G9 VanDerWaalsContact C-N 3.28Å; R7-T10 PolarHBondContact O-N 3.41Å; R7-K11 WeakPolarHBondContact O-CG 3.28Å; R7-K11 PolarHBondContact O-N 3.09Å; R7-N135 PolarHBondContact NH1-OD1 3.24Å; R7-L138 HydrophobicContact CB-CB 4.32Å; R7-L138 HydrophobicContact CB-CD1 4.19Å; R7-L138 HydrophobicContact CG-CB 3.97Å; R7-L138 HydrophobicContact CG-CD1 4.41Å; R7-D139 WeakPolarHBondContact CG-OD1 3.43Å; R7-D139 IonicContact CZ-OD1 2.86Å; R7-D139 IonicContact CZ-OD2 3.35Å; R7-D139 IonicContact NE-OD1 2.54Å; R7-D139 PolarHBondContact NE-OD1 2.82Å; R7-D139 IonicContact NE-OD2 2.7Å; R7-D139 PolarHBondContact NE-OD2 2.93Å; R7-D139 IonicContact NH2-OD1 3Å; R7-D139 IonicContact NH2-OD2 3.86Å; R7-D139 PolarHBondContact NH2-OD2 2.98Å
8L84Confident79Confident80 Ų8091.3 Ų91.342%0.41950%0.495SS..Hα-helixtrans-60.2-42.3170.6-74.8175.2000110.9F4 V5 T10 K11 L12F4-L8 HydrophobicContact CD1-CD1 3.92Å; F4-L8 HydrophobicContact CE1-CD1 3.37Å; F4-L8 HydrophobicContact CE1-CG 4.14Å; F4-L8 HydrophobicContact CZ-CD1 3.86Å; F4-L8 HydrophobicContact CZ-CG 4.27Å; F4-L8 PolarHBondContact O-N 3.11Å; V5-L8 PolarHBondContact O-N 3.17Å; L8-T10 PolarHBondContact O-N 3.49Å; L8-K11 PolarHBondContact O-N 3.45Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.34Å
9G81.4Confident78.7Confident26 Ų2687.3 Ų87.327%0.26848%0.476SS..Hα-helixtrans-58-43.3172.500000112.8V5 G6 R7 L12 N13V5-G9 PolarHBondContact O-N 3.32Å; G6-G9 CarbonylContact O-C 3.58Å; G6-G9 WeakPolarHBondContact O-CA 3.42Å; G6-G9 PolarHBondContact O-N 3.48Å; G6-G9 VanDerWaalsContact O-N 3.15Å; R7-G9 VanDerWaalsContact C-N 3.28Å; G9-L12 PolarHBondContact O-N 3.02Å; G9-N13 WeakPolarHBondContact O-CB 3.42Å; G9-N13 VanDerWaalsContact O-CG 3.3Å; G9-N13 PolarHBondContact O-N 3.47Å; G9-N13 PolarHBondContact O-ND2 2.81Å
10T81.7Confident78.7Confident6 Ų692.1 Ų92.14%0.03750%0.495CS..Hα-helixtrans-62.7-45.5174.4-52.60000111.6G6 R7 L8 L12 N13 Y14 L138 D141 G142G6-T10 PolarHBondContact O-N 3.33Å; G6-T10 PolarHBondContact O-OG1 3.02Å; R7-T10 PolarHBondContact O-N 3.41Å; L8-T10 PolarHBondContact O-N 3.49Å; T10-L12 VanDerWaalsContact C-N 3.34Å; T10-L12 PolarHBondContact O-N 3.03Å; T10-N13 CarbonylContact O-C 3.58Å; T10-N13 WeakPolarHBondContact O-CA 3.45Å; T10-N13 WeakPolarHBondContact O-CB 3.12Å; T10-N13 PolarHBondContact O-N 3.34Å; T10-Y14 HydrophobicContact CG2-CD1 4.47Å; T10-Y14 HydrophobicContact CG2-CE1 3.84Å; T10-Y14 HydrophobicContact CG2-CE2 4.16Å; T10-Y14 PolarHBondContact O-N 2.92Å; T10-L138 HydrophobicContact CG2-CD2 4.04Å; T10-L138 WeakPolarHBondContact CG2-O 3.24Å; T10-L138 PolarHBondContact OG1-O 3.15Å; T10-D141 HydrophobicContact CG2-CB 4.07Å; T10-G142 WeakPolarHBondContact OG1-CA 3.47Å
11K83.1Confident79Confident120 Ų12094.7 Ų94.752%0.52250%0.502SS..Hα-helixtrans-59.4-42.5176.9-71.4-176.8179.2-175.60112.6R7 L8 N13 Y14 A15 L138R7-K11 WeakPolarHBondContact O-CG 3.28Å; R7-K11 PolarHBondContact O-N 3.09Å; L8-K11 PolarHBondContact O-N 3.45Å; K11-N13 VanDerWaalsContact C-N 3.34Å; K11-Y14 WeakPolarHBondContact O-CB 3.25Å; K11-Y14 PolarHBondContact O-N 3.08Å; K11-A15 PolarHBondContact O-N 3.28Å; K11-L138 HydrophobicContact CG-CD1 4.37Å; K11-L138 HydrophobicContact CG-CD2 3.73Å
12L82.7Confident80.2Confident113 Ų11386.3 Ų86.359%0.59246%0.462SS*.Hα-helixtrans-63.2-40.8173.3-73.2168.9000111.3L8 G9 T10 Y14 A15 L16L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.34Å; G9-L12 PolarHBondContact O-N 3.02Å; T10-L12 VanDerWaalsContact C-N 3.34Å; T10-L12 PolarHBondContact O-N 3.03Å; L12-Y14 VanDerWaalsContact C-N 3.32Å; L12-Y14 PolarHBondContact O-N 3.46Å; L12-A15 PolarHBondContact O-N 3.25Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.44Å; L12-L16 PolarHBondContact O-N 3.24Å
13N79.8Confident80.9Confident27 Ų2789.1 Ų89.114%0.14446%0.46CS..Hα-helixtrans-63.8-35176.1-75-53.5000112.5G9 T10 K11 L16 G17 R18 A19 R149G9-N13 WeakPolarHBondContact O-CB 3.42Å; G9-N13 VanDerWaalsContact O-CG 3.3Å; G9-N13 PolarHBondContact O-N 3.47Å; G9-N13 PolarHBondContact O-ND2 2.81Å; T10-N13 CarbonylContact O-C 3.58Å; T10-N13 WeakPolarHBondContact O-CA 3.45Å; T10-N13 WeakPolarHBondContact O-CB 3.12Å; T10-N13 PolarHBondContact O-N 3.34Å; K11-N13 VanDerWaalsContact C-N 3.34Å; N13-L16 PolarHBondContact O-N 3.48Å; N13-G17 PolarHBondContact O-N 3.35Å; N13-R18 HydrophobicContact CB-CB 4.14Å; N13-R18 PolarHBondContact O-N 3.11Å; N13-A19 HydrophobicContact CB-CB 3.67Å; N13-A19 PolarHBondContact O-N 3.27Å; N13-R149 PolarHBondContact ND2-NH2 3.47Å; N13-R149 PolarHBondContact OD1-NH1 3.49Å
14Y86.4Confident81.5Confident48 Ų4882 Ų8219%0.18843%0.434CS..Hα-helixtrans-60.8-49.8170.8-61.9-32000111.4T10 K11 L12 L16 G17 A19 E20 K21 L138 D141T10-Y14 HydrophobicContact CG2-CD1 4.47Å; T10-Y14 HydrophobicContact CG2-CE1 3.84Å; T10-Y14 HydrophobicContact CG2-CE2 4.16Å; T10-Y14 PolarHBondContact O-N 2.92Å; K11-Y14 WeakPolarHBondContact O-CB 3.25Å; K11-Y14 PolarHBondContact O-N 3.08Å; L12-Y14 VanDerWaalsContact C-N 3.32Å; L12-Y14 PolarHBondContact O-N 3.46Å; Y14-L16 PolarHBondContact O-N 3.48Å; Y14-G17 PolarHBondContact O-N 2.87Å; Y14-A19 HydrophobicContact CD1-CB 3.89Å; Y14-A19 WeakPolarHBondContact CD1-O 3.34Å; Y14-A19 HydrophobicContact CE1-CB 4.12Å; Y14-E20 WeakPolarHBondContact CE1-O 3.35Å; Y14-K21 HydrophobicContact CD1-CB 4.06Å; Y14-K21 HydrophobicContact CE1-CB 3.82Å; Y14-K21 HydrophobicContact CE1-CG 4.31Å; Y14-K21 HydrophobicContact CE2-CB 4.42Å; Y14-K21 HydrophobicContact CE2-CG 4.16Å; Y14-K21 HydrophobicContact CG-CB 4.48Å; Y14-L138 HydrophobicContact CD2-CD2 4.4Å; Y14-L138 HydrophobicContact CE2-CD2 3.46Å; Y14-L138 VanDerWaalsContact CE2-CD2 3.46Å; Y14-D141 HydrophobicContact CE1-CB 3.99Å; Y14-D141 WeakPolarHBondContact OH-CB 3.46Å; Y14-D141 PolarHBondContact OH-OD2 2.9Å
15A79.5Confident82.4Confident89 Ų8978.6 Ų78.674%0.73642%0.422SS*.Hα-helixtrans-62.1-29.1-179.100000112.9K11 L12K11-A15 PolarHBondContact O-N 3.28Å; L12-A15 PolarHBondContact O-N 3.25Å
16L81Confident83Confident107 Ų10780.2 Ų80.256%0.5642%0.423SS*.THydrogen-bonded Turntrans-89.91.3177.5-64.5174.1000113.8L12 N13 Y14 R18L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.44Å; L12-L16 PolarHBondContact O-N 3.24Å; N13-L16 PolarHBondContact O-N 3.48Å; Y14-L16 PolarHBondContact O-N 3.48Å; L16-R18 HydrophobicContact CB-CG 3.99Å; L16-R18 PolarHBondContact O-N 2.89Å
17G75.9Confident83.6Confident69 Ų6981.9 Ų81.971%0.71143%0.434SS*.THydrogen-bonded Turntrans65.918.9-17500000114.4N13 Y14N13-G17 PolarHBondContact O-N 3.35Å; Y14-G17 PolarHBondContact O-N 2.87Å
18R75.8Confident84Confident167 Ų16779.6 Ų79.663%0.6343%0.426SS*.SBendtrans-96.9-2.4-176.7-66.3-177.7178.6-178.7-1.3114N13 L16 R149N13-R18 HydrophobicContact CB-CB 4.14Å; N13-R18 PolarHBondContact O-N 3.11Å; L16-R18 HydrophobicContact CB-CG 3.99Å; L16-R18 PolarHBondContact O-N 2.89Å; R18-R149 PolarHBondContact O-NH1 3.28Å
19A73.6Confident84.5Confident15 Ų1579 Ų7912%0.12442%0.42CS..SBendtrans-144.6138.4171.700000108.4N13 Y14 A145N13-A19 HydrophobicContact CB-CB 3.67Å; N13-A19 PolarHBondContact O-N 3.27Å; Y14-A19 HydrophobicContact CD1-CB 3.89Å; Y14-A19 WeakPolarHBondContact CD1-O 3.34Å; Y14-A19 HydrophobicContact CE1-CB 4.12Å; A19-A145 HydrophobicContact CB-CB 4.03Å
20E78Confident85.2Confident182 Ų18281 Ų8185%0.8543%0.427SS*.PPolyproline II helixtrans-80.2136.9170-68.5-179.6174.400109.2Y14Y14-E20 WeakPolarHBondContact CE1-O 3.35Å
21K84.6Confident85.8Confident148 Ų14881.5 Ų81.564%0.64343%0.432SS*.PPolyproline II helixtrans-86.1121.2175-176.9-177.6176.8-169.90108.1Y14 E23 D141Y14-K21 HydrophobicContact CD1-CB 4.06Å; Y14-K21 HydrophobicContact CE1-CB 3.82Å; Y14-K21 HydrophobicContact CE1-CG 4.31Å; Y14-K21 HydrophobicContact CE2-CB 4.42Å; Y14-K21 HydrophobicContact CE2-CG 4.16Å; Y14-K21 HydrophobicContact CG-CB 4.48Å; K21-E23 PolarHBondContact O-N 3.24Å; K21-D141 WeakPolarHBondContact CA-OD2 3.39Å
22T86.5Confident86.4Confident28 Ų2876.5 Ų76.517%0.17241%0.411CS..PPolyproline II helixtrans-62.3121.6171.1-66.80000109.3M140 D141 R144 F172T22-M140 HydrophobicContact CG2-CE 3.82Å; T22-M140 WeakPolarHBondContact OG1-CE 3.37Å; T22-D141 WeakPolarHBondContact CB-OD1 3.36Å; T22-D141 PolarHBondContact N-OD2 3.13Å; T22-D141 PolarHBondContact OG1-OD1 3.44Å; T22-R144 PolarHBondContact OG1-NH1 2.69Å; T22-F172 HydrophobicContact CG2-CZ 4.2Å
23E87.7Confident87.1Confident146 Ų14677.3 Ų77.368%0.68241%0.409SS*.PPolyproline II helixtrans-84.3142.2168.4-65.1-157.1-17800110.6K21 K29K21-E23 PolarHBondContact O-N 3.24Å; E23-K29 IonicContact OE2-NZ 2.86Å; E23-K29 PolarHBondContact OE2-NZ 3.03Å
24Y90Very high87.8Confident42 Ų4280 Ų8017%0.16542%0.423CS..PPolyproline II helixtrans-70.8149167.8-51.4-38.6000109.6T28 K29 M32 L133 F172Y24-T28 HydrophobicContact CG-CG2 4.32Å; Y24-K29 WeakPolarHBondContact O-CE 3.45Å; Y24-K29 PolarHBondContact O-NZ 3.49Å; Y24-M32 HydrophobicContact CD2-SD 4.1Å; Y24-M32 HydrophobicContact CE2-CE 4.4Å; Y24-M32 HydrophobicContact CE2-SD 4.21Å; Y24-L133 HydrophobicContact CD1-CD2 4.45Å; Y24-L133 HydrophobicContact CE1-CD1 4.4Å; Y24-L133 HydrophobicContact CE1-CD2 3.85Å; Y24-L133 HydrophobicContact CE1-CG 3.95Å; Y24-L133 HydrophobicContact CE2-CD2 4.32Å; Y24-F172 HydrophobicContact CD1-CE2 4.38Å; Y24-F172 HydrophobicContact CD1-CZ 4.37Å; Y24-F172 HydrophobicContact CE1-CE2 4.04Å; Y24-F172 HydrophobicContact CE1-CZ 4.48Å
25D92.1Very high88.2Confident66 Ų6677.7 Ų77.735%0.35342%0.415SS..PPolyproline II helixtrans-62.4158.8170.257.579.4000111.6A27 T28 K29 K176D25-A27 PolarHBondContact O-N 2.75Å; D25-A27 WeakPolarHBondContact OD1-CB 3.4Å; D25-A27 PolarHBondContact OD1-N 3.4Å; D25-T28 VanDerWaalsContact CG-OG1 3.26Å; D25-T28 PolarHBondContact O-N 2.91Å; D25-T28 WeakPolarHBondContact OD1-CB 3.44Å; D25-T28 PolarHBondContact OD1-N 2.99Å; D25-T28 PolarHBondContact OD1-OG1 3.4Å; D25-T28 PolarHBondContact OD2-OG1 2.78Å; D25-K29 PolarHBondContact O-N 3.25Å; D25-K176 WeakPolarHBondContact OD2-CE 3.42Å; D25-K176 IonicContact OD2-NZ 2.89Å; D25-K176 PolarHBondContact OD2-NZ 3.26Å
26E93Very high89Confident122 Ų12276.4 Ų76.457%0.5739%0.393SS*.Hα-helixtrans-62.4-29.2-176.4-67.9-54.1127.300113.4K29 T30E26-K29 WeakPolarHBondContact OE1-CD 3.42Å; E26-K29 IonicContact OE1-NZ 3.79Å; E26-K29 PolarHBondContact OE1-NZ 2.89Å; E26-T30 WeakPolarHBondContact O-CB 3.4Å; E26-T30 PolarHBondContact O-N 3.49Å; E26-T30 PolarHBondContact O-OG1 3.01Å
27A93.7Very high89.8Confident68 Ų6874.4 Ų74.456%0.56238%0.383SS*.Hα-helixtrans-66.8-45.7176.300000110.7D25 T30 A31D25-A27 PolarHBondContact O-N 2.75Å; D25-A27 WeakPolarHBondContact OD1-CB 3.4Å; D25-A27 PolarHBondContact OD1-N 3.4Å; A27-T30 PolarHBondContact O-N 3.21Å; A27-A31 WeakPolarHBondContact O-CB 3.21Å; A27-A31 PolarHBondContact O-N 3.05Å
28T94.1Very high90.7Very high3 Ų372.4 Ų72.42%0.01836%0.355CS..Hα-helixtrans-63.2-46.9175.8-56.70000111.2Y24 D25 T30 A31 M32 K176 M180Y24-T28 HydrophobicContact CG-CG2 4.32Å; D25-T28 VanDerWaalsContact CG-OG1 3.26Å; D25-T28 PolarHBondContact O-N 2.91Å; D25-T28 WeakPolarHBondContact OD1-CB 3.44Å; D25-T28 PolarHBondContact OD1-N 2.99Å; D25-T28 PolarHBondContact OD1-OG1 3.4Å; D25-T28 PolarHBondContact OD2-OG1 2.78Å; T28-T30 VanDerWaalsContact C-N 3.34Å; T28-T30 PolarHBondContact O-N 3.41Å; T28-A31 PolarHBondContact O-N 3.47Å; T28-M32 HydrophobicContact CG2-SD 4.02Å; T28-M32 WeakPolarHBondContact O-CB 3.44Å; T28-M32 VanDerWaalsContact O-CG 3.27Å; T28-M32 WeakPolarHBondContact O-CG 3.09Å; T28-M32 PolarHBondContact O-N 2.87Å; T28-K176 WeakPolarHBondContact OG1-CE 3.38Å; T28-M180 HydrophobicContact CG2-SD 4.01Å
29K94.8Very high91.7Very high66 Ų6665.5 Ų65.529%0.28733%0.33SS..Hα-helixtrans-58.2-46.7176.8-70.8175.3179.9163.10111.3E23 Y24 D25 E26 K33E23-K29 IonicContact OE2-NZ 2.86Å; E23-K29 PolarHBondContact OE2-NZ 3.03Å; Y24-K29 WeakPolarHBondContact O-CE 3.45Å; Y24-K29 PolarHBondContact O-NZ 3.49Å; D25-K29 PolarHBondContact O-N 3.25Å; E26-K29 WeakPolarHBondContact OE1-CD 3.42Å; E26-K29 IonicContact OE1-NZ 3.79Å; E26-K29 PolarHBondContact OE1-NZ 2.89Å; K29-K33 WeakPolarHBondContact O-CB 3.4Å; K29-K33 PolarHBondContact O-N 3.38Å
30T95Very high92.8Very high69 Ų6969.6 Ų69.642%0.42335%0.346SS..Hα-helixtrans-63.4-46.2179.4-62.40000111.8E26 A27 T28 M32 K33 N34E26-T30 WeakPolarHBondContact O-CB 3.4Å; E26-T30 PolarHBondContact O-N 3.49Å; E26-T30 PolarHBondContact O-OG1 3.01Å; A27-T30 PolarHBondContact O-N 3.21Å; T28-T30 VanDerWaalsContact C-N 3.34Å; T28-T30 PolarHBondContact O-N 3.41Å; T30-M32 PolarHBondContact O-N 3.19Å; T30-K33 PolarHBondContact O-N 2.97Å; T30-N34 WeakPolarHBondContact O-CB 3.43Å; T30-N34 VanDerWaalsContact O-CG 3.23Å; T30-N34 PolarHBondContact O-N 2.88Å; T30-N34 PolarHBondContact O-OD1 3.33Å
31A95.2Very high93.6Very high17 Ų1765.2 Ų65.214%0.1433%0.328CS..Hα-helixtrans-62.9-43.9-179.600000112.1A27 T28 N34 F35 M180 V183A27-A31 WeakPolarHBondContact O-CB 3.21Å; A27-A31 PolarHBondContact O-N 3.05Å; T28-A31 PolarHBondContact O-N 3.47Å; A31-N34 PolarHBondContact O-N 3.43Å; A31-F35 PolarHBondContact O-N 3.02Å; A31-M180 HydrophobicContact CB-CE 3.97Å; A31-M180 HydrophobicContact CB-SD 4.31Å; A31-V183 HydrophobicContact CB-CB 4.27Å; A31-V183 HydrophobicContact CB-CG2 3.65Å
32M96Very high94.2Very high14 Ų1458.3 Ų58.37%0.06930%0.299CS..Hα-helixtrans-60.2-46.5174.1-70.6174.165.700112Y24 T28 T30 N34 F35 E36 Y126 K130 L179Y24-M32 HydrophobicContact CD2-SD 4.1Å; Y24-M32 HydrophobicContact CE2-CE 4.4Å; Y24-M32 HydrophobicContact CE2-SD 4.21Å; T28-M32 HydrophobicContact CG2-SD 4.02Å; T28-M32 WeakPolarHBondContact O-CB 3.44Å; T28-M32 VanDerWaalsContact O-CG 3.27Å; T28-M32 WeakPolarHBondContact O-CG 3.09Å; T28-M32 PolarHBondContact O-N 2.87Å; T30-M32 PolarHBondContact O-N 3.19Å; M32-N34 PolarHBondContact O-N 3.46Å; M32-F35 PolarHBondContact O-N 3.03Å; M32-E36 WeakPolarHBondContact O-CG 3.46Å; M32-E36 PolarHBondContact O-N 3.48Å; M32-Y126 WeakPolarHBondContact CB-OH 3.39Å; M32-Y126 HydrophobicContact CG-CE2 4.41Å; M32-K130 HydrophobicContact CE-CD 3.84Å; M32-K130 HydrophobicContact CE-CG 3.88Å; M32-L179 HydrophobicContact CE-CD2 4.19Å; M32-L179 HydrophobicContact CG-CD2 3.94Å; M32-L179 HydrophobicContact SD-CD2 3.7Å
33K96Very high94.6Very high131 Ų13159.6 Ų59.657%0.5731%0.305SS*.Hα-helixtrans-60.8-44.7178.4-177.2-179.7178.3-177.40111.6K29 T30 F35 E36 N37K29-K33 WeakPolarHBondContact O-CB 3.4Å; K29-K33 PolarHBondContact O-N 3.38Å; T30-K33 PolarHBondContact O-N 2.97Å; K33-F35 VanDerWaalsContact C-N 3.33Å; K33-F35 PolarHBondContact O-N 3.42Å; K33-E36 PolarHBondContact O-N 3.37Å; K33-N37 WeakPolarHBondContact O-CB 3.44Å; K33-N37 VanDerWaalsContact O-CG 3.22Å; K33-N37 PolarHBondContact O-N 3.4Å; K33-N37 PolarHBondContact O-OD1 2.93Å
34N94.9Very high95Very high82 Ų8257.6 Ų57.644%0.43929%0.294SS..Hα-helixtrans-62.4-41.3178.6-70.3-10.6000111.7T30 A31 M32 F38T30-N34 WeakPolarHBondContact O-CB 3.43Å; T30-N34 VanDerWaalsContact O-CG 3.23Å; T30-N34 PolarHBondContact O-N 2.88Å; T30-N34 PolarHBondContact O-OD1 3.33Å; A31-N34 PolarHBondContact O-N 3.43Å; M32-N34 PolarHBondContact O-N 3.46Å; N34-F38 WeakPolarHBondContact O-CB 3.45Å; N34-F38 PolarHBondContact O-N 3.49Å
35F96Very high95.3Very high0 Ų057.9 Ų57.90%030%0.3CS..Hα-helixtrans-65.9-38.8177.5-160.6-91.5000112.4A31 M32 K33 K39 F118 F123 Y126 I182 V183 I186 H189A31-F35 PolarHBondContact O-N 3.02Å; M32-F35 PolarHBondContact O-N 3.03Å; K33-F35 VanDerWaalsContact C-N 3.33Å; K33-F35 PolarHBondContact O-N 3.42Å; F35-K39 PolarHBondContact O-N 3.25Å; F35-F118 HydrophobicContact CE1-CE2 4.2Å; F35-F118 AromaticContact CE1-CZ 3.99Å; F35-F118 HydrophobicContact CE1-CZ 3.99Å; F35-F118 HydrophobicContact CE2-CE2 4.1Å; F35-F118 HydrophobicContact CE2-CZ 4.4Å; F35-F118 AromaticContact CZ-CE2 3.65Å; F35-F118 HydrophobicContact CZ-CE2 3.65Å; F35-F118 AromaticContact CZ-CZ 3.9Å; F35-F118 HydrophobicContact CZ-CZ 3.9Å; F35-F123 HydrophobicContact CD1-CD2 4.06Å; F35-F123 HydrophobicContact CD1-CE2 4.3Å; F35-F123 AromaticContact CE1-CD2 3.83Å; F35-F123 HydrophobicContact CE1-CD2 3.83Å; F35-Y126 AromaticContact CD1-CD1 3.91Å; F35-Y126 HydrophobicContact CD1-CD1 3.91Å; F35-Y126 AromaticContact CD1-CD2 3.76Å; F35-Y126 HydrophobicContact CD1-CD2 3.76Å; F35-Y126 HydrophobicContact CD1-CE1 4.33Å; F35-Y126 HydrophobicContact CD1-CE2 4.2Å; F35-Y126 AromaticContact CD1-CG 3.61Å; F35-Y126 HydrophobicContact CD1-CG 3.61Å; F35-Y126 VanDerWaalsContact CE1-CB 3.47Å; F35-Y126 HydrophobicContact CE1-CD1 4.13Å; F35-Y126 HydrophobicContact CE1-CD2 4.04Å; F35-Y126 AromaticContact CE1-CG 3.61Å; F35-Y126 HydrophobicContact CE1-CG 3.61Å; F35-Y126 HydrophobicContact CG-CD2 4.43Å; F35-I182 HydrophobicContact CE2-CG2 4.47Å; F35-I182 HydrophobicContact CZ-CG2 4.11Å; F35-V183 HydrophobicContact CB-CB 4.27Å; F35-V183 HydrophobicContact CB-CG1 3.93Å; F35-V183 HydrophobicContact CD2-CB 4.23Å; F35-V183 HydrophobicContact CD2-CG1 4.26Å; F35-V183 HydrophobicContact CG-CB 4.41Å; F35-V183 HydrophobicContact CG-CG1 4.03Å; F35-I186 HydrophobicContact CD2-CB 4.34Å; F35-I186 HydrophobicContact CD2-CD1 3.86Å; F35-I186 HydrophobicContact CE2-CD1 4.46Å; F35-H189 AromaticContact CE2-CD2 3.92Å
36E96.2Very high95.5Very high62 Ų6255.2 Ų55.229%0.2929%0.285SS..Hα-helixtrans-69.3-43.4176-73.7174-179.400112.7M32 K33 F38 K39 E40 F123 Y126 K130M32-E36 WeakPolarHBondContact O-CG 3.46Å; M32-E36 PolarHBondContact O-N 3.48Å; K33-E36 PolarHBondContact O-N 3.37Å; E36-F38 VanDerWaalsContact C-N 3.35Å; E36-F38 PolarHBondContact O-N 3.35Å; E36-K39 WeakPolarHBondContact O-CB 3.27Å; E36-K39 PolarHBondContact O-N 2.92Å; E36-E40 PolarHBondContact O-N 3.1Å; E36-F123 HydrophobicContact CG-CE2 4.37Å; E36-Y126 VanDerWaalsContact CD-OH 3.3Å; E36-Y126 HydrophobicContact CG-CE1 3.71Å; E36-Y126 WeakPolarHBondContact OE1-CE1 3.38Å; E36-Y126 PolarHBondContact OE1-OH 3.37Å; E36-K130 IonicContact OE1-NZ 3.38Å; E36-K130 PolarHBondContact OE1-NZ 3.49Å; E36-K130 IonicContact OE2-NZ 2.98Å
37N96.1Very high95.7Very high65 Ų6553.9 Ų53.935%0.34828%0.282SS..Hα-helixtrans-60.9-45.4175-72.7-2.4000111.1K33 K39 E40 D41K33-N37 WeakPolarHBondContact O-CB 3.44Å; K33-N37 VanDerWaalsContact O-CG 3.22Å; K33-N37 PolarHBondContact O-N 3.4Å; K33-N37 PolarHBondContact O-OD1 2.93Å; N37-K39 VanDerWaalsContact C-N 3.25Å; N37-K39 PolarHBondContact O-N 3.09Å; N37-E40 PolarHBondContact O-N 2.86Å; N37-E40 VanDerWaalsContact O-N 3.1Å; N37-D41 PolarHBondContact O-N 3.44Å
38F96.3Very high95.8Very high28 Ų2858.7 Ų58.712%0.12329%0.286CS..Hα-helixtrans-58.3-39177.5178.1-96.6000112.1N34 E36 T42 F118 I186 H189 Q193N34-F38 WeakPolarHBondContact O-CB 3.45Å; N34-F38 PolarHBondContact O-N 3.49Å; E36-F38 VanDerWaalsContact C-N 3.35Å; E36-F38 PolarHBondContact O-N 3.35Å; F38-T42 VanDerWaalsContact O-CB 3.27Å; F38-T42 WeakPolarHBondContact O-CB 3.47Å; F38-T42 PolarHBondContact O-N 2.85Å; F38-T42 PolarHBondContact O-OG1 2.89Å; F38-F118 HydrophobicContact CD1-CD1 4.15Å; F38-F118 AromaticContact CD1-CE1 3.47Å; F38-F118 HydrophobicContact CD1-CE1 3.47Å; F38-F118 VanDerWaalsContact CD1-CE1 3.47Å; F38-F118 HydrophobicContact CD1-CE2 4.03Å; F38-F118 AromaticContact CD1-CZ 3.41Å; F38-F118 HydrophobicContact CD1-CZ 3.41Å; F38-F118 VanDerWaalsContact CD1-CZ 3.41Å; F38-F118 AromaticContact CE1-CD1 3.79Å; F38-F118 HydrophobicContact CE1-CD1 3.79Å; F38-F118 HydrophobicContact CE1-CD2 4.09Å; F38-F118 AromaticContact CE1-CE1 3.59Å; F38-F118 HydrophobicContact CE1-CE1 3.59Å; F38-F118 AromaticContact CE1-CE2 3.9Å; F38-F118 HydrophobicContact CE1-CE2 3.9Å; F38-F118 HydrophobicContact CE1-CG 4.04Å; F38-F118 AromaticContact CE1-CZ 3.67Å; F38-F118 HydrophobicContact CE1-CZ 3.67Å; F38-I186 HydrophobicContact CB-CD1 3.64Å; F38-I186 HydrophobicContact CD1-CD1 3.78Å; F38-I186 HydrophobicContact CD2-CD1 4.22Å; F38-I186 HydrophobicContact CG-CD1 3.6Å; F38-H189 HydrophobicContact CD1-CB 4.48Å; F38-H189 HydrophobicContact CE1-CB 3.65Å; F38-H189 HydrophobicContact CZ-CB 3.88Å; F38-H189 WeakPolarHBondContact CZ-O 3.47Å; F38-Q193 HydrophobicContact CE2-CB 4.04Å; F38-Q193 HydrophobicContact CE2-CG 4.29Å; F38-Q193 HydrophobicContact CZ-CB 3.91Å; F38-Q193 HydrophobicContact CZ-CG 4.41Å
39K95.8Very high95.9Very high22 Ų2259 Ų5910%0.09629%0.288CS..Hα-helixtrans-63-48.3172.917668.616582.60112.7F35 E36 N37 D41 T42 D43 F118 S119 F123F35-K39 PolarHBondContact O-N 3.25Å; E36-K39 WeakPolarHBondContact O-CB 3.27Å; E36-K39 PolarHBondContact O-N 2.92Å; N37-K39 VanDerWaalsContact C-N 3.25Å; N37-K39 PolarHBondContact O-N 3.09Å; K39-D41 VanDerWaalsContact C-N 3.32Å; K39-D41 PolarHBondContact O-N 3.16Å; K39-T42 PolarHBondContact O-N 3.47Å; K39-D43 IonicContact NZ-OD1 3.97Å; K39-D43 PolarHBondContact NZ-OD1 3.5Å; K39-D43 IonicContact NZ-OD2 2.82Å; K39-D43 PolarHBondContact NZ-OD2 2.98Å; K39-D43 PolarHBondContact O-N 3.48Å; K39-F118 HydrophobicContact CB-CE1 3.93Å; K39-F118 HydrophobicContact CD-CD1 4.18Å; K39-F118 HydrophobicContact CD-CE1 3.76Å; K39-F118 HydrophobicContact CG-CE1 4.47Å; K39-S119 VanDerWaalsContact CD-OG 3.31Å; K39-S119 WeakPolarHBondContact CD-OG 3.39Å; K39-S119 VanDerWaalsContact CE-CB 3.47Å; K39-S119 WeakPolarHBondContact CE-OG 3.33Å; K39-S119 PolarHBondContact NZ-OG 3.34Å; K39-S119 VanDerWaalsContact NZ-OG 3.07Å; K39-F123 HydrophobicContact CB-CD2 3.65Å; K39-F123 HydrophobicContact CB-CE2 3.57Å; K39-F123 HydrophobicContact CB-CG 4.27Å; K39-F123 HydrophobicContact CB-CZ 4.09Å; K39-F123 HydrophobicContact CD-CB 3.87Å; K39-F123 HydrophobicContact CD-CD1 3.87Å; K39-F123 HydrophobicContact CD-CD2 3.86Å; K39-F123 HydrophobicContact CD-CE1 4.34Å; K39-F123 HydrophobicContact CD-CE2 4.38Å; K39-F123 HydrophobicContact CD-CG 3.59Å; K39-F123 HydrophobicContact CG-CD1 3.85Å; K39-F123 HydrophobicContact CG-CD2 3.62Å; K39-F123 HydrophobicContact CG-CE1 3.81Å; K39-F123 HydrophobicContact CG-CE2 3.63Å; K39-F123 HydrophobicContact CG-CG 3.74Å; K39-F123 HydrophobicContact CG-CZ 3.72Å
40E95.9Very high95.9Very high100 Ų10058.9 Ų58.947%0.46729%0.29SS..Hα-helixtrans-60.4-44.1-179.9-172.6-177.4162.500111.3E36 N37 D43 K44E36-E40 PolarHBondContact O-N 3.1Å; N37-E40 PolarHBondContact O-N 2.86Å; N37-E40 VanDerWaalsContact O-N 3.1Å; E40-D43 PolarHBondContact O-N 3.22Å; E40-K44 HydrophobicContact CG-CD 4.42Å; E40-K44 WeakPolarHBondContact O-CG 3.44Å; E40-K44 PolarHBondContact O-N 2.98Å; E40-K44 VanDerWaalsContact OE1-CE 3.25Å; E40-K44 WeakPolarHBondContact OE1-CE 3.22Å; E40-K44 IonicContact OE1-NZ 3.24Å; E40-K44 PolarHBondContact OE1-NZ 3.29Å
41D95.8Very high95.9Very high90 Ų9062 Ų6248%0.48130%0.3SS..Hα-helixtrans-68.9-37.7179.1-67.8-23.9000112N37 K39 T45N37-D41 PolarHBondContact O-N 3.44Å; K39-D41 VanDerWaalsContact C-N 3.32Å; K39-D41 PolarHBondContact O-N 3.16Å; D41-T45 WeakPolarHBondContact O-CB 3.49Å; D41-T45 PolarHBondContact O-N 3.45Å; D41-T45 PolarHBondContact O-OG1 3.14Å
42T96.3Very high95.8Very high3 Ų366.4 Ų66.42%0.01831%0.314CS..Hα-helixtrans-63.1-45.7174.4-60.20000111.1F38 K39 T45 I46 M115 F118F38-T42 VanDerWaalsContact O-CB 3.27Å; F38-T42 WeakPolarHBondContact O-CB 3.47Å; F38-T42 PolarHBondContact O-N 2.85Å; F38-T42 PolarHBondContact O-OG1 2.89Å; K39-T42 PolarHBondContact O-N 3.47Å; T42-T45 WeakPolarHBondContact O-CB 3.49Å; T42-T45 PolarHBondContact O-N 3.24Å; T42-I46 HydrophobicContact CG2-CD1 4.06Å; T42-I46 WeakPolarHBondContact O-CG1 3.43Å; T42-I46 PolarHBondContact O-N 3.49Å; T42-M115 HydrophobicContact CG2-CB 3.9Å; T42-M115 HydrophobicContact CG2-CG 4.45Å; T42-F118 HydrophobicContact CG2-CD1 4.44Å
43D95.9Very high95.7Very high55 Ų5566.8 Ų66.829%0.29432%0.316SS..Hα-helixtrans-63.2-46177.5-73.6-13.6000112K39 E40 T45 I46 D47 S119K39-D43 IonicContact NZ-OD1 3.97Å; K39-D43 PolarHBondContact NZ-OD1 3.5Å; K39-D43 IonicContact NZ-OD2 2.82Å; K39-D43 PolarHBondContact NZ-OD2 2.98Å; K39-D43 PolarHBondContact O-N 3.48Å; E40-D43 PolarHBondContact O-N 3.22Å; D43-T45 PolarHBondContact O-N 3.45Å; D43-I46 WeakPolarHBondContact O-CB 3.44Å; D43-I46 PolarHBondContact O-N 3.08Å; D43-I46 VanDerWaalsContact O-N 3.15Å; D43-D47 PolarHBondContact O-N 3.41Å; D43-S119 PolarHBondContact OD1-OG 3.19Å
44K96.4Very high95.6Very high104 Ų10461.6 Ų61.645%0.45230%0.295SS..Hα-helixtrans-57.5-41.4175.3-74171.2-174.7163.20111.3E40 D47 R48E40-K44 HydrophobicContact CG-CD 4.42Å; E40-K44 WeakPolarHBondContact O-CG 3.44Å; E40-K44 PolarHBondContact O-N 2.98Å; E40-K44 VanDerWaalsContact OE1-CE 3.25Å; E40-K44 WeakPolarHBondContact OE1-CE 3.22Å; E40-K44 IonicContact OE1-NZ 3.24Å; E40-K44 PolarHBondContact OE1-NZ 3.29Å; K44-D47 PolarHBondContact O-N 3.48Å; K44-R48 WeakPolarHBondContact O-CG 3.27Å; K44-R48 PolarHBondContact O-N 3.02Å
45T96Very high95.3Very high49 Ų4965.4 Ų65.430%0.30131%0.308SS..Hα-helixtrans-64.5-44.1177.5-58.30000111.3D41 T42 D43 D47 R48 I49 M115D41-T45 WeakPolarHBondContact O-CB 3.49Å; D41-T45 PolarHBondContact O-N 3.45Å; D41-T45 PolarHBondContact O-OG1 3.14Å; T42-T45 WeakPolarHBondContact O-CB 3.49Å; T42-T45 PolarHBondContact O-N 3.24Å; D43-T45 PolarHBondContact O-N 3.45Å; T45-D47 VanDerWaalsContact C-N 3.32Å; T45-D47 PolarHBondContact O-N 2.9Å; T45-R48 PolarHBondContact O-N 3.42Å; T45-I49 HydrophobicContact CG2-CD1 3.81Å; T45-I49 HydrophobicContact CG2-CG1 4.44Å; T45-I49 WeakPolarHBondContact O-CG1 3.36Å; T45-I49 PolarHBondContact O-N 2.93Å; T45-M115 HydrophobicContact CG2-CE 4.32Å; T45-M115 HydrophobicContact CG2-SD 4.14Å
46I96.4Very high94.5Very high9 Ų969.4 Ų69.45%0.04634%0.341CS..Hα-helixtrans-55.8-48174.3-73.3163.9000110.6T42 D43 I49 N50 L112 M115 K116T42-I46 HydrophobicContact CG2-CD1 4.06Å; T42-I46 WeakPolarHBondContact O-CG1 3.43Å; T42-I46 PolarHBondContact O-N 3.49Å; D43-I46 WeakPolarHBondContact O-CB 3.44Å; D43-I46 PolarHBondContact O-N 3.08Å; D43-I46 VanDerWaalsContact O-N 3.15Å; I46-I49 PolarHBondContact O-N 3.4Å; I46-N50 VanDerWaalsContact CG2-ND2 3.28Å; I46-N50 WeakPolarHBondContact CG2-ND2 3.44Å; I46-N50 WeakPolarHBondContact O-CB 3.47Å; I46-N50 PolarHBondContact O-N 3.47Å; I46-N50 PolarHBondContact O-ND2 3.28Å; I46-L112 HydrophobicContact CB-CD2 4.29Å; I46-L112 HydrophobicContact CG1-CD2 4.24Å; I46-L112 HydrophobicContact CG2-CD2 4.12Å; I46-M115 HydrophobicContact CD1-CB 3.71Å; I46-M115 HydrophobicContact CG1-CB 3.67Å; I46-M115 HydrophobicContact CG1-SD 4.13Å; I46-K116 HydrophobicContact CD1-CG 3.89Å; I46-K116 HydrophobicContact CG2-CG 4.45Å
47D96.5Very high93.6Very high95 Ų9572.7 Ų72.751%0.50837%0.371SS..Hα-helixtrans-61.9-46.1-178.9-70.9-18.6000111.3D43 K44 T45 I49 N50 E51D43-D47 PolarHBondContact O-N 3.41Å; K44-D47 PolarHBondContact O-N 3.48Å; T45-D47 VanDerWaalsContact C-N 3.32Å; T45-D47 PolarHBondContact O-N 2.9Å; D47-I49 PolarHBondContact O-N 3.41Å; D47-N50 PolarHBondContact O-N 3.09Å; D47-E51 WeakPolarHBondContact O-CG 3.32Å; D47-E51 PolarHBondContact O-N 3Å
48R96.8Very high93.3Very high168 Ų16872.2 Ų72.263%0.63437%0.37SS*.Hα-helixtrans-61.8-40.3176.8-66.9-55.7-176-165.90.2113.3K44 T45 E51 Y52K44-R48 WeakPolarHBondContact O-CG 3.27Å; K44-R48 PolarHBondContact O-N 3.02Å; T45-R48 PolarHBondContact O-N 3.42Å; R48-E51 IonicContact CZ-OE2 2.58Å; R48-E51 IonicContact NH1-OE1 2.86Å; R48-E51 IonicContact NH1-OE2 3.43Å; R48-E51 PolarHBondContact NH1-OE2 2.99Å; R48-E51 PolarHBondContact O-N 3.26Å; R48-Y52 WeakPolarHBondContact O-CB 3.45Å; R48-Y52 PolarHBondContact O-N 3.38Å; R48-Y52 VanDerWaalsContact O-N 3.16Å
49I96.6Very high93Very high11 Ų1175.1 Ų75.16%0.05639%0.386CS..Hα-helixtrans-68.9-41.1177.2-67.4171000110.5T45 I46 D47 E51 Y52 I53 T107 T111 L112 M115 F200T45-I49 HydrophobicContact CG2-CD1 3.81Å; T45-I49 HydrophobicContact CG2-CG1 4.44Å; T45-I49 WeakPolarHBondContact O-CG1 3.36Å; T45-I49 PolarHBondContact O-N 2.93Å; I46-I49 PolarHBondContact O-N 3.4Å; D47-I49 PolarHBondContact O-N 3.41Å; I49-E51 VanDerWaalsContact C-N 3.31Å; I49-E51 PolarHBondContact O-N 3.11Å; I49-Y52 PolarHBondContact O-N 3Å; I49-Y52 VanDerWaalsContact O-N 3.12Å; I49-I53 HydrophobicContact CG2-CG2 4.21Å; I49-I53 WeakPolarHBondContact O-CG1 3.47Å; I49-I53 PolarHBondContact O-N 3.44Å; I49-T107 HydrophobicContact CG2-CG2 3.35Å; I49-T111 HydrophobicContact CD1-CG2 3.9Å; I49-L112 HydrophobicContact CB-CD2 3.84Å; I49-L112 HydrophobicContact CD1-CD2 4.45Å; I49-L112 HydrophobicContact CG2-CD1 4Å; I49-L112 HydrophobicContact CG2-CD2 3.66Å; I49-L112 HydrophobicContact CG2-CG 3.83Å; I49-M115 HydrophobicContact CD1-CE 4.23Å; I49-M115 HydrophobicContact CD1-SD 4.33Å; I49-F200 HydrophobicContact CG1-CE1 4.49Å; I49-F200 HydrophobicContact CG1-CZ 4.47Å; I49-F200 HydrophobicContact CG2-CE2 4.31Å
50N94.7Very high93Very high63 Ų6374.3 Ų74.334%0.33738%0.384SS..Hα-helixtrans-63.3-35.2175.5-73.6-50.2000112.6I46 D47 Y52 L112I46-N50 VanDerWaalsContact CG2-ND2 3.28Å; I46-N50 WeakPolarHBondContact CG2-ND2 3.44Å; I46-N50 WeakPolarHBondContact O-CB 3.47Å; I46-N50 PolarHBondContact O-N 3.47Å; I46-N50 PolarHBondContact O-ND2 3.28Å; D47-N50 PolarHBondContact O-N 3.09Å; N50-Y52 VanDerWaalsContact C-N 3.28Å; N50-L112 WeakPolarHBondContact OD1-CD1 3.37Å
51E94.5Very high92.9Very high133 Ų13377.2 Ų77.262%0.62140%0.395SS*.Hα-helixtrans-66.5-31.3173.7-74.5174.717300112.3D47 R48 I49D47-E51 WeakPolarHBondContact O-CG 3.32Å; D47-E51 PolarHBondContact O-N 3Å; R48-E51 IonicContact CZ-OE2 2.58Å; R48-E51 IonicContact NH1-OE1 2.86Å; R48-E51 IonicContact NH1-OE2 3.43Å; R48-E51 PolarHBondContact NH1-OE2 2.99Å; R48-E51 PolarHBondContact O-N 3.26Å; I49-E51 VanDerWaalsContact C-N 3.31Å; I49-E51 PolarHBondContact O-N 3.11Å
52Y93.5Very high93Very high111 Ų11174.9 Ų74.944%0.43538%0.381SS..Hα-helixtrans-81.9-46.4-176.1176.9-99.1000113.6R48 I49 N50 M103 F200 M204R48-Y52 WeakPolarHBondContact O-CB 3.45Å; R48-Y52 PolarHBondContact O-N 3.38Å; R48-Y52 VanDerWaalsContact O-N 3.16Å; I49-Y52 PolarHBondContact O-N 3Å; I49-Y52 VanDerWaalsContact O-N 3.12Å; N50-Y52 VanDerWaalsContact C-N 3.28Å; Y52-M103 HydrophobicContact CD1-CE 4.46Å; Y52-M103 HydrophobicContact CE1-CE 3.69Å; Y52-M103 HydrophobicContact CE1-SD 4.19Å; Y52-F200 HydrophobicContact CD1-CE2 4.21Å; Y52-F200 AromaticContact CD1-CZ 3.97Å; Y52-F200 HydrophobicContact CD1-CZ 3.97Å; Y52-F200 HydrophobicContact CE1-CE2 4.33Å; Y52-F200 HydrophobicContact CE1-CZ 4.1Å; Y52-M204 HydrophobicContact CE1-SD 4.47Å
53I93.8Very high93Very high22 Ų2276.2 Ų76.211%0.11339%0.387CS..SBendtrans-71.7149.7-173.564.2177.5000112.2I49 T107 L112I49-I53 HydrophobicContact CG2-CG2 4.21Å; I49-I53 WeakPolarHBondContact O-CG1 3.47Å; I49-I53 PolarHBondContact O-N 3.44Å; I53-T107 HydrophobicContact CG2-CG2 3.78Å; I53-L112 HydrophobicContact CD1-CD1 3.67Å
54P92.4Very high93Very high22 Ų2280.6 Ų80.614%0.14340%0.399CS..PPolyproline II helixtrans-61.4142.4175.527.1-36.4000111A56 T60 E100P54-A56 PolarHBondContact O-N 3.44Å; P54-T60 HydrophobicContact CB-CG2 4.13Å; P54-E100 HydrophobicContact CG-CG 4.13Å; P54-E100 WeakPolarHBondContact CG-O 3.42Å
55K89Confident93Very high162 Ų16279.3 Ų79.370%0.70440%0.397SS*.PPolyproline II helixtrans-70.5131.2173-66.5-176.4-179.5-177.70109.2S57 T58K55-S57 PolarHBondContact O-N 2.98Å; K55-T58 HydrophobicContact CB-CG2 4.13Å; K55-T58 PolarHBondContact O-N 3.41Å; K55-T58 PolarHBondContact O-OG1 3.31Å
56A79.4Confident93.1Very high83 Ų8377 Ų7769%0.68638%0.382SS*.THydrogen-bonded Turntrans-49.3141.117100000110.2P54 T58P54-A56 PolarHBondContact O-N 3.44Å; A56-T58 VanDerWaalsContact C-N 3.27Å; A56-T58 PolarHBondContact O-N 2.89Å
57S78Confident93.1Very high132 Ų13280.3 Ų80.392%0.92340%0.397SS*.THydrogen-bonded Turntrans65.610.2-178.572.80000117.7K55K55-S57 PolarHBondContact O-N 2.98Å
58T89.1Confident93.1Very high55 Ų5578.6 Ų78.634%0.33740%0.397SS..SBendtrans-113.3139.5174.267.30000110.9K55 A56 T60 Q101K55-T58 HydrophobicContact CB-CG2 4.13Å; K55-T58 PolarHBondContact O-N 3.41Å; K55-T58 PolarHBondContact O-OG1 3.31Å; A56-T58 VanDerWaalsContact C-N 3.27Å; A56-T58 PolarHBondContact O-N 2.89Å; T58-T60 PolarHBondContact O-N 3.47Å; T58-Q101 PolarHBondContact O-NE2 3.04Å
59L90.4Very high93.1Very high88 Ų8871.4 Ų71.446%0.46137%0.371SS..  trans-60.5131.9171.8-67.4-179.5000109.9E63 R64 E67L59-E63 VanDerWaalsContact CA-OE2 3.27Å; L59-E63 WeakPolarHBondContact CA-OE2 3.33Å; L59-E63 HydrophobicContact CB-CB 4.09Å; L59-E63 HydrophobicContact CD2-CB 3.96Å; L59-E63 HydrophobicContact CG-CB 4.49Å; L59-R64 HydrophobicContact CB-CG 3.92Å; L59-R64 HydrophobicContact CD1-CG 4.48Å; L59-R64 PolarHBondContact O-NE 3.01Å; L59-R64 PolarHBondContact O-NH2 3.31Å; L59-E67 HydrophobicContact CD1-CG 4.41Å
60T94.9Very high93Very high6 Ų672.2 Ų72.24%0.03738%0.378CS..  trans-66.2168.7171.286.40000110.6P54 T58 Q62 E63 R64 G97 E100 Q101P54-T60 HydrophobicContact CB-CG2 4.13Å; T58-T60 PolarHBondContact O-N 3.47Å; T60-Q62 PolarHBondContact O-N 3.07Å; T60-Q62 PolarHBondContact OG1-N 2.88Å; T60-Q62 PolarHBondContact OG1-OE1 2.89Å; T60-E63 PolarHBondContact N-OE2 3.41Å; T60-E63 PolarHBondContact O-N 3.38Å; T60-E63 PolarHBondContact OG1-N 3.17Å; T60-R64 WeakPolarHBondContact O-CG 3.46Å; T60-R64 PolarHBondContact O-N 3.37Å; T60-G97 WeakPolarHBondContact OG1-CA 3.33Å; T60-E100 WeakPolarHBondContact CB-OE2 3.33Å; T60-E100 HydrophobicContact CG2-CB 4.22Å; T60-E100 HydrophobicContact CG2-CG 4.26Å; T60-E100 PolarHBondContact OG1-OE2 3.3Å; T60-E100 VanDerWaalsContact OG1-OE2 3.13Å; T60-Q101 HydrophobicContact CG2-CG 3.76Å
61K95.1Very high93Very high161 Ų16175.7 Ų75.770%0.739%0.39SS*.Hα-helixtrans-62.1-35.6-179.9-66.4175.1-178.9171.30111R64 I65K61-R64 PolarHBondContact O-N 2.98Å; K61-I65 WeakPolarHBondContact O-CG1 3.39Å; K61-I65 PolarHBondContact O-N 3.32Å
62Q96.9Very high92.8Very high41 Ų4173.6 Ų73.619%0.19238%0.381CS..Hα-helixtrans-69.9-42.4-179.5-66.582.1-31.500109.9T60 R64 I65 A66 M93 I96 E100T60-Q62 PolarHBondContact O-N 3.07Å; T60-Q62 PolarHBondContact OG1-N 2.88Å; T60-Q62 PolarHBondContact OG1-OE1 2.89Å; Q62-R64 VanDerWaalsContact C-N 3.33Å; Q62-R64 PolarHBondContact O-N 3.47Å; Q62-I65 WeakPolarHBondContact O-CB 3.14Å; Q62-I65 PolarHBondContact O-N 2.76Å; Q62-A66 PolarHBondContact O-N 3.4Å; Q62-M93 HydrophobicContact CB-SD 4.41Å; Q62-M93 HydrophobicContact CG-SD 4.4Å; Q62-I96 HydrophobicContact CB-CG2 4.42Å; Q62-I96 HydrophobicContact CG-CB 4.36Å; Q62-I96 HydrophobicContact CG-CG2 3.81Å; Q62-E100 PolarHBondContact NE2-OE2 3.43Å; Q62-E100 PolarHBondContact OE1-OE2 3.34Å
63E96.1Very high92.8Very high30 Ų3068.5 Ų68.514%0.1436%0.362CS..Hα-helixtrans-64.1-38.5173.9-59.7177.9131.700111.6L59 T60 I65 A66 E67 Q101L59-E63 VanDerWaalsContact CA-OE2 3.27Å; L59-E63 WeakPolarHBondContact CA-OE2 3.33Å; L59-E63 HydrophobicContact CB-CB 4.09Å; L59-E63 HydrophobicContact CD2-CB 3.96Å; L59-E63 HydrophobicContact CG-CB 4.49Å; T60-E63 PolarHBondContact N-OE2 3.41Å; T60-E63 PolarHBondContact O-N 3.38Å; T60-E63 PolarHBondContact OG1-N 3.17Å; E63-I65 PolarHBondContact O-N 3.13Å; E63-A66 WeakPolarHBondContact O-CB 3.44Å; E63-A66 PolarHBondContact O-N 2.91Å; E63-E67 WeakPolarHBondContact O-CG 3.38Å; E63-E67 PolarHBondContact O-N 3.45Å; E63-Q101 PolarHBondContact OE2-NE2 3.41Å
64R96.5Very high92.7Very high148 Ų14871.5 Ų71.556%0.55839%0.39SS*.Hα-helixtrans-64-39.1174.1-66.7173.6-160.9-164.81.2112.5L59 T60 K61 Q62 E67 A68L59-R64 HydrophobicContact CB-CG 3.92Å; L59-R64 HydrophobicContact CD1-CG 4.48Å; L59-R64 PolarHBondContact O-NE 3.01Å; L59-R64 PolarHBondContact O-NH2 3.31Å; T60-R64 WeakPolarHBondContact O-CG 3.46Å; T60-R64 PolarHBondContact O-N 3.37Å; K61-R64 PolarHBondContact O-N 2.98Å; Q62-R64 VanDerWaalsContact C-N 3.33Å; Q62-R64 PolarHBondContact O-N 3.47Å; R64-E67 PolarHBondContact O-N 3.08Å; R64-A68 PolarHBondContact O-N 3.35Å; R64-A68 VanDerWaalsContact O-N 3.1Å
65I97Very high92.7Very high77 Ų7778.5 Ų78.540%0.39542%0.421SS..Hα-helixtrans-62.3-46.9173.2-70.1165.6000109.6K61 Q62 E63 E67 A68 T69 F89 M93K61-I65 WeakPolarHBondContact O-CG1 3.39Å; K61-I65 PolarHBondContact O-N 3.32Å; Q62-I65 WeakPolarHBondContact O-CB 3.14Å; Q62-I65 PolarHBondContact O-N 2.76Å; E63-I65 PolarHBondContact O-N 3.13Å; I65-E67 VanDerWaalsContact C-N 3.31Å; I65-E67 PolarHBondContact O-N 3.45Å; I65-A68 PolarHBondContact O-N 2.94Å; I65-A68 VanDerWaalsContact O-N 3.14Å; I65-T69 PolarHBondContact O-N 3.36Å; I65-T69 PolarHBondContact O-OG1 3.49Å; I65-T69 VanDerWaalsContact O-OG1 3.08Å; I65-F89 HydrophobicContact CG2-CE1 3.98Å; I65-M93 HydrophobicContact CG2-CG 4.1Å
66A97.4Very high92.8Very high0 Ų072.4 Ų72.40%040%0.397CS..Hα-helixtrans-58-42.5178.900000113.1Q62 E63 T69 S70 A90 M93 R94Q62-A66 PolarHBondContact O-N 3.4Å; E63-A66 WeakPolarHBondContact O-CB 3.44Å; E63-A66 PolarHBondContact O-N 2.91Å; A66-T69 PolarHBondContact O-N 2.85Å; A66-S70 WeakPolarHBondContact O-CB 3.44Å; A66-S70 PolarHBondContact O-N 2.99Å; A66-S70 PolarHBondContact O-OG 3.46Å; A66-A90 HydrophobicContact CB-CB 4.3Å; A66-A90 VanDerWaalsContact CB-O 3.22Å; A66-A90 WeakPolarHBondContact CB-O 3.45Å; A66-A90 WeakPolarHBondContact O-CB 3.31Å; A66-M93 HydrophobicContact CB-CB 3.85Å; A66-R94 HydrophobicContact CB-CG 3.54Å
67E96.4Very high93.3Very high78 Ų7873.2 Ų73.236%0.36439%0.39SS..Hα-helixtrans-63.8-42.5175.9-73.3-55.212500112L59 E63 R64 I65 S70 K71 R94L59-E67 HydrophobicContact CD1-CG 4.41Å; E63-E67 WeakPolarHBondContact O-CG 3.38Å; E63-E67 PolarHBondContact O-N 3.45Å; R64-E67 PolarHBondContact O-N 3.08Å; I65-E67 VanDerWaalsContact C-N 3.31Å; I65-E67 PolarHBondContact O-N 3.45Å; E67-S70 PolarHBondContact O-N 3.25Å; E67-K71 WeakPolarHBondContact O-CG 3.35Å; E67-K71 PolarHBondContact O-N 3.09Å; E67-K71 VanDerWaalsContact O-N 3.11Å; E67-R94 IonicContact OE1-CZ 2.69Å; E67-R94 IonicContact OE1-NE 3.69Å; E67-R94 IonicContact OE1-NH2 3.83Å; E67-R94 PolarHBondContact OE1-NH2 3.02Å
68A96.7Very high93.9Very high60 Ų6072.5 Ų72.550%0.49638%0.382SS..Hα-helixtrans-64.5-44.9175.800000112.1R64 I65 S70 K71 M72R64-A68 PolarHBondContact O-N 3.35Å; R64-A68 VanDerWaalsContact O-N 3.1Å; I65-A68 PolarHBondContact O-N 2.94Å; I65-A68 VanDerWaalsContact O-N 3.14Å; A68-S70 PolarHBondContact O-N 3.07Å; A68-K71 PolarHBondContact O-N 3.3Å; A68-M72 PolarHBondContact O-N 3.38Å
69T96.4Very high94.1Very high16 Ų1674.8 Ų74.810%0.09840%0.4CS..Hα-helixtrans-64.6-39.2177.6-56.80000111.7I65 A66 K71 M72 S73 A86 F89 A90I65-T69 PolarHBondContact O-N 3.36Å; I65-T69 PolarHBondContact O-OG1 3.49Å; I65-T69 VanDerWaalsContact O-OG1 3.08Å; A66-T69 PolarHBondContact O-N 2.85Å; T69-K71 VanDerWaalsContact C-N 3.35Å; T69-K71 PolarHBondContact O-N 3Å; T69-M72 HydrophobicContact CG2-CE 4.16Å; T69-M72 WeakPolarHBondContact O-CB 3.47Å; T69-M72 PolarHBondContact O-N 3.27Å; T69-S73 PolarHBondContact O-N 3.23Å; T69-A86 HydrophobicContact CG2-CB 3.87Å; T69-A86 WeakPolarHBondContact CG2-O 3.45Å; T69-F89 HydrophobicContact CG2-CB 4.46Å; T69-F89 HydrophobicContact CG2-CD1 3.86Å; T69-A90 HydrophobicContact CG2-CB 4.16Å
70S94.4Very high94.2Very high29 Ų2975.5 Ų75.520%0.20340%0.401CS..Hα-helixtrans-64.6-40.5177.6-60.70000111.8A66 E67 A68 S73 A74 A90 R94A66-S70 WeakPolarHBondContact O-CB 3.44Å; A66-S70 PolarHBondContact O-N 2.99Å; A66-S70 PolarHBondContact O-OG 3.46Å; E67-S70 PolarHBondContact O-N 3.25Å; A68-S70 PolarHBondContact O-N 3.07Å; S70-S73 WeakPolarHBondContact O-CB 3.49Å; S70-S73 PolarHBondContact O-N 2.92Å; S70-A74 PolarHBondContact O-N 3.05Å; S70-A90 WeakPolarHBondContact OG-CB 3.47Å; S70-R94 PolarHBondContact OG-NH1 3.48Å; S70-R94 PolarHBondContact OG-NH2 3.26Å
71K94.7Very high94.1Very high135 Ų13579.9 Ų79.959%0.58743%0.432SS*.Hα-helixtrans-61.9-43.8173.2-71.8173.3-176.4179.80111.6E67 A68 T69 S73 A74 H75E67-K71 WeakPolarHBondContact O-CG 3.35Å; E67-K71 PolarHBondContact O-N 3.09Å; E67-K71 VanDerWaalsContact O-N 3.11Å; A68-K71 PolarHBondContact O-N 3.3Å; T69-K71 VanDerWaalsContact C-N 3.35Å; T69-K71 PolarHBondContact O-N 3Å; K71-S73 VanDerWaalsContact C-N 3.33Å; K71-S73 PolarHBondContact O-N 3.48Å; K71-A74 PolarHBondContact O-N 2.95Å; K71-H75 PolarHBondContact O-CD2 3.31Å; K71-H75 PolarHBondContact O-N 3.41Å
72M91.5Very high93.9Very high89 Ų8975.4 Ų75.444%0.43842%0.415SS..Hα-helixtrans-57.5-47.6174-179.2-175.573.200111.1A68 T69 A74 H75 V76 A86A68-M72 PolarHBondContact O-N 3.38Å; T69-M72 HydrophobicContact CG2-CE 4.16Å; T69-M72 WeakPolarHBondContact O-CB 3.47Å; T69-M72 PolarHBondContact O-N 3.27Å; M72-A74 VanDerWaalsContact C-N 3.28Å; M72-A74 PolarHBondContact O-N 3.36Å; M72-H75 PolarHBondContact O-N 3.43Å; M72-H75 VanDerWaalsContact O-N 3.11Å; M72-V76 WeakPolarHBondContact O-CG2 3.48Å; M72-V76 PolarHBondContact O-N 2.94Å; M72-A86 HydrophobicContact CE-CB 3.74Å
73S92.6Very high93.7Very high5 Ų574.2 Ų74.24%0.03541%0.411CS..Hα-helixtrans-58.1-39.3178-164.60000113T69 S70 K71 H75 V76 S83 T87T69-S73 PolarHBondContact O-N 3.23Å; S70-S73 WeakPolarHBondContact O-CB 3.49Å; S70-S73 PolarHBondContact O-N 2.92Å; K71-S73 VanDerWaalsContact C-N 3.33Å; K71-S73 PolarHBondContact O-N 3.48Å; S73-H75 PolarHBondContact O-N 2.92Å; S73-V76 PolarHBondContact O-N 3.48Å; S73-S83 PolarHBondContact O-OG 2.72Å; S73-S83 WeakPolarHBondContact OG-CA 3.42Å; S73-S83 PolarHBondContact OG-O 2.99Å; S73-S83 PolarHBondContact OG-OG 2.91Å; S73-T87 PolarHBondContact OG-OG1 3.46Å
74A91.7Very high93.5Very high85 Ų8580 Ų8070%0.70244%0.436SS*.Hα-helixtrans-69-19.4179.700000113.7S70 K71 M72S70-A74 PolarHBondContact O-N 3.05Å; K71-A74 PolarHBondContact O-N 2.95Å; M72-A74 VanDerWaalsContact C-N 3.28Å; M72-A74 PolarHBondContact O-N 3.36Å
75H92.7Very high93.4Very high169 Ų16976.6 Ų76.678%0.78243%0.429SS*.THydrogen-bonded Turntrans-90.5-8.6174.8-69.8-58.7000113.6K71 M72 S73K71-H75 PolarHBondContact O-CD2 3.31Å; K71-H75 PolarHBondContact O-N 3.41Å; M72-H75 PolarHBondContact O-N 3.43Å; M72-H75 VanDerWaalsContact O-N 3.11Å; S73-H75 PolarHBondContact O-N 2.92Å
76V91.5Very high93.3Very high33 Ų3373 Ų7320%0.241%0.411CS..SBendtrans-95.2142.5178.6176.60000108.9M72 S73 H80 L82M72-V76 WeakPolarHBondContact O-CG2 3.48Å; M72-V76 PolarHBondContact O-N 2.94Å; S73-V76 PolarHBondContact O-N 3.48Å; V76-H80 HydrophobicContact CG1-CB 3.78Å; V76-L82 HydrophobicContact CG1-CB 4.28Å; V76-L82 HydrophobicContact CG2-CD2 3.97Å; V76-L82 HydrophobicContact CG2-CG 4.44Å
77D90.2Very high93.2Very high101 Ų10176 Ų7654%0.5443%0.429SS..  trans-50.9125.6172.4-172.1-50.5000110S79 H80D77-S79 VanDerWaalsContact CG-OG 3.28Å; D77-S79 PolarHBondContact O-N 3.38Å; D77-S79 VanDerWaalsContact O-N 3.08Å; D77-S79 VanDerWaalsContact OD1-CB 3.27Å; D77-S79 WeakPolarHBondContact OD1-CB 3.24Å; D77-S79 PolarHBondContact OD1-N 3.25Å; D77-S79 PolarHBondContact OD1-OG 3.46Å; D77-H80 HydrophobicContact CB-CB 4.35Å; D77-H80 VanDerWaalsContact O-CB 3.28Å; D77-H80 WeakPolarHBondContact O-CB 3.44Å; D77-H80 PolarHBondContact O-N 3.3Å
78P90.4Very high93.1Very high116 Ų11672.8 Ų72.875%0.75342%0.416SS*.THydrogen-bonded Turntrans-57.2-24-178.9-26.534.9000114.6H80P78-H80 VanDerWaalsContact C-N 3.31Å
79S92.3Very high93.1Very high104 Ų10472.6 Ų72.673%0.72740%0.404SS*.THydrogen-bonded Turntrans-76.5-17.6175.669.80000113.4D77D77-S79 VanDerWaalsContact CG-OG 3.28Å; D77-S79 PolarHBondContact O-N 3.38Å; D77-S79 VanDerWaalsContact O-N 3.08Å; D77-S79 VanDerWaalsContact OD1-CB 3.27Å; D77-S79 WeakPolarHBondContact OD1-CB 3.24Å; D77-S79 PolarHBondContact OD1-N 3.25Å; D77-S79 PolarHBondContact OD1-OG 3.46Å
80H93Very high93.2Very high102 Ų10271.9 Ų71.947%0.47240%0.4SS..SBendtrans-78.2134.3179.6-168.2-77000110.8V76 D77 P78 L82 S83V76-H80 HydrophobicContact CG1-CB 3.78Å; D77-H80 HydrophobicContact CB-CB 4.35Å; D77-H80 VanDerWaalsContact O-CB 3.28Å; D77-H80 WeakPolarHBondContact O-CB 3.44Å; D77-H80 PolarHBondContact O-N 3.3Å; P78-H80 VanDerWaalsContact C-N 3.31Å; H80-L82 WeakPolarHBondContact ND1-CB 3.5Å; H80-L82 PolarHBondContact ND1-N 3.39Å; H80-L82 VanDerWaalsContact ND1-N 3.15Å; H80-L82 PolarHBondContact O-N 2.93Å; H80-L82 VanDerWaalsContact O-N 3.09Å; H80-S83 WeakPolarHBondContact O-CB 3.46Å; H80-S83 PolarHBondContact O-N 2.95Å
81S92.1Very high93.3Very high98 Ų9874.2 Ų74.269%0.68541%0.41SS*.Hα-helixtrans-54.4-33.8-176.6570000114S83 K84 N85S81-S83 VanDerWaalsContact C-N 3.28Å; S81-S83 PolarHBondContact O-N 3.48Å; S81-K84 PolarHBondContact O-N 3.11Å; S81-N85 PolarHBondContact O-N 2.86Å; S81-N85 VanDerWaalsContact O-N 3.08Å
82L92.4Very high93.4Very high67 Ų6768.1 Ų68.135%0.35138%0.384SS..Hα-helixtrans-56.8-36.3174.3-177.962.5000113.2V76 H80 N85 A86V76-L82 HydrophobicContact CG1-CB 4.28Å; V76-L82 HydrophobicContact CG2-CD2 3.97Å; V76-L82 HydrophobicContact CG2-CG 4.44Å; H80-L82 WeakPolarHBondContact ND1-CB 3.5Å; H80-L82 PolarHBondContact ND1-N 3.39Å; H80-L82 VanDerWaalsContact ND1-N 3.15Å; H80-L82 PolarHBondContact O-N 2.93Å; H80-L82 VanDerWaalsContact O-N 3.09Å; L82-N85 PolarHBondContact O-N 3.29Å; L82-A86 WeakPolarHBondContact O-CB 3.47Å; L82-A86 PolarHBondContact O-N 2.88Å
83S92.6Very high93.7Very high16 Ų1665.1 Ų65.111%0.11237%0.369CS..Hα-helixtrans-64-47-179.9-169.40000110.9S73 H80 S81 N85 A86 T87S73-S83 PolarHBondContact O-OG 2.72Å; S73-S83 WeakPolarHBondContact OG-CA 3.42Å; S73-S83 PolarHBondContact OG-O 2.99Å; S73-S83 PolarHBondContact OG-OG 2.91Å; H80-S83 WeakPolarHBondContact O-CB 3.46Å; H80-S83 PolarHBondContact O-N 2.95Å; S81-S83 VanDerWaalsContact C-N 3.28Å; S81-S83 PolarHBondContact O-N 3.48Å; S83-N85 PolarHBondContact O-N 3.5Å; S83-A86 PolarHBondContact O-N 3.07Å; S83-T87 WeakPolarHBondContact O-CB 3.35Å; S83-T87 PolarHBondContact O-N 3.17Å; S83-T87 PolarHBondContact O-OG1 3.37Å
84K91.7Very high94Very high152 Ų15268 Ų6866%0.66138%0.379SS*.Hα-helixtrans-61.6-46.3175.3-172.5-176.6176.7-1680111.9S81 T87 A88S81-K84 PolarHBondContact O-N 3.11Å; K84-T87 PolarHBondContact O-N 3.03Å; K84-A88 WeakPolarHBondContact O-CB 3.24Å; K84-A88 PolarHBondContact O-N 2.99Å
85N94Very high94.2Very high77 Ų7766.5 Ų66.541%0.41236%0.362SS..Hα-helixtrans-65.4-43.8-179.6177.8-100.5000112.5S81 L82 S83 T87 A88 F89 Y218S81-N85 PolarHBondContact O-N 2.86Å; S81-N85 VanDerWaalsContact O-N 3.08Å; L82-N85 PolarHBondContact O-N 3.29Å; S83-N85 PolarHBondContact O-N 3.5Å; N85-T87 PolarHBondContact O-N 3.19Å; N85-A88 PolarHBondContact O-N 3Å; N85-F89 WeakPolarHBondContact O-CB 3.47Å; N85-F89 PolarHBondContact O-N 3.4Å; N85-Y218 PolarHBondContact ND2-OH 3.37Å; N85-Y218 PolarHBondContact OD1-OH 3.32Å
86A95.3Very high94.5Very high2 Ų259 Ų592%0.01733%0.327CS..Hα-helixtrans-62.6-42.3177.300000111.4T69 M72 L82 S83 F89 A90T69-A86 HydrophobicContact CG2-CB 3.87Å; T69-A86 WeakPolarHBondContact CG2-O 3.45Å; M72-A86 HydrophobicContact CE-CB 3.74Å; L82-A86 WeakPolarHBondContact O-CB 3.47Å; L82-A86 PolarHBondContact O-N 2.88Å; S83-A86 PolarHBondContact O-N 3.07Å; A86-F89 PolarHBondContact O-N 2.89Å; A86-A90 WeakPolarHBondContact O-CB 3.14Å; A86-A90 PolarHBondContact O-N 2.97Å
87T93.9Very high94.7Very high61 Ų6157.4 Ų57.437%0.37432%0.318SS..Hα-helixtrans-59.9-48.6174.2-60.30000111.2S73 S83 K84 N85 F89 A90 D91S73-T87 PolarHBondContact OG-OG1 3.46Å; S83-T87 WeakPolarHBondContact O-CB 3.35Å; S83-T87 PolarHBondContact O-N 3.17Å; S83-T87 PolarHBondContact O-OG1 3.37Å; K84-T87 PolarHBondContact O-N 3.03Å; N85-T87 PolarHBondContact O-N 3.19Å; T87-F89 PolarHBondContact O-N 3.27Å; T87-A90 WeakPolarHBondContact O-CB 3.49Å; T87-A90 PolarHBondContact O-N 3.38Å; T87-D91 PolarHBondContact O-N 3.49Å
88A95.1Very high95Very high11 Ų1159.7 Ų59.79%0.09132%0.319CS..Hα-helixtrans-61.3-40.9178.100000113.4K84 N85 D91 C92 Y218K84-A88 WeakPolarHBondContact O-CB 3.24Å; K84-A88 PolarHBondContact O-N 2.99Å; N85-A88 PolarHBondContact O-N 3Å; A88-D91 PolarHBondContact O-N 2.95Å; A88-C92 PolarHBondContact O-N 3.01Å; A88-Y218 HydrophobicContact CB-CD2 4.06Å; A88-Y218 HydrophobicContact CB-CE2 4.16Å
89F97.1Very high95.3Very high57 Ų5754.7 Ų54.725%0.2529%0.287CS..Hα-helixtrans-65.7-41175.9-177.9-108.5000111.7I65 T69 N85 A86 T87 D91 C92 M93 Y218I65-F89 HydrophobicContact CG2-CE1 3.98Å; T69-F89 HydrophobicContact CG2-CB 4.46Å; T69-F89 HydrophobicContact CG2-CD1 3.86Å; N85-F89 WeakPolarHBondContact O-CB 3.47Å; N85-F89 PolarHBondContact O-N 3.4Å; A86-F89 PolarHBondContact O-N 2.89Å; T87-F89 PolarHBondContact O-N 3.27Å; F89-D91 VanDerWaalsContact C-N 3.33Å; F89-D91 PolarHBondContact O-N 2.92Å; F89-C92 WeakPolarHBondContact O-CB 3.47Å; F89-C92 PolarHBondContact O-N 3.12Å; F89-M93 HydrophobicContact CD1-CG 4.38Å; F89-M93 HydrophobicContact CD2-CE 4.39Å; F89-M93 HydrophobicContact CE1-CE 4.17Å; F89-M93 HydrophobicContact CE1-CG 4.03Å; F89-M93 HydrophobicContact CE2-CE 3.39Å; F89-M93 HydrophobicContact CE2-CG 4.34Å; F89-M93 HydrophobicContact CZ-CE 3.27Å; F89-M93 HydrophobicContact CZ-CG 4.03Å; F89-M93 HydrophobicContact CZ-SD 4.47Å; F89-M93 WeakPolarHBondContact O-CG 3.26Å; F89-M93 PolarHBondContact O-N 3.16Å; F89-Y218 HydrophobicContact CB-CD2 4.36Å; F89-Y218 HydrophobicContact CB-CE2 3.67Å; F89-Y218 HydrophobicContact CD2-CD1 4.37Å; F89-Y218 AromaticContact CD2-CE1 3.86Å; F89-Y218 HydrophobicContact CD2-CE1 3.86Å; F89-Y218 HydrophobicContact CD2-CE2 4.22Å; F89-Y218 AromaticContact CD2-CZ 3.78Å; F89-Y218 HydrophobicContact CG-CE2 4.46Å
90A97.2Very high95.5Very high0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-59.8-44.217500000111.3A66 T69 S70 A86 T87 C92 M93 R94A66-A90 HydrophobicContact CB-CB 4.3Å; A66-A90 VanDerWaalsContact CB-O 3.22Å; A66-A90 WeakPolarHBondContact CB-O 3.45Å; A66-A90 WeakPolarHBondContact O-CB 3.31Å; T69-A90 HydrophobicContact CG2-CB 4.16Å; S70-A90 WeakPolarHBondContact OG-CB 3.47Å; A86-A90 WeakPolarHBondContact O-CB 3.14Å; A86-A90 PolarHBondContact O-N 2.97Å; T87-A90 WeakPolarHBondContact O-CB 3.49Å; T87-A90 PolarHBondContact O-N 3.38Å; A90-C92 PolarHBondContact O-N 3.16Å; A90-M93 PolarHBondContact O-N 3.35Å; A90-R94 WeakPolarHBondContact O-CG 3.43Å; A90-R94 PolarHBondContact O-N 3.13Å
91D96.6Very high95.6Very high78 Ų7848.4 Ų48.442%0.41725%0.247SC..Hα-helixtrans-66.2-37.3178.4-70.4-20.6000113.1T87 A88 F89 R94 T95T87-D91 PolarHBondContact O-N 3.49Å; A88-D91 PolarHBondContact O-N 2.95Å; F89-D91 VanDerWaalsContact C-N 3.33Å; F89-D91 PolarHBondContact O-N 2.92Å; D91-R94 PolarHBondContact O-N 2.96Å; D91-R94 IonicContact OD1-CZ 3.61Å; D91-R94 IonicContact OD1-NH1 2.84Å; D91-R94 PolarHBondContact OD1-NH1 3.25Å; D91-T95 PolarHBondContact O-N 2.91Å; D91-T95 PolarHBondContact O-OG1 3.45Å
92C97.8Very high95.8Very high7 Ų749.8 Ų49.85%0.04724%0.242CC..Hα-helixtrans-56.7-51169.31780000110.8A88 F89 A90 R94 T95 I96 A214 Y218A88-C92 PolarHBondContact O-N 3.01Å; F89-C92 WeakPolarHBondContact O-CB 3.47Å; F89-C92 PolarHBondContact O-N 3.12Å; A90-C92 PolarHBondContact O-N 3.16Å; C92-R94 PolarHBondContact O-N 3.43Å; C92-T95 WeakPolarHBondContact O-CB 3.47Å; C92-T95 PolarHBondContact O-N 3Å; C92-T95 VanDerWaalsContact O-N 3.11Å; C92-I96 WeakPolarHBondContact O-CG1 3.41Å; C92-I96 PolarHBondContact O-N 3.15Å; C92-A214 PolarHBondContact SG-O 2.89Å; C92-Y218 HydrophobicContact CB-CG 4.3Å
93M98Very high96Very high26 Ų2646.9 Ų46.913%0.12823%0.227CC..Hα-helixtrans-65.8-36.9-178.8-72.2-62.2169.600113.2Q62 I65 A66 F89 A90 T95 I96 G97Q62-M93 HydrophobicContact CB-SD 4.41Å; Q62-M93 HydrophobicContact CG-SD 4.4Å; I65-M93 HydrophobicContact CG2-CG 4.1Å; A66-M93 HydrophobicContact CB-CB 3.85Å; F89-M93 HydrophobicContact CD1-CG 4.38Å; F89-M93 HydrophobicContact CD2-CE 4.39Å; F89-M93 HydrophobicContact CE1-CE 4.17Å; F89-M93 HydrophobicContact CE1-CG 4.03Å; F89-M93 HydrophobicContact CE2-CE 3.39Å; F89-M93 HydrophobicContact CE2-CG 4.34Å; F89-M93 HydrophobicContact CZ-CE 3.27Å; F89-M93 HydrophobicContact CZ-CG 4.03Å; F89-M93 HydrophobicContact CZ-SD 4.47Å; F89-M93 WeakPolarHBondContact O-CG 3.26Å; F89-M93 PolarHBondContact O-N 3.16Å; A90-M93 PolarHBondContact O-N 3.35Å; M93-T95 VanDerWaalsContact C-N 3.28Å; M93-T95 PolarHBondContact O-N 3.37Å; M93-I96 PolarHBondContact O-N 3.38Å; M93-I96 HydrophobicContact SD-CD1 4.06Å; M93-G97 PolarHBondContact O-N 3.37Å
94R97.4Very high96.1Very high65 Ų6546.3 Ų46.325%0.24522%0.224CC..Hα-helixtrans-59.8-40.1170.5-71.5-177-178.1103.25.8111.7A66 E67 S70 A90 D91 C92 G97 R98A66-R94 HydrophobicContact CB-CG 3.54Å; E67-R94 IonicContact OE1-CZ 2.69Å; E67-R94 IonicContact OE1-NE 3.69Å; E67-R94 IonicContact OE1-NH2 3.83Å; E67-R94 PolarHBondContact OE1-NH2 3.02Å; S70-R94 PolarHBondContact OG-NH1 3.48Å; S70-R94 PolarHBondContact OG-NH2 3.26Å; A90-R94 WeakPolarHBondContact O-CG 3.43Å; A90-R94 PolarHBondContact O-N 3.13Å; D91-R94 PolarHBondContact O-N 2.96Å; D91-R94 IonicContact OD1-CZ 3.61Å; D91-R94 IonicContact OD1-NH1 2.84Å; D91-R94 PolarHBondContact OD1-NH1 3.25Å; C92-R94 PolarHBondContact O-N 3.43Å; R94-G97 PolarHBondContact O-N 3.4Å; R94-R98 WeakPolarHBondContact O-CG 3.41Å; R94-R98 PolarHBondContact O-N 3.28Å; R94-R98 PolarHBondContact O-NE 3.27Å
95T97.2Very high96.3Very high54 Ų5442.7 Ų42.733%0.33121%0.214SC..Hα-helixtrans-67.9-43.6-179.5-58.80000111.3D91 C92 M93 G97 R98 A99 A214D91-T95 PolarHBondContact O-N 2.91Å; D91-T95 PolarHBondContact O-OG1 3.45Å; C92-T95 WeakPolarHBondContact O-CB 3.47Å; C92-T95 PolarHBondContact O-N 3Å; C92-T95 VanDerWaalsContact O-N 3.11Å; M93-T95 VanDerWaalsContact C-N 3.28Å; M93-T95 PolarHBondContact O-N 3.37Å; T95-G97 VanDerWaalsContact C-N 3.34Å; T95-G97 PolarHBondContact O-N 2.94Å; T95-R98 PolarHBondContact O-N 3.28Å; T95-R98 PolarHBondContact OG1-NH2 2.92Å; T95-A99 PolarHBondContact O-N 2.95Å; T95-A99 VanDerWaalsContact O-N 3.09Å; T95-A214 HydrophobicContact CG2-CB 3.98Å
96I98.1Very high96.3Very high11 Ų1141.3 Ų41.36%0.05621%0.207CC..Hα-helixtrans-61-44.6173.1-60.9169.9000110.7Q62 C92 M93 R98 A99 E100 F207 A211 A214 L215Q62-I96 HydrophobicContact CB-CG2 4.42Å; Q62-I96 HydrophobicContact CG-CB 4.36Å; Q62-I96 HydrophobicContact CG-CG2 3.81Å; C92-I96 WeakPolarHBondContact O-CG1 3.41Å; C92-I96 PolarHBondContact O-N 3.15Å; M93-I96 PolarHBondContact O-N 3.38Å; M93-I96 HydrophobicContact SD-CD1 4.06Å; I96-R98 PolarHBondContact O-N 3.37Å; I96-A99 PolarHBondContact O-N 2.92Å; I96-E100 PolarHBondContact O-N 2.91Å; I96-F207 HydrophobicContact CG2-CE2 3.96Å; I96-F207 HydrophobicContact CG2-CZ 4.34Å; I96-A211 HydrophobicContact CG1-CB 4.11Å; I96-A211 HydrophobicContact CG2-CB 4.06Å; I96-A214 HydrophobicContact CG1-CB 4.05Å; I96-L215 HydrophobicContact CD1-CD2 4.16Å; I96-L215 HydrophobicContact CD1-CG 4.1Å
97G97Very high96.4Very high0 Ų041.2 Ų41.20%021%0.206CC..Hα-helixtrans-61.1-42.8178.500000113.7T60 M93 R94 T95 A99 E100 Q101T60-G97 WeakPolarHBondContact OG1-CA 3.33Å; M93-G97 PolarHBondContact O-N 3.37Å; R94-G97 PolarHBondContact O-N 3.4Å; T95-G97 VanDerWaalsContact C-N 3.34Å; T95-G97 PolarHBondContact O-N 2.94Å; G97-A99 PolarHBondContact O-N 3.32Å; G97-E100 WeakPolarHBondContact O-CB 3.46Å; G97-E100 PolarHBondContact O-N 3.47Å; G97-Q101 WeakPolarHBondContact O-CG 3.31Å; G97-Q101 PolarHBondContact O-N 2.87Å
98R95.7Very high96.5Very high150 Ų15040.3 Ų40.357%0.56621%0.205SC*.Hα-helixtrans-61.6-42.1173.6-75.4-177.3-71.5-165.11112.5R94 T95 I96 E100 Q101 E102R94-R98 WeakPolarHBondContact O-CG 3.41Å; R94-R98 PolarHBondContact O-N 3.28Å; R94-R98 PolarHBondContact O-NE 3.27Å; T95-R98 PolarHBondContact O-N 3.28Å; T95-R98 PolarHBondContact OG1-NH2 2.92Å; I96-R98 PolarHBondContact O-N 3.37Å; R98-E100 VanDerWaalsContact C-N 3.3Å; R98-E100 PolarHBondContact O-N 3.49Å; R98-Q101 WeakPolarHBondContact O-CB 3.41Å; R98-Q101 PolarHBondContact O-N 2.97Å; R98-E102 PolarHBondContact O-N 2.95Å
99A96.8Very high96.4Very high10 Ų1044.8 Ų44.88%0.08322%0.224CC..Hα-helixtrans-63.9-36.2176.100000112.2T95 I96 G97 E102 M103 F207 A210T95-A99 PolarHBondContact O-N 2.95Å; T95-A99 VanDerWaalsContact O-N 3.09Å; I96-A99 PolarHBondContact O-N 2.92Å; G97-A99 PolarHBondContact O-N 3.32Å; A99-E102 PolarHBondContact O-N 3.34Å; A99-M103 WeakPolarHBondContact O-CB 3.22Å; A99-M103 PolarHBondContact O-N 2.91Å; A99-F207 HydrophobicContact CB-CD2 3.95Å; A99-A210 HydrophobicContact CB-CB 3.71Å
100E96.9Very high96.3Very high33 Ų3345.4 Ų45.415%0.15423%0.229CC..Hα-helixtrans-66.2-41.8174.9-172.4-177.9-175.400111.6P54 T60 Q62 I96 G97 R98 M103 G104 F207P54-E100 HydrophobicContact CG-CG 4.13Å; P54-E100 WeakPolarHBondContact CG-O 3.42Å; T60-E100 WeakPolarHBondContact CB-OE2 3.33Å; T60-E100 HydrophobicContact CG2-CB 4.22Å; T60-E100 HydrophobicContact CG2-CG 4.26Å; T60-E100 PolarHBondContact OG1-OE2 3.3Å; T60-E100 VanDerWaalsContact OG1-OE2 3.13Å; Q62-E100 PolarHBondContact NE2-OE2 3.43Å; Q62-E100 PolarHBondContact OE1-OE2 3.34Å; I96-E100 PolarHBondContact O-N 2.91Å; G97-E100 WeakPolarHBondContact O-CB 3.46Å; G97-E100 PolarHBondContact O-N 3.47Å; R98-E100 VanDerWaalsContact C-N 3.3Å; R98-E100 PolarHBondContact O-N 3.49Å; E100-M103 HydrophobicContact CG-CE 4.26Å; E100-M103 WeakPolarHBondContact O-CB 3.49Å; E100-M103 PolarHBondContact O-N 2.94Å; E100-G104 PolarHBondContact O-N 3.36Å; E100-F207 HydrophobicContact CB-CD2 4.06Å; E100-F207 HydrophobicContact CB-CE2 3.69Å; E100-F207 HydrophobicContact CB-CZ 4.41Å; E100-F207 HydrophobicContact CG-CE2 4.34Å
101Q95.5Very high96.2Very high42 Ų4245.4 Ų45.420%0.19623%0.229CC..Hα-helixtrans-60.2-46.5173.4-67-71.1-2.700111.5T58 T60 E63 G97 R98 M103 G104 V105T58-Q101 PolarHBondContact O-NE2 3.04Å; T60-Q101 HydrophobicContact CG2-CG 3.76Å; E63-Q101 PolarHBondContact OE2-NE2 3.41Å; G97-Q101 WeakPolarHBondContact O-CG 3.31Å; G97-Q101 PolarHBondContact O-N 2.87Å; R98-Q101 WeakPolarHBondContact O-CB 3.41Å; R98-Q101 PolarHBondContact O-N 2.97Å; Q101-M103 VanDerWaalsContact C-N 3.33Å; Q101-M103 PolarHBondContact O-N 3.44Å; Q101-G104 WeakPolarHBondContact O-CA 3.38Å; Q101-G104 PolarHBondContact O-N 2.93Å; Q101-G104 VanDerWaalsContact O-N 3.08Å; Q101-V105 WeakPolarHBondContact O-CG2 3.28Å; Q101-V105 PolarHBondContact O-N 2.94Å
102E95.1Very high96.2Very high127 Ų12741.9 Ų41.959%0.59321%0.211SC*.Hα-helixtrans-61.7-41178.1-174.7178.9178.200111.8R98 A99 G104 V105 N106R98-E102 PolarHBondContact O-N 2.95Å; A99-E102 PolarHBondContact O-N 3.34Å; E102-G104 VanDerWaalsContact C-N 3.33Å; E102-G104 PolarHBondContact O-N 3.42Å; E102-V105 PolarHBondContact O-N 3.38Å; E102-N106 WeakPolarHBondContact O-CB 3.37Å; E102-N106 PolarHBondContact O-N 3.44Å; E102-N106 PolarHBondContact O-ND2 2.92Å
103M96.4Very high96.1Very high5 Ų549.1 Ų49.13%0.02524%0.237CC..Hα-helixtrans-59.6-43.6171.1177.8-1637100111.6Y52 A99 E100 Q101 N106 T107 A203 M204 F207Y52-M103 HydrophobicContact CD1-CE 4.46Å; Y52-M103 HydrophobicContact CE1-CE 3.69Å; Y52-M103 HydrophobicContact CE1-SD 4.19Å; A99-M103 WeakPolarHBondContact O-CB 3.22Å; A99-M103 PolarHBondContact O-N 2.91Å; E100-M103 HydrophobicContact CG-CE 4.26Å; E100-M103 WeakPolarHBondContact O-CB 3.49Å; E100-M103 PolarHBondContact O-N 2.94Å; Q101-M103 VanDerWaalsContact C-N 3.33Å; Q101-M103 PolarHBondContact O-N 3.44Å; M103-N106 PolarHBondContact O-N 3.23Å; M103-T107 VanDerWaalsContact O-CB 3.26Å; M103-T107 WeakPolarHBondContact O-CB 3.32Å; M103-T107 PolarHBondContact O-N 2.96Å; M103-T107 PolarHBondContact O-OG1 3.41Å; M103-A203 HydrophobicContact CG-CB 4.05Å; M103-M204 HydrophobicContact SD-CG 4.06Å; M103-F207 HydrophobicContact CB-CB 3.94Å; M103-F207 HydrophobicContact CG-CB 4.18Å; M103-F207 HydrophobicContact SD-CB 3.82Å; M103-F207 HydrophobicContact SD-CD1 3.97Å; M103-F207 HydrophobicContact SD-CG 3.98Å
104G96.2Very high95.8Very high5 Ų550.1 Ų50.15%0.05224%0.244CC..Hα-helixtrans-59.4-47.6176.600000112.7E100 Q101 E102 T107 A108E100-G104 PolarHBondContact O-N 3.36Å; Q101-G104 WeakPolarHBondContact O-CA 3.38Å; Q101-G104 PolarHBondContact O-N 2.93Å; Q101-G104 VanDerWaalsContact O-N 3.08Å; E102-G104 VanDerWaalsContact C-N 3.33Å; E102-G104 PolarHBondContact O-N 3.42Å; G104-T107 PolarHBondContact O-N 3.34Å; G104-A108 WeakPolarHBondContact O-CB 3.48Å; G104-A108 PolarHBondContact O-N 3.45Å
105V94.5Very high95.7Very high75 Ų7547.1 Ų47.146%0.45523%0.233SC..Hα-helixtrans-61.4-50.6176.41740000111Q101 E102 T107 A108 E109Q101-V105 WeakPolarHBondContact O-CG2 3.28Å; Q101-V105 PolarHBondContact O-N 2.94Å; E102-V105 PolarHBondContact O-N 3.38Å; V105-T107 VanDerWaalsContact C-N 3.28Å; V105-T107 PolarHBondContact O-N 3.25Å; V105-A108 WeakPolarHBondContact O-CB 3.44Å; V105-A108 PolarHBondContact O-N 3.46Å; V105-A108 VanDerWaalsContact O-N 3.09Å; V105-E109 PolarHBondContact O-N 3.44Å
106N94.9Very high95.6Very high49 Ų4949.2 Ų49.226%0.26224%0.238SC..Hα-helixtrans-58.9-40.2179-81.3-46.4000112.3E102 M103 E109 N110 A203E102-N106 WeakPolarHBondContact O-CB 3.37Å; E102-N106 PolarHBondContact O-N 3.44Å; E102-N106 PolarHBondContact O-ND2 2.92Å; M103-N106 PolarHBondContact O-N 3.23Å; N106-E109 PolarHBondContact O-N 3.44Å; N106-N110 VanDerWaalsContact O-CB 3.31Å; N106-N110 WeakPolarHBondContact O-CB 3.44Å; N106-N110 PolarHBondContact O-N 3.1Å; N106-N110 PolarHBondContact O-ND2 3.44Å; N106-A203 HydrophobicContact CB-CB 4.23Å
107T97.2Very high95.3Very high0 Ų054 Ų540%026%0.26CS..Hα-helixtrans-66.9-40.8176.7-59.10000111.2I49 I53 M103 G104 V105 E109 T111 L112 F200I49-T107 HydrophobicContact CG2-CG2 3.35Å; I53-T107 HydrophobicContact CG2-CG2 3.78Å; M103-T107 VanDerWaalsContact O-CB 3.26Å; M103-T107 WeakPolarHBondContact O-CB 3.32Å; M103-T107 PolarHBondContact O-N 2.96Å; M103-T107 PolarHBondContact O-OG1 3.41Å; G104-T107 PolarHBondContact O-N 3.34Å; V105-T107 VanDerWaalsContact C-N 3.28Å; V105-T107 PolarHBondContact O-N 3.25Å; T107-E109 PolarHBondContact O-N 3.29Å; T107-T111 HydrophobicContact CG2-CG2 4.45Å; T107-T111 WeakPolarHBondContact O-CA 3.32Å; T107-T111 VanDerWaalsContact O-CB 3.24Å; T107-T111 WeakPolarHBondContact O-CB 3.39Å; T107-T111 PolarHBondContact O-N 3Å; T107-T111 VanDerWaalsContact O-N 3.11Å; T107-L112 HydrophobicContact CG2-CG 4.43Å; T107-L112 PolarHBondContact O-N 2.86Å; T107-F200 HydrophobicContact CG2-CD2 3.49Å; T107-F200 VanDerWaalsContact CG2-CD2 3.49Å; T107-F200 HydrophobicContact CG2-CE2 3.83Å
108A95.1Very high95.1Very high42 Ų4254.7 Ų54.735%0.34726%0.263SS..Iπ-helixtrans-61.2-44.8176.400000112.1G104 V105 R113G104-A108 WeakPolarHBondContact O-CB 3.48Å; G104-A108 PolarHBondContact O-N 3.45Å; V105-A108 WeakPolarHBondContact O-CB 3.44Å; V105-A108 PolarHBondContact O-N 3.46Å; V105-A108 VanDerWaalsContact O-N 3.09Å; A108-R113 PolarHBondContact O-N 3.37Å
109E93.5Very high94.6Very high104 Ų10448.4 Ų48.449%0.48624%0.242SC..Iπ-helixtrans-80.1-40-173.8-68.5-177.4170.800114.3V105 N106 T107 R113V105-E109 PolarHBondContact O-N 3.44Å; N106-E109 PolarHBondContact O-N 3.44Å; T107-E109 PolarHBondContact O-N 3.29Å; E109-R113 WeakPolarHBondContact O-CB 3.37Å; E109-R113 PolarHBondContact O-NE 3.23Å; E109-R113 PolarHBondContact O-NH2 2.89Å
110N94.9Very high94.3Very high70 Ų7055.2 Ų55.237%0.37427%0.269SS..Iπ-helixtrans-104.8-17.7-169.4-59.2-56.9000113.7N106 A199N106-N110 VanDerWaalsContact O-CB 3.31Å; N106-N110 WeakPolarHBondContact O-CB 3.44Å; N106-N110 PolarHBondContact O-N 3.1Å; N106-N110 PolarHBondContact O-ND2 3.44Å; N110-A199 HydrophobicContact CB-CB 4.19Å
111T96.4Very high94Very high0 Ų057.3 Ų57.30%028%0.282CS..Iπ-helixtrans-112.8-65.7179.9-61.80000110I49 T107 R113 V114 M115 A196 F200I49-T111 HydrophobicContact CD1-CG2 3.9Å; T107-T111 HydrophobicContact CG2-CG2 4.45Å; T107-T111 WeakPolarHBondContact O-CA 3.32Å; T107-T111 VanDerWaalsContact O-CB 3.24Å; T107-T111 WeakPolarHBondContact O-CB 3.39Å; T107-T111 PolarHBondContact O-N 3Å; T107-T111 VanDerWaalsContact O-N 3.11Å; T111-R113 PolarHBondContact O-N 3.41Å; T111-V114 PolarHBondContact O-N 3.42Å; T111-M115 HydrophobicContact CG2-CE 3.49Å; T111-M115 VanDerWaalsContact CG2-CE 3.49Å; T111-M115 HydrophobicContact CG2-SD 4.24Å; T111-M115 WeakPolarHBondContact O-CG 3.18Å; T111-M115 PolarHBondContact O-N 3Å; T111-M115 VanDerWaalsContact O-N 3.15Å; T111-A196 HydrophobicContact CG2-CB 4.41Å; T111-A196 WeakPolarHBondContact CG2-O 3.29Å; T111-A196 PolarHBondContact OG1-O 3.04Å; T111-F200 HydrophobicContact CG2-CB 3.85Å; T111-F200 PolarHBondContact OG1-N 3.39Å
112L96.3Very high93.9Very high4 Ų457.2 Ų57.22%0.02128%0.282CS..Iπ-helixtrans-65.2-38.5-172.3-70.9176.4000113I46 I49 N50 I53 T107 V114 M115 K116I46-L112 HydrophobicContact CB-CD2 4.29Å; I46-L112 HydrophobicContact CG1-CD2 4.24Å; I46-L112 HydrophobicContact CG2-CD2 4.12Å; I49-L112 HydrophobicContact CB-CD2 3.84Å; I49-L112 HydrophobicContact CD1-CD2 4.45Å; I49-L112 HydrophobicContact CG2-CD1 4Å; I49-L112 HydrophobicContact CG2-CD2 3.66Å; I49-L112 HydrophobicContact CG2-CG 3.83Å; N50-L112 WeakPolarHBondContact OD1-CD1 3.37Å; I53-L112 HydrophobicContact CD1-CD1 3.67Å; T107-L112 HydrophobicContact CG2-CG 4.43Å; T107-L112 PolarHBondContact O-N 2.86Å; L112-V114 VanDerWaalsContact C-N 3.35Å; L112-V114 PolarHBondContact O-N 3.35Å; L112-M115 PolarHBondContact O-N 3.07Å; L112-K116 VanDerWaalsContact O-CB 3.31Å; L112-K116 WeakPolarHBondContact O-CB 3.47Å; L112-K116 WeakPolarHBondContact O-CG 3.41Å; L112-K116 PolarHBondContact O-N 3.45Å
113R94.1Very high93.8Very high160 Ų16052.4 Ų52.460%0.60426%0.259SS*.Hα-helixtrans-58.6-46.3176.6-177175.859.8154.41.2111.8A108 E109 T111 K116 E117A108-R113 PolarHBondContact O-N 3.37Å; E109-R113 WeakPolarHBondContact O-CB 3.37Å; E109-R113 PolarHBondContact O-NE 3.23Å; E109-R113 PolarHBondContact O-NH2 2.89Å; T111-R113 PolarHBondContact O-N 3.41Å; R113-K116 PolarHBondContact O-N 3.02Å; R113-E117 PolarHBondContact O-N 2.9Å
114V92.5Very high93.7Very high46 Ų4655.4 Ų55.428%0.27928%0.275SS..Hα-helixtrans-63.5-47.3-179.7178.40000110.6T111 L112 K116 E117 N192 A196T111-V114 PolarHBondContact O-N 3.42Å; L112-V114 VanDerWaalsContact C-N 3.35Å; L112-V114 PolarHBondContact O-N 3.35Å; V114-K116 VanDerWaalsContact C-N 3.35Å; V114-K116 PolarHBondContact O-N 2.54Å; V114-E117 WeakPolarHBondContact O-CB 3.47Å; V114-E117 PolarHBondContact O-N 3.32Å; V114-N192 HydrophobicContact CG1-CB 4.33Å; V114-A196 HydrophobicContact CB-CB 4.32Å; V114-A196 HydrophobicContact CG1-CB 4.31Å
115M95.1Very high93.7Very high2 Ų258.4 Ų58.41%0.0129%0.292CS..Hα-helixtrans-62.9-40.9178.1-61.8-176.5-175.400112T42 T45 I46 I49 T111 L112 E117 F118 S119 Q193 A196 N197T42-M115 HydrophobicContact CG2-CB 3.9Å; T42-M115 HydrophobicContact CG2-CG 4.45Å; T45-M115 HydrophobicContact CG2-CE 4.32Å; T45-M115 HydrophobicContact CG2-SD 4.14Å; I46-M115 HydrophobicContact CD1-CB 3.71Å; I46-M115 HydrophobicContact CG1-CB 3.67Å; I46-M115 HydrophobicContact CG1-SD 4.13Å; I49-M115 HydrophobicContact CD1-CE 4.23Å; I49-M115 HydrophobicContact CD1-SD 4.33Å; T111-M115 HydrophobicContact CG2-CE 3.49Å; T111-M115 VanDerWaalsContact CG2-CE 3.49Å; T111-M115 HydrophobicContact CG2-SD 4.24Å; T111-M115 WeakPolarHBondContact O-CG 3.18Å; T111-M115 PolarHBondContact O-N 3Å; T111-M115 VanDerWaalsContact O-N 3.15Å; L112-M115 PolarHBondContact O-N 3.07Å; M115-E117 VanDerWaalsContact C-N 3.31Å; M115-E117 PolarHBondContact O-N 3.15Å; M115-F118 PolarHBondContact O-N 3.44Å; M115-S119 PolarHBondContact O-N 3.02Å; M115-Q193 PolarHBondContact SD-NE2 2.7Å; M115-Q193 VanDerWaalsContact SD-NE2 3.41Å; M115-A196 HydrophobicContact CE-CB 3.64Å; M115-A196 HydrophobicContact CG-CB 4.09Å; M115-N197 WeakPolarHBondContact CE-OD1 3.38Å
116K95Very high93.8Very high98 Ų9854.9 Ų54.943%0.42627%0.271SS..Hα-helixtrans-67.8-29.3177.8-74.2173.7-177.2176.40112.8I46 L112 R113 V114 S119 K120I46-K116 HydrophobicContact CD1-CG 3.89Å; I46-K116 HydrophobicContact CG2-CG 4.45Å; L112-K116 VanDerWaalsContact O-CB 3.31Å; L112-K116 WeakPolarHBondContact O-CB 3.47Å; L112-K116 WeakPolarHBondContact O-CG 3.41Å; L112-K116 PolarHBondContact O-N 3.45Å; R113-K116 PolarHBondContact O-N 3.02Å; V114-K116 VanDerWaalsContact C-N 3.35Å; V114-K116 PolarHBondContact O-N 2.54Å; K116-S119 PolarHBondContact O-N 2.96Å; K116-K120 WeakPolarHBondContact O-CB 3.16Å; K116-K120 PolarHBondContact O-N 2.86Å
117E92.5Very high93.8Very high112 Ų11257.1 Ų57.152%0.52328%0.278SS..Hα-helixtrans-63.5-42.4177.4-169.4174.8177.300111.8R113 V114 M115 S119 K120 N121R113-E117 PolarHBondContact O-N 2.9Å; V114-E117 WeakPolarHBondContact O-CB 3.47Å; V114-E117 PolarHBondContact O-N 3.32Å; M115-E117 VanDerWaalsContact C-N 3.31Å; M115-E117 PolarHBondContact O-N 3.15Å; E117-S119 VanDerWaalsContact C-N 3.33Å; E117-S119 PolarHBondContact O-N 3.3Å; E117-K120 PolarHBondContact O-N 3.19Å; E117-N121 WeakPolarHBondContact CG-ND2 3.47Å; E117-N121 WeakPolarHBondContact O-CB 3.31Å; E117-N121 PolarHBondContact O-N 3.43Å
118F91.9Very high93.8Very high14 Ų1464.5 Ų64.56%0.06131%0.31CS..Iπ-helixtrans-56.4-49171.5170.8-103.3000111.2F35 F38 K39 T42 M115 K120 E122 F123 H189F35-F118 HydrophobicContact CE1-CE2 4.2Å; F35-F118 AromaticContact CE1-CZ 3.99Å; F35-F118 HydrophobicContact CE1-CZ 3.99Å; F35-F118 HydrophobicContact CE2-CE2 4.1Å; F35-F118 HydrophobicContact CE2-CZ 4.4Å; F35-F118 AromaticContact CZ-CE2 3.65Å; F35-F118 HydrophobicContact CZ-CE2 3.65Å; F35-F118 AromaticContact CZ-CZ 3.9Å; F35-F118 HydrophobicContact CZ-CZ 3.9Å; F38-F118 HydrophobicContact CD1-CD1 4.15Å; F38-F118 AromaticContact CD1-CE1 3.47Å; F38-F118 HydrophobicContact CD1-CE1 3.47Å; F38-F118 VanDerWaalsContact CD1-CE1 3.47Å; F38-F118 HydrophobicContact CD1-CE2 4.03Å; F38-F118 AromaticContact CD1-CZ 3.41Å; F38-F118 HydrophobicContact CD1-CZ 3.41Å; F38-F118 VanDerWaalsContact CD1-CZ 3.41Å; F38-F118 AromaticContact CE1-CD1 3.79Å; F38-F118 HydrophobicContact CE1-CD1 3.79Å; F38-F118 HydrophobicContact CE1-CD2 4.09Å; F38-F118 AromaticContact CE1-CE1 3.59Å; F38-F118 HydrophobicContact CE1-CE1 3.59Å; F38-F118 AromaticContact CE1-CE2 3.9Å; F38-F118 HydrophobicContact CE1-CE2 3.9Å; F38-F118 HydrophobicContact CE1-CG 4.04Å; F38-F118 AromaticContact CE1-CZ 3.67Å; F38-F118 HydrophobicContact CE1-CZ 3.67Å; K39-F118 HydrophobicContact CB-CE1 3.93Å; K39-F118 HydrophobicContact CD-CD1 4.18Å; K39-F118 HydrophobicContact CD-CE1 3.76Å; K39-F118 HydrophobicContact CG-CE1 4.47Å; T42-F118 HydrophobicContact CG2-CD1 4.44Å; M115-F118 PolarHBondContact O-N 3.44Å; F118-K120 VanDerWaalsContact C-N 3.33Å; F118-K120 PolarHBondContact O-N 2.94Å; F118-E122 HydrophobicContact CD2-CB 3.83Å; F118-E122 HydrophobicContact CD2-CG 4.45Å; F118-E122 HydrophobicContact CE2-CB 4.12Å; F118-E122 PolarHBondContact O-N 3.26Å; F118-F123 PolarHBondContact O-N 2.97Å; F118-H189 HydrophobicContact CD2-CB 3.96Å; F118-H189 AromaticContact CD2-CD2 3.92Å; F118-H189 AromaticContact CD2-CG 3.55Å; F118-H189 AromaticContact CD2-ND1 3.63Å; F118-H189 HydrophobicContact CE2-CB 4.05Å; F118-H189 AromaticContact CE2-CD2 3.63Å; F118-H189 AromaticContact CE2-CG 3.66Å
119S86.5Confident93.9Very high18 Ų1863 Ų6313%0.12630%0.297CS..Iπ-helixtrans-64.1-34.9-178.4-73.60000113.7K39 D43 M115 K116 E117K39-S119 VanDerWaalsContact CD-OG 3.31Å; K39-S119 WeakPolarHBondContact CD-OG 3.39Å; K39-S119 VanDerWaalsContact CE-CB 3.47Å; K39-S119 WeakPolarHBondContact CE-OG 3.33Å; K39-S119 PolarHBondContact NZ-OG 3.34Å; K39-S119 VanDerWaalsContact NZ-OG 3.07Å; D43-S119 PolarHBondContact OD1-OG 3.19Å; M115-S119 PolarHBondContact O-N 3.02Å; K116-S119 PolarHBondContact O-N 2.96Å; E117-S119 VanDerWaalsContact C-N 3.33Å; E117-S119 PolarHBondContact O-N 3.3Å
120K90Very high94Very high153 Ų15360.6 Ų60.667%0.66529%0.285SS*.Iπ-helixtrans-85.7-41.5-176-174.6-178.8177.3-175.90113.3K116 E117 F118K116-K120 WeakPolarHBondContact O-CB 3.16Å; K116-K120 PolarHBondContact O-N 2.86Å; E117-K120 PolarHBondContact O-N 3.19Å; F118-K120 VanDerWaalsContact C-N 3.33Å; F118-K120 PolarHBondContact O-N 2.94Å
121N91Very high94.1Very high78 Ų7860.7 Ų60.742%0.41729%0.288SS..Iπ-helixtrans-98.5-59.5-171.4-64.1-21.1000110.6E117 V125E117-N121 WeakPolarHBondContact CG-ND2 3.47Å; E117-N121 WeakPolarHBondContact O-CB 3.31Å; E117-N121 PolarHBondContact O-N 3.43Å; N121-V125 WeakPolarHBondContact O-CG2 3.32Å; N121-V125 PolarHBondContact O-N 2.7Å
122E92.1Very high94Very high40 Ų4062 Ų6219%0.18730%0.3CS..Iπ-helixtrans-76-41.5-168.2-62.2-75.6-169.200111.7F118 D124 V125 Y126 R185 H189F118-E122 HydrophobicContact CD2-CB 3.83Å; F118-E122 HydrophobicContact CD2-CG 4.45Å; F118-E122 HydrophobicContact CE2-CB 4.12Å; F118-E122 PolarHBondContact O-N 3.26Å; E122-D124 VanDerWaalsContact C-N 3.33Å; E122-D124 PolarHBondContact O-N 3.01Å; E122-V125 PolarHBondContact O-N 3.23Å; E122-Y126 PolarHBondContact O-N 3.34Å; E122-R185 VanDerWaalsContact CD-NH1 3.32Å; E122-R185 IonicContact OE1-CZ 3.77Å; E122-R185 IonicContact OE1-NH1 2.74Å; E122-R185 PolarHBondContact OE1-NH1 2.94Å; E122-R185 IonicContact OE1-NH2 3.27Å; E122-R185 PolarHBondContact OE1-NH2 3.47Å; E122-R185 IonicContact OE2-CZ 2.85Å; E122-R185 IonicContact OE2-NH1 3.98Å; E122-R185 PolarHBondContact OE2-NH1 3.1Å; E122-H189 VanDerWaalsContact CG-CE1 3.44Å; E122-H189 WeakPolarHBondContact CG-CE1 3.27Å; E122-H189 IonicContact OE1-CE1 3.76Å
123F94.1Very high94Very high26 Ų2661.9 Ų61.911%0.11430%0.299CS..Hα-helixtrans-69.3-30.9178-165.7-107.6000113.1F35 E36 K39 F118 Y126 K127F35-F123 HydrophobicContact CD1-CD2 4.06Å; F35-F123 HydrophobicContact CD1-CE2 4.3Å; F35-F123 AromaticContact CE1-CD2 3.83Å; F35-F123 HydrophobicContact CE1-CD2 3.83Å; E36-F123 HydrophobicContact CG-CE2 4.37Å; K39-F123 HydrophobicContact CB-CD2 3.65Å; K39-F123 HydrophobicContact CB-CE2 3.57Å; K39-F123 HydrophobicContact CB-CG 4.27Å; K39-F123 HydrophobicContact CB-CZ 4.09Å; K39-F123 HydrophobicContact CD-CB 3.87Å; K39-F123 HydrophobicContact CD-CD1 3.87Å; K39-F123 HydrophobicContact CD-CD2 3.86Å; K39-F123 HydrophobicContact CD-CE1 4.34Å; K39-F123 HydrophobicContact CD-CE2 4.38Å; K39-F123 HydrophobicContact CD-CG 3.59Å; K39-F123 HydrophobicContact CG-CD1 3.85Å; K39-F123 HydrophobicContact CG-CD2 3.62Å; K39-F123 HydrophobicContact CG-CE1 3.81Å; K39-F123 HydrophobicContact CG-CE2 3.63Å; K39-F123 HydrophobicContact CG-CG 3.74Å; K39-F123 HydrophobicContact CG-CZ 3.72Å; F118-F123 PolarHBondContact O-N 2.97Å; F123-Y126 AromaticContact CD2-CD1 3.94Å; F123-Y126 HydrophobicContact CD2-CD1 3.94Å; F123-Y126 AromaticContact CE2-CD1 3.65Å; F123-Y126 HydrophobicContact CE2-CD1 3.65Å; F123-Y126 AromaticContact CE2-CE1 3.97Å; F123-Y126 HydrophobicContact CE2-CE1 3.97Å; F123-Y126 HydrophobicContact CZ-CD1 4.23Å; F123-Y126 HydrophobicContact CZ-CE1 4.41Å; F123-Y126 WeakPolarHBondContact O-CB 3.45Å; F123-Y126 PolarHBondContact O-N 3.31Å; F123-K127 HydrophobicContact CD1-CD 4.32Å; F123-K127 VanDerWaalsContact CD1-CE 3.43Å; F123-K127 HydrophobicContact CD1-CG 4.29Å; F123-K127 HydrophobicContact CE1-CD 4.29Å; F123-K127 HydrophobicContact CE1-CG 4.15Å; F123-K127 WeakPolarHBondContact O-CG 3.43Å; F123-K127 PolarHBondContact O-N 3.17Å
124D93.9Very high94Very high67 Ų6758.5 Ų58.536%0.35829%0.29SS..Hα-helixtrans-73-33174.9-82.1-9.2000112.1E122 K127 K128E122-D124 VanDerWaalsContact C-N 3.33Å; E122-D124 PolarHBondContact O-N 3.01Å; D124-K127 PolarHBondContact O-N 2.77Å; D124-K127 IonicContact OD1-NZ 2.65Å; D124-K127 PolarHBondContact OD1-NZ 2.89Å; D124-K128 WeakPolarHBondContact O-CG 3.34Å; D124-K128 PolarHBondContact O-N 3.27Å; D124-K128 VanDerWaalsContact O-N 3.13Å
125V95.5Very high94.1Very high68 Ų6858.6 Ų58.641%0.41229%0.289SS..Hα-helixtrans-62.8-45.7168.6171.50000110.3N121 E122 K127 K128 A129 I182N121-V125 WeakPolarHBondContact O-CG2 3.32Å; N121-V125 PolarHBondContact O-N 2.7Å; E122-V125 PolarHBondContact O-N 3.23Å; V125-K127 PolarHBondContact O-N 3.1Å; V125-K128 PolarHBondContact O-N 2.86Å; V125-A129 PolarHBondContact O-N 3.09Å; V125-I182 HydrophobicContact CG1-CD1 3.68Å; V125-I182 HydrophobicContact CG1-CG1 4.1Å
126Y96.9Very high94Very high2 Ų258.7 Ų58.71%0.00829%0.29CS..Hα-helixtrans-56.5-47.8173.5169.1-102.5000112.6M32 F35 E36 E122 F123 K128 A129 K130 L179 I182 V183M32-Y126 WeakPolarHBondContact CB-OH 3.39Å; M32-Y126 HydrophobicContact CG-CE2 4.41Å; F35-Y126 AromaticContact CD1-CD1 3.91Å; F35-Y126 HydrophobicContact CD1-CD1 3.91Å; F35-Y126 AromaticContact CD1-CD2 3.76Å; F35-Y126 HydrophobicContact CD1-CD2 3.76Å; F35-Y126 HydrophobicContact CD1-CE1 4.33Å; F35-Y126 HydrophobicContact CD1-CE2 4.2Å; F35-Y126 AromaticContact CD1-CG 3.61Å; F35-Y126 HydrophobicContact CD1-CG 3.61Å; F35-Y126 VanDerWaalsContact CE1-CB 3.47Å; F35-Y126 HydrophobicContact CE1-CD1 4.13Å; F35-Y126 HydrophobicContact CE1-CD2 4.04Å; F35-Y126 AromaticContact CE1-CG 3.61Å; F35-Y126 HydrophobicContact CE1-CG 3.61Å; F35-Y126 HydrophobicContact CG-CD2 4.43Å; E36-Y126 VanDerWaalsContact CD-OH 3.3Å; E36-Y126 HydrophobicContact CG-CE1 3.71Å; E36-Y126 WeakPolarHBondContact OE1-CE1 3.38Å; E36-Y126 PolarHBondContact OE1-OH 3.37Å; E122-Y126 PolarHBondContact O-N 3.34Å; F123-Y126 AromaticContact CD2-CD1 3.94Å; F123-Y126 HydrophobicContact CD2-CD1 3.94Å; F123-Y126 AromaticContact CE2-CD1 3.65Å; F123-Y126 HydrophobicContact CE2-CD1 3.65Å; F123-Y126 AromaticContact CE2-CE1 3.97Å; F123-Y126 HydrophobicContact CE2-CE1 3.97Å; F123-Y126 HydrophobicContact CZ-CD1 4.23Å; F123-Y126 HydrophobicContact CZ-CE1 4.41Å; F123-Y126 WeakPolarHBondContact O-CB 3.45Å; F123-Y126 PolarHBondContact O-N 3.31Å; Y126-K128 VanDerWaalsContact C-N 3.31Å; Y126-K128 PolarHBondContact O-N 3.36Å; Y126-A129 PolarHBondContact O-N 3.5Å; Y126-K130 HydrophobicContact CE1-CD 4.1Å; Y126-K130 WeakPolarHBondContact O-CB 3.48Å; Y126-K130 PolarHBondContact O-N 3.05Å; Y126-L179 HydrophobicContact CD2-CD1 3.69Å; Y126-L179 HydrophobicContact CE2-CD1 3.67Å; Y126-I182 HydrophobicContact CD2-CG2 4.46Å; Y126-V183 HydrophobicContact CD2-CG1 3.66Å; Y126-V183 HydrophobicContact CE2-CG1 3.47Å; Y126-V183 VanDerWaalsContact CE2-CG1 3.47Å
127K96.1Very high93.9Very high96 Ų9654.3 Ų54.342%0.41727%0.272SS..Hα-helixtrans-57.5-42.7177.2-76.1176.9-169.8155.10112.4F123 D124 V125 T131F123-K127 HydrophobicContact CD1-CD 4.32Å; F123-K127 VanDerWaalsContact CD1-CE 3.43Å; F123-K127 HydrophobicContact CD1-CG 4.29Å; F123-K127 HydrophobicContact CE1-CD 4.29Å; F123-K127 HydrophobicContact CE1-CG 4.15Å; F123-K127 WeakPolarHBondContact O-CG 3.43Å; F123-K127 PolarHBondContact O-N 3.17Å; D124-K127 PolarHBondContact O-N 2.77Å; D124-K127 IonicContact OD1-NZ 2.65Å; D124-K127 PolarHBondContact OD1-NZ 2.89Å; V125-K127 PolarHBondContact O-N 3.1Å; K127-T131 WeakPolarHBondContact O-CB 3.42Å; K127-T131 PolarHBondContact O-N 3.31Å; K127-T131 PolarHBondContact O-OG1 3.23Å
128K96.4Very high93.9Very high155 Ų15549.7 Ų49.767%0.67425%0.25SS*.Hα-helixtrans-64.4-46.5178.2-72.4172.6-177.2173.20111D124 V125 Y126 T131 A132D124-K128 WeakPolarHBondContact O-CG 3.34Å; D124-K128 PolarHBondContact O-N 3.27Å; D124-K128 VanDerWaalsContact O-N 3.13Å; V125-K128 PolarHBondContact O-N 2.86Å; Y126-K128 VanDerWaalsContact C-N 3.31Å; Y126-K128 PolarHBondContact O-N 3.36Å; K128-T131 PolarHBondContact O-N 3.24Å; K128-A132 WeakPolarHBondContact O-CB 3.41Å; K128-A132 PolarHBondContact O-N 3.13Å
129A96.9Very high93.9Very high10 Ų1051 Ų518%0.08326%0.258CS..Hα-helixtrans-63.7-44.1176.900000112.2V125 Y126 T131 A132 L133 L179 I182V125-A129 PolarHBondContact O-N 3.09Å; Y126-A129 PolarHBondContact O-N 3.5Å; A129-T131 VanDerWaalsContact C-N 3.33Å; A129-T131 PolarHBondContact O-N 2.98Å; A129-A132 WeakPolarHBondContact O-CB 3.25Å; A129-A132 PolarHBondContact O-N 2.8Å; A129-A132 VanDerWaalsContact O-N 3.14Å; A129-L133 PolarHBondContact O-N 3.36Å; A129-L179 HydrophobicContact CB-CB 4.47Å; A129-L179 HydrophobicContact CB-CD1 3.79Å; A129-I182 HydrophobicContact CB-CD1 3.38Å
130K96.4Very high94.2Very high53 Ų5350.1 Ų50.123%0.2325%0.252CS..Hα-helixtrans-59-44.3175.4-177.6178-178.9177.30111.3M32 E36 Y126 L133 Q134 L179M32-K130 HydrophobicContact CE-CD 3.84Å; M32-K130 HydrophobicContact CE-CG 3.88Å; E36-K130 IonicContact OE1-NZ 3.38Å; E36-K130 PolarHBondContact OE1-NZ 3.49Å; E36-K130 IonicContact OE2-NZ 2.98Å; Y126-K130 HydrophobicContact CE1-CD 4.1Å; Y126-K130 WeakPolarHBondContact O-CB 3.48Å; Y126-K130 PolarHBondContact O-N 3.05Å; K130-L133 PolarHBondContact O-N 3.38Å; K130-Q134 VanDerWaalsContact O-CG 3.3Å; K130-Q134 WeakPolarHBondContact O-CG 3.33Å; K130-Q134 PolarHBondContact O-N 2.91Å; K130-L179 HydrophobicContact CB-CD1 4.21Å
131T95.5Very high94.3Very high72 Ų7243 Ų4344%0.44222%0.221SC..Hα-helixtrans-64.5-39.9176-56.40000111.6K127 K128 A129 N135K127-T131 WeakPolarHBondContact O-CB 3.42Å; K127-T131 PolarHBondContact O-N 3.31Å; K127-T131 PolarHBondContact O-OG1 3.23Å; K128-T131 PolarHBondContact O-N 3.24Å; A129-T131 VanDerWaalsContact C-N 3.33Å; A129-T131 PolarHBondContact O-N 2.98Å; T131-N135 WeakPolarHBondContact O-CB 3.39Å; T131-N135 VanDerWaalsContact O-CG 3.3Å; T131-N135 PolarHBondContact O-N 3.34Å; T131-N135 PolarHBondContact O-ND2 3.1Å
132A96Very high94.3Very high29 Ų2939.7 Ų39.724%0.2421%0.205CC..Hα-helixtrans-64.6-43.6176.500000111.8K128 A129 N135 A136 R175K128-A132 WeakPolarHBondContact O-CB 3.41Å; K128-A132 PolarHBondContact O-N 3.13Å; A129-A132 WeakPolarHBondContact O-CB 3.25Å; A129-A132 PolarHBondContact O-N 2.8Å; A129-A132 VanDerWaalsContact O-N 3.14Å; A132-N135 WeakPolarHBondContact O-CB 3.49Å; A132-N135 PolarHBondContact O-N 2.89Å; A132-A136 PolarHBondContact O-N 3.5Å; A132-R175 HydrophobicContact CB-CG 4.48Å
133L95.8Very high94.2Very high0 Ų038 Ų380%020%0.198CC..Hα-helixtrans-62.1-47.9175.3-179.859.5000111.6Y24 A129 K130 N135 A136 T137 F172 R175 K176 L179Y24-L133 HydrophobicContact CD1-CD2 4.45Å; Y24-L133 HydrophobicContact CE1-CD1 4.4Å; Y24-L133 HydrophobicContact CE1-CD2 3.85Å; Y24-L133 HydrophobicContact CE1-CG 3.95Å; Y24-L133 HydrophobicContact CE2-CD2 4.32Å; A129-L133 PolarHBondContact O-N 3.36Å; K130-L133 PolarHBondContact O-N 3.38Å; L133-N135 PolarHBondContact O-N 3.02Å; L133-A136 WeakPolarHBondContact O-CB 3.47Å; L133-A136 PolarHBondContact O-N 2.66Å; L133-T137 PolarHBondContact O-N 3.46Å; L133-T137 PolarHBondContact O-OG1 3.45Å; L133-T137 VanDerWaalsContact O-OG1 3.09Å; L133-F172 HydrophobicContact CD1-CD2 3.76Å; L133-F172 HydrophobicContact CD1-CE2 3.65Å; L133-R175 HydrophobicContact CB-CB 4.33Å; L133-R175 HydrophobicContact CD1-CB 4.13Å; L133-K176 HydrophobicContact CD1-CB 3.96Å; L133-L179 HydrophobicContact CD2-CB 4.48Å; L133-L179 HydrophobicContact CD2-CD2 3.42Å; L133-L179 VanDerWaalsContact CD2-CD2 3.42Å
134Q93.8Very high94Very high90 Ų9041.2 Ų41.242%0.42121%0.21SC..Hα-helixtrans-56.8-39.9176.3-74.7174.7-15.800112.4K130 L138K130-Q134 VanDerWaalsContact O-CG 3.3Å; K130-Q134 WeakPolarHBondContact O-CG 3.33Å; K130-Q134 PolarHBondContact O-N 2.91Å; Q134-L138 WeakPolarHBondContact O-CG 3.15Å; Q134-L138 PolarHBondContact O-N 3.4Å
135N93.8Very high93.7Very high48 Ų4838.5 Ų38.526%0.25720%0.196SC..Hα-helixtrans-67-41175.3-79.7-43.7000112.3R7 T131 A132 L133 L138 D139R7-N135 PolarHBondContact NH1-OD1 3.24Å; T131-N135 WeakPolarHBondContact O-CB 3.39Å; T131-N135 VanDerWaalsContact O-CG 3.3Å; T131-N135 PolarHBondContact O-N 3.34Å; T131-N135 PolarHBondContact O-ND2 3.1Å; A132-N135 WeakPolarHBondContact O-CB 3.49Å; A132-N135 PolarHBondContact O-N 2.89Å; L133-N135 PolarHBondContact O-N 3.02Å; N135-L138 PolarHBondContact O-N 2.99Å; N135-D139 VanDerWaalsContact O-CG 3.28Å; N135-D139 PolarHBondContact O-N 3.2Å
136A94Very high93.4Very high4 Ų441 Ų413%0.03320%0.201CC..Hα-helixtrans-65-39.6176.500000111.9A132 L133 L138 D139 M140 I171 F172 R175A132-A136 PolarHBondContact O-N 3.5Å; L133-A136 WeakPolarHBondContact O-CB 3.47Å; L133-A136 PolarHBondContact O-N 2.66Å; A136-L138 PolarHBondContact O-N 3.3Å; A136-D139 PolarHBondContact O-N 3.31Å; A136-M140 WeakPolarHBondContact O-CB 3.35Å; A136-M140 PolarHBondContact O-N 3.29Å; A136-I171 HydrophobicContact CB-CG2 4.14Å; A136-F172 HydrophobicContact CB-CB 4.4Å; A136-R175 HydrophobicContact CB-CB 4.32Å; A136-R175 HydrophobicContact CB-CG 4.09Å
137T93.2Very high92.9Very high6 Ų645 Ų454%0.03722%0.217CC..Hα-helixtrans-57.4-47.4172-57.10000111.7L133 D139 M140 D141 F172L133-T137 PolarHBondContact O-N 3.46Å; L133-T137 PolarHBondContact O-OG1 3.45Å; L133-T137 VanDerWaalsContact O-OG1 3.09Å; T137-D139 VanDerWaalsContact C-N 3.33Å; T137-D139 PolarHBondContact O-N 3.07Å; T137-M140 PolarHBondContact O-N 2.97Å; T137-D141 WeakPolarHBondContact O-CB 3.33Å; T137-D141 PolarHBondContact O-N 3.31Å; T137-F172 WeakPolarHBondContact OG1-CE2 3.39Å
138L91.8Very high92.4Very high14 Ų1445.6 Ų45.67%0.07323%0.232CC..Hα-helixtrans-63.9-37.1178.4-70.5169.1000113R7 T10 K11 Y14 Q134 N135 A136 G142R7-L138 HydrophobicContact CB-CB 4.32Å; R7-L138 HydrophobicContact CB-CD1 4.19Å; R7-L138 HydrophobicContact CG-CB 3.97Å; R7-L138 HydrophobicContact CG-CD1 4.41Å; T10-L138 HydrophobicContact CG2-CD2 4.04Å; T10-L138 WeakPolarHBondContact CG2-O 3.24Å; T10-L138 PolarHBondContact OG1-O 3.15Å; K11-L138 HydrophobicContact CG-CD1 4.37Å; K11-L138 HydrophobicContact CG-CD2 3.73Å; Y14-L138 HydrophobicContact CD2-CD2 4.4Å; Y14-L138 HydrophobicContact CE2-CD2 3.46Å; Y14-L138 VanDerWaalsContact CE2-CD2 3.46Å; Q134-L138 WeakPolarHBondContact O-CG 3.15Å; Q134-L138 PolarHBondContact O-N 3.4Å; N135-L138 PolarHBondContact O-N 2.99Å; A136-L138 PolarHBondContact O-N 3.3Å; L138-G142 PolarHBondContact O-N 2.91Å
139D92.4Very high91.9Very high41 Ų4143.6 Ų43.622%0.21922%0.221CC..Hα-helixtrans-70-43.4178.2-69.3-21.1000110.6R7 N135 A136 T137 G142 A143 T168R7-D139 WeakPolarHBondContact CG-OD1 3.43Å; R7-D139 IonicContact CZ-OD1 2.86Å; R7-D139 IonicContact CZ-OD2 3.35Å; R7-D139 IonicContact NE-OD1 2.54Å; R7-D139 PolarHBondContact NE-OD1 2.82Å; R7-D139 IonicContact NE-OD2 2.7Å; R7-D139 PolarHBondContact NE-OD2 2.93Å; R7-D139 IonicContact NH2-OD1 3Å; R7-D139 IonicContact NH2-OD2 3.86Å; R7-D139 PolarHBondContact NH2-OD2 2.98Å; N135-D139 VanDerWaalsContact O-CG 3.28Å; N135-D139 PolarHBondContact O-N 3.2Å; A136-D139 PolarHBondContact O-N 3.31Å; T137-D139 VanDerWaalsContact C-N 3.33Å; T137-D139 PolarHBondContact O-N 3.07Å; D139-G142 PolarHBondContact O-N 3.45Å; D139-A143 WeakPolarHBondContact O-CB 3.3Å; D139-A143 PolarHBondContact O-N 3Å; D139-T168 HydrophobicContact CB-CG2 4.33Å
140M93.6Very high91.3Very high1 Ų145 Ų451%0.00523%0.23CC..Hα-helixtrans-65.1-50.9177.2-175.6-173.46800112.5T22 A136 T137 G142 A143 R144 E169 F172T22-M140 HydrophobicContact CG2-CE 3.82Å; T22-M140 WeakPolarHBondContact OG1-CE 3.37Å; A136-M140 WeakPolarHBondContact O-CB 3.35Å; A136-M140 PolarHBondContact O-N 3.29Å; T137-M140 PolarHBondContact O-N 2.97Å; M140-G142 VanDerWaalsContact C-N 3.26Å; M140-G142 PolarHBondContact O-N 3.35Å; M140-A143 WeakPolarHBondContact O-CB 3.46Å; M140-A143 PolarHBondContact O-N 3.26Å; M140-A143 VanDerWaalsContact O-N 3.11Å; M140-R144 WeakPolarHBondContact O-CG 3.27Å; M140-R144 PolarHBondContact O-N 3.07Å; M140-E169 HydrophobicContact CG-CG 3.74Å; M140-E169 HydrophobicContact SD-CB 4.37Å; M140-E169 HydrophobicContact SD-CG 3.72Å; M140-F172 HydrophobicContact CB-CB 4.48Å; M140-F172 HydrophobicContact CE-CD1 4.16Å; M140-F172 HydrophobicContact CE-CD2 4.17Å; M140-F172 HydrophobicContact CE-CE1 4.42Å; M140-F172 HydrophobicContact CE-CE2 4.44Å; M140-F172 HydrophobicContact CE-CG 4.02Å; M140-F172 HydrophobicContact SD-CB 3.77Å; M140-F172 HydrophobicContact SD-CD1 3.84Å; M140-F172 HydrophobicContact SD-CD2 4.44Å; M140-F172 HydrophobicContact SD-CG 3.75Å
141D92.1Very high90.8Very high4 Ų448.7 Ų48.72%0.02126%0.257CS..Hα-helixtrans-64-36178.3-69.7-11.2000110.9T10 Y14 K21 T22 T137 R144 A145T10-D141 HydrophobicContact CG2-CB 4.07Å; Y14-D141 HydrophobicContact CE1-CB 3.99Å; Y14-D141 WeakPolarHBondContact OH-CB 3.46Å; Y14-D141 PolarHBondContact OH-OD2 2.9Å; K21-D141 WeakPolarHBondContact CA-OD2 3.39Å; T22-D141 WeakPolarHBondContact CB-OD1 3.36Å; T22-D141 PolarHBondContact N-OD2 3.13Å; T22-D141 PolarHBondContact OG1-OD1 3.44Å; T137-D141 WeakPolarHBondContact O-CB 3.33Å; T137-D141 PolarHBondContact O-N 3.31Å; D141-R144 PolarHBondContact O-N 3.32Å; D141-A145 VanDerWaalsContact O-CB 3.29Å; D141-A145 WeakPolarHBondContact O-CB 3.44Å; D141-A145 PolarHBondContact O-N 3.1Å
142G90.2Very high90.1Very high8 Ų846.7 Ų46.78%0.08225%0.246CC..Hα-helixtrans-62.4-41.6172.300000113T10 L138 D139 M140 K146T10-G142 WeakPolarHBondContact OG1-CA 3.47Å; L138-G142 PolarHBondContact O-N 2.91Å; D139-G142 PolarHBondContact O-N 3.45Å; M140-G142 VanDerWaalsContact C-N 3.26Å; M140-G142 PolarHBondContact O-N 3.35Å; G142-K146 WeakPolarHBondContact O-CB 3.16Å; G142-K146 VanDerWaalsContact O-CG 3.31Å; G142-K146 WeakPolarHBondContact O-CG 3.4Å; G142-K146 PolarHBondContact O-N 3.45Å
143A90.3Very high89.4Confident4 Ų450.9 Ų50.93%0.03327%0.271CS..Hα-helixtrans-66.9-45.4175.900000111.9D139 M140 A145 K146 R147 N164 T168D139-A143 WeakPolarHBondContact O-CB 3.3Å; D139-A143 PolarHBondContact O-N 3Å; M140-A143 WeakPolarHBondContact O-CB 3.46Å; M140-A143 PolarHBondContact O-N 3.26Å; M140-A143 VanDerWaalsContact O-N 3.11Å; A143-A145 PolarHBondContact O-N 3.14Å; A143-K146 PolarHBondContact O-N 3.4Å; A143-R147 PolarHBondContact O-N 2.58Å; A143-N164 WeakPolarHBondContact CB-ND2 3.35Å; A143-T168 HydrophobicContact CB-CG2 4.11Å; A143-T168 WeakPolarHBondContact CB-OG1 3.49Å
144R89.3Confident89.1Confident94 Ų9454.5 Ų54.536%0.35529%0.29SS..Hα-helixtrans-58-48.1174.9-74.4177.9175.6174.2-1.3111.8T22 M140 D141 K146 R147 S148 Q165 E169T22-R144 PolarHBondContact OG1-NH1 2.69Å; M140-R144 WeakPolarHBondContact O-CG 3.27Å; M140-R144 PolarHBondContact O-N 3.07Å; D141-R144 PolarHBondContact O-N 3.32Å; R144-K146 VanDerWaalsContact C-N 3.35Å; R144-K146 PolarHBondContact O-N 3.35Å; R144-R147 PolarHBondContact O-N 2.58Å; R144-S148 WeakPolarHBondContact O-CB 3.27Å; R144-S148 PolarHBondContact O-N 2.76Å; R144-Q165 HydrophobicContact CG-CG 4.12Å; R144-E169 IonicContact CZ-OE1 3.7Å; R144-E169 IonicContact NE-OE1 2.66Å; R144-E169 PolarHBondContact NE-OE1 2.84Å; R144-E169 IonicContact NH2-OE1 2.88Å; R144-E169 PolarHBondContact NH2-OE1 2.65Å
145A88Confident88.8Confident9 Ų954.9 Ų54.97%0.07430%0.3CS..Hα-helixtrans-64.7-36.4178.200000112.7A19 D141 A143 R149A19-A145 HydrophobicContact CB-CB 4.03Å; D141-A145 VanDerWaalsContact O-CB 3.29Å; D141-A145 WeakPolarHBondContact O-CB 3.44Å; D141-A145 PolarHBondContact O-N 3.1Å; A143-A145 PolarHBondContact O-N 3.14Å; A145-R149 WeakPolarHBondContact O-CB 3.49Å; A145-R149 VanDerWaalsContact O-CG 3.25Å; A145-R149 WeakPolarHBondContact O-CG 3.41Å; A145-R149 PolarHBondContact O-N 2.9Å; A145-R149 VanDerWaalsContact O-N 3.11Å; A145-R149 PolarHBondContact O-NE 2.99Å
146K88.2Confident88.6Confident121 Ų12155 Ų5553%0.52631%0.309SS..Hα-helixtrans-66.1-43.2173.8-77.8176.4-177.9-178.40112G142 A143 R144 R149 S150 L161G142-K146 WeakPolarHBondContact O-CB 3.16Å; G142-K146 VanDerWaalsContact O-CG 3.31Å; G142-K146 WeakPolarHBondContact O-CG 3.4Å; G142-K146 PolarHBondContact O-N 3.45Å; A143-K146 PolarHBondContact O-N 3.4Å; R144-K146 VanDerWaalsContact C-N 3.35Å; R144-K146 PolarHBondContact O-N 3.35Å; K146-R149 PolarHBondContact O-N 2.96Å; K146-S150 WeakPolarHBondContact O-CB 3.34Å; K146-S150 PolarHBondContact O-N 2.86Å; K146-S150 VanDerWaalsContact O-N 3.14Å; K146-L161 HydrophobicContact CB-CD2 4.42Å
147R86.4Confident88.3Confident87 Ų8757.5 Ų57.533%0.32832%0.323SS..Hα-helixtrans-63.9-48.6177-171.8-174-175178.7-0.6111.5A143 R144 R149 S150 L161 D162A143-R147 PolarHBondContact O-N 2.58Å; R144-R147 PolarHBondContact O-N 2.58Å; R147-R149 VanDerWaalsContact C-N 3.27Å; R147-R149 PolarHBondContact O-N 3.03Å; R147-S150 WeakPolarHBondContact O-CB 3.32Å; R147-S150 PolarHBondContact O-N 3.01Å; R147-S150 VanDerWaalsContact O-N 3.11Å; R147-L161 HydrophobicContact CB-CB 4.47Å; R147-L161 HydrophobicContact CG-CB 4.35Å; R147-D162 IonicContact CZ-OD1 2.93Å; R147-D162 IonicContact CZ-OD2 3.65Å; R147-D162 IonicContact NE-OD1 2.65Å; R147-D162 PolarHBondContact NE-OD1 2.99Å; R147-D162 IonicContact NH1-OD1 3.92Å; R147-D162 IonicContact NH2-OD1 2.88Å; R147-D162 PolarHBondContact NH2-OD1 3.27Å; R147-D162 IonicContact NH2-OD2 2.81Å; R147-D162 PolarHBondContact NH2-OD2 2.86Å
148S85.8Confident88.1Confident107 Ų10763.7 Ų63.775%0.74835%0.346SS*.Hα-helixtrans-59-36.7178.8172.50000112.8R144R144-S148 WeakPolarHBondContact O-CB 3.27Å; R144-S148 PolarHBondContact O-N 2.76Å
149R85.8Confident88.1Confident114 Ų11469.8 Ų69.843%0.4337%0.374SS..Hα-helixtrans-84.7-8.2178.5-67.9-178.1-65.7-150.57.3114.5N13 R18 A145 K146 R147 T151N13-R149 PolarHBondContact ND2-NH2 3.47Å; N13-R149 PolarHBondContact OD1-NH1 3.49Å; R18-R149 PolarHBondContact O-NH1 3.28Å; A145-R149 WeakPolarHBondContact O-CB 3.49Å; A145-R149 VanDerWaalsContact O-CG 3.25Å; A145-R149 WeakPolarHBondContact O-CG 3.41Å; A145-R149 PolarHBondContact O-N 2.9Å; A145-R149 VanDerWaalsContact O-N 3.11Å; A145-R149 PolarHBondContact O-NE 2.99Å; K146-R149 PolarHBondContact O-N 2.96Å; R147-R149 VanDerWaalsContact C-N 3.27Å; R147-R149 PolarHBondContact O-N 3.03Å; R149-T151 PolarHBondContact O-N 3.32Å
150S84.9Confident88.1Confident40 Ų4072.4 Ų72.428%0.2839%0.392SS..  trans-78.3116.7-177.4-1750000110.7K146 R147 L161K146-S150 WeakPolarHBondContact O-CB 3.34Å; K146-S150 PolarHBondContact O-N 2.86Å; K146-S150 VanDerWaalsContact O-N 3.14Å; R147-S150 WeakPolarHBondContact O-CB 3.32Å; R147-S150 PolarHBondContact O-N 3.01Å; R147-S150 VanDerWaalsContact O-N 3.11Å; S150-L161 VanDerWaalsContact OG-CD1 3.26Å; S150-L161 WeakPolarHBondContact OG-CD1 3.3Å
151T85.3Confident88Confident130 Ų13074 Ų7480%0.79840%0.4SS*.  trans-98.69.6172.754.70000112.6R149R149-T151 PolarHBondContact O-N 3.32Å
152S82.2Confident87.9Confident30 Ų3076 Ų7621%0.2141%0.411CS..  trans-58.2130.5-174.2-173.20000111.4D154 R158S152-D154 VanDerWaalsContact C-N 3.28Å; S152-D154 PolarHBondContact OG-N 3.4Å; S152-R158 PolarHBondContact O-NE 3.28Å; S152-R158 PolarHBondContact O-NH2 3.48Å
153P81.2Confident88.1Confident117 Ų11778 Ų7876%0.7643%0.426SS*.  trans-77.6-16.4173.332.2-34.1000112.2P155P153-P155 VanDerWaalsContact O-CD 3.3Å; P153-P155 WeakPolarHBondContact O-CD 3.47Å
154D88.4Confident88.2Confident75 Ų7581.4 Ų81.440%0.40144%0.444SS..  trans-71.1117-177.3-175.4-10.6000111.4S152 A156 V157 R158S152-D154 VanDerWaalsContact C-N 3.28Å; S152-D154 PolarHBondContact OG-N 3.4Å; D154-A156 PolarHBondContact O-N 2.88Å; D154-A156 WeakPolarHBondContact OD1-CB 3.36Å; D154-A156 PolarHBondContact OD1-N 2.92Å; D154-V157 HydrophobicContact CB-CB 4.21Å; D154-V157 HydrophobicContact CB-CG2 3.88Å; D154-V157 PolarHBondContact O-N 2.9Å; D154-R158 PolarHBondContact O-N 3.4Å
155P88.4Confident88.3Confident98 Ų9878.2 Ų78.264%0.63643%0.433SS*.Hα-helixtrans-57.2-34.3176.7-23.734.6000113.7P153 R158 Q159P153-P155 VanDerWaalsContact O-CD 3.3Å; P153-P155 WeakPolarHBondContact O-CD 3.47Å; P155-R158 PolarHBondContact O-N 2.9Å; P155-Q159 WeakPolarHBondContact O-CB 3.49Å; P155-Q159 PolarHBondContact O-N 3.18Å
156A89.8Confident88.6Confident52 Ų5285.6 Ų85.643%0.4346%0.459SS..Hα-helixtrans-67.4-38.6-179.200000111.6D154 Q159 T160D154-A156 PolarHBondContact O-N 2.88Å; D154-A156 WeakPolarHBondContact OD1-CB 3.36Å; D154-A156 PolarHBondContact OD1-N 2.92Å; A156-Q159 PolarHBondContact O-N 3.26Å; A156-T160 WeakPolarHBondContact O-CB 3.46Å; A156-T160 PolarHBondContact O-N 3.27Å; A156-T160 PolarHBondContact O-OG1 2.92Å
157V87.9Confident89Confident56 Ų5683.2 Ų83.234%0.33945%0.454SS..Hα-helixtrans-65.2-44.3174.8176.10000110.4D154 T160 L161D154-V157 HydrophobicContact CB-CB 4.21Å; D154-V157 HydrophobicContact CB-CG2 3.88Å; D154-V157 PolarHBondContact O-N 2.9Å; V157-T160 PolarHBondContact O-N 2.88Å; V157-L161 HydrophobicContact CG1-CD1 4.14Å; V157-L161 WeakPolarHBondContact O-CG 3.47Å; V157-L161 PolarHBondContact O-N 3.49Å
158R88.1Confident89.4Confident135 Ų13579.7 Ų79.751%0.50944%0.443SS..Hα-helixtrans-61.4-47.3176.5-69.4-176178.5-164-2.5111.6S152 D154 P155 T160 L161 D162S152-R158 PolarHBondContact O-NE 3.28Å; S152-R158 PolarHBondContact O-NH2 3.48Å; D154-R158 PolarHBondContact O-N 3.4Å; P155-R158 PolarHBondContact O-N 2.9Å; R158-T160 VanDerWaalsContact C-N 3.27Å; R158-T160 PolarHBondContact O-N 3.03Å; R158-L161 PolarHBondContact O-N 2.74Å; R158-L161 VanDerWaalsContact O-N 3.16Å; R158-D162 WeakPolarHBondContact O-CB 3.3Å; R158-D162 VanDerWaalsContact O-CG 3.22Å; R158-D162 PolarHBondContact O-N 2.98Å; R158-D162 VanDerWaalsContact O-OD1 3.08Å
159Q90.9Very high89.8Confident143 Ų14377 Ų7767%0.66842%0.419SS*.Hα-helixtrans-59-39.1177.7-171.5176.911.500112.1P155 A156 D162 A163P155-Q159 WeakPolarHBondContact O-CB 3.49Å; P155-Q159 PolarHBondContact O-N 3.18Å; A156-Q159 PolarHBondContact O-N 3.26Å; Q159-D162 PolarHBondContact O-N 3.48Å; Q159-A163 VanDerWaalsContact O-CB 3.31Å; Q159-A163 WeakPolarHBondContact O-CB 3.37Å; Q159-A163 PolarHBondContact O-N 3.05Å
160T92.3Very high90.3Very high96 Ų9677.4 Ų77.459%0.58943%0.425SS*.Hα-helixtrans-66.3-42.5176.8-57.30000112A156 V157 R158 N164A156-T160 WeakPolarHBondContact O-CB 3.46Å; A156-T160 PolarHBondContact O-N 3.27Å; A156-T160 PolarHBondContact O-OG1 2.92Å; V157-T160 PolarHBondContact O-N 2.88Å; R158-T160 VanDerWaalsContact C-N 3.27Å; R158-T160 PolarHBondContact O-N 3.03Å; T160-N164 WeakPolarHBondContact O-CB 3.41Å; T160-N164 PolarHBondContact O-N 3.37Å
161L91.5Very high90.8Very high35 Ų3578.7 Ų78.718%0.18343%0.428CS..Hα-helixtrans-66-40.8176.8-69.8170.8000111.9K146 R147 S150 V157 R158 N164 Q165K146-L161 HydrophobicContact CB-CD2 4.42Å; R147-L161 HydrophobicContact CB-CB 4.47Å; R147-L161 HydrophobicContact CG-CB 4.35Å; S150-L161 VanDerWaalsContact OG-CD1 3.26Å; S150-L161 WeakPolarHBondContact OG-CD1 3.3Å; V157-L161 HydrophobicContact CG1-CD1 4.14Å; V157-L161 WeakPolarHBondContact O-CG 3.47Å; V157-L161 PolarHBondContact O-N 3.49Å; R158-L161 PolarHBondContact O-N 2.74Å; R158-L161 VanDerWaalsContact O-N 3.16Å; L161-N164 PolarHBondContact O-N 3.3Å; L161-Q165 PolarHBondContact O-N 3.09Å
162D91Very high91.3Very high45 Ų4573 Ų7324%0.24139%0.392CS..Hα-helixtrans-63.2-46.9176.5-72.214.8000111.3R147 R158 Q159 Q165 R166R147-D162 IonicContact CZ-OD1 2.93Å; R147-D162 IonicContact CZ-OD2 3.65Å; R147-D162 IonicContact NE-OD1 2.65Å; R147-D162 PolarHBondContact NE-OD1 2.99Å; R147-D162 IonicContact NH1-OD1 3.92Å; R147-D162 IonicContact NH2-OD1 2.88Å; R147-D162 PolarHBondContact NH2-OD1 3.27Å; R147-D162 IonicContact NH2-OD2 2.81Å; R147-D162 PolarHBondContact NH2-OD2 2.86Å; R158-D162 WeakPolarHBondContact O-CB 3.3Å; R158-D162 VanDerWaalsContact O-CG 3.22Å; R158-D162 PolarHBondContact O-N 2.98Å; R158-D162 VanDerWaalsContact O-OD1 3.08Å; Q159-D162 PolarHBondContact O-N 3.48Å; D162-Q165 PolarHBondContact O-N 3.42Å; D162-R166 WeakPolarHBondContact O-CG 3.34Å; D162-R166 PolarHBondContact O-N 2.99Å
163A93.3Very high92Very high50 Ų5075.7 Ų75.741%0.41340%0.402SS..Hα-helixtrans-60.9-46.2175.700000111.2Q159 Q165 R166 T167Q159-A163 VanDerWaalsContact O-CB 3.31Å; Q159-A163 WeakPolarHBondContact O-CB 3.37Å; Q159-A163 PolarHBondContact O-N 3.05Å; A163-Q165 PolarHBondContact O-N 3.03Å; A163-R166 PolarHBondContact O-N 2.92Å; A163-T167 PolarHBondContact O-N 3.26Å; A163-T167 PolarHBondContact O-OG1 3.42Å; A163-T167 VanDerWaalsContact O-OG1 3.1Å
164N93Very high92.7Very high75 Ų7575.2 Ų75.240%0.40139%0.389SS..Hα-helixtrans-62.8-41.2178.3-178.372.1000112.3A143 T160 L161 T167 T168A143-N164 WeakPolarHBondContact CB-ND2 3.35Å; T160-N164 WeakPolarHBondContact O-CB 3.41Å; T160-N164 PolarHBondContact O-N 3.37Å; L161-N164 PolarHBondContact O-N 3.3Å; N164-T167 PolarHBondContact O-N 3.47Å; N164-T168 WeakPolarHBondContact O-CG2 3.43Å; N164-T168 PolarHBondContact O-N 3.48Å; N164-T168 PolarHBondContact O-OG1 2.86Å; N164-T168 VanDerWaalsContact O-OG1 3.1Å
165Q92.5Very high93.1Very high27 Ų2775.8 Ų75.813%0.12639%0.386CS..Hα-helixtrans-59.7-49.7174.5-179.7179.5-17.400111R144 L161 D162 A163 T167 T168 E169R144-Q165 HydrophobicContact CG-CG 4.12Å; L161-Q165 PolarHBondContact O-N 3.09Å; D162-Q165 PolarHBondContact O-N 3.42Å; A163-Q165 PolarHBondContact O-N 3.03Å; Q165-T167 VanDerWaalsContact C-N 3.32Å; Q165-T167 PolarHBondContact O-N 3.03Å; Q165-T168 WeakPolarHBondContact CA-OG1 3.37Å; Q165-T168 PolarHBondContact O-N 2.92Å; Q165-T168 VanDerWaalsContact O-N 3.16Å; Q165-T168 PolarHBondContact O-OG1 3.27Å; Q165-E169 HydrophobicContact CG-CG 4.27Å; Q165-E169 PolarHBondContact NE2-OE1 2.97Å; Q165-E169 WeakPolarHBondContact O-CG 3.12Å; Q165-E169 PolarHBondContact O-N 3Å
166R94.2Very high93.5Very high165 Ų16572.8 Ų72.862%0.62336%0.363SS*.Hα-helixtrans-57.5-44178.5-71.4177.6-175.11752.9111.9D162 A163 E169 Q170D162-R166 WeakPolarHBondContact O-CG 3.34Å; D162-R166 PolarHBondContact O-N 2.99Å; A163-R166 PolarHBondContact O-N 2.92Å; R166-E169 PolarHBondContact O-N 3.22Å; R166-Q170 WeakPolarHBondContact O-CG 3.42Å; R166-Q170 PolarHBondContact O-N 3.38Å
167T95.6Very high93.8Very high70 Ų7074.6 Ų74.643%0.42937%0.365SS..Hα-helixtrans-62-44.6176.7-59.10000111.8A163 N164 Q165 E169 Q170 I171A163-T167 PolarHBondContact O-N 3.26Å; A163-T167 PolarHBondContact O-OG1 3.42Å; A163-T167 VanDerWaalsContact O-OG1 3.1Å; N164-T167 PolarHBondContact O-N 3.47Å; Q165-T167 VanDerWaalsContact C-N 3.32Å; Q165-T167 PolarHBondContact O-N 3.03Å; T167-E169 VanDerWaalsContact C-N 3.33Å; T167-E169 PolarHBondContact O-N 2.88Å; T167-Q170 PolarHBondContact O-N 3.35Å; T167-I171 HydrophobicContact CG2-CD1 3.97Å; T167-I171 VanDerWaalsContact O-CG1 3.3Å; T167-I171 WeakPolarHBondContact O-CG1 3.21Å; T167-I171 PolarHBondContact O-N 2.85Å
168T94.4Very high94.2Very high14 Ų1475.3 Ų75.39%0.08637%0.365CS..Hα-helixtrans-68.5-31.8178.652.90000113.3D139 A143 N164 Q165 F172D139-T168 HydrophobicContact CB-CG2 4.33Å; A143-T168 HydrophobicContact CB-CG2 4.11Å; A143-T168 WeakPolarHBondContact CB-OG1 3.49Å; N164-T168 WeakPolarHBondContact O-CG2 3.43Å; N164-T168 PolarHBondContact O-N 3.48Å; N164-T168 PolarHBondContact O-OG1 2.86Å; N164-T168 VanDerWaalsContact O-OG1 3.1Å; Q165-T168 WeakPolarHBondContact CA-OG1 3.37Å; Q165-T168 PolarHBondContact O-N 2.92Å; Q165-T168 VanDerWaalsContact O-N 3.16Å; Q165-T168 PolarHBondContact O-OG1 3.27Å; T168-F172 WeakPolarHBondContact O-CB 3.22Å; T168-F172 PolarHBondContact O-N 3.44Å
169E94.7Very high94.6Very high51 Ų5168.9 Ų68.924%0.23834%0.341CS..Hα-helixtrans-69.1-43174.2-74.2173.916500111.4M140 R144 Q165 R166 T167 F172 E173M140-E169 HydrophobicContact CG-CG 3.74Å; M140-E169 HydrophobicContact SD-CB 4.37Å; M140-E169 HydrophobicContact SD-CG 3.72Å; R144-E169 IonicContact CZ-OE1 3.7Å; R144-E169 IonicContact NE-OE1 2.66Å; R144-E169 PolarHBondContact NE-OE1 2.84Å; R144-E169 IonicContact NH2-OE1 2.88Å; R144-E169 PolarHBondContact NH2-OE1 2.65Å; Q165-E169 HydrophobicContact CG-CG 4.27Å; Q165-E169 PolarHBondContact NE2-OE1 2.97Å; Q165-E169 WeakPolarHBondContact O-CG 3.12Å; Q165-E169 PolarHBondContact O-N 3Å; R166-E169 PolarHBondContact O-N 3.22Å; T167-E169 VanDerWaalsContact C-N 3.33Å; T167-E169 PolarHBondContact O-N 2.88Å; E169-F172 WeakPolarHBondContact O-CB 3.35Å; E169-F172 PolarHBondContact O-N 3.17Å; E169-E173 PolarHBondContact O-N 2.77Å
170Q96.5Very high94.9Very high122 Ų12263.7 Ų63.757%0.5732%0.317SS*.Hα-helixtrans-59.7-47.2173.6-74.8173.9-18.600111.7R166 T167 F172 E173 E174R166-Q170 WeakPolarHBondContact O-CG 3.42Å; R166-Q170 PolarHBondContact O-N 3.38Å; T167-Q170 PolarHBondContact O-N 3.35Å; Q170-F172 VanDerWaalsContact C-N 3.29Å; Q170-F172 PolarHBondContact O-N 2.81Å; Q170-E173 PolarHBondContact O-N 3.04Å; Q170-E174 WeakPolarHBondContact O-CG 3.34Å; Q170-E174 PolarHBondContact O-N 2.91Å
171I96.4Very high95.1Very high66 Ų6665.6 Ų65.634%0.33832%0.319SS..Hα-helixtrans-61.1-39.7176.6-67.4166.6000111A136 T167 E174 R175A136-I171 HydrophobicContact CB-CG2 4.14Å; T167-I171 HydrophobicContact CG2-CD1 3.97Å; T167-I171 VanDerWaalsContact O-CG1 3.3Å; T167-I171 WeakPolarHBondContact O-CG1 3.21Å; T167-I171 PolarHBondContact O-N 2.85Å; I171-E174 PolarHBondContact O-N 2.99Å; I171-R175 HydrophobicContact CG2-CG 4.33Å; I171-R175 VanDerWaalsContact O-CG 3.3Å; I171-R175 WeakPolarHBondContact O-CG 3.48Å; I171-R175 PolarHBondContact O-N 3.28Å
172F95.6Very high95.3Very high11 Ų1165 Ų655%0.04832%0.315CS..Hα-helixtrans-60.4-49.5176.2169-97.9000111.7T22 Y24 L133 A136 T137 M140 T168 E169 Q170 E174 R175 K176T22-F172 HydrophobicContact CG2-CZ 4.2Å; Y24-F172 HydrophobicContact CD1-CE2 4.38Å; Y24-F172 HydrophobicContact CD1-CZ 4.37Å; Y24-F172 HydrophobicContact CE1-CE2 4.04Å; Y24-F172 HydrophobicContact CE1-CZ 4.48Å; L133-F172 HydrophobicContact CD1-CD2 3.76Å; L133-F172 HydrophobicContact CD1-CE2 3.65Å; A136-F172 HydrophobicContact CB-CB 4.4Å; T137-F172 WeakPolarHBondContact OG1-CE2 3.39Å; M140-F172 HydrophobicContact CB-CB 4.48Å; M140-F172 HydrophobicContact CE-CD1 4.16Å; M140-F172 HydrophobicContact CE-CD2 4.17Å; M140-F172 HydrophobicContact CE-CE1 4.42Å; M140-F172 HydrophobicContact CE-CE2 4.44Å; M140-F172 HydrophobicContact CE-CG 4.02Å; M140-F172 HydrophobicContact SD-CB 3.77Å; M140-F172 HydrophobicContact SD-CD1 3.84Å; M140-F172 HydrophobicContact SD-CD2 4.44Å; M140-F172 HydrophobicContact SD-CG 3.75Å; T168-F172 WeakPolarHBondContact O-CB 3.22Å; T168-F172 PolarHBondContact O-N 3.44Å; E169-F172 WeakPolarHBondContact O-CB 3.35Å; E169-F172 PolarHBondContact O-N 3.17Å; Q170-F172 VanDerWaalsContact C-N 3.29Å; Q170-F172 PolarHBondContact O-N 2.81Å; F172-E174 PolarHBondContact O-N 3.42Å; F172-R175 PolarHBondContact O-N 3.19Å; F172-K176 HydrophobicContact CE1-CD 4.35Å; F172-K176 HydrophobicContact CZ-CD 4.43Å; F172-K176 WeakPolarHBondContact O-CB 3.46Å; F172-K176 PolarHBondContact O-N 3.26Å
173E95.7Very high95.5Very high86 Ų8662.9 Ų62.940%0.40231%0.305SS..Hα-helixtrans-64.1-39.2178.2-69.2-57.1146.400112.3E169 Q170 K176 N177E169-E173 PolarHBondContact O-N 2.77Å; Q170-E173 PolarHBondContact O-N 3.04Å; E173-K176 PolarHBondContact O-N 2.95Å; E173-N177 WeakPolarHBondContact O-CB 3.46Å; E173-N177 VanDerWaalsContact O-CG 3.24Å; E173-N177 PolarHBondContact O-N 3.46Å; E173-N177 PolarHBondContact O-ND2 3.37Å
174E96.9Very high95.6Very high107 Ų10765.3 Ų65.350%0.531%0.31SS..Hα-helixtrans-58.7-50.2173.2-74.8171.9-174.900111.7Q170 I171 F172 K176 N177 E178Q170-E174 WeakPolarHBondContact O-CG 3.34Å; Q170-E174 PolarHBondContact O-N 2.91Å; I171-E174 PolarHBondContact O-N 2.99Å; F172-E174 PolarHBondContact O-N 3.42Å; E174-K176 VanDerWaalsContact C-N 3.31Å; E174-K176 PolarHBondContact O-N 2.92Å; E174-N177 PolarHBondContact O-N 3.02Å; E174-E178 WeakPolarHBondContact O-CG 3.14Å; E174-E178 PolarHBondContact O-N 2.89Å
175R96.9Very high95.6Very high87 Ų8766.5 Ų66.533%0.32831%0.309SS..Hα-helixtrans-67.1-32.4179.1-63.8-51173.7-166.7-14.3112.8A132 L133 A136 I171 F172 E178 L179A132-R175 HydrophobicContact CB-CG 4.48Å; L133-R175 HydrophobicContact CB-CB 4.33Å; L133-R175 HydrophobicContact CD1-CB 4.13Å; A136-R175 HydrophobicContact CB-CB 4.32Å; A136-R175 HydrophobicContact CB-CG 4.09Å; I171-R175 HydrophobicContact CG2-CG 4.33Å; I171-R175 VanDerWaalsContact O-CG 3.3Å; I171-R175 WeakPolarHBondContact O-CG 3.48Å; I171-R175 PolarHBondContact O-N 3.28Å; F172-R175 PolarHBondContact O-N 3.19Å; R175-E178 WeakPolarHBondContact CD-OE2 3.07Å; R175-E178 IonicContact CZ-OE1 3.73Å; R175-E178 IonicContact CZ-OE2 3.89Å; R175-E178 IonicContact NE-OE2 3Å; R175-E178 IonicContact NH1-OE1 2.87Å; R175-E178 PolarHBondContact NH1-OE1 3.29Å; R175-E178 IonicContact NH1-OE2 3.75Å; R175-E178 PolarHBondContact NH1-OE2 3.48Å; R175-L179 WeakPolarHBondContact O-CB 3.37Å; R175-L179 PolarHBondContact O-N 3.19Å
176K96.2Very high95.7Very high36 Ų3666.7 Ų66.716%0.15731%0.311CS..Hα-helixtrans-65.4-46.7174.1-176.8-174.9175-1730110.1D25 T28 L133 F172 E173 E174 L179 M180D25-K176 WeakPolarHBondContact OD2-CE 3.42Å; D25-K176 IonicContact OD2-NZ 2.89Å; D25-K176 PolarHBondContact OD2-NZ 3.26Å; T28-K176 WeakPolarHBondContact OG1-CE 3.38Å; L133-K176 HydrophobicContact CD1-CB 3.96Å; F172-K176 HydrophobicContact CE1-CD 4.35Å; F172-K176 HydrophobicContact CZ-CD 4.43Å; F172-K176 WeakPolarHBondContact O-CB 3.46Å; F172-K176 PolarHBondContact O-N 3.26Å; E173-K176 PolarHBondContact O-N 2.95Å; E174-K176 VanDerWaalsContact C-N 3.31Å; E174-K176 PolarHBondContact O-N 2.92Å; K176-L179 PolarHBondContact O-N 3.04Å; K176-M180 WeakPolarHBondContact O-CB 3.39Å; K176-M180 VanDerWaalsContact O-CG 3.32Å; K176-M180 WeakPolarHBondContact O-CG 3.44Å; K176-M180 PolarHBondContact O-N 3.18Å
177N96Very high95.7Very high89 Ų8964.8 Ų64.848%0.47631%0.313SS..Hα-helixtrans-63.1-43.2177.4-72.7-29.2000112.2E173 E174 L179 M180 Q181E173-N177 WeakPolarHBondContact O-CB 3.46Å; E173-N177 VanDerWaalsContact O-CG 3.24Å; E173-N177 PolarHBondContact O-N 3.46Å; E173-N177 PolarHBondContact O-ND2 3.37Å; E174-N177 PolarHBondContact O-N 3.02Å; N177-L179 PolarHBondContact O-N 3.47Å; N177-M180 PolarHBondContact O-N 3.44Å; N177-Q181 WeakPolarHBondContact O-CG 3.39Å; N177-Q181 PolarHBondContact O-N 3.45Å
178E96.4Very high95.6Very high72 Ų7266.8 Ų66.834%0.33631%0.313SS..Hα-helixtrans-57.9-46173.4-73.8175179.400111.9E174 R175 Q181 I182E174-E178 WeakPolarHBondContact O-CG 3.14Å; E174-E178 PolarHBondContact O-N 2.89Å; R175-E178 WeakPolarHBondContact CD-OE2 3.07Å; R175-E178 IonicContact CZ-OE1 3.73Å; R175-E178 IonicContact CZ-OE2 3.89Å; R175-E178 IonicContact NE-OE2 3Å; R175-E178 IonicContact NH1-OE1 2.87Å; R175-E178 PolarHBondContact NH1-OE1 3.29Å; R175-E178 IonicContact NH1-OE2 3.75Å; R175-E178 PolarHBondContact NH1-OE2 3.48Å; E178-Q181 PolarHBondContact O-N 3.42Å; E178-I182 WeakPolarHBondContact O-CG1 3.43Å; E178-I182 PolarHBondContact O-N 3.27Å
179L97Very high95.6Very high0 Ų066.4 Ų66.40%031%0.311CS..Hα-helixtrans-62.2-45.1176.5-175.968.8000111.3M32 Y126 A129 K130 L133 R175 K176 N177 Q181 I182 V183M32-L179 HydrophobicContact CE-CD2 4.19Å; M32-L179 HydrophobicContact CG-CD2 3.94Å; M32-L179 HydrophobicContact SD-CD2 3.7Å; Y126-L179 HydrophobicContact CD2-CD1 3.69Å; Y126-L179 HydrophobicContact CE2-CD1 3.67Å; A129-L179 HydrophobicContact CB-CB 4.47Å; A129-L179 HydrophobicContact CB-CD1 3.79Å; K130-L179 HydrophobicContact CB-CD1 4.21Å; L133-L179 HydrophobicContact CD2-CB 4.48Å; L133-L179 HydrophobicContact CD2-CD2 3.42Å; L133-L179 VanDerWaalsContact CD2-CD2 3.42Å; R175-L179 WeakPolarHBondContact O-CB 3.37Å; R175-L179 PolarHBondContact O-N 3.19Å; K176-L179 PolarHBondContact O-N 3.04Å; N177-L179 PolarHBondContact O-N 3.47Å; L179-Q181 VanDerWaalsContact C-N 3.32Å; L179-Q181 PolarHBondContact O-N 2.96Å; L179-I182 WeakPolarHBondContact O-CB 3.42Å; L179-I182 PolarHBondContact O-N 2.98Å; L179-I182 VanDerWaalsContact O-N 3.1Å; L179-V183 PolarHBondContact O-N 3.34Å
180M96.6Very high95.6Very high33 Ų3366.6 Ų66.616%0.16332%0.317CS..Hα-helixtrans-61.9-38.9179.3-73.2-54.5-61.900112.1T28 A31 K176 N177 I182 V183 N184T28-M180 HydrophobicContact CG2-SD 4.01Å; A31-M180 HydrophobicContact CB-CE 3.97Å; A31-M180 HydrophobicContact CB-SD 4.31Å; K176-M180 WeakPolarHBondContact O-CB 3.39Å; K176-M180 VanDerWaalsContact O-CG 3.32Å; K176-M180 WeakPolarHBondContact O-CG 3.44Å; K176-M180 PolarHBondContact O-N 3.18Å; N177-M180 PolarHBondContact O-N 3.44Å; M180-I182 VanDerWaalsContact C-N 3.26Å; M180-I182 PolarHBondContact O-N 3.16Å; M180-V183 HydrophobicContact CE-CG2 4.17Å; M180-V183 PolarHBondContact O-N 2.88Å; M180-V183 HydrophobicContact SD-CG2 3.85Å; M180-N184 WeakPolarHBondContact O-CB 3.41Å; M180-N184 PolarHBondContact O-N 3.1Å; M180-N184 PolarHBondContact O-ND2 3.27Å; M180-N184 VanDerWaalsContact O-ND2 3.13Å
181Q96.2Very high95.5Very high136 Ų13666.4 Ų66.464%0.63632%0.316SS*.Hα-helixtrans-59.4-37.3173.5-74.3174.25.800112.3N177 E178 L179 R185N177-Q181 WeakPolarHBondContact O-CG 3.39Å; N177-Q181 PolarHBondContact O-N 3.45Å; E178-Q181 PolarHBondContact O-N 3.42Å; L179-Q181 VanDerWaalsContact C-N 3.32Å; L179-Q181 PolarHBondContact O-N 2.96Å; Q181-R185 WeakPolarHBondContact O-CG 3.33Å
182I96.2Very high95.5Very high22 Ų2265.4 Ų65.411%0.11331%0.312CS..Hα-helixtrans-71.3-53.5177.5-63.4157000110.6F35 V125 Y126 A129 E178 L179 M180 N184 R185F35-I182 HydrophobicContact CE2-CG2 4.47Å; F35-I182 HydrophobicContact CZ-CG2 4.11Å; V125-I182 HydrophobicContact CG1-CD1 3.68Å; V125-I182 HydrophobicContact CG1-CG1 4.1Å; Y126-I182 HydrophobicContact CD2-CG2 4.46Å; A129-I182 HydrophobicContact CB-CD1 3.38Å; E178-I182 WeakPolarHBondContact O-CG1 3.43Å; E178-I182 PolarHBondContact O-N 3.27Å; L179-I182 WeakPolarHBondContact O-CB 3.42Å; L179-I182 PolarHBondContact O-N 2.98Å; L179-I182 VanDerWaalsContact O-N 3.1Å; M180-I182 VanDerWaalsContact C-N 3.26Å; M180-I182 PolarHBondContact O-N 3.16Å; I182-N184 VanDerWaalsContact C-N 3.27Å; I182-N184 PolarHBondContact O-N 3.42Å; I182-R185 WeakPolarHBondContact O-CB 3.47Å; I182-R185 PolarHBondContact O-N 3.48Å
183V96Very high95.4Very high2 Ų266 Ų661%0.01231%0.314CS..Hα-helixtrans-67.5-28.3-175.7-60.40000112.6A31 F35 Y126 L179 M180 R185 I186A31-V183 HydrophobicContact CB-CB 4.27Å; A31-V183 HydrophobicContact CB-CG2 3.65Å; F35-V183 HydrophobicContact CB-CB 4.27Å; F35-V183 HydrophobicContact CB-CG1 3.93Å; F35-V183 HydrophobicContact CD2-CB 4.23Å; F35-V183 HydrophobicContact CD2-CG1 4.26Å; F35-V183 HydrophobicContact CG-CB 4.41Å; F35-V183 HydrophobicContact CG-CG1 4.03Å; Y126-V183 HydrophobicContact CD2-CG1 3.66Å; Y126-V183 HydrophobicContact CE2-CG1 3.47Å; Y126-V183 VanDerWaalsContact CE2-CG1 3.47Å; L179-V183 PolarHBondContact O-N 3.34Å; M180-V183 HydrophobicContact CE-CG2 4.17Å; M180-V183 PolarHBondContact O-N 2.88Å; M180-V183 HydrophobicContact SD-CG2 3.85Å; V183-R185 PolarHBondContact O-N 3.41Å; V183-I186 VanDerWaalsContact O-CB 3.27Å; V183-I186 WeakPolarHBondContact O-CB 3.47Å; V183-I186 WeakPolarHBondContact O-CG2 3.48Å; V183-I186 PolarHBondContact O-N 2.9Å; V183-I186 VanDerWaalsContact O-N 3.1Å
184N94Very high95.4Very high100 Ų10069.1 Ų69.154%0.53532%0.323SS..THydrogen-bonded Turntrans-70.5-12.6175.5-71.7-19.9000113.2M180 I182 I186M180-N184 WeakPolarHBondContact O-CB 3.41Å; M180-N184 PolarHBondContact O-N 3.1Å; M180-N184 PolarHBondContact O-ND2 3.27Å; M180-N184 VanDerWaalsContact O-ND2 3.13Å; I182-N184 VanDerWaalsContact C-N 3.27Å; I182-N184 PolarHBondContact O-N 3.42Å; N184-I186 PolarHBondContact O-N 2.82Å
185R94.3Very high95.4Very high101 Ų10168 Ų6838%0.38132%0.321SS..THydrogen-bonded Turntrans-76.83.8169.4-66.8175.968.2-146.9-6.4113E122 Q181 I182 V183 N187 Y188 H189E122-R185 VanDerWaalsContact CD-NH1 3.32Å; E122-R185 IonicContact OE1-CZ 3.77Å; E122-R185 IonicContact OE1-NH1 2.74Å; E122-R185 PolarHBondContact OE1-NH1 2.94Å; E122-R185 IonicContact OE1-NH2 3.27Å; E122-R185 PolarHBondContact OE1-NH2 3.47Å; E122-R185 IonicContact OE2-CZ 2.85Å; E122-R185 IonicContact OE2-NH1 3.98Å; E122-R185 PolarHBondContact OE2-NH1 3.1Å; Q181-R185 WeakPolarHBondContact O-CG 3.33Å; I182-R185 WeakPolarHBondContact O-CB 3.47Å; I182-R185 PolarHBondContact O-N 3.48Å; V183-R185 PolarHBondContact O-N 3.41Å; R185-N187 PolarHBondContact O-N 3.37Å; R185-N187 VanDerWaalsContact O-N 3.17Å; R185-Y188 WeakPolarHBondContact O-CB 3.48Å; R185-Y188 PolarHBondContact O-N 2.95Å; R185-H189 PolarHBondContact O-CD2 3.24Å; R185-H189 VanDerWaalsContact O-CD2 3.23Å; R185-H189 PolarHBondContact O-N 3.34Å
186I93.7Very high95.4Very high31 Ų3163.9 Ų63.916%0.15931%0.306CS..Hα-helixtrans-52.6-39.7179.8-168.361.1000113F35 F38 V183 N184 Y188 H189 C190F35-I186 HydrophobicContact CD2-CB 4.34Å; F35-I186 HydrophobicContact CD2-CD1 3.86Å; F35-I186 HydrophobicContact CE2-CD1 4.46Å; F38-I186 HydrophobicContact CB-CD1 3.64Å; F38-I186 HydrophobicContact CD1-CD1 3.78Å; F38-I186 HydrophobicContact CD2-CD1 4.22Å; F38-I186 HydrophobicContact CG-CD1 3.6Å; V183-I186 VanDerWaalsContact O-CB 3.27Å; V183-I186 WeakPolarHBondContact O-CB 3.47Å; V183-I186 WeakPolarHBondContact O-CG2 3.48Å; V183-I186 PolarHBondContact O-N 2.9Å; V183-I186 VanDerWaalsContact O-N 3.1Å; N184-I186 PolarHBondContact O-N 2.82Å; I186-Y188 VanDerWaalsContact C-N 3.32Å; I186-Y188 PolarHBondContact O-N 3.5Å; I186-H189 PolarHBondContact O-N 2.94Å; I186-H189 VanDerWaalsContact O-N 3.09Å; I186-C190 PolarHBondContact O-N 3.46Å; I186-C190 PolarHBondContact O-SG 2.85Å
187N93.7Very high95.4Very high124 Ų12465.6 Ų65.666%0.66332%0.317SS*.Hα-helixtrans-62.1-38.9179.6-70-21.4000112.6R185 H189 C190 E191R185-N187 PolarHBondContact O-N 3.37Å; R185-N187 VanDerWaalsContact O-N 3.17Å; N187-H189 VanDerWaalsContact C-N 3.32Å; N187-H189 PolarHBondContact O-N 3.35Å; N187-C190 PolarHBondContact O-N 2.92Å; N187-E191 PolarHBondContact O-N 3.44Å
188Y94.4Very high95.4Very high112 Ų11266.9 Ų66.944%0.43932%0.319SS..Hα-helixtrans-63.5-39.8174.8167.9-99.8000111.4R185 I186 E191 N192R185-Y188 WeakPolarHBondContact O-CB 3.48Å; R185-Y188 PolarHBondContact O-N 2.95Å; I186-Y188 VanDerWaalsContact C-N 3.32Å; I186-Y188 PolarHBondContact O-N 3.5Å; Y188-E191 PolarHBondContact O-N 3.4Å; Y188-N192 WeakPolarHBondContact CE1-ND2 3.41Å; Y188-N192 VanDerWaalsContact CZ-ND2 3.33Å; Y188-N192 PolarHBondContact O-N 2.93Å; Y188-N192 VanDerWaalsContact O-N 3.1Å; Y188-N192 PolarHBondContact OH-ND2 3.25Å
189H94.3Very high95.5Very high7 Ų764.9 Ų64.93%0.03232%0.316CS..Hα-helixtrans-71.4-36.7176.8-59-51.5000112.6F35 F38 F118 E122 R185 I186 N187 E191 N192 Q193F35-H189 AromaticContact CE2-CD2 3.92Å; F38-H189 HydrophobicContact CD1-CB 4.48Å; F38-H189 HydrophobicContact CE1-CB 3.65Å; F38-H189 HydrophobicContact CZ-CB 3.88Å; F38-H189 WeakPolarHBondContact CZ-O 3.47Å; F118-H189 HydrophobicContact CD2-CB 3.96Å; F118-H189 AromaticContact CD2-CD2 3.92Å; F118-H189 AromaticContact CD2-CG 3.55Å; F118-H189 AromaticContact CD2-ND1 3.63Å; F118-H189 HydrophobicContact CE2-CB 4.05Å; F118-H189 AromaticContact CE2-CD2 3.63Å; F118-H189 AromaticContact CE2-CG 3.66Å; E122-H189 VanDerWaalsContact CG-CE1 3.44Å; E122-H189 WeakPolarHBondContact CG-CE1 3.27Å; E122-H189 IonicContact OE1-CE1 3.76Å; R185-H189 PolarHBondContact O-CD2 3.24Å; R185-H189 VanDerWaalsContact O-CD2 3.23Å; R185-H189 PolarHBondContact O-N 3.34Å; I186-H189 PolarHBondContact O-N 2.94Å; I186-H189 VanDerWaalsContact O-N 3.09Å; N187-H189 VanDerWaalsContact C-N 3.32Å; N187-H189 PolarHBondContact O-N 3.35Å; H189-E191 VanDerWaalsContact C-N 3.31Å; H189-E191 PolarHBondContact O-N 3.33Å; H189-N192 PolarHBondContact O-N 2.96Å; H189-Q193 WeakPolarHBondContact O-CB 3.47Å; H189-Q193 PolarHBondContact O-N 3.15Å
190C94.3Very high95.5Very high54 Ų5466.5 Ų66.537%0.36532%0.323SS..Hα-helixtrans-59.8-40.8171.9-69.70000111.9I186 N187 Q193 Y194I186-C190 PolarHBondContact O-N 3.46Å; I186-C190 PolarHBondContact O-SG 2.85Å; N187-C190 PolarHBondContact O-N 2.92Å; C190-Q193 PolarHBondContact O-N 3.04Å; C190-Y194 WeakPolarHBondContact O-CB 3.38Å; C190-Y194 PolarHBondContact O-N 3.05Å
191E95.6Very high95.5Very high118 Ų11867.3 Ų67.355%0.55133%0.334SS*.Hα-helixtrans-64.5-43.9175.4-174.6176-166.400111.8N187 Y188 H189 Q193 Y194 N195N187-E191 PolarHBondContact O-N 3.44Å; Y188-E191 PolarHBondContact O-N 3.4Å; H189-E191 VanDerWaalsContact C-N 3.31Å; H189-E191 PolarHBondContact O-N 3.33Å; E191-Q193 VanDerWaalsContact C-N 3.32Å; E191-Q193 PolarHBondContact O-N 2.91Å; E191-Y194 WeakPolarHBondContact O-CB 3.49Å; E191-Y194 PolarHBondContact O-N 3.23Å; E191-N195 PolarHBondContact O-N 3.19Å; E191-N195 PolarHBondContact O-ND2 2.88Å
192N95Very high95.6Very high46 Ų4666.9 Ų66.925%0.24633%0.33CS..Hα-helixtrans-61-41174.1-72.8-13.2000112.1V114 Y188 H189 N195 A196V114-N192 HydrophobicContact CG1-CB 4.33Å; Y188-N192 WeakPolarHBondContact CE1-ND2 3.41Å; Y188-N192 VanDerWaalsContact CZ-ND2 3.33Å; Y188-N192 PolarHBondContact O-N 2.93Å; Y188-N192 VanDerWaalsContact O-N 3.1Å; Y188-N192 PolarHBondContact OH-ND2 3.25Å; H189-N192 PolarHBondContact O-N 2.96Å; N192-N195 PolarHBondContact O-N 3.32Å; N192-A196 WeakPolarHBondContact O-CB 3.44Å; N192-A196 PolarHBondContact O-N 3.47Å
193Q94.3Very high95.6Very high23 Ų2366.1 Ų66.111%0.10733%0.327CS..Hα-helixtrans-63.4-42.5175.4-174.467.726.100111.4F38 M115 H189 C190 E191 N195 A196 N197F38-Q193 HydrophobicContact CE2-CB 4.04Å; F38-Q193 HydrophobicContact CE2-CG 4.29Å; F38-Q193 HydrophobicContact CZ-CB 3.91Å; F38-Q193 HydrophobicContact CZ-CG 4.41Å; M115-Q193 PolarHBondContact SD-NE2 2.7Å; M115-Q193 VanDerWaalsContact SD-NE2 3.41Å; H189-Q193 WeakPolarHBondContact O-CB 3.47Å; H189-Q193 PolarHBondContact O-N 3.15Å; C190-Q193 PolarHBondContact O-N 3.04Å; E191-Q193 VanDerWaalsContact C-N 3.32Å; E191-Q193 PolarHBondContact O-N 2.91Å; Q193-N195 PolarHBondContact O-N 2.83Å; Q193-A196 PolarHBondContact O-N 3.11Å; Q193-N197 PolarHBondContact NE2-OD1 2.53Å; Q193-N197 WeakPolarHBondContact O-CB 3.44Å; Q193-N197 PolarHBondContact O-N 3.48Å; Q193-N197 PolarHBondContact O-OD1 2.85Å
194Y96Very high95.7Very high151 Ų15168.4 Ų68.459%0.59234%0.338SS*.Hα-helixtrans-58-47.8174.8175-91.2000111.4C190 E191 A196 N197 H198C190-Y194 WeakPolarHBondContact O-CB 3.38Å; C190-Y194 PolarHBondContact O-N 3.05Å; E191-Y194 WeakPolarHBondContact O-CB 3.49Å; E191-Y194 PolarHBondContact O-N 3.23Å; Y194-A196 PolarHBondContact O-N 2.93Å; Y194-N197 WeakPolarHBondContact O-CB 3.45Å; Y194-N197 PolarHBondContact O-N 3.03Å; Y194-H198 PolarHBondContact O-N 2.9Å
195N96.7Very high95.9Very high83 Ų8368.2 Ų68.244%0.44434%0.337SS..Hα-helixtrans-63.5-40.9178-70.3-31.8000112.2E191 N192 Q193 H198 A199E191-N195 PolarHBondContact O-N 3.19Å; E191-N195 PolarHBondContact O-ND2 2.88Å; N192-N195 PolarHBondContact O-N 3.32Å; Q193-N195 PolarHBondContact O-N 2.83Å; N195-H198 PolarHBondContact O-N 2.95Å; N195-A199 PolarHBondContact O-N 2.91Å
196A96.3Very high96Very high2 Ų267.6 Ų67.62%0.01734%0.341CS..Hα-helixtrans-63.4-41175.800000112T111 V114 M115 N192 Q193 Y194 A199 F200T111-A196 HydrophobicContact CG2-CB 4.41Å; T111-A196 WeakPolarHBondContact CG2-O 3.29Å; T111-A196 PolarHBondContact OG1-O 3.04Å; V114-A196 HydrophobicContact CB-CB 4.32Å; V114-A196 HydrophobicContact CG1-CB 4.31Å; M115-A196 HydrophobicContact CE-CB 3.64Å; M115-A196 HydrophobicContact CG-CB 4.09Å; N192-A196 WeakPolarHBondContact O-CB 3.44Å; N192-A196 PolarHBondContact O-N 3.47Å; Q193-A196 PolarHBondContact O-N 3.11Å; Y194-A196 PolarHBondContact O-N 2.93Å; A196-A199 PolarHBondContact O-N 3.37Å; A196-F200 PolarHBondContact O-N 2.91Å
197N96.1Very high96.2Very high71 Ų7167.1 Ų67.138%0.3834%0.338SS..Hα-helixtrans-63.6-41.3174.5-69.7-12.4000111.6M115 Q193 Y194 F200 A201M115-N197 WeakPolarHBondContact CE-OD1 3.38Å; Q193-N197 PolarHBondContact NE2-OD1 2.53Å; Q193-N197 WeakPolarHBondContact O-CB 3.44Å; Q193-N197 PolarHBondContact O-N 3.48Å; Q193-N197 PolarHBondContact O-OD1 2.85Å; Y194-N197 WeakPolarHBondContact O-CB 3.45Å; Y194-N197 PolarHBondContact O-N 3.03Å; N197-F200 WeakPolarHBondContact O-CB 3.46Å; N197-F200 PolarHBondContact O-N 2.81Å; N197-A201 PolarHBondContact O-N 2.61Å
198H97.1Very high96.4Very high116 Ų11665.6 Ų65.654%0.53733%0.327SS..Hα-helixtrans-66.5-38.1177-163.8-84.4000111.9Y194 N195 F200 A201 K202Y194-H198 PolarHBondContact O-N 2.9Å; N195-H198 PolarHBondContact O-N 2.95Å; H198-F200 VanDerWaalsContact C-N 3.32Å; H198-F200 PolarHBondContact O-N 2.98Å; H198-A201 PolarHBondContact O-N 3.18Å; H198-K202 WeakPolarHBondContact O-CB 3.49Å; H198-K202 PolarHBondContact O-N 3.42Å
199A97.2Very high96.6Very high31 Ų3164.3 Ų64.326%0.25633%0.328SS..Hα-helixtrans-61.5-40.8172.700000111.8N110 N195 A196 K202 A203N110-A199 HydrophobicContact CB-CB 4.19Å; N195-A199 PolarHBondContact O-N 2.91Å; A196-A199 PolarHBondContact O-N 3.37Å; A199-K202 PolarHBondContact O-N 3.48Å; A199-A203 PolarHBondContact O-N 3.06Å
200F97.5Very high96.7Very high34 Ų3465.8 Ų65.815%0.14934%0.341CS..Hα-helixtrans-63.6-47.2175.4179.4-123.7000111.8I49 Y52 T107 T111 A196 N197 H198 K202 A203 M204I49-F200 HydrophobicContact CG1-CE1 4.49Å; I49-F200 HydrophobicContact CG1-CZ 4.47Å; I49-F200 HydrophobicContact CG2-CE2 4.31Å; Y52-F200 HydrophobicContact CD1-CE2 4.21Å; Y52-F200 AromaticContact CD1-CZ 3.97Å; Y52-F200 HydrophobicContact CD1-CZ 3.97Å; Y52-F200 HydrophobicContact CE1-CE2 4.33Å; Y52-F200 HydrophobicContact CE1-CZ 4.1Å; T107-F200 HydrophobicContact CG2-CD2 3.49Å; T107-F200 VanDerWaalsContact CG2-CD2 3.49Å; T107-F200 HydrophobicContact CG2-CE2 3.83Å; T111-F200 HydrophobicContact CG2-CB 3.85Å; T111-F200 PolarHBondContact OG1-N 3.39Å; A196-F200 PolarHBondContact O-N 2.91Å; N197-F200 WeakPolarHBondContact O-CB 3.46Å; N197-F200 PolarHBondContact O-N 2.81Å; H198-F200 VanDerWaalsContact C-N 3.32Å; H198-F200 PolarHBondContact O-N 2.98Å; F200-K202 VanDerWaalsContact C-N 3.29Å; F200-K202 PolarHBondContact O-N 3.29Å; F200-A203 PolarHBondContact O-N 2.88Å; F200-A203 VanDerWaalsContact O-N 3.16Å; F200-M204 HydrophobicContact CD1-CE 3.73Å; F200-M204 HydrophobicContact CD1-SD 4.32Å; F200-M204 HydrophobicContact CD2-CG 4.44Å; F200-M204 HydrophobicContact CE1-CE 3.51Å; F200-M204 HydrophobicContact CE1-CG 4.42Å; F200-M204 HydrophobicContact CE1-SD 3.62Å; F200-M204 HydrophobicContact CE2-CG 4.03Å; F200-M204 HydrophobicContact CE2-SD 4.16Å; F200-M204 HydrophobicContact CG-CE 4.42Å; F200-M204 HydrophobicContact CZ-CE 4.04Å; F200-M204 HydrophobicContact CZ-CG 4.02Å; F200-M204 HydrophobicContact CZ-SD 3.52Å; F200-M204 VanDerWaalsContact CZ-SD 3.52Å; F200-M204 PolarHBondContact O-N 2.92Å
201A97.4Very high96.9Very high49 Ų4963.7 Ų63.741%0.40533%0.328SS..Hα-helixtrans-58.2-41.5176.400000112.1N197 H198 M204 L205N197-A201 PolarHBondContact O-N 2.61Å; H198-A201 PolarHBondContact O-N 3.18Å; A201-M204 PolarHBondContact O-N 2.99Å; A201-L205 WeakPolarHBondContact O-CB 3.31Å; A201-L205 PolarHBondContact O-N 3.22Å
202K97.6Very high97Very high128 Ų12862.3 Ų62.356%0.55732%0.323SS*.Hα-helixtrans-64.9-40.8176-171.6176.4-179.1-179.50112.3H198 A199 F200 L205 N206H198-K202 WeakPolarHBondContact O-CB 3.49Å; H198-K202 PolarHBondContact O-N 3.42Å; A199-K202 PolarHBondContact O-N 3.48Å; F200-K202 VanDerWaalsContact C-N 3.29Å; F200-K202 PolarHBondContact O-N 3.29Å; K202-L205 PolarHBondContact O-N 2.86Å; K202-N206 VanDerWaalsContact O-CG 3.27Å; K202-N206 PolarHBondContact O-N 3.48Å
203A97.1Very high97.2Very high6 Ų662.6 Ų62.65%0.0533%0.332CS..Hα-helixtrans-61.9-44.6175.800000111.5M103 N106 A199 F200 N206 F207M103-A203 HydrophobicContact CG-CB 4.05Å; N106-A203 HydrophobicContact CB-CB 4.23Å; A199-A203 PolarHBondContact O-N 3.06Å; F200-A203 PolarHBondContact O-N 2.88Å; F200-A203 VanDerWaalsContact O-N 3.16Å; A203-N206 PolarHBondContact O-N 3.03Å; A203-F207 PolarHBondContact O-N 2.9Å
204M96.8Very high97.3Very high49 Ų4961.8 Ų61.824%0.24133%0.329CS..Hα-helixtrans-62.2-43.4175.2-69.8-169.4-65.700112.3Y52 M103 F200 A201 N206 F207 H208Y52-M204 HydrophobicContact CE1-SD 4.47Å; M103-M204 HydrophobicContact SD-CG 4.06Å; F200-M204 HydrophobicContact CD1-CE 3.73Å; F200-M204 HydrophobicContact CD1-SD 4.32Å; F200-M204 HydrophobicContact CD2-CG 4.44Å; F200-M204 HydrophobicContact CE1-CE 3.51Å; F200-M204 HydrophobicContact CE1-CG 4.42Å; F200-M204 HydrophobicContact CE1-SD 3.62Å; F200-M204 HydrophobicContact CE2-CG 4.03Å; F200-M204 HydrophobicContact CE2-SD 4.16Å; F200-M204 HydrophobicContact CG-CE 4.42Å; F200-M204 HydrophobicContact CZ-CE 4.04Å; F200-M204 HydrophobicContact CZ-CG 4.02Å; F200-M204 HydrophobicContact CZ-SD 3.52Å; F200-M204 VanDerWaalsContact CZ-SD 3.52Å; F200-M204 PolarHBondContact O-N 2.92Å; A201-M204 PolarHBondContact O-N 2.99Å; M204-N206 VanDerWaalsContact C-N 3.34Å; M204-N206 PolarHBondContact O-N 3.04Å; M204-F207 WeakPolarHBondContact O-CB 3.41Å; M204-F207 PolarHBondContact O-N 3.23Å; M204-H208 PolarHBondContact O-CD2 3.27Å; M204-H208 PolarHBondContact O-N 3.18Å
205L97.8Very high97.4Very high97 Ų9758 Ų5851%0.50832%0.319SS..Hα-helixtrans-59.9-45.4177.4179.262.2000111.5A201 K202 F207 H208 N209A201-L205 WeakPolarHBondContact O-CB 3.31Å; A201-L205 PolarHBondContact O-N 3.22Å; K202-L205 PolarHBondContact O-N 2.86Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 2.79Å; L205-H208 PolarHBondContact O-N 3.43Å; L205-N209 WeakPolarHBondContact O-CB 3.36Å; L205-N209 VanDerWaalsContact O-CG 3.26Å; L205-N209 PolarHBondContact O-N 3.24Å; L205-N209 PolarHBondContact O-ND2 3.43Å
206N97.2Very high97.5Very high87 Ų8759.5 Ų59.547%0.46532%0.323SS..Hα-helixtrans-61.2-43.9177.8-71.6-9.3000111.7K202 A203 M204 N209 A210K202-N206 VanDerWaalsContact O-CG 3.27Å; K202-N206 PolarHBondContact O-N 3.48Å; A203-N206 PolarHBondContact O-N 3.03Å; M204-N206 VanDerWaalsContact C-N 3.34Å; M204-N206 PolarHBondContact O-N 3.04Å; N206-N209 PolarHBondContact O-N 3.01Å; N206-A210 WeakPolarHBondContact O-CB 3.48Å; N206-A210 PolarHBondContact O-N 3.02Å
207F97.7Very high97.5Very high21 Ų2166 Ų669%0.09235%0.353CS..Hα-helixtrans-57.9-51.1174161.3-111.4000112I96 A99 E100 M103 A203 M204 L205 N209 A210 A211I96-F207 HydrophobicContact CG2-CE2 3.96Å; I96-F207 HydrophobicContact CG2-CZ 4.34Å; A99-F207 HydrophobicContact CB-CD2 3.95Å; E100-F207 HydrophobicContact CB-CD2 4.06Å; E100-F207 HydrophobicContact CB-CE2 3.69Å; E100-F207 HydrophobicContact CB-CZ 4.41Å; E100-F207 HydrophobicContact CG-CE2 4.34Å; M103-F207 HydrophobicContact CB-CB 3.94Å; M103-F207 HydrophobicContact CG-CB 4.18Å; M103-F207 HydrophobicContact SD-CB 3.82Å; M103-F207 HydrophobicContact SD-CD1 3.97Å; M103-F207 HydrophobicContact SD-CG 3.98Å; A203-F207 PolarHBondContact O-N 2.9Å; M204-F207 WeakPolarHBondContact O-CB 3.41Å; M204-F207 PolarHBondContact O-N 3.23Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 2.79Å; F207-N209 VanDerWaalsContact C-N 3.33Å; F207-N209 PolarHBondContact O-N 3.48Å; F207-A210 PolarHBondContact O-N 3.16Å; F207-A211 HydrophobicContact CE2-CB 4.49Å; F207-A211 WeakPolarHBondContact O-CB 3.28Å; F207-A211 PolarHBondContact O-N 3.21Å
208H98Very high97.5Very high92 Ų9264.8 Ų64.843%0.42634%0.344SS..Hα-helixtrans-62.9-39.6-179.1-74.4-55.3000112.3M204 L205 A211 I212M204-H208 PolarHBondContact O-CD2 3.27Å; M204-H208 PolarHBondContact O-N 3.18Å; L205-H208 PolarHBondContact O-N 3.43Å; H208-A211 PolarHBondContact O-N 3.32Å; H208-I212 WeakPolarHBondContact O-CB 3.48Å; H208-I212 WeakPolarHBondContact O-CD1 3.43Å; H208-I212 VanDerWaalsContact O-CG1 3.24Å; H208-I212 WeakPolarHBondContact O-CG1 3.31Å; H208-I212 PolarHBondContact O-N 3.26Å
209N98.2Very high97.4Very high86 Ų8665.4 Ų65.446%0.4635%0.35SS..Hα-helixtrans-62.8-44.9175.2-72.6-20.2000112L205 N206 F207 A211 I212 A213L205-N209 WeakPolarHBondContact O-CB 3.36Å; L205-N209 VanDerWaalsContact O-CG 3.26Å; L205-N209 PolarHBondContact O-N 3.24Å; L205-N209 PolarHBondContact O-ND2 3.43Å; N206-N209 PolarHBondContact O-N 3.01Å; F207-N209 VanDerWaalsContact C-N 3.33Å; F207-N209 PolarHBondContact O-N 3.48Å; N209-A211 VanDerWaalsContact C-N 3.32Å; N209-A211 PolarHBondContact O-N 3.31Å; N209-I212 PolarHBondContact O-N 2.94Å; N209-A213 WeakPolarHBondContact O-CB 3.37Å; N209-A213 PolarHBondContact O-N 3.14Å
210A97.8Very high97.3Very high38 Ų3870.6 Ų70.631%0.31437%0.374SS..Hα-helixtrans-62.8-39.9175.900000111.7A99 N206 F207 A213 A214A99-A210 HydrophobicContact CB-CB 3.71Å; N206-A210 WeakPolarHBondContact O-CB 3.48Å; N206-A210 PolarHBondContact O-N 3.02Å; F207-A210 PolarHBondContact O-N 3.16Å; A210-A213 PolarHBondContact O-N 3.49Å; A210-A214 WeakPolarHBondContact O-CB 3.37Å; A210-A214 PolarHBondContact O-N 3.11Å
211A98Very high96.5Very high10 Ų1076.3 Ų76.38%0.08340%0.401CS..Hα-helixtrans-66.4-43.2177.700000112.5I96 F207 H208 N209 A214 L215I96-A211 HydrophobicContact CG1-CB 4.11Å; I96-A211 HydrophobicContact CG2-CB 4.06Å; F207-A211 HydrophobicContact CE2-CB 4.49Å; F207-A211 WeakPolarHBondContact O-CB 3.28Å; F207-A211 PolarHBondContact O-N 3.21Å; H208-A211 PolarHBondContact O-N 3.32Å; N209-A211 VanDerWaalsContact C-N 3.32Å; N209-A211 PolarHBondContact O-N 3.31Å; A211-A214 PolarHBondContact O-N 3.5Å; A211-L215 VanDerWaalsContact O-CG 3.32Å; A211-L215 WeakPolarHBondContact O-CG 3.34Å; A211-L215 PolarHBondContact O-N 2.65Å
212I98Very high96.4Very high88 Ų8877.7 Ų77.745%0.45140%0.4SS..Hα-helixtrans-60.5-46.8174.9-71.2164.6000110.4H208 N209 A214 L215 Q216H208-I212 WeakPolarHBondContact O-CB 3.48Å; H208-I212 WeakPolarHBondContact O-CD1 3.43Å; H208-I212 VanDerWaalsContact O-CG1 3.24Å; H208-I212 WeakPolarHBondContact O-CG1 3.31Å; H208-I212 PolarHBondContact O-N 3.26Å; N209-I212 PolarHBondContact O-N 2.94Å; I212-A214 VanDerWaalsContact C-N 3.35Å; I212-A214 PolarHBondContact O-N 2.87Å; I212-L215 PolarHBondContact O-N 2.89Å; I212-Q216 HydrophobicContact CG2-CG 4.32Å; I212-Q216 WeakPolarHBondContact O-CB 3.36Å; I212-Q216 WeakPolarHBondContact O-CG 3.42Å; I212-Q216 PolarHBondContact O-N 3.31Å
213A97.8Very high96.4Very high52 Ų5275 Ų7543%0.4339%0.392SS..Hα-helixtrans-60.4-43.4178.700000112N209 A210 Q216 Q217N209-A213 WeakPolarHBondContact O-CB 3.37Å; N209-A213 PolarHBondContact O-N 3.14Å; A210-A213 PolarHBondContact O-N 3.49Å; A213-Q216 PolarHBondContact O-N 3.43Å; A213-Q217 WeakPolarHBondContact O-CB 3.26Å; A213-Q217 PolarHBondContact O-N 3.26Å
214A97.7Very high96.3Very high7 Ų778.8 Ų78.86%0.05841%0.411CS..Hα-helixtrans-62.1-44.2176.600000112.1C92 T95 I96 A210 A211 I212 Q217 Y218C92-A214 PolarHBondContact SG-O 2.89Å; T95-A214 HydrophobicContact CG2-CB 3.98Å; I96-A214 HydrophobicContact CG1-CB 4.05Å; A210-A214 WeakPolarHBondContact O-CB 3.37Å; A210-A214 PolarHBondContact O-N 3.11Å; A211-A214 PolarHBondContact O-N 3.5Å; I212-A214 VanDerWaalsContact C-N 3.35Å; I212-A214 PolarHBondContact O-N 2.87Å; A214-Q217 PolarHBondContact O-N 2.88Å; A214-Y218 PolarHBondContact O-N 3.28Å
215L97.9Very high96.3Very high72 Ų7280.6 Ų80.638%0.37742%0.421SS..Hα-helixtrans-64.5-43.6177.3-72167.8000111.9I96 A211 I212 Q217 Y218 L219I96-L215 HydrophobicContact CD1-CD2 4.16Å; I96-L215 HydrophobicContact CD1-CG 4.1Å; A211-L215 VanDerWaalsContact O-CG 3.32Å; A211-L215 WeakPolarHBondContact O-CG 3.34Å; A211-L215 PolarHBondContact O-N 2.65Å; I212-L215 PolarHBondContact O-N 2.89Å; L215-Q217 VanDerWaalsContact C-N 3.34Å; L215-Q217 PolarHBondContact O-N 3.48Å; L215-Y218 PolarHBondContact O-N 2.86Å; L215-L219 WeakPolarHBondContact O-CB 3.48Å; L215-L219 VanDerWaalsContact O-CG 3.27Å; L215-L219 WeakPolarHBondContact O-CG 3.25Å; L215-L219 PolarHBondContact O-N 3.32Å
216Q97.7Very high96.2Very high113 Ų11379.6 Ų79.653%0.52842%0.416SS..Hα-helixtrans-61.7-42.5175.9-74.6175.5-21.300111.6I212 A213 Y218 L219 N220I212-Q216 HydrophobicContact CG2-CG 4.32Å; I212-Q216 WeakPolarHBondContact O-CB 3.36Å; I212-Q216 WeakPolarHBondContact O-CG 3.42Å; I212-Q216 PolarHBondContact O-N 3.31Å; A213-Q216 PolarHBondContact O-N 3.43Å; Q216-Y218 VanDerWaalsContact C-N 3.3Å; Q216-Y218 PolarHBondContact O-N 3.29Å; Q216-L219 PolarHBondContact O-N 2.91Å; Q216-N220 WeakPolarHBondContact O-CB 3.48Å; Q216-N220 VanDerWaalsContact O-CG 3.27Å; Q216-N220 PolarHBondContact O-N 2.81Å; Q216-N220 VanDerWaalsContact O-N 3.16Å; Q216-N220 PolarHBondContact O-ND2 3.06Å; Q216-N220 VanDerWaalsContact O-ND2 3.09Å
217Q96.2Very high96.1Very high139 Ų13979.1 Ų79.165%0.6541%0.413SS*.Hα-helixtrans-62.3-38176.4-173.21792.100112A213 A214 L215 Q221A213-Q217 WeakPolarHBondContact O-CB 3.26Å; A213-Q217 PolarHBondContact O-N 3.26Å; A214-Q217 PolarHBondContact O-N 2.88Å; L215-Q217 VanDerWaalsContact C-N 3.34Å; L215-Q217 PolarHBondContact O-N 3.48Å; Q217-Q221 VanDerWaalsContact O-CG 3.25Å; Q217-Q221 WeakPolarHBondContact O-CG 3.43Å
218Y96.6Very high96Very high46 Ų4683.2 Ų83.218%0.1844%0.435CS..Hα-helixtrans-69.4-42.6175.9169.5-107.3000112.8N85 A88 F89 C92 A214 L215 Q216 N220 Q221N85-Y218 PolarHBondContact ND2-OH 3.37Å; N85-Y218 PolarHBondContact OD1-OH 3.32Å; A88-Y218 HydrophobicContact CB-CD2 4.06Å; A88-Y218 HydrophobicContact CB-CE2 4.16Å; F89-Y218 HydrophobicContact CB-CD2 4.36Å; F89-Y218 HydrophobicContact CB-CE2 3.67Å; F89-Y218 HydrophobicContact CD2-CD1 4.37Å; F89-Y218 AromaticContact CD2-CE1 3.86Å; F89-Y218 HydrophobicContact CD2-CE1 3.86Å; F89-Y218 HydrophobicContact CD2-CE2 4.22Å; F89-Y218 AromaticContact CD2-CZ 3.78Å; F89-Y218 HydrophobicContact CG-CE2 4.46Å; C92-Y218 HydrophobicContact CB-CG 4.3Å; A214-Y218 PolarHBondContact O-N 3.28Å; L215-Y218 PolarHBondContact O-N 2.86Å; Q216-Y218 VanDerWaalsContact C-N 3.3Å; Q216-Y218 PolarHBondContact O-N 3.29Å; Y218-N220 VanDerWaalsContact C-N 3.27Å; Y218-N220 PolarHBondContact O-N 3.31Å; Y218-Q221 WeakPolarHBondContact O-CG 3.3Å; Y218-Q221 PolarHBondContact O-N 3.11Å
219L96.2Very high95.9Very high128 Ų12882.5 Ų82.567%0.6744%0.436SS*.Hα-helixtrans-70.4-21.5-177.5-70.9171.9000113.8L215 Q216L215-L219 WeakPolarHBondContact O-CB 3.48Å; L215-L219 VanDerWaalsContact O-CG 3.27Å; L215-L219 WeakPolarHBondContact O-CG 3.25Å; L215-L219 PolarHBondContact O-N 3.32Å; Q216-L219 PolarHBondContact O-N 2.91Å
220N93.2Very high95.7Very high141 Ų14182.3 Ų82.375%0.75443%0.434SS*.THydrogen-bonded Turntrans-95.413.8-178.6-67.7-29.3000113.9Q216 Y218Q216-N220 WeakPolarHBondContact O-CB 3.48Å; Q216-N220 VanDerWaalsContact O-CG 3.27Å; Q216-N220 PolarHBondContact O-N 2.81Å; Q216-N220 VanDerWaalsContact O-N 3.16Å; Q216-N220 PolarHBondContact O-ND2 3.06Å; Q216-N220 VanDerWaalsContact O-ND2 3.09Å; Y218-N220 VanDerWaalsContact C-N 3.27Å; Y218-N220 PolarHBondContact O-N 3.31Å
221Q81.2Confident95.5Very high153 Ų15386.3 Ų86.372%0.71545%0.445SS*.  trans-84.30-178.7-63.3-168.38.400115Q217 Y218Q217-Q221 VanDerWaalsContact O-CG 3.25Å; Q217-Q221 WeakPolarHBondContact O-CG 3.43Å; Y218-Q221 WeakPolarHBondContact O-CG 3.3Å; Y218-Q221 PolarHBondContact O-N 3.11Å

Retrieved 221 of 221 residues in 804.3 ms (Link to these results)

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