A0A077ZCM8_TRITR Loading...

EfThoc1 and Death domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCM8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 725 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
1M39.1Very low66.8Low202 Ų20277.5 Ų77.5100%0.99542%0.422SS*.  0-1630-86.1148.6157.300107.2D23M1-D23 VanDerWaalsContact C-OD2 3.25Å; M1-D23 WeakPolarHBondContact CA-OD2 3.31Å; M1-D23 HydrophobicContact CB-CB 4.1Å; M1-D23 WeakPolarHBondContact CB-OD2 3.23Å; M1-D23 PolarHBondContact N-OD2 2.79Å
2K47.2Very low67.2Low202 Ų20275.4 Ų75.488%0.87841%0.406SS*.PPolyproline II helixtrans-103.9117.9160.5-76.5-176178.5178.50107.5
3L57.1Low67.5Low17 Ų1781.9 Ų81.99%0.08943%0.432CS..PPolyproline II helixtrans-50.3135.1169.2-82.2158.3000109.7K12 L16 D23 A26L3-K12 HydrophobicContact CB-CD 3.76Å; L3-K12 HydrophobicContact CB-CG 4.3Å; L3-K12 HydrophobicContact CD1-CB 3.66Å; L3-K12 HydrophobicContact CD1-CD 3.86Å; L3-K12 HydrophobicContact CD1-CG 3.6Å; L3-K12 HydrophobicContact CG-CD 4.45Å; L3-K12 PolarHBondContact O-NZ 3.49Å; L3-L16 HydrophobicContact CD1-CD1 4.01Å; L3-L16 HydrophobicContact CD1-CD2 4.11Å; L3-L16 HydrophobicContact CD1-CG 3.98Å; L3-D23 VanDerWaalsContact CG-OD1 3.23Å; L3-D23 WeakPolarHBondContact CG-OD1 3.46Å; L3-A26 HydrophobicContact CD2-CB 3.81Å
4P63.9Low67.5Low26 Ų2686 Ų8617%0.16945%0.445CS..PPolyproline II helixtrans-57.5152.8-175.325-33.5000111.3N6 V7 K12 V30P4-N6 WeakPolarHBondContact CB-OD1 3.45Å; P4-N6 PolarHBondContact O-N 3.49Å; P4-N6 VanDerWaalsContact O-N 3.15Å; P4-V7 HydrophobicContact CG-CG2 3.96Å; P4-V7 PolarHBondContact O-N 3.48Å; P4-K12 PolarHBondContact O-NZ 3.19Å; P4-V30 HydrophobicContact CB-CG1 4.44Å; P4-V30 HydrophobicContact CB-CG2 4.43Å; P4-V30 HydrophobicContact CG-CB 4.33Å; P4-V30 HydrophobicContact CG-CG2 3.82Å
5S75.5Confident67.5Low122 Ų12281 Ų8185%0.85342%0.42SS*.THydrogen-bonded Turntrans-67.8-15.5-166.846.30000114.2
6N72.6Confident67.4Low27 Ų2781.9 Ų81.914%0.14443%0.425CS..THydrogen-bonded Turntrans-94.17178.965.3-31.5000114.4P4 V30 N65P4-N6 WeakPolarHBondContact CB-OD1 3.45Å; P4-N6 PolarHBondContact O-N 3.49Å; P4-N6 VanDerWaalsContact O-N 3.15Å; N6-V30 WeakPolarHBondContact ND2-CG1 3.34Å; N6-V30 VanDerWaalsContact ND2-CG2 3.33Å; N6-V30 WeakPolarHBondContact ND2-CG2 3.4Å; N6-V30 WeakPolarHBondContact OD1-CG2 3.48Å; N6-N65 PolarHBondContact O-ND2 3.27Å
7V75.6Confident67.4Low3 Ų381.3 Ų81.32%0.01844%0.443CS..SBendtrans-97130.2168.8173.30000108.4P4 T11 K12 A26 D61P4-V7 HydrophobicContact CG-CG2 3.96Å; P4-V7 PolarHBondContact O-N 3.48Å; V7-T11 HydrophobicContact CG1-CG2 3.35Å; V7-K12 HydrophobicContact CG1-CG 4.31Å; V7-K12 WeakPolarHBondContact O-CE 3.33Å; V7-A26 HydrophobicContact CG2-CB 4.27Å; V7-D61 VanDerWaalsContact CA-OD2 3.31Å; V7-D61 WeakPolarHBondContact CA-OD2 3.35Å
8S79.6Confident67.7Low19 Ų1986.2 Ų86.213%0.13346%0.459CS..  trans-67.4149.5-172.5720000111.9L10 T11 K12 D61 N65S8-L10 PolarHBondContact O-N 3.24Å; S8-L10 VanDerWaalsContact O-N 3.12Å; S8-T11 WeakPolarHBondContact O-CB 3.39Å; S8-T11 PolarHBondContact O-N 3.32Å; S8-T11 VanDerWaalsContact O-N 3.08Å; S8-T11 PolarHBondContact OG-N 3.38Å; S8-T11 PolarHBondContact OG-OG1 3.34Å; S8-K12 VanDerWaalsContact O-CG 3.28Å; S8-K12 WeakPolarHBondContact O-CG 3.47Å; S8-K12 PolarHBondContact O-N 3.14Å; S8-K12 VanDerWaalsContact O-N 3.09Å; S8-D61 WeakPolarHBondContact CB-OD1 3.17Å; S8-D61 PolarHBondContact N-OD2 3.24Å; S8-D61 PolarHBondContact OG-OD1 2.95Å; S8-N65 PolarHBondContact N-ND2 3.22Å
9P78.1Confident68.1Low110 Ų11081.7 Ų81.771%0.71444%0.436SS*.Hα-helixtrans-54.3-31.6176.6-26.835.5000113.7K12 H13P9-K12 PolarHBondContact O-N 3.42Å; P9-H13 PolarHBondContact O-N 3.46Å
10L70.8Confident68.4Low122 Ų12283.5 Ų83.564%0.63945%0.452SS*.Hα-helixtrans-67.3-45.9177.3-174.465.5000111.5S8 K12 H13 F14S8-L10 PolarHBondContact O-N 3.24Å; S8-L10 VanDerWaalsContact O-N 3.12Å; L10-K12 VanDerWaalsContact C-N 3.28Å; L10-K12 PolarHBondContact O-N 3.48Å; L10-H13 PolarHBondContact O-N 3.29Å; L10-F14 WeakPolarHBondContact O-CB 3.42Å; L10-F14 PolarHBondContact O-N 3.2Å
11T75.2Confident69.2Low2 Ų282.5 Ų82.51%0.01245%0.446CS..Hα-helixtrans-58.1-41171.8-63.60000111.7V7 S8 H13 F14 V15 Y57 L58 D61V7-T11 HydrophobicContact CG1-CG2 3.35Å; S8-T11 WeakPolarHBondContact O-CB 3.39Å; S8-T11 PolarHBondContact O-N 3.32Å; S8-T11 VanDerWaalsContact O-N 3.08Å; S8-T11 PolarHBondContact OG-N 3.38Å; S8-T11 PolarHBondContact OG-OG1 3.34Å; T11-H13 PolarHBondContact O-N 3.22Å; T11-F14 PolarHBondContact O-N 3.48Å; T11-V15 HydrophobicContact CG2-CG2 4.13Å; T11-V15 WeakPolarHBondContact O-CG2 3.5Å; T11-V15 PolarHBondContact O-N 3.12Å; T11-Y57 HydrophobicContact CG2-CD1 4.42Å; T11-Y57 HydrophobicContact CG2-CE1 3.69Å; T11-Y57 VanDerWaalsContact OG1-CE1 3.29Å; T11-Y57 WeakPolarHBondContact OG1-CE1 3.35Å; T11-Y57 PolarHBondContact OG1-OH 3.08Å; T11-L58 HydrophobicContact CG2-CD2 3.89Å; T11-D61 PolarHBondContact OG1-OD1 3.49Å; T11-D61 PolarHBondContact OG1-OD2 3.07Å
12K71.8Confident71.5Confident53 Ų5372.9 Ų72.923%0.2340%0.399CS..Hα-helixtrans-58.8-48.4175.6-45.4-158.1176-169.40110.4L3 P4 V7 S8 P9 L10 L16L3-K12 HydrophobicContact CB-CD 3.76Å; L3-K12 HydrophobicContact CB-CG 4.3Å; L3-K12 HydrophobicContact CD1-CB 3.66Å; L3-K12 HydrophobicContact CD1-CD 3.86Å; L3-K12 HydrophobicContact CD1-CG 3.6Å; L3-K12 HydrophobicContact CG-CD 4.45Å; L3-K12 PolarHBondContact O-NZ 3.49Å; P4-K12 PolarHBondContact O-NZ 3.19Å; V7-K12 HydrophobicContact CG1-CG 4.31Å; V7-K12 WeakPolarHBondContact O-CE 3.33Å; S8-K12 VanDerWaalsContact O-CG 3.28Å; S8-K12 WeakPolarHBondContact O-CG 3.47Å; S8-K12 PolarHBondContact O-N 3.14Å; S8-K12 VanDerWaalsContact O-N 3.09Å; P9-K12 PolarHBondContact O-N 3.42Å; L10-K12 VanDerWaalsContact C-N 3.28Å; L10-K12 PolarHBondContact O-N 3.48Å; K12-L16 HydrophobicContact CB-CD1 4.36Å; K12-L16 WeakPolarHBondContact O-CB 3.42Å; K12-L16 VanDerWaalsContact O-CD1 3.27Å; K12-L16 WeakPolarHBondContact O-CD1 3.47Å; K12-L16 WeakPolarHBondContact O-CG 3.42Å; K12-L16 PolarHBondContact O-N 3.09Å
13H71.3Confident73.4Confident160 Ų16064.2 Ų64.274%0.74136%0.362SS*.Hα-helixtrans-67.2-44.7-178.9-169.17.1000113.2P9 L10 T11P9-H13 PolarHBondContact O-N 3.46Å; L10-H13 PolarHBondContact O-N 3.29Å; T11-H13 PolarHBondContact O-N 3.22Å
14F67.7Low75Confident139 Ų13964.7 Ų64.761%0.6137%0.368SS*.Hα-helixtrans-69.1-43.6-175-171-102.6000112.2L10 T11L10-F14 WeakPolarHBondContact O-CB 3.42Å; L10-F14 PolarHBondContact O-N 3.2Å; T11-F14 PolarHBondContact O-N 3.48Å
15V67Low76.4Confident11 Ų1163.4 Ų63.47%0.06736%0.36CS..Hα-helixtrans-94.4-25.5-168.2-161.20000113.5T11 G17 F18 C19 I22 Y57T11-V15 HydrophobicContact CG2-CG2 4.13Å; T11-V15 WeakPolarHBondContact O-CG2 3.5Å; T11-V15 PolarHBondContact O-N 3.12Å; V15-G17 PolarHBondContact O-N 3.21Å; V15-F18 PolarHBondContact O-N 3.35Å; V15-C19 HydrophobicContact CG1-CB 4.13Å; V15-C19 PolarHBondContact O-N 3.47Å; V15-I22 HydrophobicContact CB-CD1 4.31Å; V15-I22 HydrophobicContact CB-CG1 3.9Å; V15-I22 HydrophobicContact CG1-CB 4Å; V15-I22 HydrophobicContact CG1-CD1 3.43Å; V15-I22 VanDerWaalsContact CG1-CD1 3.43Å; V15-I22 HydrophobicContact CG1-CG1 3.42Å; V15-I22 VanDerWaalsContact CG1-CG1 3.42Å; V15-Y57 HydrophobicContact CG2-CD1 4.27Å; V15-Y57 HydrophobicContact CG2-CE1 3.9Å
16L66.4Low77.1Confident96 Ų9657.6 Ų57.650%0.50332%0.32SS..Hα-helixtrans-60.5-25173.7-76.3172.7000113.1L3 K12 I22L3-L16 HydrophobicContact CD1-CD1 4.01Å; L3-L16 HydrophobicContact CD1-CD2 4.11Å; L3-L16 HydrophobicContact CD1-CG 3.98Å; K12-L16 HydrophobicContact CB-CD1 4.36Å; K12-L16 WeakPolarHBondContact O-CB 3.42Å; K12-L16 VanDerWaalsContact O-CD1 3.27Å; K12-L16 WeakPolarHBondContact O-CD1 3.47Å; K12-L16 WeakPolarHBondContact O-CG 3.42Å; K12-L16 PolarHBondContact O-N 3.09Å; L16-I22 HydrophobicContact CD2-CG2 3.75Å; L16-I22 HydrophobicContact CG-CG2 4.34Å
17G67.4Low78.1Confident71 Ų7160.4 Ų60.473%0.73233%0.332SS*.THydrogen-bonded Turntrans-77.3-17.5174.700000114.8V15V15-G17 PolarHBondContact O-N 3.21Å
18F72.2Confident79Confident169 Ų16960.3 Ų60.374%0.74133%0.331SS*.THydrogen-bonded Turntrans-113-26.3-172.6-85.3-86.4000114.5V15V15-F18 PolarHBondContact O-N 3.35Å
19C74.7Confident79.7Confident2 Ų259.4 Ų59.41%0.01433%0.325CS..  trans-140.6102.7-168.8170.90000110.9V15 N21 I22 L44V15-C19 HydrophobicContact CG1-CB 4.13Å; V15-C19 PolarHBondContact O-N 3.47Å; C19-N21 PolarHBondContact O-N 3.47Å; C19-I22 HydrophobicContact CB-CB 4.04Å; C19-I22 WeakPolarHBondContact O-CB 3.5Å; C19-I22 VanDerWaalsContact O-CG2 3.28Å; C19-I22 WeakPolarHBondContact O-CG2 3.39Å; C19-I22 PolarHBondContact O-N 3.5Å; C19-I22 PolarHBondContact SG-N 3.13Å; C19-L44 HydrophobicContact CB-CD1 3.91Å; C19-L44 HydrophobicContact CB-CD2 4.48Å; C19-L44 WeakPolarHBondContact SG-CD1 2.85Å
20P75.6Confident80.4Confident117 Ų11755.3 Ų55.376%0.7630%0.298SS*.THydrogen-bonded Turntrans-63.2-27.2-179.125.4-33.8000112.8I22P20-I22 VanDerWaalsContact C-N 3.32Å; P20-I22 PolarHBondContact O-N 2.64Å
21N84.2Confident81.5Confident62 Ų6256 Ų5633%0.33230%0.296SS..THydrogen-bonded Turntrans-88.510.1178.4-66-10.8000113.3C19 D23 A24 I25 S43C19-N21 PolarHBondContact O-N 3.47Å; N21-D23 VanDerWaalsContact C-N 3.27Å; N21-D23 PolarHBondContact O-N 3.31Å; N21-A24 PolarHBondContact O-N 3.38Å; N21-I25 PolarHBondContact O-N 3.42Å; N21-I25 VanDerWaalsContact O-N 3.08Å; N21-S43 PolarHBondContact ND2-OG 2.89Å
22I86.8Confident82.5Confident1 Ų158 Ų581%0.00530%0.304CS..Hα-helixtrans-63.4-34.2-173.5-167.964.1000112.5V15 L16 C19 P20 A24 I25 A26 I54 L58V15-I22 HydrophobicContact CB-CD1 4.31Å; V15-I22 HydrophobicContact CB-CG1 3.9Å; V15-I22 HydrophobicContact CG1-CB 4Å; V15-I22 HydrophobicContact CG1-CD1 3.43Å; V15-I22 VanDerWaalsContact CG1-CD1 3.43Å; V15-I22 HydrophobicContact CG1-CG1 3.42Å; V15-I22 VanDerWaalsContact CG1-CG1 3.42Å; L16-I22 HydrophobicContact CD2-CG2 3.75Å; L16-I22 HydrophobicContact CG-CG2 4.34Å; C19-I22 HydrophobicContact CB-CB 4.04Å; C19-I22 WeakPolarHBondContact O-CB 3.5Å; C19-I22 VanDerWaalsContact O-CG2 3.28Å; C19-I22 WeakPolarHBondContact O-CG2 3.39Å; C19-I22 PolarHBondContact O-N 3.5Å; C19-I22 PolarHBondContact SG-N 3.13Å; P20-I22 VanDerWaalsContact C-N 3.32Å; P20-I22 PolarHBondContact O-N 2.64Å; I22-A24 PolarHBondContact O-N 3.03Å; I22-I25 HydrophobicContact CD1-CB 4.33Å; I22-I25 HydrophobicContact CD1-CG2 4.45Å; I22-I25 PolarHBondContact O-N 3.35Å; I22-A26 WeakPolarHBondContact O-CB 3.5Å; I22-A26 PolarHBondContact O-N 3.37Å; I22-I54 HydrophobicContact CD1-CG2 3.85Å; I22-L58 HydrophobicContact CD1-CD1 3.92Å; I22-L58 HydrophobicContact CD1-CD2 4.42Å
23D87.2Confident83.7Confident20 Ų2058.8 Ų58.811%0.10731%0.31CS..Hα-helixtrans-55.8-41.9174.8-73.719.4000111.5M1 L3 N21 H27M1-D23 VanDerWaalsContact C-OD2 3.25Å; M1-D23 WeakPolarHBondContact CA-OD2 3.31Å; M1-D23 HydrophobicContact CB-CB 4.1Å; M1-D23 WeakPolarHBondContact CB-OD2 3.23Å; M1-D23 PolarHBondContact N-OD2 2.79Å; L3-D23 VanDerWaalsContact CG-OD1 3.23Å; L3-D23 WeakPolarHBondContact CG-OD1 3.46Å; N21-D23 VanDerWaalsContact C-N 3.27Å; N21-D23 PolarHBondContact O-N 3.31Å; D23-H27 WeakPolarHBondContact O-CB 3.49Å; D23-H27 PolarHBondContact O-N 2.87Å
24A92.1Very high84.9Confident26 Ų2651.7 Ų51.722%0.21528%0.278CS..Hα-helixtrans-74.8-42.4-179.300000111.8N21 I22 H27 A28 Q40N21-A24 PolarHBondContact O-N 3.38Å; I22-A24 PolarHBondContact O-N 3.03Å; A24-H27 PolarHBondContact O-N 3.23Å; A24-A28 WeakPolarHBondContact O-CB 3.44Å; A24-A28 PolarHBondContact O-N 3.2Å; A24-Q40 HydrophobicContact CB-CG 3.97Å; A24-Q40 VanDerWaalsContact CB-OE1 3.27Å
25I92.5Very high86.2Confident0 Ų050.8 Ų50.80%028%0.276CS..Hα-helixtrans-60.8-52174.6-63.8170.1000110.1N21 I22 H27 A28 V29 L37 Q40 L41 L44 I54 L58N21-I25 PolarHBondContact O-N 3.42Å; N21-I25 VanDerWaalsContact O-N 3.08Å; I22-I25 HydrophobicContact CD1-CB 4.33Å; I22-I25 HydrophobicContact CD1-CG2 4.45Å; I22-I25 PolarHBondContact O-N 3.35Å; I25-H27 VanDerWaalsContact C-N 3.32Å; I25-H27 PolarHBondContact O-N 3.02Å; I25-A28 WeakPolarHBondContact O-CB 3.48Å; I25-A28 PolarHBondContact O-N 2.89Å; I25-A28 VanDerWaalsContact O-N 3.13Å; I25-V29 WeakPolarHBondContact O-CG2 3.48Å; I25-V29 PolarHBondContact O-N 2.91Å; I25-L37 HydrophobicContact CG2-CD1 3.74Å; I25-Q40 HydrophobicContact CG1-CB 3.59Å; I25-L41 HydrophobicContact CD1-CD2 4.21Å; I25-L41 HydrophobicContact CG2-CD2 4.31Å; I25-L44 HydrophobicContact CD1-CD2 3.71Å; I25-I54 HydrophobicContact CG2-CG2 4.45Å; I25-L58 HydrophobicContact CG2-CD1 3.63Å
26A91.5Very high87.6Confident0 Ų052 Ų520%029%0.285CS..Hα-helixtrans-60-41.6178.200000111.7L3 V7 I22 V29 V30 L58L3-A26 HydrophobicContact CD2-CB 3.81Å; V7-A26 HydrophobicContact CG2-CB 4.27Å; I22-A26 WeakPolarHBondContact O-CB 3.5Å; I22-A26 PolarHBondContact O-N 3.37Å; A26-V29 PolarHBondContact O-N 3.22Å; A26-V30 WeakPolarHBondContact O-CB 3.33Å; A26-V30 VanDerWaalsContact O-CG2 3.23Å; A26-V30 WeakPolarHBondContact O-CG2 3.17Å; A26-V30 PolarHBondContact O-N 3.17Å; A26-L58 HydrophobicContact CB-CD1 4.38Å; A26-L58 HydrophobicContact CB-CD2 4.06Å
27H92.3Very high89Confident86 Ų8647.4 Ų47.440%0.39826%0.261SS..Hα-helixtrans-64.8-37.2175.2177-104.8000112.8D23 A24 I25 K31D23-H27 WeakPolarHBondContact O-CB 3.49Å; D23-H27 PolarHBondContact O-N 2.87Å; A24-H27 PolarHBondContact O-N 3.23Å; I25-H27 VanDerWaalsContact C-N 3.32Å; I25-H27 PolarHBondContact O-N 3.02Å; H27-K31 VanDerWaalsContact CE1-CE 3.45Å; H27-K31 WeakPolarHBondContact CE1-CE 3.24Å; H27-K31 PolarHBondContact CE1-NZ 3.25Å; H27-K31 WeakPolarHBondContact NE2-CE 3.42Å; H27-K31 PolarHBondContact NE2-NZ 3.35Å; H27-K31 WeakPolarHBondContact O-CB 3.42Å; H27-K31 WeakPolarHBondContact O-CG 3.44Å; H27-K31 PolarHBondContact O-N 3.28Å
28A94.4Very high90.3Very high1 Ų147.6 Ų47.61%0.00824%0.241CC..Hα-helixtrans-65.6-44.4172.900000112.1A24 I25 V30 K31 Y32 D33 L37A24-A28 WeakPolarHBondContact O-CB 3.44Å; A24-A28 PolarHBondContact O-N 3.2Å; I25-A28 WeakPolarHBondContact O-CB 3.48Å; I25-A28 PolarHBondContact O-N 2.89Å; I25-A28 VanDerWaalsContact O-N 3.13Å; A28-V30 PolarHBondContact O-N 3.13Å; A28-K31 PolarHBondContact O-N 3.17Å; A28-Y32 PolarHBondContact O-N 3.23Å; A28-D33 PolarHBondContact O-N 3.23Å; A28-L37 HydrophobicContact CB-CB 4.02Å; A28-L37 HydrophobicContact CB-CD1 4.49Å
29V93.7Very high91.4Very high0 Ų043.5 Ų43.50%023%0.23CC..Hα-helixtrans-60.5-44.7174.3177.70000111.2I25 A26 K31 Y32 L37 L58 L59 I62 F83I25-V29 WeakPolarHBondContact O-CG2 3.48Å; I25-V29 PolarHBondContact O-N 2.91Å; A26-V29 PolarHBondContact O-N 3.22Å; V29-K31 VanDerWaalsContact C-N 3.31Å; V29-K31 PolarHBondContact O-N 3.03Å; V29-Y32 WeakPolarHBondContact O-CD1 3.27Å; V29-Y32 PolarHBondContact O-N 3.21Å; V29-Y32 VanDerWaalsContact O-N 3.14Å; V29-L37 HydrophobicContact CG2-CD1 3.79Å; V29-L37 HydrophobicContact CG2-CD2 4.16Å; V29-L58 HydrophobicContact CG1-CB 4.37Å; V29-L58 HydrophobicContact CG2-CB 4.44Å; V29-L58 HydrophobicContact CG2-CD1 4.17Å; V29-L59 HydrophobicContact CG1-CD2 3.56Å; V29-L59 HydrophobicContact CG1-CG 4.06Å; V29-I62 HydrophobicContact CB-CD1 4.33Å; V29-I62 HydrophobicContact CG1-CD1 3.54Å; V29-F83 HydrophobicContact CB-CE1 4.48Å; V29-F83 HydrophobicContact CG1-CE1 4.16Å; V29-F83 HydrophobicContact CG2-CE1 4.49Å
30V93.3Very high92.3Very high24 Ų2445.7 Ų45.715%0.14524%0.24CC..Hα-helixtrans-66.9-31.5-180168.80000112.8P4 N6 A26 A28 Y32 I62 R76P4-V30 HydrophobicContact CB-CG1 4.44Å; P4-V30 HydrophobicContact CB-CG2 4.43Å; P4-V30 HydrophobicContact CG-CB 4.33Å; P4-V30 HydrophobicContact CG-CG2 3.82Å; N6-V30 WeakPolarHBondContact ND2-CG1 3.34Å; N6-V30 VanDerWaalsContact ND2-CG2 3.33Å; N6-V30 WeakPolarHBondContact ND2-CG2 3.4Å; N6-V30 WeakPolarHBondContact OD1-CG2 3.48Å; A26-V30 WeakPolarHBondContact O-CB 3.33Å; A26-V30 VanDerWaalsContact O-CG2 3.23Å; A26-V30 WeakPolarHBondContact O-CG2 3.17Å; A26-V30 PolarHBondContact O-N 3.17Å; A28-V30 PolarHBondContact O-N 3.13Å; V30-Y32 VanDerWaalsContact C-N 3.35Å; V30-I62 HydrophobicContact CG2-CD1 3.54Å; V30-I62 HydrophobicContact CG2-CG1 4.16Å; V30-R76 PolarHBondContact O-NH2 2.99Å; V30-R76 VanDerWaalsContact O-NH2 3.11Å
31K94.5Very high93.2Very high136 Ų13640.2 Ų40.259%0.59121%0.205SC*.THydrogen-bonded Turntrans-83.2-6174-76.1-170.8169-173.90114.4H27 A28 V29 D33H27-K31 VanDerWaalsContact CE1-CE 3.45Å; H27-K31 WeakPolarHBondContact CE1-CE 3.24Å; H27-K31 PolarHBondContact CE1-NZ 3.25Å; H27-K31 WeakPolarHBondContact NE2-CE 3.42Å; H27-K31 PolarHBondContact NE2-NZ 3.35Å; H27-K31 WeakPolarHBondContact O-CB 3.42Å; H27-K31 WeakPolarHBondContact O-CG 3.44Å; H27-K31 PolarHBondContact O-N 3.28Å; A28-K31 PolarHBondContact O-N 3.17Å; V29-K31 VanDerWaalsContact C-N 3.31Å; V29-K31 PolarHBondContact O-N 3.03Å; K31-D33 HydrophobicContact CB-CB 4.43Å; K31-D33 PolarHBondContact O-N 3.22Å
32Y95.5Very high93.5Very high45 Ų4542.6 Ų42.618%0.17621%0.214CC..THydrogen-bonded Turntrans5534.3-171.4-52.4-42.8000114.2A28 V29 V30 V34 R76 E79 I80 F83A28-Y32 PolarHBondContact O-N 3.23Å; V29-Y32 WeakPolarHBondContact O-CD1 3.27Å; V29-Y32 PolarHBondContact O-N 3.21Å; V29-Y32 VanDerWaalsContact O-N 3.14Å; V30-Y32 VanDerWaalsContact C-N 3.35Å; Y32-V34 PolarHBondContact O-N 3.41Å; Y32-R76 VanDerWaalsContact CE2-CZ 3.45Å; Y32-R76 VanDerWaalsContact CZ-CZ 3.5Å; Y32-R76 PolarHBondContact OH-NE 3.45Å; Y32-R76 VanDerWaalsContact OH-NE 3.08Å; Y32-R76 PolarHBondContact OH-NH2 3.23Å; Y32-E79 HydrophobicContact CD2-CB 4.4Å; Y32-E79 HydrophobicContact CE2-CB 3.58Å; Y32-E79 HydrophobicContact CE2-CG 4.4Å; Y32-I80 HydrophobicContact CE1-CG1 4.17Å; Y32-I80 WeakPolarHBondContact OH-CG1 3.49Å; Y32-F83 VanDerWaalsContact CB-CD2 3.48Å; Y32-F83 HydrophobicContact CD1-CB 3.53Å; Y32-F83 AromaticContact CD1-CD1 3.8Å; Y32-F83 HydrophobicContact CD1-CD1 3.8Å; Y32-F83 HydrophobicContact CD1-CD2 4.02Å; Y32-F83 HydrophobicContact CD1-CE1 4.49Å; Y32-F83 AromaticContact CD1-CG 3.49Å; Y32-F83 HydrophobicContact CD1-CG 3.49Å; Y32-F83 VanDerWaalsContact CD1-CG 3.49Å; Y32-F83 HydrophobicContact CE1-CB 4.16Å; Y32-F83 HydrophobicContact CE1-CD1 4.5Å; Y32-F83 HydrophobicContact CE1-CG 4.41Å; Y32-F83 HydrophobicContact CG-CB 3.93Å; Y32-F83 HydrophobicContact CG-CD2 4.14Å; Y32-F83 HydrophobicContact CG-CG 4Å; Y32-F83 WeakPolarHBondContact O-CD2 3.49Å; Y32-F83 VanDerWaalsContact O-CE2 3.32Å; Y32-F83 WeakPolarHBondContact O-CE2 3.39Å
33D96.5Very high93.6Very high68 Ų6845.8 Ų45.836%0.36424%0.236SC..  trans-93.798.7179.3-176.4-13.4000110.6A28 K31 Q35 S36 L37A28-D33 PolarHBondContact O-N 3.23Å; K31-D33 HydrophobicContact CB-CB 4.43Å; K31-D33 PolarHBondContact O-N 3.22Å; D33-Q35 VanDerWaalsContact C-N 3.32Å; D33-Q35 PolarHBondContact O-N 3.27Å; D33-Q35 PolarHBondContact OD1-N 3.32Å; D33-S36 PolarHBondContact OD1-N 3.1Å; D33-S36 WeakPolarHBondContact OD2-CB 3.48Å; D33-L37 WeakPolarHBondContact O-CB 3.25Å; D33-L37 PolarHBondContact O-N 3.02Å
34V96.4Very high93.6Very high12 Ų1246.8 Ų46.87%0.07324%0.241CC..Hα-helixtrans-65.5-33.3-179-176.80000112Y32 K38 F83 Q86 N90 L92Y32-V34 PolarHBondContact O-N 3.41Å; V34-K38 WeakPolarHBondContact O-CB 3.37Å; V34-K38 PolarHBondContact O-N 3.37Å; V34-F83 HydrophobicContact CB-CE2 4.38Å; V34-F83 HydrophobicContact CG2-CD2 3.87Å; V34-F83 HydrophobicContact CG2-CE2 3.45Å; V34-F83 VanDerWaalsContact CG2-CE2 3.45Å; V34-F83 HydrophobicContact CG2-CZ 4.41Å; V34-Q86 HydrophobicContact CG2-CB 3.93Å; V34-N90 HydrophobicContact CG1-CB 3.91Å; V34-L92 HydrophobicContact CG1-CD1 3.88Å
35Q96.2Very high93.3Very high119 Ų11947.1 Ų47.156%0.55624%0.242SC*.Hα-helixtrans-77.6-42.1-176.2-61.7-59.3-2700111.2D33 K38 T39D33-Q35 VanDerWaalsContact C-N 3.32Å; D33-Q35 PolarHBondContact O-N 3.27Å; D33-Q35 PolarHBondContact OD1-N 3.32Å; Q35-K38 PolarHBondContact O-N 3.35Å; Q35-T39 PolarHBondContact O-N 2.91Å; Q35-T39 VanDerWaalsContact O-N 3.07Å; Q35-T39 PolarHBondContact O-OG1 3.38Å
36S95.8Very high93.1Very high37 Ų3755.3 Ų55.326%0.25929%0.286SS..Hα-helixtrans-62-45.2169.3-176.10000110.6D33 K38 T39 Q40D33-S36 PolarHBondContact OD1-N 3.1Å; D33-S36 WeakPolarHBondContact OD2-CB 3.48Å; S36-K38 PolarHBondContact O-N 3.22Å; S36-T39 PolarHBondContact O-N 2.84Å; S36-Q40 WeakPolarHBondContact O-CG 3.35Å; S36-Q40 PolarHBondContact O-N 3.13Å
37L96Very high93Very high0 Ų059 Ų590%031%0.306CS..Hα-helixtrans-57.4-48.6177.5-179.760.6000111.8I25 A28 V29 D33 T39 Q40 L41 V55 F83 L92I25-L37 HydrophobicContact CG2-CD1 3.74Å; A28-L37 HydrophobicContact CB-CB 4.02Å; A28-L37 HydrophobicContact CB-CD1 4.49Å; V29-L37 HydrophobicContact CG2-CD1 3.79Å; V29-L37 HydrophobicContact CG2-CD2 4.16Å; D33-L37 WeakPolarHBondContact O-CB 3.25Å; D33-L37 PolarHBondContact O-N 3.02Å; L37-T39 PolarHBondContact O-N 3.16Å; L37-Q40 PolarHBondContact O-N 2.86Å; L37-L41 HydrophobicContact CD1-CD1 3.77Å; L37-L41 HydrophobicContact CD1-CG 3.92Å; L37-L41 HydrophobicContact CD2-CD1 4.31Å; L37-L41 HydrophobicContact CG-CD1 3.67Å; L37-L41 HydrophobicContact CG-CG 4.26Å; L37-L41 WeakPolarHBondContact O-CB 3.48Å; L37-L41 VanDerWaalsContact O-CG 3.27Å; L37-L41 WeakPolarHBondContact O-CG 3.32Å; L37-L41 PolarHBondContact O-N 2.86Å; L37-V55 HydrophobicContact CD1-CG2 4.27Å; L37-V55 HydrophobicContact CD2-CG1 4.13Å; L37-V55 HydrophobicContact CD2-CG2 4.24Å; L37-F83 HydrophobicContact CD2-CE1 4.1Å; L37-F83 HydrophobicContact CD2-CZ 3.69Å; L37-L92 HydrophobicContact CB-CD1 4.47Å; L37-L92 HydrophobicContact CD2-CD1 4.16Å; L37-L92 HydrophobicContact CG-CD1 4.18Å
38K95.5Very high93Very high74 Ų7459.5 Ų59.532%0.32231%0.311SS..Hα-helixtrans-55.1-51.7176-179.4167.4-180171.10111.8V34 Q35 S36 Q40 L41 E42 L92V34-K38 WeakPolarHBondContact O-CB 3.37Å; V34-K38 PolarHBondContact O-N 3.37Å; Q35-K38 PolarHBondContact O-N 3.35Å; S36-K38 PolarHBondContact O-N 3.22Å; K38-Q40 VanDerWaalsContact C-N 3.3Å; K38-Q40 PolarHBondContact O-N 3.21Å; K38-L41 PolarHBondContact O-N 3.36Å; K38-E42 WeakPolarHBondContact CE-OE1 3.44Å; K38-E42 HydrophobicContact CG-CG 4.47Å; K38-E42 WeakPolarHBondContact CG-OE1 3.49Å; K38-E42 IonicContact NZ-OE1 2.67Å; K38-E42 WeakPolarHBondContact O-CG 3.36Å; K38-E42 PolarHBondContact O-N 3.31Å; K38-L92 HydrophobicContact CB-CD1 3.98Å; K38-L92 HydrophobicContact CB-CD2 4.08Å; K38-L92 HydrophobicContact CG-CD2 4.06Å
39T94.7Very high92.8Very high84 Ų8462.7 Ų62.752%0.51534%0.338SS..Hα-helixtrans-58-41.1179.7-520000112.1Q35 S36 L37Q35-T39 PolarHBondContact O-N 2.91Å; Q35-T39 VanDerWaalsContact O-N 3.07Å; Q35-T39 PolarHBondContact O-OG1 3.38Å; S36-T39 PolarHBondContact O-N 2.84Å; L37-T39 PolarHBondContact O-N 3.16Å
40Q94Very high92.7Very high48 Ų4866.8 Ų66.822%0.22436%0.359CS..Hα-helixtrans-73.1-37.8178.3-62.3-57.2-50.900112.4A24 I25 S36 L37 K38 S43A24-Q40 HydrophobicContact CB-CG 3.97Å; A24-Q40 VanDerWaalsContact CB-OE1 3.27Å; I25-Q40 HydrophobicContact CG1-CB 3.59Å; S36-Q40 WeakPolarHBondContact O-CG 3.35Å; S36-Q40 PolarHBondContact O-N 3.13Å; L37-Q40 PolarHBondContact O-N 2.86Å; K38-Q40 VanDerWaalsContact C-N 3.3Å; K38-Q40 PolarHBondContact O-N 3.21Å; Q40-S43 PolarHBondContact O-N 3.05Å; Q40-S43 PolarHBondContact O-OG 3.43Å
41L92.9Very high92.7Very high1 Ų167.9 Ų67.91%0.00536%0.36CS..Hα-helixtrans-69.7-36.1178.4-73.2172.5000113.1I25 L37 K38 S43 L44 R51 V55 L92I25-L41 HydrophobicContact CD1-CD2 4.21Å; I25-L41 HydrophobicContact CG2-CD2 4.31Å; L37-L41 HydrophobicContact CD1-CD1 3.77Å; L37-L41 HydrophobicContact CD1-CG 3.92Å; L37-L41 HydrophobicContact CD2-CD1 4.31Å; L37-L41 HydrophobicContact CG-CD1 3.67Å; L37-L41 HydrophobicContact CG-CG 4.26Å; L37-L41 WeakPolarHBondContact O-CB 3.48Å; L37-L41 VanDerWaalsContact O-CG 3.27Å; L37-L41 WeakPolarHBondContact O-CG 3.32Å; L37-L41 PolarHBondContact O-N 2.86Å; K38-L41 PolarHBondContact O-N 3.36Å; L41-S43 PolarHBondContact O-N 2.81Å; L41-L44 PolarHBondContact O-N 3.25Å; L41-L44 VanDerWaalsContact O-N 3.14Å; L41-R51 HydrophobicContact CD2-CB 4.23Å; L41-R51 WeakPolarHBondContact O-CD 3.41Å; L41-V55 HydrophobicContact CD1-CG2 3.51Å; L41-V55 HydrophobicContact CD2-CG2 3.92Å; L41-V55 HydrophobicContact CG-CG2 4.3Å; L41-L92 HydrophobicContact CD1-CB 4.14Å; L41-L92 HydrophobicContact CD1-CD1 4.48Å; L41-L92 HydrophobicContact CD1-CD2 4.29Å
42E90.8Very high92.7Very high113 Ų11364.3 Ų64.353%0.52835%0.346SS..Hα-helixtrans-61.9-23.7172.9-73.8173179.100112.6K38K38-E42 WeakPolarHBondContact CE-OE1 3.44Å; K38-E42 HydrophobicContact CG-CG 4.47Å; K38-E42 WeakPolarHBondContact CG-OE1 3.49Å; K38-E42 IonicContact NZ-OE1 2.67Å; K38-E42 WeakPolarHBondContact O-CG 3.36Å; K38-E42 PolarHBondContact O-N 3.31Å
43S89.3Confident92.6Very high67 Ų6764 Ų6447%0.46936%0.356SS..THydrogen-bonded Turntrans-82.9-10.6175.178.90000115.2N21 Q40 L41N21-S43 PolarHBondContact ND2-OG 2.89Å; Q40-S43 PolarHBondContact O-N 3.05Å; Q40-S43 PolarHBondContact O-OG 3.43Å; L41-S43 PolarHBondContact O-N 2.81Å
44L88.1Confident92.4Very high42 Ų4262.2 Ų62.222%0.2235%0.346CS..THydrogen-bonded Turntrans-97-45.3-165.2179.758.1000114.4C19 I25 L41 I54C19-L44 HydrophobicContact CB-CD1 3.91Å; C19-L44 HydrophobicContact CB-CD2 4.48Å; C19-L44 WeakPolarHBondContact SG-CD1 2.85Å; I25-L44 HydrophobicContact CD1-CD2 3.71Å; L41-L44 PolarHBondContact O-N 3.25Å; L41-L44 VanDerWaalsContact O-N 3.14Å; L44-I54 HydrophobicContact CD2-CD1 3.58Å
45S85.7Confident92.4Very high33 Ų3361.7 Ų61.723%0.23134%0.343CS..  trans-161.9145.1-172.9-169.40000111.3D47 R51S45-D47 PolarHBondContact O-N 3.16Å; S45-D47 PolarHBondContact OG-N 3.47Å; S45-D47 VanDerWaalsContact OG-N 3.15Å; S45-R51 VanDerWaalsContact O-CD 3.27Å; S45-R51 WeakPolarHBondContact O-CD 3.41Å
46D87.2Confident92.4Very high171 Ų17157.8 Ų57.891%0.91433%0.331SS*.SBendtrans-76.5-8.1167.9-63.9-36.4000112.6
47D90.2Very high92.3Very high78 Ų7859.9 Ų59.942%0.41733%0.334SS..  trans-94.1106.6-179.6-170.8-25.3000111.5S45 A49 I50 R51S45-D47 PolarHBondContact O-N 3.16Å; S45-D47 PolarHBondContact OG-N 3.47Å; S45-D47 VanDerWaalsContact OG-N 3.15Å; D47-A49 VanDerWaalsContact C-N 3.26Å; D47-A49 PolarHBondContact O-N 3.48Å; D47-A49 WeakPolarHBondContact OD1-CB 3.35Å; D47-A49 PolarHBondContact OD1-N 3.38Å; D47-I50 HydrophobicContact CB-CB 4.28Å; D47-I50 HydrophobicContact CB-CD1 3.91Å; D47-I50 HydrophobicContact CB-CG1 3.98Å; D47-I50 PolarHBondContact O-N 2.95Å; D47-R51 WeakPolarHBondContact O-CG 3.41Å; D47-R51 PolarHBondContact O-N 3.38Å
48D91.7Very high92.2Very high96 Ų9660 Ų6051%0.51333%0.334SS..Hα-helixtrans-53.4-39.2177.2-63.6-32.8000113I50 R51 E52D48-I50 VanDerWaalsContact C-N 3.34Å; D48-I50 PolarHBondContact O-N 2.96Å; D48-R51 PolarHBondContact O-N 3.28Å; D48-R51 IonicContact OD1-CZ 2.67Å; D48-R51 IonicContact OD1-NE 2.79Å; D48-R51 IonicContact OD1-NH2 3.65Å; D48-R51 PolarHBondContact OD1-NH2 3.35Å; D48-E52 WeakPolarHBondContact O-CG 3.41Å; D48-E52 PolarHBondContact O-N 3.39Å
49A91.3Very high92.3Very high69 Ų6956.5 Ų56.557%0.5732%0.319SS*.Hα-helixtrans-68.5-34.2-17700000112.1D47 G53D47-A49 VanDerWaalsContact C-N 3.26Å; D47-A49 PolarHBondContact O-N 3.48Å; D47-A49 WeakPolarHBondContact OD1-CB 3.35Å; D47-A49 PolarHBondContact OD1-N 3.38Å; A49-G53 PolarHBondContact O-N 3.3Å
50I91Very high92.4Very high86 Ų8658.5 Ų58.544%0.44132%0.317SS..Hα-helixtrans-67.7-43.6173.2-61.8-179.5000110D47 D48 G53 I54D47-I50 HydrophobicContact CB-CB 4.28Å; D47-I50 HydrophobicContact CB-CD1 3.91Å; D47-I50 HydrophobicContact CB-CG1 3.98Å; D47-I50 PolarHBondContact O-N 2.95Å; D48-I50 VanDerWaalsContact C-N 3.34Å; D48-I50 PolarHBondContact O-N 2.96Å; I50-G53 PolarHBondContact O-N 3.15Å; I50-I54 HydrophobicContact CG2-CD1 3.98Å; I50-I54 WeakPolarHBondContact O-CG1 3.11Å; I50-I54 PolarHBondContact O-N 3.03Å
51R92.7Very high92.4Very high47 Ų4756.8 Ų56.818%0.17731%0.31CS..Hα-helixtrans-62.4-52178.9-63.5-166.6-64.9168.41.9111.6L41 S45 D47 D48 G53 I54 V55L41-R51 HydrophobicContact CD2-CB 4.23Å; L41-R51 WeakPolarHBondContact O-CD 3.41Å; S45-R51 VanDerWaalsContact O-CD 3.27Å; S45-R51 WeakPolarHBondContact O-CD 3.41Å; D47-R51 WeakPolarHBondContact O-CG 3.41Å; D47-R51 PolarHBondContact O-N 3.38Å; D48-R51 PolarHBondContact O-N 3.28Å; D48-R51 IonicContact OD1-CZ 2.67Å; D48-R51 IonicContact OD1-NE 2.79Å; D48-R51 IonicContact OD1-NH2 3.65Å; D48-R51 PolarHBondContact OD1-NH2 3.35Å; R51-G53 VanDerWaalsContact C-N 3.31Å; R51-G53 PolarHBondContact O-N 2.67Å; R51-I54 PolarHBondContact O-N 2.8Å; R51-V55 WeakPolarHBondContact O-CG2 3.37Å; R51-V55 PolarHBondContact O-N 2.84Å; R51-V55 VanDerWaalsContact O-N 3.16Å
52E94.6Very high92.5Very high61 Ų6156.8 Ų56.829%0.28531%0.31SS..Hα-helixtrans-58.7-42.2175.9-68.7-161.9162.500112D48 I54 V55 A56 C94D48-E52 WeakPolarHBondContact O-CG 3.41Å; D48-E52 PolarHBondContact O-N 3.39Å; E52-I54 PolarHBondContact O-N 3.22Å; E52-V55 PolarHBondContact O-N 3.31Å; E52-A56 VanDerWaalsContact O-CB 3.3Å; E52-A56 WeakPolarHBondContact O-CB 3.47Å; E52-A56 PolarHBondContact O-N 3.01Å; E52-C94 PolarHBondContact OE1-N 3.45Å; E52-C94 VanDerWaalsContact OE2-CB 3.24Å; E52-C94 WeakPolarHBondContact OE2-CB 3.3Å; E52-C94 PolarHBondContact OE2-N 3.32Å; E52-C94 VanDerWaalsContact OE2-N 3.11Å
53G93.5Very high92.7Very high39 Ų3951.4 Ų51.440%0.40229%0.285SS..Hα-helixtrans-61-41179.600000113.2A49 I50 R51 Y57A49-G53 PolarHBondContact O-N 3.3Å; I50-G53 PolarHBondContact O-N 3.15Å; R51-G53 VanDerWaalsContact C-N 3.31Å; R51-G53 PolarHBondContact O-N 2.67Å; G53-Y57 VanDerWaalsContact O-CB 3.31Å; G53-Y57 WeakPolarHBondContact O-CB 3.37Å; G53-Y57 PolarHBondContact O-N 3.5Å
54I92.8Very high93Very high30 Ų3050.9 Ų50.915%0.15428%0.276CS..Hα-helixtrans-67.5-43.3176.7-69.8169.4000111I22 I25 L44 I50 R51 E52 Y57 L58I22-I54 HydrophobicContact CD1-CG2 3.85Å; I25-I54 HydrophobicContact CG2-CG2 4.45Å; L44-I54 HydrophobicContact CD2-CD1 3.58Å; I50-I54 HydrophobicContact CG2-CD1 3.98Å; I50-I54 WeakPolarHBondContact O-CG1 3.11Å; I50-I54 PolarHBondContact O-N 3.03Å; R51-I54 PolarHBondContact O-N 2.8Å; E52-I54 PolarHBondContact O-N 3.22Å; I54-Y57 PolarHBondContact O-N 3.25Å; I54-L58 HydrophobicContact CG2-CD1 4.02Å; I54-L58 WeakPolarHBondContact O-CG 3.47Å; I54-L58 PolarHBondContact O-N 2.85Å
55V95.8Very high93.2Very high0 Ų050.9 Ų50.90%028%0.277CS..Hα-helixtrans-63.2-46.5176.3179.30000111L37 L41 R51 E52 Y57 L58 L59 L93L37-V55 HydrophobicContact CD1-CG2 4.27Å; L37-V55 HydrophobicContact CD2-CG1 4.13Å; L37-V55 HydrophobicContact CD2-CG2 4.24Å; L41-V55 HydrophobicContact CD1-CG2 3.51Å; L41-V55 HydrophobicContact CD2-CG2 3.92Å; L41-V55 HydrophobicContact CG-CG2 4.3Å; R51-V55 WeakPolarHBondContact O-CG2 3.37Å; R51-V55 PolarHBondContact O-N 2.84Å; R51-V55 VanDerWaalsContact O-N 3.16Å; E52-V55 PolarHBondContact O-N 3.31Å; V55-Y57 VanDerWaalsContact C-N 3.33Å; V55-Y57 PolarHBondContact O-N 3.26Å; V55-L58 PolarHBondContact O-N 2.9Å; V55-L59 HydrophobicContact CG1-CD1 3.85Å; V55-L59 HydrophobicContact CG1-CG 4.36Å; V55-L59 WeakPolarHBondContact O-CB 3.46Å; V55-L59 VanDerWaalsContact O-CG 3.3Å; V55-L59 WeakPolarHBondContact O-CG 3.3Å; V55-L59 PolarHBondContact O-N 3.15Å; V55-L93 HydrophobicContact CB-CD1 4.23Å; V55-L93 HydrophobicContact CG1-CB 4.41Å; V55-L93 HydrophobicContact CG1-CD1 4.09Å; V55-L93 HydrophobicContact CG1-CD2 4.36Å
56A96Very high93.6Very high37 Ų3749.9 Ų49.931%0.30627%0.268SS..Hα-helixtrans-59-43.7177.700000111.9E52 R60 L93E52-A56 VanDerWaalsContact O-CB 3.3Å; E52-A56 WeakPolarHBondContact O-CB 3.47Å; E52-A56 PolarHBondContact O-N 3.01Å; A56-R60 WeakPolarHBondContact O-CB 3.32Å; A56-R60 PolarHBondContact O-N 3.29Å; A56-L93 HydrophobicContact CB-CD1 3.73Å
57Y94.1Very high93.9Very high82 Ų8242.1 Ų42.132%0.32223%0.227SC..Hα-helixtrans-64.2-47.9177.6178-107.6000112.3T11 V15 G53 I54 V55 L59 R60 D61T11-Y57 HydrophobicContact CG2-CD1 4.42Å; T11-Y57 HydrophobicContact CG2-CE1 3.69Å; T11-Y57 VanDerWaalsContact OG1-CE1 3.29Å; T11-Y57 WeakPolarHBondContact OG1-CE1 3.35Å; T11-Y57 PolarHBondContact OG1-OH 3.08Å; V15-Y57 HydrophobicContact CG2-CD1 4.27Å; V15-Y57 HydrophobicContact CG2-CE1 3.9Å; G53-Y57 VanDerWaalsContact O-CB 3.31Å; G53-Y57 WeakPolarHBondContact O-CB 3.37Å; G53-Y57 PolarHBondContact O-N 3.5Å; I54-Y57 PolarHBondContact O-N 3.25Å; V55-Y57 VanDerWaalsContact C-N 3.33Å; V55-Y57 PolarHBondContact O-N 3.26Å; Y57-L59 PolarHBondContact O-N 3.45Å; Y57-R60 PolarHBondContact O-N 3.21Å; Y57-D61 WeakPolarHBondContact O-CB 3.34Å; Y57-D61 PolarHBondContact O-N 2.91Å
58L95.2Very high94Very high1 Ų144.8 Ų44.81%0.00524%0.24CC..Hα-helixtrans-61.7-41.8177.7-72.1170.9000112.4T11 I22 I25 A26 V29 I54 V55 R60 D61 I62T11-L58 HydrophobicContact CG2-CD2 3.89Å; I22-L58 HydrophobicContact CD1-CD1 3.92Å; I22-L58 HydrophobicContact CD1-CD2 4.42Å; I25-L58 HydrophobicContact CG2-CD1 3.63Å; A26-L58 HydrophobicContact CB-CD1 4.38Å; A26-L58 HydrophobicContact CB-CD2 4.06Å; V29-L58 HydrophobicContact CG1-CB 4.37Å; V29-L58 HydrophobicContact CG2-CB 4.44Å; V29-L58 HydrophobicContact CG2-CD1 4.17Å; I54-L58 HydrophobicContact CG2-CD1 4.02Å; I54-L58 WeakPolarHBondContact O-CG 3.47Å; I54-L58 PolarHBondContact O-N 2.85Å; V55-L58 PolarHBondContact O-N 2.9Å; L58-R60 VanDerWaalsContact C-N 3.35Å; L58-D61 PolarHBondContact O-N 3.05Å; L58-I62 WeakPolarHBondContact O-CD1 3.24Å; L58-I62 VanDerWaalsContact O-CG1 3.24Å; L58-I62 WeakPolarHBondContact O-CG1 3.33Å; L58-I62 PolarHBondContact O-N 2.94Å
59L96.7Very high94Very high1 Ų144.7 Ų44.71%0.00524%0.235CC..Hα-helixtrans-62.8-42.3176.3-73.2171.3000112V29 V55 Y57 L63 I80 F83 L93 L101V29-L59 HydrophobicContact CG1-CD2 3.56Å; V29-L59 HydrophobicContact CG1-CG 4.06Å; V55-L59 HydrophobicContact CG1-CD1 3.85Å; V55-L59 HydrophobicContact CG1-CG 4.36Å; V55-L59 WeakPolarHBondContact O-CB 3.46Å; V55-L59 VanDerWaalsContact O-CG 3.3Å; V55-L59 WeakPolarHBondContact O-CG 3.3Å; V55-L59 PolarHBondContact O-N 3.15Å; Y57-L59 PolarHBondContact O-N 3.45Å; L59-L63 VanDerWaalsContact O-CB 3.29Å; L59-L63 WeakPolarHBondContact O-CB 3.15Å; L59-L63 PolarHBondContact O-N 3.31Å; L59-I80 HydrophobicContact CD2-CG2 4.03Å; L59-F83 HydrophobicContact CD2-CD1 3.66Å; L59-F83 HydrophobicContact CD2-CE1 4.01Å; L59-L93 HydrophobicContact CD1-CD2 3.54Å; L59-L101 HydrophobicContact CB-CD1 4.35Å; L59-L101 HydrophobicContact CB-CD2 4.47Å
60R96.2Very high93.9Very high126 Ų12651.9 Ų51.948%0.47525%0.254SS..Hα-helixtrans-68-40178-161.1175.4-160.6-166.5-2.9111.9A56 Y57 L58 L63 L64 L101 D104A56-R60 WeakPolarHBondContact O-CB 3.32Å; A56-R60 PolarHBondContact O-N 3.29Å; Y57-R60 PolarHBondContact O-N 3.21Å; L58-R60 VanDerWaalsContact C-N 3.35Å; R60-L63 PolarHBondContact O-N 3.41Å; R60-L64 HydrophobicContact CG-CD1 4.29Å; R60-L64 WeakPolarHBondContact O-CB 3.31Å; R60-L64 WeakPolarHBondContact O-CG 3.15Å; R60-L64 PolarHBondContact O-N 3.19Å; R60-L101 HydrophobicContact CB-CD2 4.33Å; R60-D104 IonicContact CZ-OD1 3.47Å; R60-D104 IonicContact CZ-OD2 3.76Å; R60-D104 IonicContact NE-OD1 2.68Å; R60-D104 IonicContact NE-OD2 2.66Å; R60-D104 PolarHBondContact NE-OD2 3.46Å; R60-D104 VanDerWaalsContact NH2-CG 3.33Å; R60-D104 IonicContact NH2-OD1 3.76Å; R60-D104 PolarHBondContact NH2-OD1 3.28Å; R60-D104 IonicContact NH2-OD2 2.67Å; R60-D104 PolarHBondContact NH2-OD2 3.06Å
61D94.3Very high94Very high13 Ų1353.1 Ų53.17%0.0727%0.266CS..Hα-helixtrans-61.5-46.8175-176.261.6000111.6V7 S8 T11 Y57 L58 L63 L64 N65V7-D61 VanDerWaalsContact CA-OD2 3.31Å; V7-D61 WeakPolarHBondContact CA-OD2 3.35Å; S8-D61 WeakPolarHBondContact CB-OD1 3.17Å; S8-D61 PolarHBondContact N-OD2 3.24Å; S8-D61 PolarHBondContact OG-OD1 2.95Å; T11-D61 PolarHBondContact OG1-OD1 3.49Å; T11-D61 PolarHBondContact OG1-OD2 3.07Å; Y57-D61 WeakPolarHBondContact O-CB 3.34Å; Y57-D61 PolarHBondContact O-N 2.91Å; L58-D61 PolarHBondContact O-N 3.05Å; D61-L63 PolarHBondContact O-N 2.79Å; D61-L64 PolarHBondContact O-N 3.42Å; D61-N65 WeakPolarHBondContact O-CB 3.3Å; D61-N65 PolarHBondContact O-N 3.28Å; D61-N65 PolarHBondContact O-ND2 3.14Å; D61-N65 PolarHBondContact OD2-ND2 3.47Å
62I94.6Very high93.9Very high1 Ų153.9 Ų53.91%0.00527%0.272CS..Hα-helixtrans-63.3-42.7175.6-64.2159.7000110.8V29 V30 L58 N65 E66 I80V29-I62 HydrophobicContact CB-CD1 4.33Å; V29-I62 HydrophobicContact CG1-CD1 3.54Å; V30-I62 HydrophobicContact CG2-CD1 3.54Å; V30-I62 HydrophobicContact CG2-CG1 4.16Å; L58-I62 WeakPolarHBondContact O-CD1 3.24Å; L58-I62 VanDerWaalsContact O-CG1 3.24Å; L58-I62 WeakPolarHBondContact O-CG1 3.33Å; L58-I62 PolarHBondContact O-N 2.94Å; I62-N65 PolarHBondContact O-N 3.19Å; I62-E66 WeakPolarHBondContact O-CG 3.21Å; I62-E66 PolarHBondContact O-N 3.33Å; I62-I80 HydrophobicContact CG2-CD1 3.86Å; I62-I80 HydrophobicContact CG2-CG1 4.37Å
63L95.9Very high93.8Very high0 Ų054.7 Ų54.70%028%0.279CS..Hα-helixtrans-59.1-47.7176.3-171.682.9000111.7L59 R60 D61 E66 L67 L77 I80 L101 D104 I105L59-L63 VanDerWaalsContact O-CB 3.29Å; L59-L63 WeakPolarHBondContact O-CB 3.15Å; L59-L63 PolarHBondContact O-N 3.31Å; R60-L63 PolarHBondContact O-N 3.41Å; D61-L63 PolarHBondContact O-N 2.79Å; L63-E66 PolarHBondContact O-N 3.22Å; L63-L67 HydrophobicContact CD2-CD1 4.09Å; L63-L67 HydrophobicContact CG-CD1 3.89Å; L63-L67 WeakPolarHBondContact O-CB 3.42Å; L63-L67 WeakPolarHBondContact O-CG 3.27Å; L63-L67 PolarHBondContact O-N 2.86Å; L63-L77 HydrophobicContact CD1-CB 4.43Å; L63-L77 HydrophobicContact CD1-CD2 3.74Å; L63-L77 HydrophobicContact CG-CD2 4.36Å; L63-I80 HydrophobicContact CB-CD1 4.26Å; L63-I80 HydrophobicContact CB-CG2 4.44Å; L63-I80 HydrophobicContact CD1-CB 4.24Å; L63-I80 HydrophobicContact CD1-CD1 3.95Å; L63-I80 HydrophobicContact CD1-CG2 4.15Å; L63-L101 HydrophobicContact CB-CD2 4.42Å; L63-L101 HydrophobicContact CD2-CB 4.18Å; L63-L101 HydrophobicContact CD2-CD2 3.81Å; L63-D104 HydrophobicContact CD2-CB 3.9Å; L63-I105 HydrophobicContact CD1-CD1 4.01Å; L63-I105 HydrophobicContact CD1-CG1 3.86Å; L63-I105 HydrophobicContact CD2-CG1 4.08Å; L63-I105 HydrophobicContact CG-CG1 4.33Å
64L94.6Very high93.7Very high56 Ų5654.2 Ų54.229%0.29327%0.268SS..Hα-helixtrans-63.2-41.9177.3-70.3171.2000111.3R60 D61 E66 L67 L68 I108R60-L64 HydrophobicContact CG-CD1 4.29Å; R60-L64 WeakPolarHBondContact O-CB 3.31Å; R60-L64 WeakPolarHBondContact O-CG 3.15Å; R60-L64 PolarHBondContact O-N 3.19Å; D61-L64 PolarHBondContact O-N 3.42Å; L64-E66 PolarHBondContact O-N 2.91Å; L64-L67 PolarHBondContact O-N 2.95Å; L64-L68 WeakPolarHBondContact O-CB 3.31Å; L64-L68 VanDerWaalsContact O-CG 3.23Å; L64-L68 WeakPolarHBondContact O-CG 3.2Å; L64-L68 PolarHBondContact O-N 3.17Å; L64-I108 HydrophobicContact CD2-CD1 3.37Å
65N93.2Very high93.8Very high42 Ų4256.6 Ų56.623%0.22529%0.287CS..Hα-helixtrans-67.3-21.1176.7-68.7-37.2000113.3N6 S8 D61 I62 K69N6-N65 PolarHBondContact O-ND2 3.27Å; S8-N65 PolarHBondContact N-ND2 3.22Å; D61-N65 WeakPolarHBondContact O-CB 3.3Å; D61-N65 PolarHBondContact O-N 3.28Å; D61-N65 PolarHBondContact O-ND2 3.14Å; D61-N65 PolarHBondContact OD2-ND2 3.47Å; I62-N65 PolarHBondContact O-N 3.19Å; N65-K69 WeakPolarHBondContact O-CE 3.43Å; N65-K69 WeakPolarHBondContact O-CG 3.07Å
66E93.9Very high93.7Very high11 Ų1159.1 Ų59.15%0.05130%0.297CS..Hα-helixtrans-82.7-40.9168.2-67.5-59.6140.800112.4I62 L63 L64 K69 R76 L77 I80I62-E66 WeakPolarHBondContact O-CG 3.21Å; I62-E66 PolarHBondContact O-N 3.33Å; L63-E66 PolarHBondContact O-N 3.22Å; L64-E66 PolarHBondContact O-N 2.91Å; E66-K69 WeakPolarHBondContact O-CB 3.28Å; E66-K69 PolarHBondContact O-N 2.66Å; E66-K69 IonicContact OE1-NZ 3.14Å; E66-K69 PolarHBondContact OE1-NZ 3.45Å; E66-K69 WeakPolarHBondContact OE2-CE 3.35Å; E66-K69 IonicContact OE2-NZ 3.24Å; E66-K69 PolarHBondContact OE2-NZ 3.27Å; E66-R76 HydrophobicContact CG-CG 3.88Å; E66-L77 HydrophobicContact CB-CD2 3.6Å; E66-I80 HydrophobicContact CG-CD1 4.09Å
67L93.3Very high93.7Very high8 Ų857.4 Ų57.44%0.04228%0.282CS..Hα-helixtrans-66.7-33.1178.6-75.9165.1000113.3L63 L64 K69 I72 L77 I105 I108 A109L63-L67 HydrophobicContact CD2-CD1 4.09Å; L63-L67 HydrophobicContact CG-CD1 3.89Å; L63-L67 WeakPolarHBondContact O-CB 3.42Å; L63-L67 WeakPolarHBondContact O-CG 3.27Å; L63-L67 PolarHBondContact O-N 2.86Å; L64-L67 PolarHBondContact O-N 2.95Å; L67-K69 VanDerWaalsContact C-N 3.26Å; L67-K69 PolarHBondContact O-N 3.28Å; L67-I72 HydrophobicContact CD2-CG2 4.46Å; L67-L77 HydrophobicContact CD2-CD1 3.6Å; L67-L77 HydrophobicContact CD2-CD2 4.13Å; L67-L77 HydrophobicContact CG-CD1 4.27Å; L67-L77 HydrophobicContact CG-CD2 3.86Å; L67-I105 HydrophobicContact CD1-CG1 4.47Å; L67-I105 HydrophobicContact CD2-CG2 4.26Å; L67-I108 HydrophobicContact CB-CG2 3.96Å; L67-I108 HydrophobicContact CD1-CB 4.2Å; L67-I108 HydrophobicContact CD1-CD1 3.85Å; L67-I108 HydrophobicContact CD1-CG2 4.33Å; L67-I108 HydrophobicContact CD2-CB 4.49Å; L67-I108 HydrophobicContact CD2-CG2 4.32Å; L67-I108 HydrophobicContact CG-CG2 4.44Å; L67-A109 HydrophobicContact CD2-CB 4.04Å
68L92.1Very high93.7Very high135 Ų13555.1 Ų55.171%0.70728%0.275SS*.THydrogen-bonded Turntrans-81.11.9179.4-66.8172.8000113.8L64L64-L68 WeakPolarHBondContact O-CB 3.31Å; L64-L68 VanDerWaalsContact O-CG 3.23Å; L64-L68 WeakPolarHBondContact O-CG 3.2Å; L64-L68 PolarHBondContact O-N 3.17Å
69K92.4Very high93.8Very high94 Ų9459 Ų5941%0.40929%0.294SS..SBendtrans-74.3145.9174.4-67.5178-175.11750110.8N65 E66 L67 T71N65-K69 WeakPolarHBondContact O-CE 3.43Å; N65-K69 WeakPolarHBondContact O-CG 3.07Å; E66-K69 WeakPolarHBondContact O-CB 3.28Å; E66-K69 PolarHBondContact O-N 2.66Å; E66-K69 IonicContact OE1-NZ 3.14Å; E66-K69 PolarHBondContact OE1-NZ 3.45Å; E66-K69 WeakPolarHBondContact OE2-CE 3.35Å; E66-K69 IonicContact OE2-NZ 3.24Å; E66-K69 PolarHBondContact OE2-NZ 3.27Å; L67-K69 VanDerWaalsContact C-N 3.26Å; L67-K69 PolarHBondContact O-N 3.28Å; K69-T71 PolarHBondContact O-N 3.36Å
70K89.4Confident93.8Very high219 Ų21959 Ų5995%0.95229%0.293SS*.SBendtrans-52.5-30.2175.3-174.5177.8179.8-178.30113.3
71T92.2Very high93.9Very high113 Ų11353 Ų5369%0.69327%0.271SS*.SBendtrans-125.1110.717451.70000108.8K69 N73K69-T71 PolarHBondContact O-N 3.36Å; T71-N73 PolarHBondContact O-N 2.92Å
72I91.7Very high94Very high62 Ų6254.5 Ų54.532%0.31828%0.279SS..  trans-71.7120.3-179.7-58178.7000109.4L67 V74 L77 A109L67-I72 HydrophobicContact CD2-CG2 4.46Å; I72-V74 HydrophobicContact CG2-CG2 4.38Å; I72-V74 PolarHBondContact O-N 3.18Å; I72-L77 HydrophobicContact CG2-CD1 3.56Å; I72-L77 HydrophobicContact CG2-CG 4.44Å; I72-A109 HydrophobicContact CD1-CB 3.68Å
73N92.5Very high94.2Very high79 Ų7954.5 Ų54.542%0.42228%0.279SS..  trans-90.492.4174.5-177.3-13.8000109.9T71 S75 R76 L77T71-N73 PolarHBondContact O-N 2.92Å; N73-S75 VanDerWaalsContact C-N 3.3Å; N73-S75 PolarHBondContact O-N 3.2Å; N73-S75 PolarHBondContact OD1-N 3Å; N73-R76 HydrophobicContact CB-CB 3.99Å; N73-R76 WeakPolarHBondContact O-CB 3.49Å; N73-R76 PolarHBondContact O-N 3.26Å; N73-R76 VanDerWaalsContact O-N 3.09Å; N73-R76 PolarHBondContact OD1-N 3.17Å; N73-R76 VanDerWaalsContact OD1-N 3.16Å; N73-L77 PolarHBondContact O-N 3.04Å; N73-L77 VanDerWaalsContact O-N 3.12Å
74V91.6Very high94.2Very high28 Ų2854.5 Ų54.517%0.1728%0.279CS..Hα-helixtrans-61.7-36.6-175.9-171.40000112.4I72 R76 L77 L78 L115I72-V74 HydrophobicContact CG2-CG2 4.38Å; I72-V74 PolarHBondContact O-N 3.18Å; V74-R76 VanDerWaalsContact C-N 3.29Å; V74-R76 PolarHBondContact O-N 3.06Å; V74-L77 WeakPolarHBondContact O-CB 3.49Å; V74-L77 PolarHBondContact O-N 3.38Å; V74-L77 VanDerWaalsContact O-N 3.13Å; V74-L78 HydrophobicContact CG1-CD1 4.36Å; V74-L78 HydrophobicContact CG1-CG 4.35Å; V74-L78 WeakPolarHBondContact O-CG 3.34Å; V74-L78 PolarHBondContact O-N 3.21Å; V74-L115 HydrophobicContact CB-CD1 4.12Å; V74-L115 HydrophobicContact CG1-CB 4.13Å; V74-L115 HydrophobicContact CG1-CD1 3.78Å; V74-L115 HydrophobicContact CG2-CD1 3.95Å
75S93.1Very high94.4Very high80 Ų8052.1 Ų52.156%0.55927%0.267SS*.Hα-helixtrans-57.5-44.8174.8-55.20000111.1N73 L77 L78 E79N73-S75 VanDerWaalsContact C-N 3.3Å; N73-S75 PolarHBondContact O-N 3.2Å; N73-S75 PolarHBondContact OD1-N 3Å; S75-L77 VanDerWaalsContact C-N 3.34Å; S75-L77 PolarHBondContact O-N 3.27Å; S75-L78 PolarHBondContact O-N 3.01Å; S75-E79 WeakPolarHBondContact O-CG 3.25Å; S75-E79 PolarHBondContact O-N 2.99Å
76R93.8Very high94.5Very high54 Ų5454.4 Ų54.420%0.20428%0.276CS..Hα-helixtrans-64.6-36177-171.458.1173.3-179.511.1112.6V30 Y32 E66 N73 V74 E79 I80V30-R76 PolarHBondContact O-NH2 2.99Å; V30-R76 VanDerWaalsContact O-NH2 3.11Å; Y32-R76 VanDerWaalsContact CE2-CZ 3.45Å; Y32-R76 VanDerWaalsContact CZ-CZ 3.5Å; Y32-R76 PolarHBondContact OH-NE 3.45Å; Y32-R76 VanDerWaalsContact OH-NE 3.08Å; Y32-R76 PolarHBondContact OH-NH2 3.23Å; E66-R76 HydrophobicContact CG-CG 3.88Å; N73-R76 HydrophobicContact CB-CB 3.99Å; N73-R76 WeakPolarHBondContact O-CB 3.49Å; N73-R76 PolarHBondContact O-N 3.26Å; N73-R76 VanDerWaalsContact O-N 3.09Å; N73-R76 PolarHBondContact OD1-N 3.17Å; N73-R76 VanDerWaalsContact OD1-N 3.16Å; V74-R76 VanDerWaalsContact C-N 3.29Å; V74-R76 PolarHBondContact O-N 3.06Å; R76-E79 WeakPolarHBondContact CD-OE2 3.44Å; R76-E79 IonicContact CZ-OE2 2.67Å; R76-E79 IonicContact NE-OE2 3.6Å; R76-E79 IonicContact NH1-OE2 3.46Å; R76-E79 PolarHBondContact NH1-OE2 2.74Å; R76-E79 PolarHBondContact O-N 3.02Å; R76-I80 WeakPolarHBondContact O-CG1 3.37Å; R76-I80 PolarHBondContact O-N 3.12Å
77L95.9Very high94.7Very high0 Ų053.9 Ų53.90%027%0.273CS..Hα-helixtrans-64-43.1174.1-60.6178.3000111.7L63 E66 L67 I72 N73 V74 S75 I80 V81 I105L63-L77 HydrophobicContact CD1-CB 4.43Å; L63-L77 HydrophobicContact CD1-CD2 3.74Å; L63-L77 HydrophobicContact CG-CD2 4.36Å; E66-L77 HydrophobicContact CB-CD2 3.6Å; L67-L77 HydrophobicContact CD2-CD1 3.6Å; L67-L77 HydrophobicContact CD2-CD2 4.13Å; L67-L77 HydrophobicContact CG-CD1 4.27Å; L67-L77 HydrophobicContact CG-CD2 3.86Å; I72-L77 HydrophobicContact CG2-CD1 3.56Å; I72-L77 HydrophobicContact CG2-CG 4.44Å; N73-L77 PolarHBondContact O-N 3.04Å; N73-L77 VanDerWaalsContact O-N 3.12Å; V74-L77 WeakPolarHBondContact O-CB 3.49Å; V74-L77 PolarHBondContact O-N 3.38Å; V74-L77 VanDerWaalsContact O-N 3.13Å; S75-L77 VanDerWaalsContact C-N 3.34Å; S75-L77 PolarHBondContact O-N 3.27Å; L77-I80 WeakPolarHBondContact O-CB 3.31Å; L77-I80 PolarHBondContact O-N 3.22Å; L77-V81 PolarHBondContact O-N 3.15Å; L77-I105 HydrophobicContact CB-CD1 3.99Å; L77-I105 HydrophobicContact CB-CG1 4.48Å; L77-I105 HydrophobicContact CD1-CG1 4.37Å; L77-I105 HydrophobicContact CD1-CG2 3.91Å
78L95.7Very high94.8Very high34 Ų3453.6 Ų53.618%0.17827%0.272CS..Hα-helixtrans-70.1-32178.3-62.1-178.7000112.4V74 S75 I80 V81 D82 Y119V74-L78 HydrophobicContact CG1-CD1 4.36Å; V74-L78 HydrophobicContact CG1-CG 4.35Å; V74-L78 WeakPolarHBondContact O-CG 3.34Å; V74-L78 PolarHBondContact O-N 3.21Å; S75-L78 PolarHBondContact O-N 3.01Å; L78-I80 VanDerWaalsContact C-N 3.34Å; L78-I80 PolarHBondContact O-N 3.06Å; L78-V81 PolarHBondContact O-N 2.77Å; L78-D82 WeakPolarHBondContact O-CB 3.49Å; L78-D82 PolarHBondContact O-N 2.8Å; L78-Y119 HydrophobicContact CB-CD2 4.2Å; L78-Y119 HydrophobicContact CB-CE2 4.25Å; L78-Y119 HydrophobicContact CD1-CD2 3.97Å; L78-Y119 HydrophobicContact CD1-CG 4.28Å; L78-Y119 HydrophobicContact CD2-CD1 4.07Å; L78-Y119 HydrophobicContact CD2-CD2 3.81Å; L78-Y119 HydrophobicContact CD2-CE2 4.28Å; L78-Y119 HydrophobicContact CD2-CG 3.7Å; L78-Y119 HydrophobicContact CG-CD2 4.2Å; L78-Y119 HydrophobicContact CG-CG 4.5Å
79E96.4Very high95Very high83 Ų8351.9 Ų51.939%0.38826%0.261SS..Hα-helixtrans-59.2-41.4169-72.3168.1-162.600112.1Y32 S75 R76 V81 D82 F83Y32-E79 HydrophobicContact CD2-CB 4.4Å; Y32-E79 HydrophobicContact CE2-CB 3.58Å; Y32-E79 HydrophobicContact CE2-CG 4.4Å; S75-E79 WeakPolarHBondContact O-CG 3.25Å; S75-E79 PolarHBondContact O-N 2.99Å; R76-E79 WeakPolarHBondContact CD-OE2 3.44Å; R76-E79 IonicContact CZ-OE2 2.67Å; R76-E79 IonicContact NE-OE2 3.6Å; R76-E79 IonicContact NH1-OE2 3.46Å; R76-E79 PolarHBondContact NH1-OE2 2.74Å; R76-E79 PolarHBondContact O-N 3.02Å; E79-V81 PolarHBondContact O-N 2.65Å; E79-D82 PolarHBondContact O-N 3.06Å; E79-F83 WeakPolarHBondContact O-CB 3.38Å; E79-F83 PolarHBondContact O-N 3.28Å
80I97.1Very high95.1Very high0 Ų050.4 Ų50.40%026%0.257CS..Hα-helixtrans-62.5-43.3176.2-62.2164.8000110.5Y32 L59 I62 L63 E66 R76 L77 L78 F83 S84 L101Y32-I80 HydrophobicContact CE1-CG1 4.17Å; Y32-I80 WeakPolarHBondContact OH-CG1 3.49Å; L59-I80 HydrophobicContact CD2-CG2 4.03Å; I62-I80 HydrophobicContact CG2-CD1 3.86Å; I62-I80 HydrophobicContact CG2-CG1 4.37Å; L63-I80 HydrophobicContact CB-CD1 4.26Å; L63-I80 HydrophobicContact CB-CG2 4.44Å; L63-I80 HydrophobicContact CD1-CB 4.24Å; L63-I80 HydrophobicContact CD1-CD1 3.95Å; L63-I80 HydrophobicContact CD1-CG2 4.15Å; E66-I80 HydrophobicContact CG-CD1 4.09Å; R76-I80 WeakPolarHBondContact O-CG1 3.37Å; R76-I80 PolarHBondContact O-N 3.12Å; L77-I80 WeakPolarHBondContact O-CB 3.31Å; L77-I80 PolarHBondContact O-N 3.22Å; L78-I80 VanDerWaalsContact C-N 3.34Å; L78-I80 PolarHBondContact O-N 3.06Å; I80-F83 PolarHBondContact O-N 3.28Å; I80-S84 PolarHBondContact O-N 3.16Å; I80-L101 HydrophobicContact CG2-CD1 4.38Å
81V97.5Very high95.3Very high0 Ų047.4 Ų47.40%025%0.246CC..Hα-helixtrans-66.7-43.9177.5-176.10000110.8L77 L78 E79 F83 S84 I85 A98 L101 L102 I105 Y119L77-V81 PolarHBondContact O-N 3.15Å; L78-V81 PolarHBondContact O-N 2.77Å; E79-V81 PolarHBondContact O-N 2.65Å; V81-F83 VanDerWaalsContact C-N 3.34Å; V81-F83 PolarHBondContact O-N 3.36Å; V81-S84 WeakPolarHBondContact O-CB 3.44Å; V81-S84 PolarHBondContact O-N 2.85Å; V81-S84 VanDerWaalsContact O-N 3.09Å; V81-S84 PolarHBondContact O-OG 3.09Å; V81-I85 HydrophobicContact CG1-CD1 4.44Å; V81-I85 WeakPolarHBondContact O-CG1 3.4Å; V81-I85 PolarHBondContact O-N 3.32Å; V81-A98 HydrophobicContact CG1-CB 4.19Å; V81-L101 HydrophobicContact CG2-CB 4.2Å; V81-L102 HydrophobicContact CG1-CD1 4.21Å; V81-L102 HydrophobicContact CG1-CD2 4.05Å; V81-L102 HydrophobicContact CG1-CG 3.91Å; V81-L102 HydrophobicContact CG2-CD2 4.01Å; V81-L102 HydrophobicContact CG2-CG 4.24Å; V81-I105 HydrophobicContact CG2-CD1 3.97Å; V81-Y119 HydrophobicContact CB-CE1 4.44Å; V81-Y119 HydrophobicContact CG1-CE1 3.85Å; V81-Y119 WeakPolarHBondContact CG1-OH 3.32Å
82D97.2Very high95.5Very high45 Ų4542.7 Ų42.724%0.24122%0.217CC..Hα-helixtrans-61.5-39.3176.6-91.8-6.4000112.9L78 E79 I85 Q86 Y119 K123L78-D82 WeakPolarHBondContact O-CB 3.49Å; L78-D82 PolarHBondContact O-N 2.8Å; E79-D82 PolarHBondContact O-N 3.06Å; D82-I85 PolarHBondContact O-N 3.45Å; D82-Q86 WeakPolarHBondContact O-CG 3.35Å; D82-Q86 PolarHBondContact O-N 2.97Å; D82-Q86 VanDerWaalsContact O-N 3.15Å; D82-Q86 PolarHBondContact O-NE2 3.49Å; D82-Y119 WeakPolarHBondContact OD1-CE2 3.21Å; D82-Y119 PolarHBondContact OD1-OH 3.08Å; D82-K123 WeakPolarHBondContact OD1-CE 3.34Å; D82-K123 IonicContact OD1-NZ 3.88Å; D82-K123 PolarHBondContact OD1-NZ 3.33Å; D82-K123 IonicContact OD2-NZ 3.43Å; D82-K123 PolarHBondContact OD2-NZ 3.09Å
83F97.9Very high95.7Very high2 Ų239.9 Ų39.91%0.00920%0.203CC..Hα-helixtrans-67.7-37.1172.6177.6-102.3000112.1V29 Y32 V34 L37 L59 E79 I80 V81 I85 Q86 A87V29-F83 HydrophobicContact CB-CE1 4.48Å; V29-F83 HydrophobicContact CG1-CE1 4.16Å; V29-F83 HydrophobicContact CG2-CE1 4.49Å; Y32-F83 VanDerWaalsContact CB-CD2 3.48Å; Y32-F83 HydrophobicContact CD1-CB 3.53Å; Y32-F83 AromaticContact CD1-CD1 3.8Å; Y32-F83 HydrophobicContact CD1-CD1 3.8Å; Y32-F83 HydrophobicContact CD1-CD2 4.02Å; Y32-F83 HydrophobicContact CD1-CE1 4.49Å; Y32-F83 AromaticContact CD1-CG 3.49Å; Y32-F83 HydrophobicContact CD1-CG 3.49Å; Y32-F83 VanDerWaalsContact CD1-CG 3.49Å; Y32-F83 HydrophobicContact CE1-CB 4.16Å; Y32-F83 HydrophobicContact CE1-CD1 4.5Å; Y32-F83 HydrophobicContact CE1-CG 4.41Å; Y32-F83 HydrophobicContact CG-CB 3.93Å; Y32-F83 HydrophobicContact CG-CD2 4.14Å; Y32-F83 HydrophobicContact CG-CG 4Å; Y32-F83 WeakPolarHBondContact O-CD2 3.49Å; Y32-F83 VanDerWaalsContact O-CE2 3.32Å; Y32-F83 WeakPolarHBondContact O-CE2 3.39Å; V34-F83 HydrophobicContact CB-CE2 4.38Å; V34-F83 HydrophobicContact CG2-CD2 3.87Å; V34-F83 HydrophobicContact CG2-CE2 3.45Å; V34-F83 VanDerWaalsContact CG2-CE2 3.45Å; V34-F83 HydrophobicContact CG2-CZ 4.41Å; L37-F83 HydrophobicContact CD2-CE1 4.1Å; L37-F83 HydrophobicContact CD2-CZ 3.69Å; L59-F83 HydrophobicContact CD2-CD1 3.66Å; L59-F83 HydrophobicContact CD2-CE1 4.01Å; E79-F83 WeakPolarHBondContact O-CB 3.38Å; E79-F83 PolarHBondContact O-N 3.28Å; I80-F83 PolarHBondContact O-N 3.28Å; V81-F83 VanDerWaalsContact C-N 3.34Å; V81-F83 PolarHBondContact O-N 3.36Å; F83-I85 VanDerWaalsContact C-N 3.27Å; F83-I85 PolarHBondContact O-N 3.11Å; F83-Q86 PolarHBondContact O-N 3.27Å; F83-A87 WeakPolarHBondContact O-CB 3.47Å; F83-A87 PolarHBondContact O-N 2.9Å
84S97.6Very high95.7Very high0 Ų039.4 Ų39.40%020%0.204CC..Hα-helixtrans-62.2-34.4174.582.30000112.7I80 V81 A88 A98I80-S84 PolarHBondContact O-N 3.16Å; V81-S84 WeakPolarHBondContact O-CB 3.44Å; V81-S84 PolarHBondContact O-N 2.85Å; V81-S84 VanDerWaalsContact O-N 3.09Å; V81-S84 PolarHBondContact O-OG 3.09Å; S84-A88 VanDerWaalsContact O-CB 3.3Å; S84-A88 WeakPolarHBondContact O-CB 3.34Å; S84-A88 PolarHBondContact O-N 2.92Å; S84-A98 WeakPolarHBondContact OG-CA 3.04Å; S84-A98 WeakPolarHBondContact OG-CB 3.21Å
85I97.3Very high95.9Very high6 Ų642.2 Ų42.23%0.03121%0.212CC..Hα-helixtrans-65.2-47.5173.2-67.6166000110.2V81 D82 F83 A88 Q89 A98 Y119 V126 W127 Y131V81-I85 HydrophobicContact CG1-CD1 4.44Å; V81-I85 WeakPolarHBondContact O-CG1 3.4Å; V81-I85 PolarHBondContact O-N 3.32Å; D82-I85 PolarHBondContact O-N 3.45Å; F83-I85 VanDerWaalsContact C-N 3.27Å; F83-I85 PolarHBondContact O-N 3.11Å; I85-A88 PolarHBondContact O-N 3.24Å; I85-Q89 WeakPolarHBondContact O-CG 3.47Å; I85-Q89 PolarHBondContact O-N 2.9Å; I85-A98 HydrophobicContact CG1-CB 3.86Å; I85-Y119 VanDerWaalsContact CD1-OH 3.29Å; I85-Y119 WeakPolarHBondContact CD1-OH 3.31Å; I85-V126 HydrophobicContact CG2-CG1 3.8Å; I85-W127 HydrophobicContact CD1-CH2 3.62Å; I85-W127 HydrophobicContact CD1-CZ3 4Å; I85-W127 HydrophobicContact CG1-CH2 4.33Å; I85-W127 HydrophobicContact CG1-CZ3 4.36Å; I85-Y131 HydrophobicContact CB-CE2 4.4Å; I85-Y131 HydrophobicContact CG2-CD2 4.35Å; I85-Y131 HydrophobicContact CG2-CE2 3.89Å
86Q96.8Very high96Very high90 Ų9039.2 Ų39.242%0.42119%0.194SC..Hα-helixtrans-64.2-42.6179.1-68.2173.160.100112.4V34 D82 F83 A88 Q89 N90V34-Q86 HydrophobicContact CG2-CB 3.93Å; D82-Q86 WeakPolarHBondContact O-CG 3.35Å; D82-Q86 PolarHBondContact O-N 2.97Å; D82-Q86 VanDerWaalsContact O-N 3.15Å; D82-Q86 PolarHBondContact O-NE2 3.49Å; F83-Q86 PolarHBondContact O-N 3.27Å; Q86-A88 VanDerWaalsContact C-N 3.32Å; Q86-A88 PolarHBondContact O-N 3.41Å; Q86-Q89 PolarHBondContact O-N 3.06Å; Q86-N90 PolarHBondContact O-N 3.45Å; Q86-N90 VanDerWaalsContact O-N 3.11Å; Q86-N90 PolarHBondContact O-ND2 3.44Å
87A97.1Very high96.1Very high0 Ų037.4 Ų37.40%019%0.19CC..Hα-helixtrans-59.5-42.9174.300000111.3F83 N90 E91 L92 L93F83-A87 WeakPolarHBondContact O-CB 3.47Å; F83-A87 PolarHBondContact O-N 2.9Å; A87-N90 CarbonylContact O-C 3.56Å; A87-N90 PolarHBondContact O-N 2.8Å; A87-N90 VanDerWaalsContact O-N 3.16Å; A87-E91 PolarHBondContact O-N 3.11Å; A87-L92 HydrophobicContact CB-CB 4.4Å; A87-L92 PolarHBondContact O-N 3.19Å; A87-L93 HydrophobicContact CB-CB 4.07Å; A87-L93 HydrophobicContact CB-CD2 4.28Å
88A96.1Very high96.1Very high2 Ų237.4 Ų37.42%0.01719%0.19CC..Hα-helixtrans-72.6-27.3177.800000114.4S84 I85 Q86 N90 E91 L93 R95 Y131S84-A88 VanDerWaalsContact O-CB 3.3Å; S84-A88 WeakPolarHBondContact O-CB 3.34Å; S84-A88 PolarHBondContact O-N 2.92Å; I85-A88 PolarHBondContact O-N 3.24Å; Q86-A88 VanDerWaalsContact C-N 3.32Å; Q86-A88 PolarHBondContact O-N 3.41Å; A88-N90 VanDerWaalsContact C-N 3.26Å; A88-E91 PolarHBondContact O-N 2.96Å; A88-L93 WeakPolarHBondContact CA-O 3.34Å; A88-L93 HydrophobicContact CB-CB 4.35Å; A88-L93 WeakPolarHBondContact CB-O 3.37Å; A88-R95 HydrophobicContact CB-CB 4.49Å; A88-R95 HydrophobicContact CB-CG 4.13Å; A88-Y131 HydrophobicContact CB-CE2 4.1Å
89Q95.1Very high96.2Very high99 Ų9935.9 Ų35.946%0.46318%0.182SC..Hα-helixtrans-70.7-22.9169.2-75.5172.7-25.500112.6I85 Q86 Y131I85-Q89 WeakPolarHBondContact O-CG 3.47Å; I85-Q89 PolarHBondContact O-N 2.9Å; Q86-Q89 PolarHBondContact O-N 3.06Å; Q89-Y131 HydrophobicContact CG-CD2 4.13Å; Q89-Y131 HydrophobicContact CG-CE2 4.29Å
90N95.2Very high96.1Very high62 Ų6234.4 Ų34.433%0.33218%0.184SC..THydrogen-bonded Turntrans-98.512.9175.8-74.7-94.6000113.1V34 Q86 A87 A88 L92V34-N90 HydrophobicContact CG1-CB 3.91Å; Q86-N90 PolarHBondContact O-N 3.45Å; Q86-N90 VanDerWaalsContact O-N 3.11Å; Q86-N90 PolarHBondContact O-ND2 3.44Å; A87-N90 CarbonylContact O-C 3.56Å; A87-N90 PolarHBondContact O-N 2.8Å; A87-N90 VanDerWaalsContact O-N 3.16Å; A88-N90 VanDerWaalsContact C-N 3.26Å; N90-L92 HydrophobicContact CB-CD1 4.34Å; N90-L92 HydrophobicContact CB-CG 4.11Å; N90-L92 PolarHBondContact O-N 3.24Å
91E94.4Very high96.1Very high156 Ų15634.8 Ų34.873%0.72919%0.186SC*.THydrogen-bonded Turntrans59.628.3178-55.1-178.916200113.7A87 A88A87-E91 PolarHBondContact O-N 3.11Å; A88-E91 PolarHBondContact O-N 2.96Å
92L95.3Very high96.1Very high14 Ų1434.8 Ų34.87%0.07319%0.186CC..SBendtrans-96.9-4.3175.8-50.2-179.6000113.2V34 L37 K38 L41 A87 N90V34-L92 HydrophobicContact CG1-CD1 3.88Å; L37-L92 HydrophobicContact CB-CD1 4.47Å; L37-L92 HydrophobicContact CD2-CD1 4.16Å; L37-L92 HydrophobicContact CG-CD1 4.18Å; K38-L92 HydrophobicContact CB-CD1 3.98Å; K38-L92 HydrophobicContact CB-CD2 4.08Å; K38-L92 HydrophobicContact CG-CD2 4.06Å; L41-L92 HydrophobicContact CD1-CB 4.14Å; L41-L92 HydrophobicContact CD1-CD1 4.48Å; L41-L92 HydrophobicContact CD1-CD2 4.29Å; A87-L92 HydrophobicContact CB-CB 4.4Å; A87-L92 PolarHBondContact O-N 3.19Å; N90-L92 HydrophobicContact CB-CD1 4.34Å; N90-L92 HydrophobicContact CB-CG 4.11Å; N90-L92 PolarHBondContact O-N 3.24Å
93L95.3Very high96Very high4 Ų433.7 Ų33.72%0.02118%0.182CC..SBendtrans-161.9138.7-171.3-175.764.7000110.6V55 A56 L59 A87 A88 R95 A97V55-L93 HydrophobicContact CB-CD1 4.23Å; V55-L93 HydrophobicContact CG1-CB 4.41Å; V55-L93 HydrophobicContact CG1-CD1 4.09Å; V55-L93 HydrophobicContact CG1-CD2 4.36Å; A56-L93 HydrophobicContact CB-CD1 3.73Å; L59-L93 HydrophobicContact CD1-CD2 3.54Å; A87-L93 HydrophobicContact CB-CB 4.07Å; A87-L93 HydrophobicContact CB-CD2 4.28Å; A88-L93 WeakPolarHBondContact CA-O 3.34Å; A88-L93 HydrophobicContact CB-CB 4.35Å; A88-L93 WeakPolarHBondContact CB-O 3.37Å; L93-R95 PolarHBondContact O-N 3.39Å; L93-A97 HydrophobicContact CD1-CB 3.88Å; L93-A97 HydrophobicContact CD2-CB 3.67Å; L93-A97 HydrophobicContact CG-CB 3.67Å
94C94.4Very high95.8Very high68 Ų6834.4 Ų34.446%0.45919%0.186SC..  trans-58.1131.4173.4174.90000111.7E52 G96 A97E52-C94 PolarHBondContact OE1-N 3.45Å; E52-C94 VanDerWaalsContact OE2-CB 3.24Å; E52-C94 WeakPolarHBondContact OE2-CB 3.3Å; E52-C94 PolarHBondContact OE2-N 3.32Å; E52-C94 VanDerWaalsContact OE2-N 3.11Å; C94-G96 PolarHBondContact O-N 3.16Å; C94-G96 PolarHBondContact SG-N 2.98Å; C94-G96 VanDerWaalsContact SG-N 3.44Å; C94-A97 WeakPolarHBondContact O-CB 3.32Å; C94-A97 PolarHBondContact O-N 3.26Å
95R94.3Very high95.8Very high88 Ų8834.5 Ų34.533%0.33219%0.186SC..THydrogen-bonded Turntrans-58.1-14.2178.3-55.6-179.1-172.5-179.6-1.3114.8A88 L93 A97 G130 Y131 V133 C135A88-R95 HydrophobicContact CB-CB 4.49Å; A88-R95 HydrophobicContact CB-CG 4.13Å; L93-R95 PolarHBondContact O-N 3.39Å; R95-A97 VanDerWaalsContact C-N 3.33Å; R95-G130 PolarHBondContact NH1-O 3.2Å; R95-Y131 HydrophobicContact CB-CE1 4.14Å; R95-Y131 HydrophobicContact CB-CE2 4.41Å; R95-Y131 VanDerWaalsContact CD-O 3.31Å; R95-Y131 WeakPolarHBondContact CD-O 3.26Å; R95-Y131 HydrophobicContact CG-CE2 4.4Å; R95-Y131 WeakPolarHBondContact O-CE1 3.42Å; R95-Y131 PolarHBondContact O-OH 2.85Å; R95-V133 PolarHBondContact NH1-O 3.31Å; R95-C135 HydrophobicContact CB-CB 4.17Å
96G95.1Very high95.5Very high17 Ų1734.3 Ų34.318%0.17519%0.185CC..THydrogen-bonded Turntrans-74.8-19.417200000114.2C94 A98 F99 A100C94-G96 PolarHBondContact O-N 3.16Å; C94-G96 PolarHBondContact SG-N 2.98Å; C94-G96 VanDerWaalsContact SG-N 3.44Å; G96-A98 PolarHBondContact O-N 3.08Å; G96-F99 PolarHBondContact O-N 3.32Å; G96-A100 PolarHBondContact O-N 3.05Å
97A96Very high95.3Very high16 Ų1634.7 Ų34.713%0.13219%0.191CC..Hα-helixtrans-62.9-41.2-172.800000113L93 C94 R95 F99 A100 L101L93-A97 HydrophobicContact CD1-CB 3.88Å; L93-A97 HydrophobicContact CD2-CB 3.67Å; L93-A97 HydrophobicContact CG-CB 3.67Å; C94-A97 WeakPolarHBondContact O-CB 3.32Å; C94-A97 PolarHBondContact O-N 3.26Å; R95-A97 VanDerWaalsContact C-N 3.33Å; A97-F99 PolarHBondContact O-N 3.31Å; A97-A100 WeakPolarHBondContact O-CB 3.13Å; A97-A100 PolarHBondContact O-N 3.07Å; A97-L101 WeakPolarHBondContact O-CG 3.45Å; A97-L101 PolarHBondContact O-N 2.66Å
98A96.7Very high95.1Very high0 Ų038.4 Ų38.40%021%0.209CC..Hα-helixtrans-55.2-41.1176.400000112.1V81 S84 I85 G96 L101 L102V81-A98 HydrophobicContact CG1-CB 4.19Å; S84-A98 WeakPolarHBondContact OG-CA 3.04Å; S84-A98 WeakPolarHBondContact OG-CB 3.21Å; I85-A98 HydrophobicContact CG1-CB 3.86Å; G96-A98 PolarHBondContact O-N 3.08Å; A98-L101 PolarHBondContact O-N 2.94Å; A98-L102 VanDerWaalsContact O-CG 3.27Å; A98-L102 WeakPolarHBondContact O-CG 3.38Å; A98-L102 PolarHBondContact O-N 3.29Å
99F96.5Very high94.9Very high1 Ų138.4 Ų38.40%0.00421%0.21CC..Hα-helixtrans-73.1-29.7178-60.2-53.6000113.3G96 A97 L102 C103 M120 W127 Y131 L132 C135 A138 Y139 T142G96-F99 PolarHBondContact O-N 3.32Å; A97-F99 PolarHBondContact O-N 3.31Å; F99-L102 HydrophobicContact CD1-CD1 4.18Å; F99-C103 WeakPolarHBondContact O-CB 3.47Å; F99-C103 PolarHBondContact O-N 3.3Å; F99-C103 PolarHBondContact O-SG 3.48Å; F99-C103 VanDerWaalsContact O-SG 3.36Å; F99-M120 HydrophobicContact CE1-CE 4.46Å; F99-W127 HydrophobicContact CE1-CE3 4.26Å; F99-W127 AromaticContact CE1-CH2 3.93Å; F99-W127 HydrophobicContact CE1-CH2 3.93Å; F99-W127 HydrophobicContact CE1-CZ2 4.26Å; F99-W127 AromaticContact CE1-CZ3 3.94Å; F99-W127 HydrophobicContact CE1-CZ3 3.94Å; F99-W127 HydrophobicContact CZ-CD2 4.36Å; F99-W127 AromaticContact CZ-CE3 3.78Å; F99-W127 HydrophobicContact CZ-CE3 3.78Å; F99-W127 HydrophobicContact CZ-CH2 4.14Å; F99-W127 AromaticContact CZ-CZ3 3.66Å; F99-W127 HydrophobicContact CZ-CZ3 3.66Å; F99-Y131 HydrophobicContact CE2-CD1 4.36Å; F99-Y131 AromaticContact CE2-CE1 3.97Å; F99-Y131 HydrophobicContact CE2-CE1 3.97Å; F99-Y131 HydrophobicContact CZ-CD1 4.41Å; F99-Y131 HydrophobicContact CZ-CE1 4.2Å; F99-L132 HydrophobicContact CE2-CD2 3.77Å; F99-L132 HydrophobicContact CZ-CD2 3.62Å; F99-C135 HydrophobicContact CE2-CB 4.46Å; F99-A138 HydrophobicContact CB-CB 3.87Å; F99-A138 HydrophobicContact CD2-CB 3.93Å; F99-A138 HydrophobicContact CG-CB 4.24Å; F99-Y139 HydrophobicContact CD1-CD2 4.29Å; F99-Y139 AromaticContact CE1-CD2 3.54Å; F99-Y139 HydrophobicContact CE1-CD2 3.54Å; F99-Y139 HydrophobicContact CE1-CE2 4.41Å; F99-Y139 HydrophobicContact CE1-CG 4.4Å; F99-Y139 AromaticContact CZ-CD2 3.7Å; F99-Y139 HydrophobicContact CZ-CD2 3.7Å; F99-Y139 HydrophobicContact CZ-CG 4.31Å; F99-T142 PolarHBondContact O-OG1 2.96Å
100A95.8Very high94.7Very high52 Ų5237.2 Ų37.243%0.4321%0.21SC..Hα-helixtrans-68-46.9171.100000111.3G96 A97 L102 C103 D104G96-A100 PolarHBondContact O-N 3.05Å; A97-A100 WeakPolarHBondContact O-CB 3.13Å; A97-A100 PolarHBondContact O-N 3.07Å; A100-L102 PolarHBondContact O-N 3.37Å; A100-C103 WeakPolarHBondContact O-CB 3.45Å; A100-C103 PolarHBondContact O-N 2.84Å; A100-C103 VanDerWaalsContact O-N 3.12Å; A100-D104 PolarHBondContact O-N 2.79Å
101L97.2Very high94.4Very high8 Ų839.5 Ų39.54%0.04223%0.231CC..Hα-helixtrans-61-43176.4-63.1169.6000111.5L59 R60 L63 I80 V81 A97 A98 C103 D104 I105L59-L101 HydrophobicContact CB-CD1 4.35Å; L59-L101 HydrophobicContact CB-CD2 4.47Å; R60-L101 HydrophobicContact CB-CD2 4.33Å; L63-L101 HydrophobicContact CB-CD2 4.42Å; L63-L101 HydrophobicContact CD2-CB 4.18Å; L63-L101 HydrophobicContact CD2-CD2 3.81Å; I80-L101 HydrophobicContact CG2-CD1 4.38Å; V81-L101 HydrophobicContact CG2-CB 4.2Å; A97-L101 WeakPolarHBondContact O-CG 3.45Å; A97-L101 PolarHBondContact O-N 2.66Å; A98-L101 PolarHBondContact O-N 2.94Å; L101-C103 VanDerWaalsContact C-N 3.33Å; L101-C103 PolarHBondContact O-N 3.26Å; L101-D104 PolarHBondContact O-N 2.81Å; L101-I105 WeakPolarHBondContact O-CG1 3.12Å; L101-I105 PolarHBondContact O-N 2.88Å
102L96.7Very high94.1Very high0 Ų032.3 Ų32.30%020%0.198CC..Hα-helixtrans-60.4-42173.2-71.6168.2000112V81 A98 F99 A100 D104 I105 V106 I116 Y119 M120 T142V81-L102 HydrophobicContact CG1-CD1 4.21Å; V81-L102 HydrophobicContact CG1-CD2 4.05Å; V81-L102 HydrophobicContact CG1-CG 3.91Å; V81-L102 HydrophobicContact CG2-CD2 4.01Å; V81-L102 HydrophobicContact CG2-CG 4.24Å; A98-L102 VanDerWaalsContact O-CG 3.27Å; A98-L102 WeakPolarHBondContact O-CG 3.38Å; A98-L102 PolarHBondContact O-N 3.29Å; F99-L102 HydrophobicContact CD1-CD1 4.18Å; A100-L102 PolarHBondContact O-N 3.37Å; L102-D104 VanDerWaalsContact C-N 3.34Å; L102-D104 PolarHBondContact O-N 3.18Å; L102-I105 PolarHBondContact O-N 3.27Å; L102-V106 VanDerWaalsContact O-CG2 3.27Å; L102-V106 WeakPolarHBondContact O-CG2 3.39Å; L102-V106 PolarHBondContact O-N 3.36Å; L102-V106 VanDerWaalsContact O-N 3.11Å; L102-I116 HydrophobicContact CD2-CG2 4.08Å; L102-Y119 HydrophobicContact CD1-CE1 4.37Å; L102-Y119 HydrophobicContact CD2-CD1 4.01Å; L102-Y119 HydrophobicContact CD2-CE1 4.03Å; L102-M120 HydrophobicContact CD1-CG 4.12Å; L102-M120 HydrophobicContact CD1-SD 4.25Å; L102-T142 HydrophobicContact CB-CG2 4.19Å
103C94.8Very high93.9Very high23 Ų2332.6 Ų32.616%0.15520%0.198CC..Hα-helixtrans-63.1-37.1175.1-82.80000113.1F99 A100 L101 V106 D107 T142 K145F99-C103 WeakPolarHBondContact O-CB 3.47Å; F99-C103 PolarHBondContact O-N 3.3Å; F99-C103 PolarHBondContact O-SG 3.48Å; F99-C103 VanDerWaalsContact O-SG 3.36Å; A100-C103 WeakPolarHBondContact O-CB 3.45Å; A100-C103 PolarHBondContact O-N 2.84Å; A100-C103 VanDerWaalsContact O-N 3.12Å; L101-C103 VanDerWaalsContact C-N 3.33Å; L101-C103 PolarHBondContact O-N 3.26Å; C103-V106 PolarHBondContact O-N 2.84Å; C103-D107 PolarHBondContact O-N 2.95Å; C103-T142 PolarHBondContact SG-OG1 2.88Å; C103-T142 VanDerWaalsContact SG-OG1 3.33Å; C103-K145 HydrophobicContact CB-CD 4.36Å; C103-K145 PolarHBondContact O-NZ 3.47Å
104D95Very high93.5Very high16 Ų1635.6 Ų35.69%0.08622%0.215CC..Hα-helixtrans-67.5-43.1176.8-71.5-22.5000112R60 L63 A100 L101 L102 V106 D107 I108R60-D104 IonicContact CZ-OD1 3.47Å; R60-D104 IonicContact CZ-OD2 3.76Å; R60-D104 IonicContact NE-OD1 2.68Å; R60-D104 IonicContact NE-OD2 2.66Å; R60-D104 PolarHBondContact NE-OD2 3.46Å; R60-D104 VanDerWaalsContact NH2-CG 3.33Å; R60-D104 IonicContact NH2-OD1 3.76Å; R60-D104 PolarHBondContact NH2-OD1 3.28Å; R60-D104 IonicContact NH2-OD2 2.67Å; R60-D104 PolarHBondContact NH2-OD2 3.06Å; L63-D104 HydrophobicContact CD2-CB 3.9Å; A100-D104 PolarHBondContact O-N 2.79Å; L101-D104 PolarHBondContact O-N 2.81Å; L102-D104 VanDerWaalsContact C-N 3.34Å; L102-D104 PolarHBondContact O-N 3.18Å; D104-V106 VanDerWaalsContact C-N 3.28Å; D104-V106 PolarHBondContact O-N 3.04Å; D104-D107 PolarHBondContact O-N 2.93Å; D104-I108 WeakPolarHBondContact O-CG1 3.46Å; D104-I108 PolarHBondContact O-N 2.99Å
105I95.8Very high93.3Very high2 Ų236.3 Ų36.31%0.0121%0.213CC..Hα-helixtrans-58.7-45.1174.5-59.5163.2000109.7L63 L67 L77 V81 L101 L102 D107 I108 A109 C112 I116L63-I105 HydrophobicContact CD1-CD1 4.01Å; L63-I105 HydrophobicContact CD1-CG1 3.86Å; L63-I105 HydrophobicContact CD2-CG1 4.08Å; L63-I105 HydrophobicContact CG-CG1 4.33Å; L67-I105 HydrophobicContact CD1-CG1 4.47Å; L67-I105 HydrophobicContact CD2-CG2 4.26Å; L77-I105 HydrophobicContact CB-CD1 3.99Å; L77-I105 HydrophobicContact CB-CG1 4.48Å; L77-I105 HydrophobicContact CD1-CG1 4.37Å; L77-I105 HydrophobicContact CD1-CG2 3.91Å; V81-I105 HydrophobicContact CG2-CD1 3.97Å; L101-I105 WeakPolarHBondContact O-CG1 3.12Å; L101-I105 PolarHBondContact O-N 2.88Å; L102-I105 PolarHBondContact O-N 3.27Å; I105-D107 PolarHBondContact O-N 2.73Å; I105-I108 PolarHBondContact O-N 3.42Å; I105-A109 CarbonylContact O-C 3.6Å; I105-A109 WeakPolarHBondContact O-CA 3.33Å; I105-A109 PolarHBondContact O-N 3.14Å; I105-C112 HydrophobicContact CG2-CB 4.13Å; I105-I116 HydrophobicContact CB-CD1 3.97Å; I105-I116 HydrophobicContact CG2-CD1 3.47Å; I105-I116 VanDerWaalsContact CG2-CD1 3.47Å; I105-I116 HydrophobicContact CG2-CG1 4.33Å
106V92.7Very high93.2Very high2 Ų232.2 Ų32.21%0.01220%0.198CC..Hα-helixtrans-62.4-40179.5170.90000112.4L102 C103 D104 P110 I116 K145 L146 L149L102-V106 VanDerWaalsContact O-CG2 3.27Å; L102-V106 WeakPolarHBondContact O-CG2 3.39Å; L102-V106 PolarHBondContact O-N 3.36Å; L102-V106 VanDerWaalsContact O-N 3.11Å; C103-V106 PolarHBondContact O-N 2.84Å; D104-V106 VanDerWaalsContact C-N 3.28Å; D104-V106 PolarHBondContact O-N 3.04Å; V106-P110 WeakPolarHBondContact O-CA 3.2Å; V106-P110 WeakPolarHBondContact O-CG 3.2Å; V106-I116 HydrophobicContact CG2-CD1 3.54Å; V106-I116 HydrophobicContact CG2-CG2 4.08Å; V106-K145 HydrophobicContact CG1-CD 4.33Å; V106-K145 HydrophobicContact CG1-CG 4.45Å; V106-L146 HydrophobicContact CG2-CD2 3.71Å; V106-L149 HydrophobicContact CG1-CD1 3.17Å
107D92.7Very high93Very high99 Ų9931.4 Ų31.453%0.52919%0.189SC..Hα-helixtrans-69.4-43.2178.9-77.5-26.4000112.5C103 D104 I105 K145C103-D107 PolarHBondContact O-N 2.95Å; D104-D107 PolarHBondContact O-N 2.93Å; I105-D107 PolarHBondContact O-N 2.73Å; D107-K145 WeakPolarHBondContact OD1-CE 3.44Å; D107-K145 IonicContact OD1-NZ 2.84Å; D107-K145 PolarHBondContact OD1-NZ 2.86Å; D107-K145 IonicContact OD2-NZ 2.73Å; D107-K145 PolarHBondContact OD2-NZ 2.6Å
108I93Very high92.8Very high77 Ų7734.2 Ų34.240%0.39520%0.202SC..Hα-helixtrans-85.2-31.9-171.9-63.7166.3000111.2L64 L67 D104 I105L64-I108 HydrophobicContact CD2-CD1 3.37Å; L67-I108 HydrophobicContact CB-CG2 3.96Å; L67-I108 HydrophobicContact CD1-CB 4.2Å; L67-I108 HydrophobicContact CD1-CD1 3.85Å; L67-I108 HydrophobicContact CD1-CG2 4.33Å; L67-I108 HydrophobicContact CD2-CB 4.49Å; L67-I108 HydrophobicContact CD2-CG2 4.32Å; L67-I108 HydrophobicContact CG-CG2 4.44Å; D104-I108 WeakPolarHBondContact O-CG1 3.46Å; D104-I108 PolarHBondContact O-N 2.99Å; I105-I108 PolarHBondContact O-N 3.42Å
109A91.7Very high92.8Very high3 Ų334.9 Ų34.93%0.02521%0.205CC..  trans-132.972.917900000111.8L67 I72 I105 S111 C112L67-A109 HydrophobicContact CD2-CB 4.04Å; I72-A109 HydrophobicContact CD1-CB 3.68Å; I105-A109 CarbonylContact O-C 3.6Å; I105-A109 WeakPolarHBondContact O-CA 3.33Å; I105-A109 PolarHBondContact O-N 3.14Å; A109-S111 PolarHBondContact O-N 3.08Å; A109-C112 HydrophobicContact CB-CB 4.42Å; A109-C112 WeakPolarHBondContact O-CB 3.29Å; A109-C112 PolarHBondContact O-N 3.29Å
110P89.3Confident92.6Very high73 Ų7334.8 Ų34.847%0.47421%0.205SC..G310 helixtrans-54.8-25.7175.9-26.334.4000113.8V106 C112 Y113V106-P110 WeakPolarHBondContact O-CA 3.2Å; V106-P110 WeakPolarHBondContact O-CG 3.2Å; P110-C112 PolarHBondContact O-N 3.46Å; P110-Y113 WeakPolarHBondContact O-CB 3.4Å; P110-Y113 PolarHBondContact O-N 2.9Å; P110-Y113 VanDerWaalsContact O-N 3.08Å
111S88.7Confident92.5Very high110 Ų11033.8 Ų33.877%0.76919%0.194SC*.G310 helixtrans-62.3-2017355.30000114.5A109 Y113A109-S111 PolarHBondContact O-N 3.08Å; S111-Y113 PolarHBondContact O-N 3.19Å
112C89.7Confident92.4Very high5 Ų537.3 Ų37.33%0.03422%0.22CC..G310 helixtrans-81-1.6175.3-63.50000113.3I105 A109 P110 D114 L115 I116I105-C112 HydrophobicContact CG2-CB 4.13Å; A109-C112 HydrophobicContact CB-CB 4.42Å; A109-C112 WeakPolarHBondContact O-CB 3.29Å; A109-C112 PolarHBondContact O-N 3.29Å; P110-C112 PolarHBondContact O-N 3.46Å; C112-D114 PolarHBondContact O-N 3.02Å; C112-L115 WeakPolarHBondContact O-CB 3.23Å; C112-L115 PolarHBondContact O-N 3.06Å; C112-L115 VanDerWaalsContact O-N 3.07Å; C112-I116 HydrophobicContact CB-CD1 3.9Å; C112-I116 HydrophobicContact CB-CG1 4.45Å; C112-I116 WeakPolarHBondContact O-CG1 3.44Å; C112-I116 PolarHBondContact O-N 3.49Å
113Y89.9Confident92.3Very high21 Ų2139.6 Ų39.68%0.08223%0.229CC..Hα-helixtrans-43.3-58-176.2177.4-97.1000114.5P110 S111 L115 I116 V117 L146 L149 F150P110-Y113 WeakPolarHBondContact O-CB 3.4Å; P110-Y113 PolarHBondContact O-N 2.9Å; P110-Y113 VanDerWaalsContact O-N 3.08Å; S111-Y113 PolarHBondContact O-N 3.19Å; Y113-L115 VanDerWaalsContact C-N 3.26Å; Y113-L115 PolarHBondContact O-N 3.01Å; Y113-I116 WeakPolarHBondContact O-CB 3.2Å; Y113-I116 PolarHBondContact O-N 2.89Å; Y113-I116 VanDerWaalsContact O-N 3.13Å; Y113-V117 HydrophobicContact CD1-CG2 4.32Å; Y113-V117 HydrophobicContact CD2-CG2 4.49Å; Y113-V117 HydrophobicContact CE1-CG2 3.77Å; Y113-V117 HydrophobicContact CE2-CG2 3.97Å; Y113-V117 WeakPolarHBondContact O-CG2 3.27Å; Y113-V117 PolarHBondContact O-N 2.83Å; Y113-L146 HydrophobicContact CD2-CD2 3.68Å; Y113-L146 HydrophobicContact CE2-CB 3.82Å; Y113-L146 HydrophobicContact CE2-CD2 3.48Å; Y113-L146 VanDerWaalsContact CE2-CD2 3.48Å; Y113-L146 HydrophobicContact CE2-CG 4.26Å; Y113-L146 WeakPolarHBondContact CE2-O 3.41Å; Y113-L146 VanDerWaalsContact CZ-O 3.31Å; Y113-L146 PolarHBondContact OH-O 2.78Å; Y113-L149 HydrophobicContact CD2-CB 3.79Å; Y113-L149 HydrophobicContact CD2-CD1 4.2Å; Y113-L149 HydrophobicContact CE2-CB 3.71Å; Y113-F150 AromaticContact CE1-CD1 3.69Å; Y113-F150 HydrophobicContact CE1-CD1 3.69Å; Y113-F150 AromaticContact CE1-CE1 3.58Å; Y113-F150 HydrophobicContact CE1-CE1 3.58Å; Y113-F150 HydrophobicContact CE1-CG 4.28Å; Y113-F150 HydrophobicContact CE1-CZ 4.08Å; Y113-F150 AromaticContact CZ-CD1 3.91Å; Y113-F150 AromaticContact CZ-CE1 3.96Å; Y113-F150 WeakPolarHBondContact OH-CD1 3.38Å; Y113-F150 WeakPolarHBondContact OH-CD2 3.33Å; Y113-F150 WeakPolarHBondContact OH-CE1 3.32Å; Y113-F150 WeakPolarHBondContact OH-CE2 3.39Å; Y113-F150 WeakPolarHBondContact OH-CG 3.11Å; Y113-F150 VanDerWaalsContact OH-CZ 3.28Å; Y113-F150 WeakPolarHBondContact OH-CZ 3.4Å
114D88.2Confident92.1Very high67 Ų6739.5 Ų39.536%0.35823%0.228SC..Hα-helixtrans-59.4-37-177.1-100.66.3000112.7C112 N118 R158C112-D114 PolarHBondContact O-N 3.02Å; D114-N118 WeakPolarHBondContact O-CB 3.12Å; D114-N118 PolarHBondContact O-N 3.31Å; D114-N118 PolarHBondContact O-ND2 2.91Å; D114-N118 PolarHBondContact O-OD1 3.13Å; D114-R158 IonicContact OD1-CZ 2.68Å; D114-R158 IonicContact OD1-NH1 2.7Å; D114-R158 PolarHBondContact OD1-NH1 2.84Å; D114-R158 IonicContact OD1-NH2 3.33Å; D114-R158 IonicContact OD2-CZ 3.53Å; D114-R158 IonicContact OD2-NH1 3.21Å; D114-R158 PolarHBondContact OD2-NH1 3.4Å; D114-R158 IonicContact OD2-NH2 3.66Å; D114-R158 PolarHBondContact OD2-NH2 3.24Å
115L90Very high92Very high83 Ų8344.6 Ų44.644%0.43526%0.255SS..Hα-helixtrans-72.6-36.7-179.6-61.9171.5000110.8V74 C112 Y113 Y119V74-L115 HydrophobicContact CB-CD1 4.12Å; V74-L115 HydrophobicContact CG1-CB 4.13Å; V74-L115 HydrophobicContact CG1-CD1 3.78Å; V74-L115 HydrophobicContact CG2-CD1 3.95Å; C112-L115 WeakPolarHBondContact O-CB 3.23Å; C112-L115 PolarHBondContact O-N 3.06Å; C112-L115 VanDerWaalsContact O-N 3.07Å; Y113-L115 VanDerWaalsContact C-N 3.26Å; Y113-L115 PolarHBondContact O-N 3.01Å; L115-Y119 VanDerWaalsContact O-CB 3.3Å; L115-Y119 WeakPolarHBondContact O-CB 3.42Å; L115-Y119 PolarHBondContact O-N 2.68Å
116I92Very high92Very high1 Ų146.1 Ų46.11%0.00526%0.264CS..Hα-helixtrans-69-42.1175.7-67.6162.9000111L102 I105 V106 C112 Y113 Y119 M120 L146L102-I116 HydrophobicContact CD2-CG2 4.08Å; I105-I116 HydrophobicContact CB-CD1 3.97Å; I105-I116 HydrophobicContact CG2-CD1 3.47Å; I105-I116 VanDerWaalsContact CG2-CD1 3.47Å; I105-I116 HydrophobicContact CG2-CG1 4.33Å; V106-I116 HydrophobicContact CG2-CD1 3.54Å; V106-I116 HydrophobicContact CG2-CG2 4.08Å; C112-I116 HydrophobicContact CB-CD1 3.9Å; C112-I116 HydrophobicContact CB-CG1 4.45Å; C112-I116 WeakPolarHBondContact O-CG1 3.44Å; C112-I116 PolarHBondContact O-N 3.49Å; Y113-I116 WeakPolarHBondContact O-CB 3.2Å; Y113-I116 PolarHBondContact O-N 2.89Å; Y113-I116 VanDerWaalsContact O-N 3.13Å; I116-Y119 PolarHBondContact O-N 3.1Å; I116-M120 WeakPolarHBondContact O-CG 3.49Å; I116-M120 PolarHBondContact O-N 3.28Å; I116-L146 HydrophobicContact CG2-CD1 4.34Å; I116-L146 HydrophobicContact CG2-CD2 4.02Å
117V91.3Very high92Very high0 Ų046.1 Ų46.10%026%0.264CS..Hα-helixtrans-60.5-48.6173.31670000110.9Y113 Y119 M120 C121 L146 V162Y113-V117 HydrophobicContact CD1-CG2 4.32Å; Y113-V117 HydrophobicContact CD2-CG2 4.49Å; Y113-V117 HydrophobicContact CE1-CG2 3.77Å; Y113-V117 HydrophobicContact CE2-CG2 3.97Å; Y113-V117 WeakPolarHBondContact O-CG2 3.27Å; Y113-V117 PolarHBondContact O-N 2.83Å; V117-Y119 VanDerWaalsContact C-N 3.33Å; V117-Y119 PolarHBondContact O-N 2.89Å; V117-M120 PolarHBondContact O-N 2.89Å; V117-C121 PolarHBondContact O-N 3.45Å; V117-C121 PolarHBondContact O-SG 3.28Å; V117-L146 HydrophobicContact CG2-CD1 4.21Å; V117-L146 HydrophobicContact CG2-CD2 4.18Å; V117-V162 HydrophobicContact CG1-CB 4.12Å; V117-V162 HydrophobicContact CG1-CG1 3.52Å; V117-V162 HydrophobicContact CG1-CG2 3.38Å
118N92Very high91.8Very high76 Ų7646.3 Ų46.341%0.40626%0.262SS..Hα-helixtrans-60.5-41.9176.8-68.5-13.9000111.6D114 C121 S122 R158D114-N118 WeakPolarHBondContact O-CB 3.12Å; D114-N118 PolarHBondContact O-N 3.31Å; D114-N118 PolarHBondContact O-ND2 2.91Å; D114-N118 PolarHBondContact O-OD1 3.13Å; N118-C121 PolarHBondContact O-N 3.15Å; N118-S122 PolarHBondContact O-N 3Å; N118-R158 PolarHBondContact ND2-NH2 2.63Å; N118-R158 PolarHBondContact OD1-NH2 3.23Å
119Y94.7Very high91.5Very high13 Ų1346.6 Ų46.65%0.05127%0.271CS..Hα-helixtrans-63.9-45.1175.6171.4-92000112.6L78 V81 D82 I85 L102 L115 I116 V117 C121 S122 K123L78-Y119 HydrophobicContact CB-CD2 4.2Å; L78-Y119 HydrophobicContact CB-CE2 4.25Å; L78-Y119 HydrophobicContact CD1-CD2 3.97Å; L78-Y119 HydrophobicContact CD1-CG 4.28Å; L78-Y119 HydrophobicContact CD2-CD1 4.07Å; L78-Y119 HydrophobicContact CD2-CD2 3.81Å; L78-Y119 HydrophobicContact CD2-CE2 4.28Å; L78-Y119 HydrophobicContact CD2-CG 3.7Å; L78-Y119 HydrophobicContact CG-CD2 4.2Å; L78-Y119 HydrophobicContact CG-CG 4.5Å; V81-Y119 HydrophobicContact CB-CE1 4.44Å; V81-Y119 HydrophobicContact CG1-CE1 3.85Å; V81-Y119 WeakPolarHBondContact CG1-OH 3.32Å; D82-Y119 WeakPolarHBondContact OD1-CE2 3.21Å; D82-Y119 PolarHBondContact OD1-OH 3.08Å; I85-Y119 VanDerWaalsContact CD1-OH 3.29Å; I85-Y119 WeakPolarHBondContact CD1-OH 3.31Å; L102-Y119 HydrophobicContact CD1-CE1 4.37Å; L102-Y119 HydrophobicContact CD2-CD1 4.01Å; L102-Y119 HydrophobicContact CD2-CE1 4.03Å; L115-Y119 VanDerWaalsContact O-CB 3.3Å; L115-Y119 WeakPolarHBondContact O-CB 3.42Å; L115-Y119 PolarHBondContact O-N 2.68Å; I116-Y119 PolarHBondContact O-N 3.1Å; V117-Y119 VanDerWaalsContact C-N 3.33Å; V117-Y119 PolarHBondContact O-N 2.89Å; Y119-C121 VanDerWaalsContact C-N 3.27Å; Y119-C121 PolarHBondContact O-N 3.31Å; Y119-S122 PolarHBondContact O-N 3.25Å; Y119-S122 PolarHBondContact O-OG 3.27Å; Y119-S122 VanDerWaalsContact O-OG 3.04Å; Y119-K123 HydrophobicContact CD2-CG 4.32Å; Y119-K123 HydrophobicContact CE1-CG 4.2Å; Y119-K123 HydrophobicContact CE2-CD 4.34Å; Y119-K123 HydrophobicContact CE2-CG 3.98Å; Y119-K123 WeakPolarHBondContact O-CG 3.33Å; Y119-K123 PolarHBondContact O-N 2.88Å; Y119-K123 VanDerWaalsContact O-N 3.07Å
120M93.9Very high91.4Very high0 Ų047.9 Ų47.90%029%0.285CS..Hα-helixtrans-62.9-35.7176.5-76.2-167.56700111.9F99 L102 I116 V117 W127 Y139 T142 I143 L146 L166F99-M120 HydrophobicContact CE1-CE 4.46Å; L102-M120 HydrophobicContact CD1-CG 4.12Å; L102-M120 HydrophobicContact CD1-SD 4.25Å; I116-M120 WeakPolarHBondContact O-CG 3.49Å; I116-M120 PolarHBondContact O-N 3.28Å; V117-M120 PolarHBondContact O-N 2.89Å; M120-W127 PolarHBondContact O-NE1 3.24Å; M120-Y139 HydrophobicContact CE-CD2 3.79Å; M120-Y139 HydrophobicContact CE-CE2 3.54Å; M120-T142 HydrophobicContact CE-CG2 4.3Å; M120-T142 HydrophobicContact SD-CG2 3.78Å; M120-I143 HydrophobicContact CE-CG1 4.07Å; M120-L146 HydrophobicContact SD-CD1 3.5Å; M120-L146 WeakPolarHBondContact SD-CD1 3.35Å; M120-L166 HydrophobicContact CB-CD2 3.97Å; M120-L166 HydrophobicContact CE-CD2 4.21Å
121C93.1Very high91.4Very high30 Ų3044.7 Ų44.720%0.20326%0.263CS..Hα-helixtrans-70.2-40.3174.7-63.60000112.3V117 N118 Y119 K123 T124V117-C121 PolarHBondContact O-N 3.45Å; V117-C121 PolarHBondContact O-SG 3.28Å; N118-C121 PolarHBondContact O-N 3.15Å; Y119-C121 VanDerWaalsContact C-N 3.27Å; Y119-C121 PolarHBondContact O-N 3.31Å; C121-K123 VanDerWaalsContact C-N 3.26Å; C121-K123 PolarHBondContact O-N 3.18Å; C121-T124 WeakPolarHBondContact O-CB 3.42Å; C121-T124 PolarHBondContact O-N 2.96Å; C121-T124 PolarHBondContact O-OG1 3.24Å
122S94.2Very high91.4Very high83 Ų8339.9 Ų39.958%0.5823%0.229SC*.Hα-helixtrans-69.9-21.8178.571.70000113.5N118 Y119N118-S122 PolarHBondContact O-N 3Å; Y119-S122 PolarHBondContact O-N 3.25Å; Y119-S122 PolarHBondContact O-OG 3.27Å; Y119-S122 VanDerWaalsContact O-OG 3.04Å
123K94.8Very high91.2Very high48 Ų4844.4 Ų44.421%0.20926%0.256CS..THydrogen-bonded Turntrans-92.314175.5-60.1-72.2170.6158.20114.2D82 Y119 C121 D125 V126 W127D82-K123 WeakPolarHBondContact OD1-CE 3.34Å; D82-K123 IonicContact OD1-NZ 3.88Å; D82-K123 PolarHBondContact OD1-NZ 3.33Å; D82-K123 IonicContact OD2-NZ 3.43Å; D82-K123 PolarHBondContact OD2-NZ 3.09Å; Y119-K123 HydrophobicContact CD2-CG 4.32Å; Y119-K123 HydrophobicContact CE1-CG 4.2Å; Y119-K123 HydrophobicContact CE2-CD 4.34Å; Y119-K123 HydrophobicContact CE2-CG 3.98Å; Y119-K123 WeakPolarHBondContact O-CG 3.33Å; Y119-K123 PolarHBondContact O-N 2.88Å; Y119-K123 VanDerWaalsContact O-N 3.07Å; C121-K123 VanDerWaalsContact C-N 3.26Å; C121-K123 PolarHBondContact O-N 3.18Å; K123-D125 VanDerWaalsContact C-N 3.26Å; K123-D125 PolarHBondContact O-N 2.85Å; K123-V126 HydrophobicContact CB-CB 4.5Å; K123-V126 HydrophobicContact CD-CG2 4.24Å; K123-V126 WeakPolarHBondContact O-CB 3.49Å; K123-V126 PolarHBondContact O-N 3.18Å; K123-W127 HydrophobicContact CB-CD2 4.47Å; K123-W127 HydrophobicContact CB-CH2 4.33Å; K123-W127 HydrophobicContact CB-CZ2 3.53Å; K123-W127 HydrophobicContact CG-CZ2 4.32Å; K123-W127 VanDerWaalsContact O-CD1 3.29Å; K123-W127 PolarHBondContact O-N 3Å; K123-W127 VanDerWaalsContact O-N 3.17Å; K123-W127 PolarHBondContact O-NE1 3.21Å
124T92.1Very high91Very high20 Ų2047.6 Ų47.612%0.12330%0.295CS..Hα-helixtrans-48.3-44.5179.5-66.50000113.1C121 V126 W127 Q128C121-T124 WeakPolarHBondContact O-CB 3.42Å; C121-T124 PolarHBondContact O-N 2.96Å; C121-T124 PolarHBondContact O-OG1 3.24Å; T124-V126 VanDerWaalsContact C-N 3.31Å; T124-V126 PolarHBondContact O-N 3.34Å; T124-W127 PolarHBondContact O-N 3.41Å; T124-W127 VanDerWaalsContact O-N 3.15Å; T124-Q128 HydrophobicContact CG2-CG 4.33Å; T124-Q128 WeakPolarHBondContact O-CG 3.35Å; T124-Q128 PolarHBondContact O-N 3.04Å
125D93Very high91.1Very high124 Ų12444.8 Ų44.866%0.66328%0.281SS*.Hα-helixtrans-63.5-36.4-179.8-57.5-27.8000112.4K123 Q128 S129K123-D125 VanDerWaalsContact C-N 3.26Å; K123-D125 PolarHBondContact O-N 2.85Å; D125-Q128 PolarHBondContact O-N 2.85Å; D125-S129 WeakPolarHBondContact O-CB 3.48Å; D125-S129 PolarHBondContact O-N 3.47Å
126V93.8Very high91.1Very high33 Ų3345 Ų4520%0.228%0.276CS..Hα-helixtrans-64-46174.5-179.70000109.9I85 K123 T124 Q128 S129 Y131I85-V126 HydrophobicContact CG2-CG1 3.8Å; K123-V126 HydrophobicContact CB-CB 4.5Å; K123-V126 HydrophobicContact CD-CG2 4.24Å; K123-V126 WeakPolarHBondContact O-CB 3.49Å; K123-V126 PolarHBondContact O-N 3.18Å; T124-V126 VanDerWaalsContact C-N 3.31Å; T124-V126 PolarHBondContact O-N 3.34Å; V126-Q128 VanDerWaalsContact C-N 3.33Å; V126-Q128 PolarHBondContact O-N 3.36Å; V126-S129 WeakPolarHBondContact O-CB 3.15Å; V126-S129 PolarHBondContact O-N 3.35Å; V126-S129 PolarHBondContact O-OG 3.01Å; V126-Y131 HydrophobicContact CG1-CD2 4.41Å; V126-Y131 HydrophobicContact CG1-CG 4.36Å; V126-Y131 WeakPolarHBondContact O-CB 3.34Å
127W93.3Very high91Very high3 Ų350 Ų501%0.01130%0.303CS..Iπ-helixtrans-63-40.3178.4-47.1141.9000112I85 F99 M120 K123 T124 Y131 L132 Y139 C169I85-W127 HydrophobicContact CD1-CH2 3.62Å; I85-W127 HydrophobicContact CD1-CZ3 4Å; I85-W127 HydrophobicContact CG1-CH2 4.33Å; I85-W127 HydrophobicContact CG1-CZ3 4.36Å; F99-W127 HydrophobicContact CE1-CE3 4.26Å; F99-W127 AromaticContact CE1-CH2 3.93Å; F99-W127 HydrophobicContact CE1-CH2 3.93Å; F99-W127 HydrophobicContact CE1-CZ2 4.26Å; F99-W127 AromaticContact CE1-CZ3 3.94Å; F99-W127 HydrophobicContact CE1-CZ3 3.94Å; F99-W127 HydrophobicContact CZ-CD2 4.36Å; F99-W127 AromaticContact CZ-CE3 3.78Å; F99-W127 HydrophobicContact CZ-CE3 3.78Å; F99-W127 HydrophobicContact CZ-CH2 4.14Å; F99-W127 AromaticContact CZ-CZ3 3.66Å; F99-W127 HydrophobicContact CZ-CZ3 3.66Å; M120-W127 PolarHBondContact O-NE1 3.24Å; K123-W127 HydrophobicContact CB-CD2 4.47Å; K123-W127 HydrophobicContact CB-CH2 4.33Å; K123-W127 HydrophobicContact CB-CZ2 3.53Å; K123-W127 HydrophobicContact CG-CZ2 4.32Å; K123-W127 VanDerWaalsContact O-CD1 3.29Å; K123-W127 PolarHBondContact O-N 3Å; K123-W127 VanDerWaalsContact O-N 3.17Å; K123-W127 PolarHBondContact O-NE1 3.21Å; T124-W127 PolarHBondContact O-N 3.41Å; T124-W127 VanDerWaalsContact O-N 3.15Å; W127-Y131 AromaticContact CE3-CD1 3.86Å; W127-Y131 HydrophobicContact CE3-CD1 3.86Å; W127-Y131 HydrophobicContact CE3-CE1 4.33Å; W127-Y131 HydrophobicContact CE3-CG 4.48Å; W127-Y131 AromaticContact CZ3-CD1 3.88Å; W127-Y131 HydrophobicContact CZ3-CD1 3.88Å; W127-Y131 AromaticContact CZ3-CE1 3.89Å; W127-Y131 HydrophobicContact CZ3-CE1 3.89Å; W127-L132 HydrophobicContact CB-CD1 3.95Å; W127-L132 HydrophobicContact CB-CG 4.05Å; W127-L132 WeakPolarHBondContact O-CG 3.33Å; W127-Y139 AromaticContact CD1-CE2 3.88Å; W127-Y139 HydrophobicContact CD2-CE2 4.47Å; W127-Y139 HydrophobicContact CG-CE2 4.06Å; W127-C169 HydrophobicContact CB-CB 4.07Å
128Q89.5Confident91Very high102 Ų10250.8 Ų50.848%0.47731%0.309SS..Iπ-helixtrans-73.3-24.9178.2-71.5-175.4-16.400114.2T124 D125 V126 G130 K168T124-Q128 HydrophobicContact CG2-CG 4.33Å; T124-Q128 WeakPolarHBondContact O-CG 3.35Å; T124-Q128 PolarHBondContact O-N 3.04Å; D125-Q128 PolarHBondContact O-N 2.85Å; V126-Q128 VanDerWaalsContact C-N 3.33Å; V126-Q128 PolarHBondContact O-N 3.36Å; Q128-G130 PolarHBondContact O-N 3.19Å; Q128-K168 PolarHBondContact NE2-O 3.17Å
129S87.2Confident91.1Very high84 Ų8447.2 Ų47.259%0.58729%0.29SS*.Iπ-helixtrans-61.3-2.9-178.472.90000116D125 V126D125-S129 WeakPolarHBondContact O-CB 3.48Å; D125-S129 PolarHBondContact O-N 3.47Å; V126-S129 WeakPolarHBondContact O-CB 3.15Å; V126-S129 PolarHBondContact O-N 3.35Å; V126-S129 PolarHBondContact O-OG 3.01Å
130G87.7Confident91Very high30 Ų3047.6 Ų47.631%0.30929%0.293SS..Iπ-helixtrans99.8-0.4-171.500000113.8R95 Q128 L132 V133R95-G130 PolarHBondContact NH1-O 3.2Å; Q128-G130 PolarHBondContact O-N 3.19Å; G130-L132 PolarHBondContact O-N 3.43Å; G130-V133 VanDerWaalsContact O-CB 3.31Å; G130-V133 WeakPolarHBondContact O-CB 3.37Å; G130-V133 VanDerWaalsContact O-CG2 3.3Å; G130-V133 WeakPolarHBondContact O-CG2 3.38Å; G130-V133 PolarHBondContact O-N 3.32Å
131Y90.1Very high90.8Very high5 Ų553.1 Ų53.12%0.0231%0.314CS..Iπ-helixtrans-53.2-42.1172.8-171.6-89.5000111.7I85 A88 Q89 R95 F99 V126 W127 V133 C135I85-Y131 HydrophobicContact CB-CE2 4.4Å; I85-Y131 HydrophobicContact CG2-CD2 4.35Å; I85-Y131 HydrophobicContact CG2-CE2 3.89Å; A88-Y131 HydrophobicContact CB-CE2 4.1Å; Q89-Y131 HydrophobicContact CG-CD2 4.13Å; Q89-Y131 HydrophobicContact CG-CE2 4.29Å; R95-Y131 HydrophobicContact CB-CE1 4.14Å; R95-Y131 HydrophobicContact CB-CE2 4.41Å; R95-Y131 VanDerWaalsContact CD-O 3.31Å; R95-Y131 WeakPolarHBondContact CD-O 3.26Å; R95-Y131 HydrophobicContact CG-CE2 4.4Å; R95-Y131 WeakPolarHBondContact O-CE1 3.42Å; R95-Y131 PolarHBondContact O-OH 2.85Å; F99-Y131 HydrophobicContact CE2-CD1 4.36Å; F99-Y131 AromaticContact CE2-CE1 3.97Å; F99-Y131 HydrophobicContact CE2-CE1 3.97Å; F99-Y131 HydrophobicContact CZ-CD1 4.41Å; F99-Y131 HydrophobicContact CZ-CE1 4.2Å; V126-Y131 HydrophobicContact CG1-CD2 4.41Å; V126-Y131 HydrophobicContact CG1-CG 4.36Å; V126-Y131 WeakPolarHBondContact O-CB 3.34Å; W127-Y131 AromaticContact CE3-CD1 3.86Å; W127-Y131 HydrophobicContact CE3-CD1 3.86Å; W127-Y131 HydrophobicContact CE3-CE1 4.33Å; W127-Y131 HydrophobicContact CE3-CG 4.48Å; W127-Y131 AromaticContact CZ3-CD1 3.88Å; W127-Y131 HydrophobicContact CZ3-CD1 3.88Å; W127-Y131 AromaticContact CZ3-CE1 3.89Å; W127-Y131 HydrophobicContact CZ3-CE1 3.89Å; Y131-V133 PolarHBondContact O-N 3.5Å; Y131-V133 VanDerWaalsContact O-N 3.08Å; Y131-C135 PolarHBondContact O-SG 2.94Å
132L88.6Confident90.8Very high9 Ų951.8 Ų51.85%0.04731%0.305CS..THydrogen-bonded Turntrans-66-6.3179.1-67.8-175.2000115.6F99 W127 G130 G134 C135 R136 Y139 C169F99-L132 HydrophobicContact CE2-CD2 3.77Å; F99-L132 HydrophobicContact CZ-CD2 3.62Å; W127-L132 HydrophobicContact CB-CD1 3.95Å; W127-L132 HydrophobicContact CB-CG 4.05Å; W127-L132 WeakPolarHBondContact O-CG 3.33Å; G130-L132 PolarHBondContact O-N 3.43Å; L132-G134 PolarHBondContact O-N 2.87Å; L132-C135 PolarHBondContact O-N 2.9Å; L132-R136 PolarHBondContact O-N 3.37Å; L132-R136 VanDerWaalsContact O-N 3.1Å; L132-Y139 HydrophobicContact CD1-CD1 3.83Å; L132-Y139 HydrophobicContact CD1-CD2 4.44Å; L132-Y139 HydrophobicContact CD1-CE1 3.97Å; L132-Y139 HydrophobicContact CD1-CG 4.08Å; L132-Y139 HydrophobicContact CD2-CD1 4.22Å; L132-Y139 HydrophobicContact CD2-CD2 3.84Å; L132-Y139 HydrophobicContact CD2-CG 3.63Å; L132-C169 HydrophobicContact CD1-CB 3.91Å
133V86.8Confident90.6Very high100 Ų10048.3 Ų48.361%0.60628%0.279SS*.THydrogen-bonded Turntrans-65.9119.4172.1178.20000108.8R95 G130 Y131R95-V133 PolarHBondContact NH1-O 3.31Å; G130-V133 VanDerWaalsContact O-CB 3.31Å; G130-V133 WeakPolarHBondContact O-CB 3.37Å; G130-V133 VanDerWaalsContact O-CG2 3.3Å; G130-V133 WeakPolarHBondContact O-CG2 3.38Å; G130-V133 PolarHBondContact O-N 3.32Å; Y131-V133 PolarHBondContact O-N 3.5Å; Y131-V133 VanDerWaalsContact O-N 3.08Å
134G85Confident90.3Very high88 Ų8850.3 Ų50.391%0.90729%0.292SS*.THydrogen-bonded Turntrans93-33.8-175.700000114.5L132L132-G134 PolarHBondContact O-N 2.87Å
135C91Very high90.2Very high9 Ų951.6 Ų51.66%0.06130%0.296CS..THydrogen-bonded Turntrans-111.48.4-174.163.20000115.9R95 F99 Y131 L132 N137 A138 Y139R95-C135 HydrophobicContact CB-CB 4.17Å; F99-C135 HydrophobicContact CE2-CB 4.46Å; Y131-C135 PolarHBondContact O-SG 2.94Å; L132-C135 PolarHBondContact O-N 2.9Å; C135-N137 PolarHBondContact O-N 3.41Å; C135-N137 VanDerWaalsContact O-N 3.09Å; C135-A138 WeakPolarHBondContact O-CA 3.36Å; C135-A138 WeakPolarHBondContact O-CB 3.43Å; C135-A138 PolarHBondContact O-N 3.38Å; C135-Y139 PolarHBondContact O-N 3.13Å
136R89.9Confident89.9Confident86 Ų8645.8 Ų45.833%0.32527%0.265SS..Hα-helixtrans-48-39.2178.7-171-177.4-64.8166.81.7114.4L132 A138 Y139 L140 D174L132-R136 PolarHBondContact O-N 3.37Å; L132-R136 VanDerWaalsContact O-N 3.1Å; R136-A138 VanDerWaalsContact C-N 3.3Å; R136-A138 PolarHBondContact O-N 2.89Å; R136-Y139 WeakPolarHBondContact O-CB 3.19Å; R136-Y139 PolarHBondContact O-N 3.39Å; R136-L140 HydrophobicContact CG-CD1 3.92Å; R136-L140 HydrophobicContact CG-CG 4.36Å; R136-L140 WeakPolarHBondContact O-CG 3.33Å; R136-L140 PolarHBondContact O-N 3.42Å; R136-D174 WeakPolarHBondContact CD-OD2 2.99Å; R136-D174 IonicContact CZ-OD2 2.67Å; R136-D174 IonicContact NE-OD2 2.71Å; R136-D174 IonicContact NH1-OD2 3.62Å; R136-D174 PolarHBondContact NH1-OD2 3.09Å
137N89.3Confident89.6Confident108 Ų10846.8 Ų46.858%0.57827%0.267SS*.Hα-helixtrans-66.8-29.3178-71.1-10.6000113C135 R141C135-N137 PolarHBondContact O-N 3.41Å; C135-N137 VanDerWaalsContact O-N 3.09Å; N137-R141 VanDerWaalsContact O-CG 3.32Å; N137-R141 WeakPolarHBondContact O-CG 3.18Å; N137-R141 PolarHBondContact O-N 3.35Å; N137-R141 PolarHBondContact O-NE 3.04Å
138A91.8Very high89.2Confident16 Ų1657.3 Ų57.313%0.13231%0.307CS..Hα-helixtrans-71.4-48173.400000110.4F99 C135 R136 L140 R141 T142F99-A138 HydrophobicContact CB-CB 3.87Å; F99-A138 HydrophobicContact CD2-CB 3.93Å; F99-A138 HydrophobicContact CG-CB 4.24Å; C135-A138 WeakPolarHBondContact O-CA 3.36Å; C135-A138 WeakPolarHBondContact O-CB 3.43Å; C135-A138 PolarHBondContact O-N 3.38Å; R136-A138 VanDerWaalsContact C-N 3.3Å; R136-A138 PolarHBondContact O-N 2.89Å; A138-L140 PolarHBondContact O-N 3Å; A138-R141 PolarHBondContact O-N 3.12Å; A138-R141 VanDerWaalsContact O-N 3.13Å; A138-T142 PolarHBondContact O-N 2.95Å; A138-T142 PolarHBondContact O-OG1 3.36Å
139Y93.5Very high88.9Confident0 Ų055.9 Ų55.90%030%0.302CS..Hα-helixtrans-52.3-51.6174.1179.3-108.1000112.6F99 M120 W127 L132 C135 R136 R141 T142 I143 L166 C169 V170F99-Y139 HydrophobicContact CD1-CD2 4.29Å; F99-Y139 AromaticContact CE1-CD2 3.54Å; F99-Y139 HydrophobicContact CE1-CD2 3.54Å; F99-Y139 HydrophobicContact CE1-CE2 4.41Å; F99-Y139 HydrophobicContact CE1-CG 4.4Å; F99-Y139 AromaticContact CZ-CD2 3.7Å; F99-Y139 HydrophobicContact CZ-CD2 3.7Å; F99-Y139 HydrophobicContact CZ-CG 4.31Å; M120-Y139 HydrophobicContact CE-CD2 3.79Å; M120-Y139 HydrophobicContact CE-CE2 3.54Å; W127-Y139 AromaticContact CD1-CE2 3.88Å; W127-Y139 HydrophobicContact CD2-CE2 4.47Å; W127-Y139 HydrophobicContact CG-CE2 4.06Å; L132-Y139 HydrophobicContact CD1-CD1 3.83Å; L132-Y139 HydrophobicContact CD1-CD2 4.44Å; L132-Y139 HydrophobicContact CD1-CE1 3.97Å; L132-Y139 HydrophobicContact CD1-CG 4.08Å; L132-Y139 HydrophobicContact CD2-CD1 4.22Å; L132-Y139 HydrophobicContact CD2-CD2 3.84Å; L132-Y139 HydrophobicContact CD2-CG 3.63Å; C135-Y139 PolarHBondContact O-N 3.13Å; R136-Y139 WeakPolarHBondContact O-CB 3.19Å; R136-Y139 PolarHBondContact O-N 3.39Å; Y139-R141 VanDerWaalsContact C-N 3.33Å; Y139-R141 PolarHBondContact O-N 2.98Å; Y139-T142 PolarHBondContact O-N 2.79Å; Y139-I143 HydrophobicContact CD1-CD1 3.66Å; Y139-I143 HydrophobicContact CD2-CD1 4.33Å; Y139-I143 HydrophobicContact CE1-CD1 3.21Å; Y139-I143 HydrophobicContact CE1-CG1 4.43Å; Y139-I143 HydrophobicContact CE2-CD1 3.98Å; Y139-I143 HydrophobicContact CG-CD1 4.2Å; Y139-I143 WeakPolarHBondContact O-CG1 3.38Å; Y139-I143 PolarHBondContact O-N 3.31Å; Y139-L166 PolarHBondContact OH-O 2.88Å; Y139-L166 VanDerWaalsContact OH-O 3.1Å; Y139-C169 HydrophobicContact CE1-CB 3.71Å; Y139-C169 WeakPolarHBondContact OH-CB 3.46Å; Y139-C169 PolarHBondContact OH-SG 3.42Å; Y139-V170 HydrophobicContact CD1-CG2 4.18Å; Y139-V170 HydrophobicContact CE1-CG2 3.8Å
140L91.6Very high88.4Confident21 Ų2153 Ų5311%0.1128%0.279CS..Hα-helixtrans-61.4-37.7178.2-70.2164.8000112.9R136 A138 I143 N144 V170 S176R136-L140 HydrophobicContact CG-CD1 3.92Å; R136-L140 HydrophobicContact CG-CG 4.36Å; R136-L140 WeakPolarHBondContact O-CG 3.33Å; R136-L140 PolarHBondContact O-N 3.42Å; A138-L140 PolarHBondContact O-N 3Å; L140-I143 PolarHBondContact O-N 2.77Å; L140-N144 WeakPolarHBondContact O-CB 3.36Å; L140-N144 VanDerWaalsContact O-CG 3.23Å; L140-N144 PolarHBondContact O-N 3.02Å; L140-V170 HydrophobicContact CD2-CG2 4.01Å; L140-S176 WeakPolarHBondContact CD1-OG 3.28Å
141R91Very high87.2Confident117 Ų11758.1 Ų58.144%0.44230%0.299SS..Hα-helixtrans-67.2-42.2174.8-77.6-175.8-61.7-1162.3112.1N137 A138 Y139 I143 N144 K145N137-R141 VanDerWaalsContact O-CG 3.32Å; N137-R141 WeakPolarHBondContact O-CG 3.18Å; N137-R141 PolarHBondContact O-N 3.35Å; N137-R141 PolarHBondContact O-NE 3.04Å; A138-R141 PolarHBondContact O-N 3.12Å; A138-R141 VanDerWaalsContact O-N 3.13Å; Y139-R141 VanDerWaalsContact C-N 3.33Å; Y139-R141 PolarHBondContact O-N 2.98Å; R141-I143 VanDerWaalsContact C-N 3.34Å; R141-N144 PolarHBondContact O-N 3.49Å; R141-K145 VanDerWaalsContact O-CB 3.27Å; R141-K145 WeakPolarHBondContact O-CB 3.45Å; R141-K145 PolarHBondContact O-N 3.46Å
142T91.8Very high85.7Confident2 Ų261.2 Ų61.21%0.01231%0.314CS..Hα-helixtrans-61.3-44174.7-55.20000110.7F99 L102 C103 M120 A138 Y139 K145 L146F99-T142 PolarHBondContact O-OG1 2.96Å; L102-T142 HydrophobicContact CB-CG2 4.19Å; C103-T142 PolarHBondContact SG-OG1 2.88Å; C103-T142 VanDerWaalsContact SG-OG1 3.33Å; M120-T142 HydrophobicContact CE-CG2 4.3Å; M120-T142 HydrophobicContact SD-CG2 3.78Å; A138-T142 PolarHBondContact O-N 2.95Å; A138-T142 PolarHBondContact O-OG1 3.36Å; Y139-T142 PolarHBondContact O-N 2.79Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 3.03Å; T142-L146 HydrophobicContact CG2-CD1 4.34Å; T142-L146 VanDerWaalsContact O-CG 3.31Å; T142-L146 WeakPolarHBondContact O-CG 3.29Å; T142-L146 PolarHBondContact O-N 3.05Å
143I90.8Very high84Confident10 Ų1065.8 Ų65.85%0.05135%0.347CS..Hα-helixtrans-60.6-51.8174.9-68.4174.1000111.7M120 Y139 L140 R141 K145 L146 F147 L166M120-I143 HydrophobicContact CE-CG1 4.07Å; Y139-I143 HydrophobicContact CD1-CD1 3.66Å; Y139-I143 HydrophobicContact CD2-CD1 4.33Å; Y139-I143 HydrophobicContact CE1-CD1 3.21Å; Y139-I143 HydrophobicContact CE1-CG1 4.43Å; Y139-I143 HydrophobicContact CE2-CD1 3.98Å; Y139-I143 HydrophobicContact CG-CD1 4.2Å; Y139-I143 WeakPolarHBondContact O-CG1 3.38Å; Y139-I143 PolarHBondContact O-N 3.31Å; L140-I143 PolarHBondContact O-N 2.77Å; R141-I143 VanDerWaalsContact C-N 3.34Å; I143-K145 PolarHBondContact O-N 3.34Å; I143-L146 CarbonylContact O-C 3.46Å; I143-L146 WeakPolarHBondContact O-CA 3.42Å; I143-L146 WeakPolarHBondContact O-CB 3.21Å; I143-L146 PolarHBondContact O-N 3.18Å; I143-F147 HydrophobicContact CG2-CD1 4.4Å; I143-F147 HydrophobicContact CG2-CD2 3.72Å; I143-F147 HydrophobicContact CG2-CE1 3.97Å; I143-F147 HydrophobicContact CG2-CE2 3.21Å; I143-F147 HydrophobicContact CG2-CG 4.29Å; I143-F147 HydrophobicContact CG2-CZ 3.34Å; I143-F147 WeakPolarHBondContact O-CG 3.46Å; I143-F147 PolarHBondContact O-N 3.4Å; I143-L166 HydrophobicContact CD1-CB 3.87Å; I143-L166 HydrophobicContact CD1-CD1 4.43Å; I143-L166 HydrophobicContact CD1-CD2 4.4Å; I143-L166 HydrophobicContact CD1-CG 4.46Å; I143-L166 HydrophobicContact CG1-CB 4.48Å; I143-L166 HydrophobicContact CG1-CD1 4.14Å; I143-L166 HydrophobicContact CG2-CD1 4.33Å
144N88.4Confident82.4Confident90 Ų9065.3 Ų65.348%0.48135%0.353SS..Hα-helixtrans-62.9-33.2-178.4-71.8-7.2000111.8L140 R141 F147 R148L140-N144 WeakPolarHBondContact O-CB 3.36Å; L140-N144 VanDerWaalsContact O-CG 3.23Å; L140-N144 PolarHBondContact O-N 3.02Å; R141-N144 PolarHBondContact O-N 3.49Å; N144-F147 PolarHBondContact O-N 3.09Å; N144-R148 WeakPolarHBondContact O-CG 3.4Å; N144-R148 PolarHBondContact O-N 2.98Å; N144-R148 VanDerWaalsContact O-N 3.12Å
145K89.3Confident80.9Confident47 Ų4762.1 Ų62.120%0.20432%0.318CS..Hα-helixtrans-65.6-44.4171.5-174-177.7-170.71760111.5C103 V106 D107 R141 T142 I143 F147 R148 L149C103-K145 HydrophobicContact CB-CD 4.36Å; C103-K145 PolarHBondContact O-NZ 3.47Å; V106-K145 HydrophobicContact CG1-CD 4.33Å; V106-K145 HydrophobicContact CG1-CG 4.45Å; D107-K145 WeakPolarHBondContact OD1-CE 3.44Å; D107-K145 IonicContact OD1-NZ 2.84Å; D107-K145 PolarHBondContact OD1-NZ 2.86Å; D107-K145 IonicContact OD2-NZ 2.73Å; D107-K145 PolarHBondContact OD2-NZ 2.6Å; R141-K145 VanDerWaalsContact O-CB 3.27Å; R141-K145 WeakPolarHBondContact O-CB 3.45Å; R141-K145 PolarHBondContact O-N 3.46Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 3.03Å; I143-K145 PolarHBondContact O-N 3.34Å; K145-F147 VanDerWaalsContact C-N 3.34Å; K145-F147 PolarHBondContact O-N 3.05Å; K145-R148 PolarHBondContact O-N 2.98Å; K145-L149 PolarHBondContact O-N 3.09Å
146L88.6Confident79.6Confident1 Ų167 Ų671%0.00534%0.344CS..Hα-helixtrans-62.5-41.1174.7-69.7170000111.4V106 Y113 I116 V117 M120 T142 I143 R148 L149 F150V106-L146 HydrophobicContact CG2-CD2 3.71Å; Y113-L146 HydrophobicContact CD2-CD2 3.68Å; Y113-L146 HydrophobicContact CE2-CB 3.82Å; Y113-L146 HydrophobicContact CE2-CD2 3.48Å; Y113-L146 VanDerWaalsContact CE2-CD2 3.48Å; Y113-L146 HydrophobicContact CE2-CG 4.26Å; Y113-L146 WeakPolarHBondContact CE2-O 3.41Å; Y113-L146 VanDerWaalsContact CZ-O 3.31Å; Y113-L146 PolarHBondContact OH-O 2.78Å; I116-L146 HydrophobicContact CG2-CD1 4.34Å; I116-L146 HydrophobicContact CG2-CD2 4.02Å; V117-L146 HydrophobicContact CG2-CD1 4.21Å; V117-L146 HydrophobicContact CG2-CD2 4.18Å; M120-L146 HydrophobicContact SD-CD1 3.5Å; M120-L146 WeakPolarHBondContact SD-CD1 3.35Å; T142-L146 HydrophobicContact CG2-CD1 4.34Å; T142-L146 VanDerWaalsContact O-CG 3.31Å; T142-L146 WeakPolarHBondContact O-CG 3.29Å; T142-L146 PolarHBondContact O-N 3.05Å; I143-L146 CarbonylContact O-C 3.46Å; I143-L146 WeakPolarHBondContact O-CA 3.42Å; I143-L146 WeakPolarHBondContact O-CB 3.21Å; I143-L146 PolarHBondContact O-N 3.18Å; L146-R148 VanDerWaalsContact C-N 3.27Å; L146-R148 PolarHBondContact O-N 3.11Å; L146-L149 PolarHBondContact O-N 3.29Å; L146-F150 PolarHBondContact O-N 2.83Å
147F86.4Confident78.6Confident55 Ų5568.5 Ų68.524%0.24136%0.362CS..Hα-helixtrans-66.5-26177.2-65.9-16.8000113.8I143 N144 K145 L149 F150 V162 I163 L166I143-F147 HydrophobicContact CG2-CD1 4.4Å; I143-F147 HydrophobicContact CG2-CD2 3.72Å; I143-F147 HydrophobicContact CG2-CE1 3.97Å; I143-F147 HydrophobicContact CG2-CE2 3.21Å; I143-F147 HydrophobicContact CG2-CG 4.29Å; I143-F147 HydrophobicContact CG2-CZ 3.34Å; I143-F147 WeakPolarHBondContact O-CG 3.46Å; I143-F147 PolarHBondContact O-N 3.4Å; N144-F147 PolarHBondContact O-N 3.09Å; K145-F147 VanDerWaalsContact C-N 3.34Å; K145-F147 PolarHBondContact O-N 3.05Å; F147-L149 VanDerWaalsContact C-N 3.26Å; F147-L149 PolarHBondContact O-N 3.36Å; F147-F150 AromaticContact CD1-CD2 3.85Å; F147-F150 HydrophobicContact CD1-CD2 3.85Å; F147-F150 AromaticContact CD1-CE2 3.87Å; F147-F150 HydrophobicContact CD1-CE2 3.87Å; F147-F150 HydrophobicContact CE1-CE2 4.16Å; F147-F150 PolarHBondContact O-N 3.46Å; F147-V162 HydrophobicContact CE1-CG1 4.18Å; F147-I163 HydrophobicContact CE1-CG1 3.76Å; F147-I163 HydrophobicContact CE2-CG1 3.91Å; F147-I163 HydrophobicContact CZ-CB 4.21Å; F147-I163 HydrophobicContact CZ-CG1 3.41Å; F147-I163 VanDerWaalsContact CZ-CG1 3.41Å; F147-L166 HydrophobicContact CE1-CD1 4.11Å; F147-L166 HydrophobicContact CZ-CD1 4.2Å
148R84.5Confident77.7Confident223 Ų22367.3 Ų67.384%0.84235%0.349SS*.THydrogen-bonded Turntrans-73.5-14.8171.5-73.6173179.5-167.7-2.5114.1N144 K145 L146N144-R148 WeakPolarHBondContact O-CG 3.4Å; N144-R148 PolarHBondContact O-N 2.98Å; N144-R148 VanDerWaalsContact O-N 3.12Å; K145-R148 PolarHBondContact O-N 2.98Å; L146-R148 VanDerWaalsContact C-N 3.27Å; L146-R148 PolarHBondContact O-N 3.11Å
149L83.6Confident76.9Confident73 Ų7369.2 Ų69.238%0.38236%0.356SS..THydrogen-bonded Turntrans-102.7-0.9176.9-65172.3000112.9V106 Y113 K145 L146 F147 D151V106-L149 HydrophobicContact CG1-CD1 3.17Å; Y113-L149 HydrophobicContact CD2-CB 3.79Å; Y113-L149 HydrophobicContact CD2-CD1 4.2Å; Y113-L149 HydrophobicContact CE2-CB 3.71Å; K145-L149 PolarHBondContact O-N 3.09Å; L146-L149 PolarHBondContact O-N 3.29Å; F147-L149 VanDerWaalsContact C-N 3.26Å; F147-L149 PolarHBondContact O-N 3.36Å; L149-D151 PolarHBondContact O-N 3.21Å; L149-D151 VanDerWaalsContact O-N 3.1Å
150F76.2Confident76.2Confident24 Ų2471 Ų7111%0.10537%0.374CS..  trans-72.798.2166.3-91.6-51.4000109.3Y113 L146 F147 A155 Q159 V162Y113-F150 AromaticContact CE1-CD1 3.69Å; Y113-F150 HydrophobicContact CE1-CD1 3.69Å; Y113-F150 AromaticContact CE1-CE1 3.58Å; Y113-F150 HydrophobicContact CE1-CE1 3.58Å; Y113-F150 HydrophobicContact CE1-CG 4.28Å; Y113-F150 HydrophobicContact CE1-CZ 4.08Å; Y113-F150 AromaticContact CZ-CD1 3.91Å; Y113-F150 AromaticContact CZ-CE1 3.96Å; Y113-F150 WeakPolarHBondContact OH-CD1 3.38Å; Y113-F150 WeakPolarHBondContact OH-CD2 3.33Å; Y113-F150 WeakPolarHBondContact OH-CE1 3.32Å; Y113-F150 WeakPolarHBondContact OH-CE2 3.39Å; Y113-F150 WeakPolarHBondContact OH-CG 3.11Å; Y113-F150 VanDerWaalsContact OH-CZ 3.28Å; Y113-F150 WeakPolarHBondContact OH-CZ 3.4Å; L146-F150 PolarHBondContact O-N 2.83Å; F147-F150 AromaticContact CD1-CD2 3.85Å; F147-F150 HydrophobicContact CD1-CD2 3.85Å; F147-F150 AromaticContact CD1-CE2 3.87Å; F147-F150 HydrophobicContact CD1-CE2 3.87Å; F147-F150 HydrophobicContact CE1-CE2 4.16Å; F147-F150 PolarHBondContact O-N 3.46Å; F150-A155 HydrophobicContact CD1-CB 4.02Å; F150-A155 HydrophobicContact CE1-CB 4.44Å; F150-Q159 HydrophobicContact CD2-CB 4.42Å; F150-Q159 HydrophobicContact CD2-CG 3.83Å; F150-Q159 HydrophobicContact CE2-CB 4.32Å; F150-Q159 HydrophobicContact CE2-CG 4.01Å; F150-Q159 HydrophobicContact CG-CG 4.34Å; F150-Q159 HydrophobicContact CZ-CB 4.46Å; F150-V162 HydrophobicContact CE2-CB 4.37Å; F150-V162 HydrophobicContact CE2-CG1 4.04Å; F150-V162 HydrophobicContact CZ-CB 4.15Å; F150-V162 HydrophobicContact CZ-CG1 4.07Å; F150-V162 HydrophobicContact CZ-CG2 4.26Å
151D64.2Low75.8Confident136 Ų13675.8 Ų75.873%0.72740%0.395SS*.  trans-63135.3168.6-90.6-31.2000111.4L149 S153L149-D151 PolarHBondContact O-N 3.21Å; L149-D151 VanDerWaalsContact O-N 3.1Å; D151-S153 PolarHBondContact O-N 3.29Å
152E57.9Low75.4Confident71 Ų7170.5 Ų70.533%0.33238%0.376SS..THydrogen-bonded Turntrans-70-5.6-166.5-55.4175.3138.100115.3N188 K190E152-N188 PolarHBondContact OE1-ND2 3.16Å; E152-N188 PolarHBondContact OE1-OD1 3.31Å; E152-K190 VanDerWaalsContact OE2-CE 3.25Å; E152-K190 WeakPolarHBondContact OE2-CE 3.27Å; E152-K190 IonicContact OE2-NZ 3.5Å; E152-K190 PolarHBondContact OE2-NZ 2.94Å
153S51.9Low75Confident105 Ų10573.4 Ų73.473%0.73439%0.391SS*.THydrogen-bonded Turntrans-88.7-13.9-156.865.40000116.1D151D151-S153 PolarHBondContact O-N 3.29Å
154A53.8Low74.7Confident89 Ų8979 Ų7974%0.73642%0.415SS*.THydrogen-bonded Turntrans-154.6-4.4179.100000115.4
155A54.7Low74.6Confident22 Ų2276.1 Ų76.118%0.18240%0.402CS..  trans-90.9-9.8-159.800000116F150 V157 R158 Q159F150-A155 HydrophobicContact CD1-CB 4.02Å; F150-A155 HydrophobicContact CE1-CB 4.44Å; A155-V157 VanDerWaalsContact C-N 3.3Å; A155-V157 PolarHBondContact O-N 3.18Å; A155-R158 PolarHBondContact O-N 2.86Å; A155-Q159 WeakPolarHBondContact O-CB 3.43Å; A155-Q159 PolarHBondContact O-N 3.22Å
156N63.3Low74.3Confident112 Ų11274 Ų7460%0.59939%0.393SS*.Hα-helixtrans-52.5-37.3-160.5-60.36.4000115.5G160N156-G160 PolarHBondContact O-N 3.27Å; N156-G160 VanDerWaalsContact O-N 3.1Å
157V67.7Low74Confident116 Ų11676.1 Ų76.170%0.70341%0.406SS*.Hα-helixtrans-68-52176.3-179.70000111.1A155 Q159 G160 E161A155-V157 VanDerWaalsContact C-N 3.3Å; A155-V157 PolarHBondContact O-N 3.18Å; V157-Q159 VanDerWaalsContact C-N 3.31Å; V157-Q159 PolarHBondContact O-N 3.49Å; V157-G160 PolarHBondContact O-N 3.03Å; V157-G160 VanDerWaalsContact O-N 3.12Å; V157-E161 PolarHBondContact O-N 2.95Å
158R70.3Confident74Confident83 Ų8378.6 Ų78.631%0.31342%0.417SS..Hα-helixtrans-65.3-35.8179.4-165.7-178.9-174.8-174.8-4.7111.6D114 N118 A155 G160 E161 V162D114-R158 IonicContact OD1-CZ 2.68Å; D114-R158 IonicContact OD1-NH1 2.7Å; D114-R158 PolarHBondContact OD1-NH1 2.84Å; D114-R158 IonicContact OD1-NH2 3.33Å; D114-R158 IonicContact OD2-CZ 3.53Å; D114-R158 IonicContact OD2-NH1 3.21Å; D114-R158 PolarHBondContact OD2-NH1 3.4Å; D114-R158 IonicContact OD2-NH2 3.66Å; D114-R158 PolarHBondContact OD2-NH2 3.24Å; N118-R158 PolarHBondContact ND2-NH2 2.63Å; N118-R158 PolarHBondContact OD1-NH2 3.23Å; A155-R158 PolarHBondContact O-N 2.86Å; R158-G160 VanDerWaalsContact C-N 3.33Å; R158-G160 PolarHBondContact O-N 3.27Å; R158-E161 PolarHBondContact O-N 3.49Å; R158-V162 HydrophobicContact CG-CG2 4.34Å; R158-V162 VanDerWaalsContact O-CB 3.3Å; R158-V162 WeakPolarHBondContact O-CB 3.3Å; R158-V162 WeakPolarHBondContact O-CG2 3.44Å; R158-V162 PolarHBondContact O-N 3.17Å
159Q75.6Confident74.1Confident57 Ų5768.5 Ų68.527%0.26638%0.381SS..Hα-helixtrans-59.2-45172.3-173-172.816.500110.7F150 A155 V157 V162 I163F150-Q159 HydrophobicContact CD2-CB 4.42Å; F150-Q159 HydrophobicContact CD2-CG 3.83Å; F150-Q159 HydrophobicContact CE2-CB 4.32Å; F150-Q159 HydrophobicContact CE2-CG 4.01Å; F150-Q159 HydrophobicContact CG-CG 4.34Å; F150-Q159 HydrophobicContact CZ-CB 4.46Å; A155-Q159 WeakPolarHBondContact O-CB 3.43Å; A155-Q159 PolarHBondContact O-N 3.22Å; V157-Q159 VanDerWaalsContact C-N 3.31Å; V157-Q159 PolarHBondContact O-N 3.49Å; Q159-V162 PolarHBondContact O-N 2.93Å; Q159-I163 HydrophobicContact CG-CD1 3.81Å; Q159-I163 HydrophobicContact CG-CG1 4.43Å; Q159-I163 WeakPolarHBondContact O-CB 3.41Å; Q159-I163 WeakPolarHBondContact O-CG1 3.2Å; Q159-I163 PolarHBondContact O-N 3.23Å
160G79.3Confident74Confident37 Ų3765.5 Ų65.538%0.38137%0.365SS..Hα-helixtrans-59.5-46.7173.900000113.1N156 V157 R158 V162 F164N156-G160 PolarHBondContact O-N 3.27Å; N156-G160 VanDerWaalsContact O-N 3.1Å; V157-G160 PolarHBondContact O-N 3.03Å; V157-G160 VanDerWaalsContact O-N 3.12Å; R158-G160 VanDerWaalsContact C-N 3.33Å; R158-G160 PolarHBondContact O-N 3.27Å; G160-V162 PolarHBondContact O-N 3.48Å; G160-F164 VanDerWaalsContact O-CB 3.23Å; G160-F164 WeakPolarHBondContact O-CB 3.41Å; G160-F164 PolarHBondContact O-N 2.86Å
161E81.8Confident74Confident121 Ų12167 Ų6757%0.56538%0.377SS*.Hα-helixtrans-62.5-39.9176.9-68.1177.4160.500112.8V157 R158 S165V157-E161 PolarHBondContact O-N 2.95Å; R158-E161 PolarHBondContact O-N 3.49Å; E161-S165 VanDerWaalsContact O-CB 3.29Å; E161-S165 WeakPolarHBondContact O-CB 3.38Å; E161-S165 PolarHBondContact O-N 3.47Å; E161-S165 PolarHBondContact O-OG 3.07Å
162V83.6Confident74.2Confident7 Ų767.9 Ų67.94%0.04238%0.375CS..Hα-helixtrans-72.6-45.3179.7169.10000111V117 F147 F150 R158 Q159 G160 F164 S165 L166V117-V162 HydrophobicContact CG1-CB 4.12Å; V117-V162 HydrophobicContact CG1-CG1 3.52Å; V117-V162 HydrophobicContact CG1-CG2 3.38Å; F147-V162 HydrophobicContact CE1-CG1 4.18Å; F150-V162 HydrophobicContact CE2-CB 4.37Å; F150-V162 HydrophobicContact CE2-CG1 4.04Å; F150-V162 HydrophobicContact CZ-CB 4.15Å; F150-V162 HydrophobicContact CZ-CG1 4.07Å; F150-V162 HydrophobicContact CZ-CG2 4.26Å; R158-V162 HydrophobicContact CG-CG2 4.34Å; R158-V162 VanDerWaalsContact O-CB 3.3Å; R158-V162 WeakPolarHBondContact O-CB 3.3Å; R158-V162 WeakPolarHBondContact O-CG2 3.44Å; R158-V162 PolarHBondContact O-N 3.17Å; Q159-V162 PolarHBondContact O-N 2.93Å; G160-V162 PolarHBondContact O-N 3.48Å; V162-F164 VanDerWaalsContact C-N 3.32Å; V162-F164 PolarHBondContact O-N 3.03Å; V162-S165 PolarHBondContact O-N 3.41Å; V162-L166 HydrophobicContact CG1-CD1 3.55Å; V162-L166 HydrophobicContact CG1-CG 4.34Å; V162-L166 WeakPolarHBondContact O-CB 3.29Å; V162-L166 VanDerWaalsContact O-CG 3.25Å; V162-L166 WeakPolarHBondContact O-CG 3.35Å; V162-L166 PolarHBondContact O-N 3.25Å
163I84.2Confident74.8Confident62 Ų6269.1 Ų69.132%0.31839%0.387SS..Hα-helixtrans-55.8-49.5171-70.9166.1000109.6F147 Q159 S165 L166 T167F147-I163 HydrophobicContact CE1-CG1 3.76Å; F147-I163 HydrophobicContact CE2-CG1 3.91Å; F147-I163 HydrophobicContact CZ-CB 4.21Å; F147-I163 HydrophobicContact CZ-CG1 3.41Å; F147-I163 VanDerWaalsContact CZ-CG1 3.41Å; Q159-I163 HydrophobicContact CG-CD1 3.81Å; Q159-I163 HydrophobicContact CG-CG1 4.43Å; Q159-I163 WeakPolarHBondContact O-CB 3.41Å; Q159-I163 WeakPolarHBondContact O-CG1 3.2Å; Q159-I163 PolarHBondContact O-N 3.23Å; I163-S165 VanDerWaalsContact C-N 3.34Å; I163-S165 PolarHBondContact O-N 2.99Å; I163-L166 PolarHBondContact O-N 3.03Å; I163-T167 HydrophobicContact CG2-CG2 4.14Å; I163-T167 WeakPolarHBondContact O-CB 3.24Å; I163-T167 VanDerWaalsContact O-CG2 3.27Å; I163-T167 WeakPolarHBondContact O-CG2 3.23Å; I163-T167 PolarHBondContact O-N 3.44Å; I163-T167 PolarHBondContact O-OG1 3.18Å
164F84.4Confident75.8Confident128 Ų12865.8 Ų65.856%0.56136%0.361SS*.Hα-helixtrans-63-38.1180-175.1-111.9000112.7G160 V162 T167 K168G160-F164 VanDerWaalsContact O-CB 3.23Å; G160-F164 WeakPolarHBondContact O-CB 3.41Å; G160-F164 PolarHBondContact O-N 2.86Å; V162-F164 VanDerWaalsContact C-N 3.32Å; V162-F164 PolarHBondContact O-N 3.03Å; F164-T167 WeakPolarHBondContact CA-OG1 3.42Å; F164-T167 PolarHBondContact O-OG1 3.15Å; F164-K168 WeakPolarHBondContact O-CG 3.4Å; F164-K168 PolarHBondContact O-N 3.37Å
165S84.8Confident76.8Confident30 Ų3069.7 Ų69.721%0.2136%0.362CS..Hα-helixtrans-70.7-43.3178.8-61.20000112.2E161 V162 I163 K168E161-S165 VanDerWaalsContact O-CB 3.29Å; E161-S165 WeakPolarHBondContact O-CB 3.38Å; E161-S165 PolarHBondContact O-N 3.47Å; E161-S165 PolarHBondContact O-OG 3.07Å; V162-S165 PolarHBondContact O-N 3.41Å; I163-S165 VanDerWaalsContact C-N 3.34Å; I163-S165 PolarHBondContact O-N 2.99Å; S165-K168 WeakPolarHBondContact O-CB 3.33Å
166L83.4Confident77.7Confident2 Ų271.5 Ų71.51%0.0137%0.373CS..Hα-helixtrans-74.3-36.8-179.5-64.4168.6000112.2M120 Y139 I143 F147 V162 I163 K168 C169M120-L166 HydrophobicContact CB-CD2 3.97Å; M120-L166 HydrophobicContact CE-CD2 4.21Å; Y139-L166 PolarHBondContact OH-O 2.88Å; Y139-L166 VanDerWaalsContact OH-O 3.1Å; I143-L166 HydrophobicContact CD1-CB 3.87Å; I143-L166 HydrophobicContact CD1-CD1 4.43Å; I143-L166 HydrophobicContact CD1-CD2 4.4Å; I143-L166 HydrophobicContact CD1-CG 4.46Å; I143-L166 HydrophobicContact CG1-CB 4.48Å; I143-L166 HydrophobicContact CG1-CD1 4.14Å; I143-L166 HydrophobicContact CG2-CD1 4.33Å; F147-L166 HydrophobicContact CE1-CD1 4.11Å; F147-L166 HydrophobicContact CZ-CD1 4.2Å; V162-L166 HydrophobicContact CG1-CD1 3.55Å; V162-L166 HydrophobicContact CG1-CG 4.34Å; V162-L166 WeakPolarHBondContact O-CB 3.29Å; V162-L166 VanDerWaalsContact O-CG 3.25Å; V162-L166 WeakPolarHBondContact O-CG 3.35Å; V162-L166 PolarHBondContact O-N 3.25Å; I163-L166 PolarHBondContact O-N 3.03Å; L166-K168 PolarHBondContact O-N 3.38Å; L166-C169 WeakPolarHBondContact O-CB 3.31Å; L166-C169 PolarHBondContact O-N 2.97Å
167T82.4Confident77.8Confident45 Ų4567.5 Ų67.528%0.27636%0.355SS..Hα-helixtrans-63.6-26.4175.850.20000113.2I163 F164 C169 V170I163-T167 HydrophobicContact CG2-CG2 4.14Å; I163-T167 WeakPolarHBondContact O-CB 3.24Å; I163-T167 VanDerWaalsContact O-CG2 3.27Å; I163-T167 WeakPolarHBondContact O-CG2 3.23Å; I163-T167 PolarHBondContact O-N 3.44Å; I163-T167 PolarHBondContact O-OG1 3.18Å; F164-T167 WeakPolarHBondContact CA-OG1 3.42Å; F164-T167 PolarHBondContact O-OG1 3.15Å; T167-C169 PolarHBondContact O-N 3.41Å; T167-V170 PolarHBondContact O-N 2.93Å
168K86.3Confident77.7Confident107 Ų10765.9 Ų65.947%0.46534%0.343SS..THydrogen-bonded Turntrans-58-19.7170.5-70.5167-173.4173.80114.1Q128 F164 S165 L166Q128-K168 PolarHBondContact NE2-O 3.17Å; F164-K168 WeakPolarHBondContact O-CG 3.4Å; F164-K168 PolarHBondContact O-N 3.37Å; S165-K168 WeakPolarHBondContact O-CB 3.33Å; L166-K168 PolarHBondContact O-N 3.38Å
169C86.2Confident77.5Confident12 Ų1267 Ų678%0.08136%0.355CS..THydrogen-bonded Turntrans-86.6-11.3177.8-57.10000113W127 L132 Y139 L166 T167W127-C169 HydrophobicContact CB-CB 4.07Å; L132-C169 HydrophobicContact CD1-CB 3.91Å; Y139-C169 HydrophobicContact CE1-CB 3.71Å; Y139-C169 WeakPolarHBondContact OH-CB 3.46Å; Y139-C169 PolarHBondContact OH-SG 3.42Å; L166-C169 WeakPolarHBondContact O-CB 3.31Å; L166-C169 PolarHBondContact O-N 2.97Å; T167-C169 PolarHBondContact O-N 3.41Å
170V82.2Confident76.5Confident9 Ų969.6 Ų69.66%0.05537%0.369CS..SBendtrans-115.5121-178.7-164.90000108.6Y139 L140 T167 F172 D174 A177Y139-V170 HydrophobicContact CD1-CG2 4.18Å; Y139-V170 HydrophobicContact CE1-CG2 3.8Å; L140-V170 HydrophobicContact CD2-CG2 4.01Å; T167-V170 PolarHBondContact O-N 2.93Å; V170-F172 PolarHBondContact O-N 3.41Å; V170-D174 HydrophobicContact CG1-CB 3.88Å; V170-A177 HydrophobicContact CB-CB 4.24Å; V170-A177 HydrophobicContact CG1-CB 3.84Å
171P77Confident75.2Confident55 Ų5573.7 Ų73.736%0.35739%0.389SS..  trans-64.5136.7-179.927.5-34.2000110T173 D174P171-T173 PolarHBondContact O-N 3.21Å; P171-D174 WeakPolarHBondContact O-CB 3.03Å; P171-D174 PolarHBondContact O-N 2.85Å
172F68.3Low73.4Confident155 Ų15569.6 Ų69.668%0.6838%0.379SS*.THydrogen-bonded Turntrans-54.5-16178-69.7-72.9000114.6V170 D174 L178V170-F172 PolarHBondContact O-N 3.41Å; F172-D174 PolarHBondContact O-N 2.92Å; F172-L178 WeakPolarHBondContact O-CD1 3.45Å
173T70.3Confident71.6Confident97 Ų9772.1 Ų72.160%0.59540%0.401SS*.THydrogen-bonded Turntrans-73.1-12.9172.659.10000114P171 Y481P171-T173 PolarHBondContact O-N 3.21Å; T173-Y481 HydrophobicContact CG2-CE1 4.43Å
174D71.8Confident70Confident35 Ų3578 Ų7819%0.18742%0.424CS..SBendtrans-78.4135.5177.4-154.2-30000110.9R136 V170 P171 F172 S176 A177R136-D174 WeakPolarHBondContact CD-OD2 2.99Å; R136-D174 IonicContact CZ-OD2 2.67Å; R136-D174 IonicContact NE-OD2 2.71Å; R136-D174 IonicContact NH1-OD2 3.62Å; R136-D174 PolarHBondContact NH1-OD2 3.09Å; V170-D174 HydrophobicContact CG1-CB 3.88Å; P171-D174 WeakPolarHBondContact O-CB 3.03Å; P171-D174 PolarHBondContact O-N 2.85Å; F172-D174 PolarHBondContact O-N 2.92Å; D174-S176 VanDerWaalsContact CG-OG 3.23Å; D174-S176 PolarHBondContact O-N 3.38Å; D174-S176 PolarHBondContact OD1-N 3.01Å; D174-S176 PolarHBondContact OD1-OG 2.65Å; D174-A177 HydrophobicContact CB-CB 4.34Å; D174-A177 PolarHBondContact O-N 3.39Å; D174-A177 VanDerWaalsContact O-N 3.13Å
175K75.7Confident68.4Low171 Ų17177.3 Ų77.374%0.74343%0.427SS*.THydrogen-bonded Turntrans-65.5-21.5178.3-66.3-175.6179-177.20112.5I180K175-I180 HydrophobicContact CB-CD1 4.3Å; K175-I180 HydrophobicContact CG-CD1 4.25Å
176S73.1Confident66.7Low60 Ų6079.3 Ų79.342%0.4244%0.437SS..THydrogen-bonded Turntrans-82.2-19.2175.958.70000114L140 D174 L178L140-S176 WeakPolarHBondContact CD1-OG 3.28Å; D174-S176 VanDerWaalsContact CG-OG 3.23Å; D174-S176 PolarHBondContact O-N 3.38Å; D174-S176 PolarHBondContact OD1-N 3.01Å; D174-S176 PolarHBondContact OD1-OG 2.65Å; S176-L178 VanDerWaalsContact C-N 3.33Å
177A66.1Low65.2Low28 Ų2883.1 Ų83.123%0.23146%0.464CS..THydrogen-bonded Turntrans-82.4-15.9176.200000112.6V170 D174V170-A177 HydrophobicContact CB-CB 4.24Å; V170-A177 HydrophobicContact CG1-CB 3.84Å; D174-A177 HydrophobicContact CB-CB 4.34Å; D174-A177 PolarHBondContact O-N 3.39Å; D174-A177 VanDerWaalsContact O-N 3.13Å
178L64.7Low63.6Low83 Ų8384.8 Ų84.844%0.43547%0.472SS..SBendtrans-115.1127.9-179.2-65.1175.5000109F172 S176 I180F172-L178 WeakPolarHBondContact O-CD1 3.45Å; S176-L178 VanDerWaalsContact C-N 3.33Å; L178-I180 HydrophobicContact CB-CD1 4.02Å; L178-I180 HydrophobicContact CB-CG1 3.5Å; L178-I180 VanDerWaalsContact CB-CG1 3.5Å; L178-I180 HydrophobicContact CD1-CD1 4.31Å; L178-I180 HydrophobicContact CD1-CG1 4.38Å; L178-I180 PolarHBondContact O-N 2.97Å
179N65.8Low61.6Low107 Ų10784.2 Ų84.257%0.57248%0.48SS*.  trans-75.472.3168.2-173.922000109.8G182N179-G182 PolarHBondContact ND2-O 3.49Å; N179-G182 WeakPolarHBondContact OD1-CA 3.46Å; N179-G182 PolarHBondContact OD1-N 3.42Å
180I54.9Low59.7Low111 Ų11191 Ų9157%0.56951%0.508SS*.SBendtrans-67.6-34.2-171.5-58.2175.2000112.7K175 L178K175-I180 HydrophobicContact CB-CD1 4.3Å; K175-I180 HydrophobicContact CG-CD1 4.25Å; L178-I180 HydrophobicContact CB-CD1 4.02Å; L178-I180 HydrophobicContact CB-CG1 3.5Å; L178-I180 VanDerWaalsContact CB-CG1 3.5Å; L178-I180 HydrophobicContact CD1-CD1 4.31Å; L178-I180 HydrophobicContact CD1-CG1 4.38Å; L178-I180 PolarHBondContact O-N 2.97Å
181P52.4Low58Low123 Ų12395.9 Ų95.980%0.79953%0.533SS*.SBendtrans-122.1-8.7178.828.6-9.5000116.1
182G44Very low56.4Low34 Ų3496.8 Ų96.835%0.35154%0.541SS..PPolyproline II helixtrans-78.4129.9-168.700000112.9N179N179-G182 PolarHBondContact ND2-O 3.49Å; N179-G182 WeakPolarHBondContact OD1-CA 3.46Å; N179-G182 PolarHBondContact OD1-N 3.42Å
183A46Very low55.6Low61 Ų6197 Ų9750%0.50454%0.538SS..PPolyproline II helixtrans-48.5141163.600000110.3N185A183-N185 PolarHBondContact O-N 2.9Å
184F50.4Low54.8Low185 Ų18599.4 Ų99.481%0.81155%0.547SS*.PPolyproline II helixtrans-61.3134.6163.5-77.7-90.3000107.6T186F184-T186 PolarHBondContact O-N 3.14Å
185N50.2Low54Low114 Ų114100.3 Ų100.361%0.6156%0.556SS**  trans-71.988.8-173.1-155.137.7000110.3A183 S187 N188A183-N185 PolarHBondContact O-N 2.9Å; N185-S187 VanDerWaalsContact CG-OG 3.27Å; N185-S187 PolarHBondContact ND2-OG 3.42Å; N185-S187 PolarHBondContact O-N 3.22Å; N185-S187 PolarHBondContact OD1-OG 3.39Å; N185-N188 PolarHBondContact ND2-OD1 3.31Å; N185-N188 PolarHBondContact O-N 3.05Å
186T50.1Low53.1Low71 Ų7197.1 Ų97.144%0.43655%0.553SS.*G310 helixtrans-68.8-18-177.1600000112.7F184 N188 C189 E262F184-T186 PolarHBondContact O-N 3.14Å; T186-N188 PolarHBondContact O-N 3.41Å; T186-C189 VanDerWaalsContact O-CB 3.25Å; T186-C189 WeakPolarHBondContact O-CB 3.15Å; T186-C189 PolarHBondContact O-N 3.13Å; T186-E262 WeakPolarHBondContact CB-OE1 3.31Å; T186-E262 PolarHBondContact OG1-OE1 3.38Å
187S51.2Low52.1Low82 Ų8299.9 Ų99.957%0.57356%0.562SS**G310 helixtrans-56.1-21.2171.565.40000114N185 C189N185-S187 VanDerWaalsContact CG-OG 3.27Å; N185-S187 PolarHBondContact ND2-OG 3.42Å; N185-S187 PolarHBondContact O-N 3.22Å; N185-S187 PolarHBondContact OD1-OG 3.39Å; S187-C189 PolarHBondContact O-N 3.33Å
188N49.1Very low51.8Low80 Ų80100.5 Ų100.543%0.42856%0.563SS.*G310 helixtrans-79.3-1.3176.8-67.649.8000112.5E152 N185 T186 K190E152-N188 PolarHBondContact OE1-ND2 3.16Å; E152-N188 PolarHBondContact OE1-OD1 3.31Å; N185-N188 PolarHBondContact ND2-OD1 3.31Å; N185-N188 PolarHBondContact O-N 3.05Å; T186-N188 PolarHBondContact O-N 3.41Å; N188-K190 VanDerWaalsContact C-N 3.26Å; N188-K190 PolarHBondContact O-N 2.93Å
189C43.4Very low51.8Low95 Ų95104 Ų10464%0.64258%0.577SS**  trans-75.479169.6-160.10000110.2T186 S187 I191T186-C189 VanDerWaalsContact O-CB 3.25Å; T186-C189 WeakPolarHBondContact O-CB 3.15Å; T186-C189 PolarHBondContact O-N 3.13Å; S187-C189 PolarHBondContact O-N 3.33Å; C189-I191 VanDerWaalsContact C-N 3.27Å; C189-I191 PolarHBondContact O-N 3.36Å
190K46.7Very low51.6Low155 Ų155104.6 Ų104.667%0.67458%0.576SS**  trans-70.187.2166.5-82.4174.7169.8154.70109.8E152 N188 S192E152-K190 VanDerWaalsContact OE2-CE 3.25Å; E152-K190 WeakPolarHBondContact OE2-CE 3.27Å; E152-K190 IonicContact OE2-NZ 3.5Å; E152-K190 PolarHBondContact OE2-NZ 2.94Å; N188-K190 VanDerWaalsContact C-N 3.26Å; N188-K190 PolarHBondContact O-N 2.93Å; K190-S192 PolarHBondContact O-N 3.04Å
191I46Very low51.6Low112 Ų112102.8 Ų102.857%0.57457%0.568SS**  trans-61.7104.6157.4-59.2172.9000105.9C189 Y193C189-I191 VanDerWaalsContact C-N 3.27Å; C189-I191 PolarHBondContact O-N 3.36Å; I191-Y193 HydrophobicContact CG2-CE1 4.42Å; I191-Y193 WeakPolarHBondContact O-CD2 2.98Å; I191-Y193 PolarHBondContact O-N 3.47Å
192S44.1Very low52.3Low74 Ų74100.2 Ų100.252%0.51755%0.55SS..  trans-71.4114.2168166.80000106.9K190 D194K190-S192 PolarHBondContact O-N 3.04Å; S192-D194 PolarHBondContact O-N 3.06Å; S192-D194 PolarHBondContact OG-OD2 3.25Å
193Y51.8Low53.5Low158 Ų158101.6 Ų101.662%0.6255%0.554SS**SBendtrans-70.6-10.8177.8-68-84.4000112.2I191 S195 T198I191-Y193 HydrophobicContact CG2-CE1 4.42Å; I191-Y193 WeakPolarHBondContact O-CD2 2.98Å; I191-Y193 PolarHBondContact O-N 3.47Å; Y193-S195 PolarHBondContact O-N 2.91Å; Y193-T198 HydrophobicContact CD1-CG2 4.13Å; Y193-T198 WeakPolarHBondContact O-CB 3.41Å; Y193-T198 PolarHBondContact O-OG1 2.9Å
194D52.8Low54.1Low148 Ų148103.1 Ų103.179%0.79155%0.553SS**  trans-72.624.1-178.9-41.8-57.8000114.5S192S192-D194 PolarHBondContact O-N 3.06Å; S192-D194 PolarHBondContact OG-OD2 3.25Å
195S55Low54.6Low54 Ų54101.5 Ų101.538%0.37855%0.55SS.*  trans-79.5134.1167.5-179.60000109.4Y193 L197 T198Y193-S195 PolarHBondContact O-N 2.91Å; S195-L197 PolarHBondContact O-N 2.97Å; S195-L197 WeakPolarHBondContact OG-CB 3.12Å; S195-L197 PolarHBondContact OG-N 3.05Å; S195-T198 WeakPolarHBondContact O-CB 3.38Å; S195-T198 PolarHBondContact O-N 3.21Å; S195-T198 PolarHBondContact O-OG1 3.41Å
196P58.3Low55.3Low104 Ų104102.2 Ų102.268%0.67555%0.554SS**Hα-helixtrans-55.1-23.2170.3-25.834.7000113.3T198 H200P196-T198 VanDerWaalsContact C-N 3.33Å; P196-H200 WeakPolarHBondContact O-CB 3.12Å; P196-H200 PolarHBondContact O-N 3.11Å; P196-H200 VanDerWaalsContact O-N 3.14Å
197L52.2Low55.3Low118 Ų118105.1 Ų105.162%0.61856%0.563SS**Hα-helixtrans-65.3-35.7173.5-145.287.6000112.1S195 H200 L201S195-L197 PolarHBondContact O-N 2.97Å; S195-L197 WeakPolarHBondContact OG-CB 3.12Å; S195-L197 PolarHBondContact OG-N 3.05Å; L197-H200 PolarHBondContact O-N 2.88Å; L197-L201 HydrophobicContact CD2-CD1 4.21Å; L197-L201 HydrophobicContact CG-CD1 4.33Å; L197-L201 WeakPolarHBondContact O-CB 3.43Å; L197-L201 VanDerWaalsContact O-CG 3.24Å; L197-L201 WeakPolarHBondContact O-CG 3.42Å; L197-L201 PolarHBondContact O-N 3.31Å
198T59.6Low54.7Low41 Ų41109 Ų10925%0.25257%0.572SS.*Hα-helixtrans-70.6-43.7-180-370000111.2Y193 S195 P196 H200 L201 T202Y193-T198 HydrophobicContact CD1-CG2 4.13Å; Y193-T198 WeakPolarHBondContact O-CB 3.41Å; Y193-T198 PolarHBondContact O-OG1 2.9Å; S195-T198 WeakPolarHBondContact O-CB 3.38Å; S195-T198 PolarHBondContact O-N 3.21Å; S195-T198 PolarHBondContact O-OG1 3.41Å; P196-T198 VanDerWaalsContact C-N 3.33Å; T198-H200 VanDerWaalsContact C-N 3.33Å; T198-H200 PolarHBondContact O-N 2.7Å; T198-L201 PolarHBondContact O-N 2.93Å; T198-T202 VanDerWaalsContact O-CB 3.25Å; T198-T202 WeakPolarHBondContact O-CB 3.39Å; T198-T202 PolarHBondContact O-N 3.31Å; T198-T202 PolarHBondContact O-OG1 3.26Å
199E63.1Low54.3Low156 Ų156110.2 Ų110.273%0.72958%0.581SS**Hα-helixtrans-60.2-44.8173.7-79.4-174.2144.500110.7T202 S203E199-T202 PolarHBondContact O-N 2.78Å; E199-S203 WeakPolarHBondContact O-CB 3.33Å; E199-S203 PolarHBondContact O-N 3Å
200H63.1Low53.9Low120 Ų120114.5 Ų114.556%0.55659%0.59SS**Hα-helixtrans-65.4-43.6179.7-166.857.7000112.6P196 L197 T198 S203 L204P196-H200 WeakPolarHBondContact O-CB 3.12Å; P196-H200 PolarHBondContact O-N 3.11Å; P196-H200 VanDerWaalsContact O-N 3.14Å; L197-H200 PolarHBondContact O-N 2.88Å; T198-H200 VanDerWaalsContact C-N 3.33Å; T198-H200 PolarHBondContact O-N 2.7Å; H200-S203 WeakPolarHBondContact O-CB 3.44Å; H200-S203 PolarHBondContact O-N 3.46Å; H200-L204 WeakPolarHBondContact O-CG 3.22Å; H200-L204 PolarHBondContact O-N 3.42Å
201L54.5Low53.4Low74 Ų74114.3 Ų114.339%0.38760%0.595SS.*Hα-helixtrans-67.1-37.9175.5-71.9168.6000112.2L197 T198 S203 L204 M205L197-L201 HydrophobicContact CD2-CD1 4.21Å; L197-L201 HydrophobicContact CG-CD1 4.33Å; L197-L201 WeakPolarHBondContact O-CB 3.43Å; L197-L201 VanDerWaalsContact O-CG 3.24Å; L197-L201 WeakPolarHBondContact O-CG 3.42Å; L197-L201 PolarHBondContact O-N 3.31Å; T198-L201 PolarHBondContact O-N 2.93Å; L201-S203 VanDerWaalsContact C-N 3.33Å; L201-L204 PolarHBondContact O-N 2.88Å; L201-M205 WeakPolarHBondContact O-CB 3.31Å; L201-M205 WeakPolarHBondContact O-CG 3.24Å; L201-M205 PolarHBondContact O-N 3.33Å
202T66Low53Low68 Ų68113.8 Ų113.842%0.41760%0.599SS.*Hα-helixtrans-66.5-37175-540000111T198 E199 M205 N206T198-T202 VanDerWaalsContact O-CB 3.25Å; T198-T202 WeakPolarHBondContact O-CB 3.39Å; T198-T202 PolarHBondContact O-N 3.31Å; T198-T202 PolarHBondContact O-OG1 3.26Å; E199-T202 PolarHBondContact O-N 2.78Å; T202-M205 PolarHBondContact O-N 2.62Å; T202-N206 WeakPolarHBondContact O-CB 3.26Å; T202-N206 PolarHBondContact O-N 2.94Å; T202-N206 PolarHBondContact O-ND2 3.32Å
203S70.8Confident52.8Low63 Ų63118.2 Ų118.244%0.44162%0.617SS.*Hα-helixtrans-61.8-47.2171.5-167.10000111.5E199 H200 L201 M205 N206 E207E199-S203 WeakPolarHBondContact O-CB 3.33Å; E199-S203 PolarHBondContact O-N 3Å; H200-S203 WeakPolarHBondContact O-CB 3.44Å; H200-S203 PolarHBondContact O-N 3.46Å; L201-S203 VanDerWaalsContact C-N 3.33Å; S203-M205 PolarHBondContact O-N 3.2Å; S203-N206 PolarHBondContact O-N 3.29Å; S203-E207 PolarHBondContact O-N 3.02Å
204L58.6Low52.2Low94 Ų94119.2 Ų119.249%0.49262%0.62SS.*Hα-helixtrans-65.9-34.2179.3-72.4167.6000113H200 L201H200-L204 WeakPolarHBondContact O-CG 3.22Å; H200-L204 PolarHBondContact O-N 3.42Å; L201-L204 PolarHBondContact O-N 2.88Å
205M60.1Low52.2Low151 Ų151116.9 Ų116.974%0.74461%0.611SS**Hα-helixtrans-76.6-27.7176-72.1-178.16700113.4L201 T202 S203L201-M205 WeakPolarHBondContact O-CB 3.31Å; L201-M205 WeakPolarHBondContact O-CG 3.24Å; L201-M205 PolarHBondContact O-N 3.33Å; T202-M205 PolarHBondContact O-N 2.62Å; S203-M205 PolarHBondContact O-N 3.2Å
206N64.9Low52.1Low129 Ų129120.9 Ų120.969%0.6963%0.628SS**Hα-helixtrans-84.1-16.5175.8-70.4-26.2000112.8T202 S203 E208T202-N206 WeakPolarHBondContact O-CB 3.26Å; T202-N206 PolarHBondContact O-N 2.94Å; T202-N206 PolarHBondContact O-ND2 3.32Å; S203-N206 PolarHBondContact O-N 3.29Å; N206-E208 PolarHBondContact O-N 3.2Å; N206-E208 VanDerWaalsContact O-N 3.08Å
207E49.9Very low52Low132 Ų132119 Ų11962%0.61762%0.621SS**  trans-79.559165.2-72.5-171.2161.600111.4S203 V209S203-E207 PolarHBondContact O-N 3.02Å; E207-V209 PolarHBondContact O-N 2.94Å
208E39.5Very low52Low163 Ų163117.8 Ų117.876%0.76261%0.612SS**  trans-66.583.6161.2-81.4-163.815800109.4N206 F210N206-E208 PolarHBondContact O-N 3.2Å; N206-E208 VanDerWaalsContact O-N 3.08Å; E208-F210 PolarHBondContact O-N 3.21Å
209V39.3Very low51.6Low105 Ų105121.8 Ų121.864%0.63663%0.631SS**  trans-67.797.8168.5-178.50000107.7E207 L211E207-V209 PolarHBondContact O-N 2.94Å; V209-L211 HydrophobicContact CG1-CD2 4.29Å; V209-L211 HydrophobicContact CG1-CG 4.19Å; V209-L211 PolarHBondContact O-N 3.15Å
210F35.5Very low51.2Low186 Ų186121.6 Ų121.682%0.81663%0.631SS**  trans-50101.6159.1-101.4-98.7000108.7E208 P212E208-F210 PolarHBondContact O-N 3.21Å; F210-P212 WeakPolarHBondContact O-CD 3.44Å
211L37.2Very low50.8Low151 Ų151123.4 Ų123.479%0.79164%0.639SS**  trans-9299.8165.8-76.4171.5000107.8V209V209-L211 HydrophobicContact CG1-CD2 4.29Å; V209-L211 HydrophobicContact CG1-CG 4.19Å; V209-L211 PolarHBondContact O-N 3.15Å
212P37.9Very low50.3Low100 Ų100125.5 Ų125.565%0.64965%0.65SS**  trans-68.4145.3173.829.7-35000110.5F210 R214F210-P212 WeakPolarHBondContact O-CD 3.44Å; P212-R214 PolarHBondContact O-N 3.28Å
213D39.4Very low49.6Very low167 Ų167127.6 Ų127.689%0.89366%0.663SS**  trans-46.9108.7-179.1-66.7-53.3000112.4
214R39.7Very low48.5Very low180 Ų180131.8 Ų131.868%0.67968%0.676SS**  trans-91.5113.5171.4-72.6-166.1177.5-1550.7109.3P212P212-R214 PolarHBondContact O-N 3.28Å
215T51.3Low47.8Very low99 Ų99133.4 Ų133.461%0.60769%0.689SS**  trans-62149.4172.947.70000111.7A217 Q218T215-A217 PolarHBondContact O-N 3.08Å; T215-Q218 PolarHBondContact O-N 3.12Å
216D52.6Low46.8Very low137 Ų137134.9 Ų134.973%0.73369%0.691SS**G310 helixtrans-51.6-30.1-173.1-60.3-55.1000114.1Q218 L219 E220D216-Q218 PolarHBondContact O-N 3.32Å; D216-Q218 VanDerWaalsContact O-N 3.16Å; D216-L219 WeakPolarHBondContact O-CB 3.43Å; D216-L219 PolarHBondContact O-N 3.1Å; D216-E220 PolarHBondContact O-N 2.57Å
217A57.3Low45.6Very low65 Ų65134.4 Ų134.454%0.53770%0.698SS.*G310 helixtrans-59.4-22.8176.400000114.6T215T215-A217 PolarHBondContact O-N 3.08Å
218Q52.2Low45.1Very low92 Ų92133.6 Ų133.643%0.4371%0.707SS.*G310 helixtrans-86.8-19.1173.7-68.3-165.6-800113.4T215 D216T215-Q218 PolarHBondContact O-N 3.12Å; D216-Q218 PolarHBondContact O-N 3.32Å; D216-Q218 VanDerWaalsContact O-N 3.16Å
219L50.8Low45.1Very low125 Ų125136.5 Ų136.565%0.65472%0.717SS**THydrogen-bonded Turntrans-77-34.7176.4-154.670.8000110.9D216 Q221 L222D216-L219 WeakPolarHBondContact O-CB 3.43Å; D216-L219 PolarHBondContact O-N 3.1Å; L219-Q221 VanDerWaalsContact C-N 3.28Å; L219-Q221 PolarHBondContact O-N 3.33Å; L219-L222 PolarHBondContact O-N 3.47Å
220E55.3Low45Very low152 Ų152134.4 Ų134.471%0.7172%0.716SS**THydrogen-bonded Turntrans-69.7-20.2178.9-151.3173.7-148.100113.7D216 T223D216-E220 PolarHBondContact O-N 2.57Å; E220-T223 PolarHBondContact O-OG1 2.87Å
221Q53.2Low45.3Very low159 Ų159129 Ų12974%0.74370%0.699SS**THydrogen-bonded Turntrans-80-19.8173.4-66.6-170.10.100113.4L219L219-Q221 VanDerWaalsContact C-N 3.28Å; L219-Q221 PolarHBondContact O-N 3.33Å
222L45.5Very low45.4Very low118 Ų118127.1 Ų127.162%0.61869%0.693SS**G310 helixtrans-83.3-17.1179.5-79.5161.4000113.4L219 H224L219-L222 PolarHBondContact O-N 3.47Å; L222-H224 VanDerWaalsContact C-N 3.28Å; L222-H224 PolarHBondContact O-N 3.26Å
223T50.3Low45.6Very low111 Ų111129.7 Ų129.768%0.68170%0.696SS**G310 helixtrans-79.6-1.8-179.246.60000114.5E220E220-T223 PolarHBondContact O-OG1 2.87Å
224H47.5Very low45.7Very low152 Ų152128 Ų12870%0.70468%0.683SS**G310 helixtrans-103.62.7-170.2-123-67.4000116.7L222 K226L222-H224 VanDerWaalsContact C-N 3.28Å; L222-H224 PolarHBondContact O-N 3.26Å; H224-K226 PolarHBondContact O-N 2.94Å
225V43.5Very low45.7Very low127 Ų127125.2 Ų125.277%0.7768%0.681SS**  trans-82105180-1760000111.3
226K41.1Very low45.2Very low182 Ų182126.2 Ų126.279%0.79168%0.679SS**  trans-79.2143.2176.3-75.6177.7174.5174.50112.5H224H224-K226 PolarHBondContact O-N 2.94Å
227S37.8Very low44.5Very low120 Ų120126.8 Ų126.884%0.83968%0.675SS**  trans69.3140.8174.181.30000114.8
228S41Very low43.6Very low114 Ų114130.5 Ų130.580%0.79768%0.679SS**  cis-141.9163.415.861.40000112.9G230S228-G230 PolarHBondContact O-N 3.24Å
229K38Very low43.1Very low225 Ų225131.7 Ų131.798%0.97869%0.688SS**SBendtrans-24.692.9-174.8-66.2174.9176.9176.70117.4
230G38.4Very low42.6Very low60 Ų60130.7 Ų130.762%0.61968%0.682SS**SBendtrans-158126.9155.800000107.5S228 V232S228-G230 PolarHBondContact O-N 3.24Å; G230-V232 PolarHBondContact O-N 3.03Å; G230-V232 VanDerWaalsContact O-N 3.1Å
231T40.6Very low41.8Very low73 Ų73129.3 Ų129.345%0.44867%0.674SS.*  trans-66114.1-177.2350000109.7E233 Q234 L235T231-E233 PolarHBondContact O-N 3.43Å; T231-E233 VanDerWaalsContact O-N 3.11Å; T231-Q234 PolarHBondContact O-N 2.98Å; T231-Q234 VanDerWaalsContact OG1-CD 3.32Å; T231-Q234 VanDerWaalsContact OG1-CG 3.3Å; T231-Q234 WeakPolarHBondContact OG1-CG 3.46Å; T231-L235 PolarHBondContact O-N 2.97Å
232V40.2Very low41.1Very low111 Ų111127.2 Ų127.267%0.67367%0.668SS**Hα-helixtrans-54.4-32.2177.4175.40000110.8G230 Q234 L235 H236G230-V232 PolarHBondContact O-N 3.03Å; G230-V232 VanDerWaalsContact O-N 3.1Å; V232-Q234 PolarHBondContact O-N 2.96Å; V232-L235 PolarHBondContact O-N 3.39Å; V232-L235 VanDerWaalsContact O-N 3.17Å; V232-H236 PolarHBondContact O-N 2.92Å
233E41.4Very low40.7Very low154 Ų154124.3 Ų124.372%0.7266%0.657SS**Hα-helixtrans-58.8-37172.6-62.2169.9149.500113.6T231 F237T231-E233 PolarHBondContact O-N 3.43Å; T231-E233 VanDerWaalsContact O-N 3.11Å; E233-F237 VanDerWaalsContact O-CB 3.25Å; E233-F237 WeakPolarHBondContact O-CB 3.41Å; E233-F237 PolarHBondContact O-N 3.32Å
234Q41.5Very low40.3Very low133 Ų133123.7 Ų123.762%0.62165%0.649SS**Hα-helixtrans-72.9-29.7175.7-76.4-175.23.700112.6T231 V232 K238T231-Q234 PolarHBondContact O-N 2.98Å; T231-Q234 VanDerWaalsContact OG1-CD 3.32Å; T231-Q234 VanDerWaalsContact OG1-CG 3.3Å; T231-Q234 WeakPolarHBondContact OG1-CG 3.46Å; V232-Q234 PolarHBondContact O-N 2.96Å; Q234-K238 WeakPolarHBondContact O-CB 3.45Å; Q234-K238 WeakPolarHBondContact O-CG 3.41Å; Q234-K238 PolarHBondContact O-N 2.85Å; Q234-K238 VanDerWaalsContact O-N 3.1Å
235L39.5Very low40.2Very low121 Ų121119.4 Ų119.463%0.63463%0.631SS**Hα-helixtrans-73.7-44.5173.4-13194000110.5T231 V232 F237 K238 L239T231-L235 PolarHBondContact O-N 2.97Å; V232-L235 PolarHBondContact O-N 3.39Å; V232-L235 VanDerWaalsContact O-N 3.17Å; L235-F237 PolarHBondContact O-N 3.46Å; L235-K238 PolarHBondContact O-N 3.32Å; L235-L239 HydrophobicContact CD2-CD1 4.45Å; L235-L239 WeakPolarHBondContact O-CB 3.22Å; L235-L239 PolarHBondContact O-N 2.93Å
236H41.5Very low40.4Very low120 Ų120116.6 Ų116.656%0.55662%0.617SS**Hα-helixtrans-59.4-44.7174.5-118.7112.8000111.6V232 K238 L239 L240V232-H236 PolarHBondContact O-N 2.92Å; H236-K238 PolarHBondContact O-N 3.29Å; H236-L239 PolarHBondContact O-N 3.18Å; H236-L240 WeakPolarHBondContact O-CB 3.32Å; H236-L240 PolarHBondContact O-N 2.88Å
237F38.1Very low40.7Very low149 Ų149112 Ų11265%0.65460%0.601SS**Hα-helixtrans-66.3-37.4177.7-159.3-87000112E233 L235 F241E233-F237 VanDerWaalsContact O-CB 3.25Å; E233-F237 WeakPolarHBondContact O-CB 3.41Å; E233-F237 PolarHBondContact O-N 3.32Å; L235-F237 PolarHBondContact O-N 3.46Å; F237-F241 WeakPolarHBondContact O-CB 3.38Å; F237-F241 PolarHBondContact O-N 2.88Å
238K38.9Very low41.4Very low142 Ų142109.9 Ų109.962%0.61758%0.579SS**Hα-helixtrans-67.6-39.9173.4-80.8-179.5176.5-179.50112.8Q234 L235 H236 F241 L242Q234-K238 WeakPolarHBondContact O-CB 3.45Å; Q234-K238 WeakPolarHBondContact O-CG 3.41Å; Q234-K238 PolarHBondContact O-N 2.85Å; Q234-K238 VanDerWaalsContact O-N 3.1Å; L235-K238 PolarHBondContact O-N 3.32Å; H236-K238 PolarHBondContact O-N 3.29Å; K238-F241 PolarHBondContact O-N 3.22Å; K238-L242 VanDerWaalsContact O-CD1 3.24Å; K238-L242 WeakPolarHBondContact O-CD1 3.27Å; K238-L242 PolarHBondContact O-N 2.87Å
239L40.8Very low41.8Very low117 Ų117109.9 Ų109.961%0.61357%0.57SS**Hα-helixtrans-66.9-44.9176.3-91.4151000111.9L235 H236 F241 L242 S243L235-L239 HydrophobicContact CD2-CD1 4.45Å; L235-L239 WeakPolarHBondContact O-CB 3.22Å; L235-L239 PolarHBondContact O-N 2.93Å; H236-L239 PolarHBondContact O-N 3.18Å; L239-F241 VanDerWaalsContact C-N 3.34Å; L239-F241 PolarHBondContact O-N 3.21Å; L239-L242 PolarHBondContact O-N 3.04Å; L239-S243 WeakPolarHBondContact O-CB 3.16Å; L239-S243 PolarHBondContact O-N 3.37Å
240L41.4Very low42.8Very low104 Ų104103.2 Ų103.255%0.54555%0.548SS..Hα-helixtrans-60.8-41.5171.4-87.2157.3000111.9H236 S243 L244H236-L240 WeakPolarHBondContact O-CB 3.32Å; H236-L240 PolarHBondContact O-N 2.88Å; L240-S243 PolarHBondContact O-N 3.35Å; L240-L244 WeakPolarHBondContact O-CB 3.45Å; L240-L244 PolarHBondContact O-N 3.25Å
241F36.6Very low43.5Very low123 Ų123101.7 Ų101.754%0.53953%0.529SS..Hα-helixtrans-69-34.8177.8-161.9-98.6000112.1F237 K238 L239 N245F237-F241 WeakPolarHBondContact O-CB 3.38Å; F237-F241 PolarHBondContact O-N 2.88Å; K238-F241 PolarHBondContact O-N 3.22Å; L239-F241 VanDerWaalsContact C-N 3.34Å; L239-F241 PolarHBondContact O-N 3.21Å; F241-N245 WeakPolarHBondContact CD1-ND2 3.48Å; F241-N245 WeakPolarHBondContact CE1-ND2 3.35Å; F241-N245 WeakPolarHBondContact O-CB 3.47Å; F241-N245 PolarHBondContact O-N 3.13Å; F241-N245 VanDerWaalsContact O-N 3.12Å; F241-N245 PolarHBondContact O-ND2 2.94Å
242L38.4Very low43.8Very low116 Ų116100.5 Ų100.561%0.60752%0.518SS*.Hα-helixtrans-68.5-46.5171.6-97.795.4000111.9K238 L239 N245 C246K238-L242 VanDerWaalsContact O-CD1 3.24Å; K238-L242 WeakPolarHBondContact O-CD1 3.27Å; K238-L242 PolarHBondContact O-N 2.87Å; L239-L242 PolarHBondContact O-N 3.04Å; L242-N245 PolarHBondContact O-N 3.1Å; L242-C246 WeakPolarHBondContact O-CB 3.25Å; L242-C246 PolarHBondContact O-N 2.65Å; L242-C246 PolarHBondContact O-SG 3.48Å; L242-C246 VanDerWaalsContact O-SG 3.37Å
243S38.8Very low44.4Very low57 Ų5798.9 Ų98.940%0.39950%0.503SS..Hα-helixtrans-56-53.4175.3149.50000110.8L239 L240 N245 C246 D247L239-S243 WeakPolarHBondContact O-CB 3.16Å; L239-S243 PolarHBondContact O-N 3.37Å; L240-S243 PolarHBondContact O-N 3.35Å; S243-N245 VanDerWaalsContact C-N 3.31Å; S243-N245 PolarHBondContact O-N 3.36Å; S243-C246 CarbonylContact O-C 3.56Å; S243-C246 WeakPolarHBondContact O-CA 3.25Å; S243-C246 WeakPolarHBondContact O-CB 3.37Å; S243-C246 PolarHBondContact O-N 3.32Å; S243-D247 VanDerWaalsContact O-CG 3.27Å; S243-D247 PolarHBondContact O-N 2.97Å; S243-D247 VanDerWaalsContact O-OD2 3.11Å; S243-D247 PolarHBondContact OG-OD2 3.34Å
244L41.5Very low44.8Very low97 Ų9795 Ų9551%0.50849%0.492SS..Hα-helixtrans-62.8-36.2-177.8-147.885.3000112.7L240 I248L240-L244 WeakPolarHBondContact O-CB 3.45Å; L240-L244 PolarHBondContact O-N 3.25Å; L244-I248 HydrophobicContact CD2-CD1 4.44Å; L244-I248 HydrophobicContact CG-CD1 4.41Å; L244-I248 WeakPolarHBondContact O-CB 3.25Å; L244-I248 WeakPolarHBondContact O-CD1 3.17Å; L244-I248 WeakPolarHBondContact O-CG1 3.38Å; L244-I248 PolarHBondContact O-N 3.17Å
245N45.8Very low45.1Very low62 Ų6291 Ų9133%0.33248%0.475SS..Hα-helixtrans-72.6-34.1174.4-80.5-77.4000112.6F241 L242 S243 L249F241-N245 WeakPolarHBondContact CD1-ND2 3.48Å; F241-N245 WeakPolarHBondContact CE1-ND2 3.35Å; F241-N245 WeakPolarHBondContact O-CB 3.47Å; F241-N245 PolarHBondContact O-N 3.13Å; F241-N245 VanDerWaalsContact O-N 3.12Å; F241-N245 PolarHBondContact O-ND2 2.94Å; L242-N245 PolarHBondContact O-N 3.1Å; S243-N245 VanDerWaalsContact C-N 3.31Å; S243-N245 PolarHBondContact O-N 3.36Å; N245-L249 WeakPolarHBondContact O-CB 3.41Å; N245-L249 WeakPolarHBondContact O-CG 3.37Å; N245-L249 PolarHBondContact O-N 3.05Å
246C46.8Very low45.6Very low68 Ų6891 Ų9146%0.45947%0.471SS..Hα-helixtrans-63.8-45.4170.4-76.30000110.7L242 S243 I248 L249 V250L242-C246 WeakPolarHBondContact O-CB 3.25Å; L242-C246 PolarHBondContact O-N 2.65Å; L242-C246 PolarHBondContact O-SG 3.48Å; L242-C246 VanDerWaalsContact O-SG 3.37Å; S243-C246 CarbonylContact O-C 3.56Å; S243-C246 WeakPolarHBondContact O-CA 3.25Å; S243-C246 WeakPolarHBondContact O-CB 3.37Å; S243-C246 PolarHBondContact O-N 3.32Å; C246-I248 PolarHBondContact O-N 2.77Å; C246-L249 PolarHBondContact O-N 3.28Å; C246-V250 VanDerWaalsContact O-CB 3.27Å; C246-V250 WeakPolarHBondContact O-CB 3.27Å; C246-V250 VanDerWaalsContact O-CG2 3.23Å; C246-V250 WeakPolarHBondContact O-CG2 3.32Å; C246-V250 PolarHBondContact O-N 3.2Å
247D48.3Very low45.9Very low85 Ų8591.6 Ų91.646%0.45547%0.474SS..Hα-helixtrans-65-38.8178.5-61.9-37.3000111.6S243 A251S243-D247 VanDerWaalsContact O-CG 3.27Å; S243-D247 PolarHBondContact O-N 2.97Å; S243-D247 VanDerWaalsContact O-OD2 3.11Å; S243-D247 PolarHBondContact OG-OD2 3.34Å; D247-A251 WeakPolarHBondContact O-CB 3.12Å; D247-A251 PolarHBondContact O-N 2.87Å
248I52.1Low46.1Very low77 Ų7786 Ų8640%0.39545%0.454SS..Hα-helixtrans-68.4-40.7173.3-69.1164.5000111.6L244 C246 F252 Y294L244-I248 HydrophobicContact CD2-CD1 4.44Å; L244-I248 HydrophobicContact CG-CD1 4.41Å; L244-I248 WeakPolarHBondContact O-CB 3.25Å; L244-I248 WeakPolarHBondContact O-CD1 3.17Å; L244-I248 WeakPolarHBondContact O-CG1 3.38Å; L244-I248 PolarHBondContact O-N 3.17Å; C246-I248 PolarHBondContact O-N 2.77Å; I248-F252 WeakPolarHBondContact O-CB 3.5Å; I248-F252 PolarHBondContact O-N 3.48Å; I248-Y294 VanDerWaalsContact CG1-OH 3.25Å; I248-Y294 WeakPolarHBondContact CG1-OH 3.46Å
249L48.6Very low46.6Very low113 Ų11381.9 Ų81.959%0.59244%0.443SS*.Hα-helixtrans-69-42.6177.2-85.1162.7000111.7N245 C246 F252 H253N245-L249 WeakPolarHBondContact O-CB 3.41Å; N245-L249 WeakPolarHBondContact O-CG 3.37Å; N245-L249 PolarHBondContact O-N 3.05Å; C246-L249 PolarHBondContact O-N 3.28Å; L249-F252 PolarHBondContact O-N 3.28Å; L249-H253 WeakPolarHBondContact O-CB 3.33Å; L249-H253 PolarHBondContact O-N 3.16Å
250V59.5Low46.6Very low86 Ų8681.6 Ų81.652%0.52144%0.437SS..Hα-helixtrans-64.9-45.5174170.40000109.4C246 F252 H253 C254C246-V250 VanDerWaalsContact O-CB 3.27Å; C246-V250 WeakPolarHBondContact O-CB 3.27Å; C246-V250 VanDerWaalsContact O-CG2 3.23Å; C246-V250 WeakPolarHBondContact O-CG2 3.32Å; C246-V250 PolarHBondContact O-N 3.2Å; V250-F252 PolarHBondContact O-N 3.36Å; V250-H253 PolarHBondContact O-N 2.92Å; V250-C254 WeakPolarHBondContact O-CA 3.45Å; V250-C254 WeakPolarHBondContact O-CB 3.33Å; V250-C254 PolarHBondContact O-N 3.06Å; V250-C254 PolarHBondContact O-SG 2.72Å
251A52.4Low46.8Very low28 Ų2877.9 Ų77.923%0.23142%0.418CS..Hα-helixtrans-59.2-48.9173.400000111.3D247 H253 C254 L255 Y294D247-A251 WeakPolarHBondContact O-CB 3.12Å; D247-A251 PolarHBondContact O-N 2.87Å; A251-H253 VanDerWaalsContact C-N 3.34Å; A251-H253 PolarHBondContact O-N 2.66Å; A251-C254 PolarHBondContact O-N 2.86Å; A251-L255 VanDerWaalsContact O-CB 3.23Å; A251-L255 WeakPolarHBondContact O-CB 3.1Å; A251-L255 WeakPolarHBondContact O-CD1 3.47Å; A251-L255 WeakPolarHBondContact O-CG 3.18Å; A251-L255 PolarHBondContact O-N 3.1Å; A251-Y294 HydrophobicContact CB-CE1 4.36Å
252F48Very low47.1Very low47 Ų4776.8 Ų76.821%0.20642%0.415CS..Hα-helixtrans-62.3-39.3178.3-176.4-96.3000112.5I248 L249 V250 L255 Q256 F301I248-F252 WeakPolarHBondContact O-CB 3.5Å; I248-F252 PolarHBondContact O-N 3.48Å; L249-F252 PolarHBondContact O-N 3.28Å; V250-F252 PolarHBondContact O-N 3.36Å; F252-L255 WeakPolarHBondContact O-CB 3.39Å; F252-L255 PolarHBondContact O-N 2.91Å; F252-Q256 HydrophobicContact CD1-CG 4.35Å; F252-Q256 VanDerWaalsContact CE1-CD 3.48Å; F252-Q256 HydrophobicContact CE1-CG 3.97Å; F252-Q256 HydrophobicContact CZ-CG 4.24Å; F252-Q256 WeakPolarHBondContact O-CG 3.39Å; F252-Q256 PolarHBondContact O-N 3.04Å; F252-F301 HydrophobicContact CD2-CD1 4.04Å; F252-F301 HydrophobicContact CD2-CE1 4.19Å; F252-F301 AromaticContact CE2-CD1 3.65Å; F252-F301 HydrophobicContact CE2-CD1 3.65Å; F252-F301 AromaticContact CE2-CE1 3.76Å; F252-F301 HydrophobicContact CE2-CE1 3.76Å; F252-F301 HydrophobicContact CZ-CE1 4.24Å
253H51.9Low47.6Very low78 Ų7878.2 Ų78.236%0.36141%0.412SS..Hα-helixtrans-75.8-39.3178.9-157.1-94.9000111.7L249 V250 A251 L255 Q256 Q257L249-H253 WeakPolarHBondContact O-CB 3.33Å; L249-H253 PolarHBondContact O-N 3.16Å; V250-H253 PolarHBondContact O-N 2.92Å; A251-H253 VanDerWaalsContact C-N 3.34Å; A251-H253 PolarHBondContact O-N 2.66Å; H253-L255 VanDerWaalsContact C-N 3.27Å; H253-L255 PolarHBondContact O-N 3.43Å; H253-Q256 PolarHBondContact O-N 3.25Å; H253-Q257 PolarHBondContact CE1-NE2 2.88Å; H253-Q257 VanDerWaalsContact CE1-NE2 3.32Å; H253-Q257 PolarHBondContact ND1-OE1 2.69Å; H253-Q257 VanDerWaalsContact ND1-OE1 3.11Å; H253-Q257 VanDerWaalsContact O-CB 3.23Å; H253-Q257 WeakPolarHBondContact O-CB 3.48Å; H253-Q257 WeakPolarHBondContact O-CG 3.39Å; H253-Q257 PolarHBondContact O-N 3.36Å
254C50.7Low47.9Very low72 Ų7277.5 Ų77.549%0.48640%0.404SS..Hα-helixtrans-62.5-34.7168-73.60000111.1V250 A251 S258V250-C254 WeakPolarHBondContact O-CA 3.45Å; V250-C254 WeakPolarHBondContact O-CB 3.33Å; V250-C254 PolarHBondContact O-N 3.06Å; V250-C254 PolarHBondContact O-SG 2.72Å; A251-C254 PolarHBondContact O-N 2.86Å; C254-S258 VanDerWaalsContact O-CA 3.32Å; C254-S258 WeakPolarHBondContact O-CA 3.45Å; C254-S258 WeakPolarHBondContact O-CB 3.47Å; C254-S258 PolarHBondContact O-N 2.67Å; C254-S258 PolarHBondContact O-OG 2.59Å
255L47.9Very low48.1Very low49 Ų4979 Ų7926%0.25741%0.406SS..Hα-helixtrans-67.5-48.6171.7-84144000110.3A251 F252 H253 S258 V261 V298A251-L255 VanDerWaalsContact O-CB 3.23Å; A251-L255 WeakPolarHBondContact O-CB 3.1Å; A251-L255 WeakPolarHBondContact O-CD1 3.47Å; A251-L255 WeakPolarHBondContact O-CG 3.18Å; A251-L255 PolarHBondContact O-N 3.1Å; F252-L255 WeakPolarHBondContact O-CB 3.39Å; F252-L255 PolarHBondContact O-N 2.91Å; H253-L255 VanDerWaalsContact C-N 3.27Å; H253-L255 PolarHBondContact O-N 3.43Å; L255-S258 PolarHBondContact O-N 2.88Å; L255-S258 PolarHBondContact O-OG 3.07Å; L255-V261 HydrophobicContact CB-CG2 4.03Å; L255-V261 HydrophobicContact CD2-CG2 3.53Å; L255-V261 HydrophobicContact CG-CG2 4.41Å; L255-V261 WeakPolarHBondContact O-CB 3.49Å; L255-V261 WeakPolarHBondContact O-CG2 3.27Å; L255-V298 HydrophobicContact CD1-CB 4.1Å; L255-V298 HydrophobicContact CD1-CG1 3.44Å; L255-V298 VanDerWaalsContact CD1-CG1 3.44Å; L255-V298 HydrophobicContact CD1-CG2 3.66Å; L255-V298 HydrophobicContact CD2-CG1 4.01Å; L255-V298 HydrophobicContact CG-CG1 4.18Å
256Q49.9Very low48.1Very low121 Ų12178.1 Ų78.157%0.56541%0.408SS*.Hα-helixtrans-62.9-40.4175.5-75.2-164.3-50.300114.2F252 H253F252-Q256 HydrophobicContact CD1-CG 4.35Å; F252-Q256 VanDerWaalsContact CE1-CD 3.48Å; F252-Q256 HydrophobicContact CE1-CG 3.97Å; F252-Q256 HydrophobicContact CZ-CG 4.24Å; F252-Q256 WeakPolarHBondContact O-CG 3.39Å; F252-Q256 PolarHBondContact O-N 3.04Å; H253-Q256 PolarHBondContact O-N 3.25Å
257Q46.7Very low48.1Very low133 Ų13378.2 Ų78.262%0.62140%0.4SS*.Hα-helixtrans-80.6-18.8177.1-71.4-174.1-44.900112.5H253 S259H253-Q257 PolarHBondContact CE1-NE2 2.88Å; H253-Q257 VanDerWaalsContact CE1-NE2 3.32Å; H253-Q257 PolarHBondContact ND1-OE1 2.69Å; H253-Q257 VanDerWaalsContact ND1-OE1 3.11Å; H253-Q257 VanDerWaalsContact O-CB 3.23Å; H253-Q257 WeakPolarHBondContact O-CB 3.48Å; H253-Q257 WeakPolarHBondContact O-CG 3.39Å; H253-Q257 PolarHBondContact O-N 3.36Å; Q257-S259 PolarHBondContact O-N 3.5Å
258S43.6Very low48.1Very low31 Ų3178.2 Ų78.222%0.21741%0.405CS..  trans-64.1118.5172.872.40000107.7C254 L255 F260 V261 E262C254-S258 VanDerWaalsContact O-CA 3.32Å; C254-S258 WeakPolarHBondContact O-CA 3.45Å; C254-S258 WeakPolarHBondContact O-CB 3.47Å; C254-S258 PolarHBondContact O-N 2.67Å; C254-S258 PolarHBondContact O-OG 2.59Å; L255-S258 PolarHBondContact O-N 2.88Å; L255-S258 PolarHBondContact O-OG 3.07Å; S258-F260 PolarHBondContact O-N 3.18Å; S258-V261 PolarHBondContact O-N 2.94Å; S258-V261 PolarHBondContact OG-N 2.96Å; S258-V261 VanDerWaalsContact OG-N 3.11Å; S258-E262 PolarHBondContact O-N 2.86Å
259S48Very low48.1Very low56 Ų5679.4 Ų79.439%0.39242%0.418SS..Hα-helixtrans-53.4-8.8158.161.70000112.4Q257 R263Q257-S259 PolarHBondContact O-N 3.5Å; S259-R263 WeakPolarHBondContact O-CB 3.27Å; S259-R263 WeakPolarHBondContact O-CD 3.46Å; S259-R263 WeakPolarHBondContact O-CG 3.36Å; S259-R263 PolarHBondContact O-N 3.28Å; S259-R263 PolarHBondContact O-NE 2.92Å; S259-R263 PolarHBondContact OG-NH2 3.15Å
260F42.2Very low48.3Very low110 Ų11077.5 Ų77.548%0.48241%0.41SS..Hα-helixtrans-68-54.8167178.8-98000112.3S258 R263 L264 W274S258-F260 PolarHBondContact O-N 3.18Å; F260-R263 CarbonylContact O-C 3.45Å; F260-R263 PolarHBondContact O-N 3.21Å; F260-L264 HydrophobicContact CE1-CD1 4.21Å; F260-L264 HydrophobicContact CE2-CD1 4.41Å; F260-L264 HydrophobicContact CZ-CD1 3.94Å; F260-L264 VanDerWaalsContact O-CB 3.32Å; F260-L264 WeakPolarHBondContact O-CB 3.34Å; F260-L264 PolarHBondContact O-N 3.45Å; F260-W274 HydrophobicContact CE2-CZ2 4.2Å; F260-W274 HydrophobicContact CZ-CH2 4.33Å; F260-W274 HydrophobicContact CZ-CZ2 4.28Å
261V45.6Very low47.8Very low26 Ų2678.4 Ų78.416%0.15841%0.405CS..Hα-helixtrans-66.8-40.9179.21750000111.5L255 S258 R263 L264 F265L255-V261 HydrophobicContact CB-CG2 4.03Å; L255-V261 HydrophobicContact CD2-CG2 3.53Å; L255-V261 HydrophobicContact CG-CG2 4.41Å; L255-V261 WeakPolarHBondContact O-CB 3.49Å; L255-V261 WeakPolarHBondContact O-CG2 3.27Å; S258-V261 PolarHBondContact O-N 2.94Å; S258-V261 PolarHBondContact OG-N 2.96Å; S258-V261 VanDerWaalsContact OG-N 3.11Å; V261-R263 VanDerWaalsContact C-N 3.31Å; V261-R263 PolarHBondContact O-N 3.5Å; V261-L264 WeakPolarHBondContact O-CB 3.06Å; V261-L264 PolarHBondContact O-N 3.49Å; V261-L264 VanDerWaalsContact O-N 3.13Å; V261-F265 HydrophobicContact CG1-CD2 3.71Å; V261-F265 HydrophobicContact CG1-CE2 3.81Å; V261-F265 WeakPolarHBondContact O-CD2 2.97Å; V261-F265 PolarHBondContact O-N 3.25Å; V261-F265 VanDerWaalsContact O-N 3.1Å
262E42.6Very low47.8Very low101 Ų10179.6 Ų79.647%0.47241%0.41SS..Hα-helixtrans-59.6-44.6173.9-159.8-172176.600110.2T186 S258 L264 A266T186-E262 WeakPolarHBondContact CB-OE1 3.31Å; T186-E262 PolarHBondContact OG1-OE1 3.38Å; S258-E262 PolarHBondContact O-N 2.86Å; E262-L264 PolarHBondContact O-N 3.2Å; E262-A266 WeakPolarHBondContact O-CB 3.36Å; E262-A266 PolarHBondContact O-N 3.4Å
263R47.9Very low48Very low146 Ų14682.3 Ų82.355%0.55143%0.431SS*.Hα-helixtrans-64.2-36.9173.1-78.7178.6-103.6-162.1-5.2113.3S259 F260 V261 F265 F267S259-R263 WeakPolarHBondContact O-CB 3.27Å; S259-R263 WeakPolarHBondContact O-CD 3.46Å; S259-R263 WeakPolarHBondContact O-CG 3.36Å; S259-R263 PolarHBondContact O-N 3.28Å; S259-R263 PolarHBondContact O-NE 2.92Å; S259-R263 PolarHBondContact OG-NH2 3.15Å; F260-R263 CarbonylContact O-C 3.45Å; F260-R263 PolarHBondContact O-N 3.21Å; V261-R263 VanDerWaalsContact C-N 3.31Å; V261-R263 PolarHBondContact O-N 3.5Å; R263-F265 VanDerWaalsContact C-N 3.35Å; R263-F265 PolarHBondContact O-N 2.79Å; R263-F267 HydrophobicContact CB-CD2 4.43Å; R263-F267 HydrophobicContact CG-CD2 4.23Å; R263-F267 WeakPolarHBondContact O-CA 3.48Å; R263-F267 WeakPolarHBondContact O-CB 3.21Å; R263-F267 PolarHBondContact O-N 3.08Å
264L45.6Very low47.8Very low42 Ų4285.3 Ų85.322%0.2244%0.439CS..Hα-helixtrans-64.2-39.3-176.5-156.485.4000111.9F260 V261 E262 W271F260-L264 HydrophobicContact CE1-CD1 4.21Å; F260-L264 HydrophobicContact CE2-CD1 4.41Å; F260-L264 HydrophobicContact CZ-CD1 3.94Å; F260-L264 VanDerWaalsContact O-CB 3.32Å; F260-L264 WeakPolarHBondContact O-CB 3.34Å; F260-L264 PolarHBondContact O-N 3.45Å; V261-L264 WeakPolarHBondContact O-CB 3.06Å; V261-L264 PolarHBondContact O-N 3.49Å; V261-L264 VanDerWaalsContact O-N 3.13Å; E262-L264 PolarHBondContact O-N 3.2Å; L264-W271 PolarHBondContact O-NE1 2.92Å
265F47Very low47.6Very low128 Ų12887.3 Ų87.356%0.56145%0.454SS*.Hα-helixtrans-91.5-34.1178.1-72.9-72.2000113.5V261 R263V261-F265 HydrophobicContact CG1-CD2 3.71Å; V261-F265 HydrophobicContact CG1-CE2 3.81Å; V261-F265 WeakPolarHBondContact O-CD2 2.97Å; V261-F265 PolarHBondContact O-N 3.25Å; V261-F265 VanDerWaalsContact O-N 3.1Å; R263-F265 VanDerWaalsContact C-N 3.35Å; R263-F265 PolarHBondContact O-N 2.79Å
266A45.8Very low47.3Very low43 Ų4388.2 Ų88.236%0.35546%0.464SS..Hα-helixtrans-78.5-29179.500000113.6E262 P268E262-A266 WeakPolarHBondContact O-CB 3.36Å; E262-A266 PolarHBondContact O-N 3.4Å; A266-P268 VanDerWaalsContact C-CD 3.44Å; A266-P268 WeakPolarHBondContact O-CD 3.41Å
267F47Very low47.1Very low71 Ų7187.1 Ų87.131%0.31147%0.467SS..  trans-122.573.3-179.5-57.7-88.8000113.1R263 P269 V270R263-F267 HydrophobicContact CB-CD2 4.43Å; R263-F267 HydrophobicContact CG-CD2 4.23Å; R263-F267 WeakPolarHBondContact O-CA 3.48Å; R263-F267 WeakPolarHBondContact O-CB 3.21Å; R263-F267 PolarHBondContact O-N 3.08Å; F267-P269 WeakPolarHBondContact O-CD 3.43Å; F267-V270 HydrophobicContact CB-CG2 3.67Å; F267-V270 PolarHBondContact O-N 3.28Å
268P46.8Very low46.9Very low84 Ų8488.7 Ų88.755%0.54547%0.469SS..G310 helixtrans-46.7-31168.4-26.633.3000116.2A266 V270A266-P268 VanDerWaalsContact C-CD 3.44Å; A266-P268 WeakPolarHBondContact O-CD 3.41Å; P268-V270 PolarHBondContact O-N 3.02Å
269P52.4Low47Very low103 Ų10391.3 Ų91.367%0.66949%0.487SS*.G310 helixtrans-65.8-9.3176.2-24.235.9000116.2F267 P272F267-P269 WeakPolarHBondContact O-CD 3.43Å; P269-P272 WeakPolarHBondContact O-CD 3.46Å
270V53.3Low46.6Very low72 Ų7297 Ų9744%0.43651%0.507SS..G310 helixtrans-83.3-22.6-177.7-176.80000112.4F267 P268 P272 T273F267-V270 HydrophobicContact CB-CG2 3.67Å; F267-V270 PolarHBondContact O-N 3.28Å; P268-V270 PolarHBondContact O-N 3.02Å; V270-P272 VanDerWaalsContact C-N 3.33Å; V270-T273 PolarHBondContact O-N 3.42Å; V270-T273 PolarHBondContact O-OG1 3.37Å; V270-T273 VanDerWaalsContact O-OG1 3.08Å
271W49.3Very low46.2Very low105 Ų10597 Ų9740%0.39851%0.51SS..G310 helixtrans-53-34.1-179.3-68.423.2000115.6L264 L395L264-W271 PolarHBondContact O-NE1 2.92Å; W271-L395 HydrophobicContact CH2-CD2 4.25Å; W271-L395 HydrophobicContact CZ3-CD1 4.05Å; W271-L395 HydrophobicContact CZ3-CD2 4.08Å
272P51.9Low45.9Very low53 Ų53100.9 Ų100.934%0.34453%0.527SS..G310 helixtrans-84.7-7.2-174.9-13.231.1000116.7P269 V270 W274 H385P269-P272 WeakPolarHBondContact O-CD 3.46Å; V270-P272 VanDerWaalsContact C-N 3.33Å; P272-W274 PolarHBondContact O-N 2.9Å; P272-H385 HydrophobicContact CB-CB 3.97Å; P272-H385 VanDerWaalsContact CB-ND1 3.33Å; P272-H385 WeakPolarHBondContact CB-ND1 3.4Å; P272-H385 HydrophobicContact CG-CB 3.7Å; P272-H385 VanDerWaalsContact CG-CG 3.5Å
273T52.9Low45.7Very low104 Ų104100.3 Ų100.364%0.63854%0.539SS*.G310 helixtrans-80.7-4.1-177.253.30000113.7V270 S275V270-T273 PolarHBondContact O-N 3.42Å; V270-T273 PolarHBondContact O-OG1 3.37Å; V270-T273 VanDerWaalsContact O-OG1 3.08Å; T273-S275 PolarHBondContact O-N 2.82Å
274W45.7Very low45Very low142 Ų142102.8 Ų102.854%0.53855%0.554SS.*  trans-72.883.2-178.2-71.429.9000111.5F260 P272F260-W274 HydrophobicContact CE2-CZ2 4.2Å; F260-W274 HydrophobicContact CZ-CH2 4.33Å; F260-W274 HydrophobicContact CZ-CZ2 4.28Å; P272-W274 PolarHBondContact O-N 2.9Å
275S48.2Very low44.3Very low114 Ų114103.7 Ų103.780%0.79756%0.563SS**  trans-97.91.5176.558.30000114.5T273T273-S275 PolarHBondContact O-N 2.82Å
276S41.6Very low43.6Very low68 Ų68103.2 Ų103.248%0.47657%0.573SS.*  trans-143.3119.3169.6-179.10000109.4Y278S276-Y278 VanDerWaalsContact C-N 3.26Å; S276-Y278 PolarHBondContact O-N 3.03Å
277P44.2Very low43Very low97 Ų97104.3 Ų104.363%0.6358%0.582SS**SBendtrans-73.6-6.9-179.7-19.331.9000115.8
278Y43.6Very low42.2Very low166 Ų166104.7 Ų104.765%0.65160%0.599SS**SBendtrans-119.9-18.4-155.1-69.5-76000117.5S276S276-Y278 VanDerWaalsContact C-N 3.26Å; S276-Y278 PolarHBondContact O-N 3.03Å
279S44.3Very low41.8Very low87 Ų87106.2 Ų106.261%0.60861%0.611SS**THydrogen-bonded Turntrans-84.2-39.4-165.455.60000115.9
280E41.5Very low41.1Very low174 Ų174108.9 Ų108.981%0.81362%0.617SS**THydrogen-bonded Turntrans-92.7-29-174.5-70.4-177.9178.100113.4A283E280-A283 PolarHBondContact O-N 3.47Å
281M33.7Very low40.8Very low111 Ų111109.2 Ų109.255%0.54761%0.614SS.*G310 helixtrans-66.7-35.6173.6-76.4-175.770.300112.4A283 F284M281-A283 PolarHBondContact O-N 2.91Å; M281-F284 PolarHBondContact O-N 3.12Å
282H37.4Very low40.7Very low108 Ų108110.4 Ų110.450%0.563%0.627SS.*G310 helixtrans-66.6-16.5-179.2-110.5-62.9000114.5F284H282-F284 VanDerWaalsContact C-N 3.28Å; H282-F284 PolarHBondContact O-N 3.45Å
283A39.7Very low40.8Very low88 Ų88113.3 Ų113.373%0.72764%0.636SS**G310 helixtrans-76.8-12.3178.600000113.5E280 M281E280-A283 PolarHBondContact O-N 3.47Å; M281-A283 PolarHBondContact O-N 2.91Å
284F32.5Very low40.9Very low198 Ų198112.8 Ų112.887%0.86862%0.623SS**THydrogen-bonded Turntrans-104.8-24.8-172.7-122.8-92.1000114.9M281 H282M281-F284 PolarHBondContact O-N 3.12Å; H282-F284 VanDerWaalsContact C-N 3.28Å; H282-F284 PolarHBondContact O-N 3.45Å
285C31.5Very low41.5Very low62 Ų62109 Ų10942%0.41962%0.615SS.*  trans-158.7132.6168.4-140.20000112.2A287C285-A287 PolarHBondContact O-N 3.11Å
286P32.3Very low42.2Very low117 Ų117103.9 Ų103.976%0.7658%0.579SS**  trans-81.44.5-176.7-17.233.2000117.2A288P286-A288 PolarHBondContact O-N 3.45Å
287A33.9Very low43.4Very low66 Ų66105.9 Ų105.955%0.54558%0.581SS.*  trans-93.276-167.500000114.4C285 S289C285-A287 PolarHBondContact O-N 3.11Å; A287-S289 PolarHBondContact O-N 3.48Å; A287-S289 VanDerWaalsContact O-N 3.1Å
288A30.2Very low44.5Very low80 Ų80102.4 Ų102.466%0.66156%0.558SS**THydrogen-bonded Turntrans-73100.2-176.900000114.3P286P286-A288 PolarHBondContact O-N 3.45Å
289S37.2Very low45.5Very low116 Ų11696.8 Ų96.881%0.81154%0.539SS*.THydrogen-bonded Turntrans-179.8-27141450000114.9A287A287-S289 PolarHBondContact O-N 3.48Å; A287-S289 VanDerWaalsContact O-N 3.1Å
290M38.4Very low46.5Very low158 Ų15893 Ų9378%0.77851%0.513SS*.SBendtrans-85.7-20-176.7-76.8-175.76500115.3L292 H293M290-L292 PolarHBondContact O-N 3.46Å; M290-H293 PolarHBondContact O-N 3.04Å
291E46.7Very low47.6Very low80 Ų8089.2 Ų89.237%0.37449%0.493SS..Hα-helixtrans-73-22.8-157.5-60.2-163.4152.200116.5H293 Y294 V295E291-H293 PolarHBondContact O-N 3.22Å; E291-Y294 WeakPolarHBondContact O-CB 3.31Å; E291-Y294 PolarHBondContact O-N 3.08Å; E291-V295 PolarHBondContact O-N 2.9Å
292L47.5Very low49Very low130 Ų13085.4 Ų85.468%0.68148%0.478SS*.Hα-helixtrans-63-26.9178.4-115.3157.4000112.4M290 A296 F394M290-L292 PolarHBondContact O-N 3.46Å; L292-A296 WeakPolarHBondContact O-CB 3.5Å; L292-A296 PolarHBondContact O-N 2.84Å; L292-F394 HydrophobicContact CD2-CE2 4.02Å
293H53.1Low50.3Low114 Ų11482.7 Ų82.753%0.52847%0.467SS..Hα-helixtrans-71.6-42.9172.8-133.378.7000111.4M290 E291 A296 E297M290-H293 PolarHBondContact O-N 3.04Å; E291-H293 PolarHBondContact O-N 3.22Å; H293-A296 PolarHBondContact O-N 2.7Å; H293-E297 IonicContact CD2-OE1 2.69Å; H293-E297 PolarHBondContact CD2-OE1 3.29Å; H293-E297 WeakPolarHBondContact O-CG 3.3Å; H293-E297 PolarHBondContact O-N 3.44Å
294Y56.3Low51.3Low93 Ų9378.6 Ų78.637%0.36543%0.433SS..Hα-helixtrans-63.1-45.7-176.9-127.5-94.1000112.2I248 A251 E291 A296 E297 V298I248-Y294 VanDerWaalsContact CG1-OH 3.25Å; I248-Y294 WeakPolarHBondContact CG1-OH 3.46Å; A251-Y294 HydrophobicContact CB-CE1 4.36Å; E291-Y294 WeakPolarHBondContact O-CB 3.31Å; E291-Y294 PolarHBondContact O-N 3.08Å; Y294-A296 VanDerWaalsContact C-N 3.32Å; Y294-A296 PolarHBondContact O-N 2.67Å; Y294-E297 PolarHBondContact O-N 2.71Å; Y294-V298 WeakPolarHBondContact O-CG2 3.32Å; Y294-V298 PolarHBondContact O-N 3.37Å
295V57.8Low52.9Low63 Ų6375.1 Ų75.138%0.38242%0.417SS..Hα-helixtrans-63.2-40176.1179.10000111.1E291 I299E291-V295 PolarHBondContact O-N 2.9Å; V295-I299 HydrophobicContact CG1-CD1 3.85Å; V295-I299 WeakPolarHBondContact O-CB 3.42Å; V295-I299 VanDerWaalsContact O-CG1 3.27Å; V295-I299 WeakPolarHBondContact O-CG1 3.47Å; V295-I299 PolarHBondContact O-N 3.49Å
296A63.2Low54.2Low5 Ų574.8 Ų74.84%0.04142%0.419CS..Hα-helixtrans-66.1-42.5176.600000112.1L292 H293 Y294 I299 C300L292-A296 WeakPolarHBondContact O-CB 3.5Å; L292-A296 PolarHBondContact O-N 2.84Å; H293-A296 PolarHBondContact O-N 2.7Å; Y294-A296 VanDerWaalsContact C-N 3.32Å; Y294-A296 PolarHBondContact O-N 2.67Å; A296-I299 PolarHBondContact O-N 3.06Å; A296-C300 WeakPolarHBondContact O-CB 3.31Å; A296-C300 PolarHBondContact O-N 3.01Å; A296-C300 PolarHBondContact O-SG 2.86Å
297E67.1Low55.4Low110 Ų11070.5 Ų70.551%0.51439%0.391SS..Hα-helixtrans-63.8-44.8176.4-77.1-171.117500112.1H293 Y294 C300 F301H293-E297 IonicContact CD2-OE1 2.69Å; H293-E297 PolarHBondContact CD2-OE1 3.29Å; H293-E297 WeakPolarHBondContact O-CG 3.3Å; H293-E297 PolarHBondContact O-N 3.44Å; Y294-E297 PolarHBondContact O-N 2.71Å; E297-C300 PolarHBondContact O-N 3.31Å; E297-F301 WeakPolarHBondContact O-CB 3.48Å; E297-F301 PolarHBondContact O-N 2.88Å
298V66.7Low56.6Low24 Ų2469.7 Ų69.715%0.14538%0.378CS..Hα-helixtrans-59.9-49.5174.9168.20000111L255 Y294 C300 F301 S302L255-V298 HydrophobicContact CD1-CB 4.1Å; L255-V298 HydrophobicContact CD1-CG1 3.44Å; L255-V298 VanDerWaalsContact CD1-CG1 3.44Å; L255-V298 HydrophobicContact CD1-CG2 3.66Å; L255-V298 HydrophobicContact CD2-CG1 4.01Å; L255-V298 HydrophobicContact CG-CG1 4.18Å; Y294-V298 WeakPolarHBondContact O-CG2 3.32Å; Y294-V298 PolarHBondContact O-N 3.37Å; V298-C300 VanDerWaalsContact C-N 3.26Å; V298-C300 PolarHBondContact O-N 3.01Å; V298-F301 PolarHBondContact O-N 2.9Å; V298-F301 VanDerWaalsContact O-N 3.13Å; V298-S302 PolarHBondContact O-N 3.2Å; V298-S302 PolarHBondContact O-OG 3.34Å
299I64.8Low57.9Low48 Ų4868 Ų6825%0.24636%0.363CS..Hα-helixtrans-58.9-41.7178.1-71.6170.2000110.3V295 A296 I303V295-I299 HydrophobicContact CG1-CD1 3.85Å; V295-I299 WeakPolarHBondContact O-CB 3.42Å; V295-I299 VanDerWaalsContact O-CG1 3.27Å; V295-I299 WeakPolarHBondContact O-CG1 3.47Å; V295-I299 PolarHBondContact O-N 3.49Å; A296-I299 PolarHBondContact O-N 3.06Å; I299-I303 HydrophobicContact CG2-CD1 3.67Å; I299-I303 HydrophobicContact CG2-CG1 4.45Å; I299-I303 WeakPolarHBondContact O-CB 3.49Å; I299-I303 VanDerWaalsContact O-CG1 3.27Å; I299-I303 WeakPolarHBondContact O-CG1 3.37Å; I299-I303 PolarHBondContact O-N 2.9Å
300C65.8Low58.8Low9 Ų966.3 Ų66.36%0.06135%0.348CS..Hα-helixtrans-64.4-41.3176-68.10000112.5A296 E297 V298 T304 K401A296-C300 WeakPolarHBondContact O-CB 3.31Å; A296-C300 PolarHBondContact O-N 3.01Å; A296-C300 PolarHBondContact O-SG 2.86Å; E297-C300 PolarHBondContact O-N 3.31Å; V298-C300 VanDerWaalsContact C-N 3.26Å; V298-C300 PolarHBondContact O-N 3.01Å; C300-T304 VanDerWaalsContact O-CB 3.26Å; C300-T304 WeakPolarHBondContact O-CB 3.46Å; C300-T304 PolarHBondContact O-N 3.06Å; C300-T304 PolarHBondContact O-OG1 3.31Å; C300-K401 VanDerWaalsContact SG-CB 3.52Å
301F64.6Low59.3Low93 Ų9361.2 Ų61.241%0.40832%0.324SS..Hα-helixtrans-66.4-46177.7-169.2-92.2000111.3F252 E297 V298 T304 F305F252-F301 HydrophobicContact CD2-CD1 4.04Å; F252-F301 HydrophobicContact CD2-CE1 4.19Å; F252-F301 AromaticContact CE2-CD1 3.65Å; F252-F301 HydrophobicContact CE2-CD1 3.65Å; F252-F301 AromaticContact CE2-CE1 3.76Å; F252-F301 HydrophobicContact CE2-CE1 3.76Å; F252-F301 HydrophobicContact CZ-CE1 4.24Å; E297-F301 WeakPolarHBondContact O-CB 3.48Å; E297-F301 PolarHBondContact O-N 2.88Å; V298-F301 PolarHBondContact O-N 2.9Å; V298-F301 VanDerWaalsContact O-N 3.13Å; F301-T304 PolarHBondContact O-N 3.04Å; F301-F305 VanDerWaalsContact O-CB 3.3Å; F301-F305 WeakPolarHBondContact O-CB 3.48Å; F301-F305 PolarHBondContact O-N 2.66Å
302S63.2Low59.5Low32 Ų3264.8 Ų64.822%0.22434%0.338CS..Hα-helixtrans-62.2-45.5176.4-61.20000112.7V298 F305 A306V298-S302 PolarHBondContact O-N 3.2Å; V298-S302 PolarHBondContact O-OG 3.34Å; S302-F305 PolarHBondContact O-N 3.27Å; S302-A306 WeakPolarHBondContact O-CB 3.49Å; S302-A306 PolarHBondContact O-N 3.11Å
303I63.4Low59.6Low51 Ų5164 Ų6426%0.26234%0.342SS..Hα-helixtrans-64.2-42.7176.8-70169.9000110.6I299 A306 C307 C402I299-I303 HydrophobicContact CG2-CD1 3.67Å; I299-I303 HydrophobicContact CG2-CG1 4.45Å; I299-I303 WeakPolarHBondContact O-CB 3.49Å; I299-I303 VanDerWaalsContact O-CG1 3.27Å; I299-I303 WeakPolarHBondContact O-CG1 3.37Å; I299-I303 PolarHBondContact O-N 2.9Å; I303-A306 PolarHBondContact O-N 3.4Å; I303-C307 PolarHBondContact O-N 3.22Å; I303-C307 PolarHBondContact O-SG 3.03Å; I303-C402 HydrophobicContact CG2-CB 4.04Å
304T60.7Low59.4Low2 Ų262.9 Ų62.91%0.01235%0.348CS..Hα-helixtrans-64.1-46.4177-56.90000111.1C300 F301 A306 C307 I308 Y405 L406 V409C300-T304 VanDerWaalsContact O-CB 3.26Å; C300-T304 WeakPolarHBondContact O-CB 3.46Å; C300-T304 PolarHBondContact O-N 3.06Å; C300-T304 PolarHBondContact O-OG1 3.31Å; F301-T304 PolarHBondContact O-N 3.04Å; T304-A306 VanDerWaalsContact C-N 3.32Å; T304-A306 PolarHBondContact O-N 2.82Å; T304-C307 WeakPolarHBondContact O-CB 3.43Å; T304-C307 PolarHBondContact O-N 3.04Å; T304-C307 VanDerWaalsContact O-N 3.09Å; T304-I308 HydrophobicContact CG2-CD1 3.78Å; T304-I308 HydrophobicContact CG2-CG1 4.3Å; T304-I308 WeakPolarHBondContact O-CG1 3.45Å; T304-I308 PolarHBondContact O-N 3.14Å; T304-Y405 HydrophobicContact CG2-CD1 3.35Å; T304-Y405 HydrophobicContact CG2-CE1 3.62Å; T304-Y405 HydrophobicContact CG2-CG 4.36Å; T304-L406 HydrophobicContact CG2-CD2 3.82Å; T304-L406 HydrophobicContact CG2-CG 4.28Å; T304-V409 HydrophobicContact CG2-CG2 4.48Å
305F65.8Low58.5Low124 Ų12462.7 Ų62.754%0.54436%0.359SS..Hα-helixtrans-61.1-41.9179.3-168.3-89.3000111.4F301 S302 C307 I308 A309F301-F305 VanDerWaalsContact O-CB 3.3Å; F301-F305 WeakPolarHBondContact O-CB 3.48Å; F301-F305 PolarHBondContact O-N 2.66Å; S302-F305 PolarHBondContact O-N 3.27Å; F305-C307 PolarHBondContact O-N 3.4Å; F305-I308 PolarHBondContact O-N 2.94Å; F305-A309 WeakPolarHBondContact O-CB 3.32Å; F305-A309 PolarHBondContact O-N 3.31Å
306A60.3Low57.5Low55 Ų5562.4 Ų62.446%0.45537%0.369SS..Hα-helixtrans-60.7-42.3172.600000112.3S302 I303 T304 A309 V310S302-A306 WeakPolarHBondContact O-CB 3.49Å; S302-A306 PolarHBondContact O-N 3.11Å; I303-A306 PolarHBondContact O-N 3.4Å; T304-A306 VanDerWaalsContact C-N 3.32Å; T304-A306 PolarHBondContact O-N 2.82Å; A306-A309 PolarHBondContact O-N 3.48Å; A306-V310 WeakPolarHBondContact O-CG2 3.26Å; A306-V310 PolarHBondContact O-N 3.47Å; A306-V310 VanDerWaalsContact O-N 3.07Å
307C57.3Low56.2Low27 Ų2767.8 Ų67.818%0.18241%0.407CS..Hα-helixtrans-63.8-42.2174.6-67.90000112.4I303 T304 F305 V310 L311 L406I303-C307 PolarHBondContact O-N 3.22Å; I303-C307 PolarHBondContact O-SG 3.03Å; T304-C307 WeakPolarHBondContact O-CB 3.43Å; T304-C307 PolarHBondContact O-N 3.04Å; T304-C307 VanDerWaalsContact O-N 3.09Å; F305-C307 PolarHBondContact O-N 3.4Å; C307-V310 PolarHBondContact O-N 2.96Å; C307-L311 WeakPolarHBondContact O-CG 3.32Å; C307-L311 PolarHBondContact O-N 3.35Å; C307-L406 HydrophobicContact CB-CD1 4.23Å; C307-L406 HydrophobicContact CB-CD2 3.94Å
308I58.6Low54.7Low50 Ų5068.7 Ų68.726%0.25643%0.425SS..Hα-helixtrans-65.1-42.5177.4-68.9170.7000110.9T304 F305 V310 L311 F312 V409T304-I308 HydrophobicContact CG2-CD1 3.78Å; T304-I308 HydrophobicContact CG2-CG1 4.3Å; T304-I308 WeakPolarHBondContact O-CG1 3.45Å; T304-I308 PolarHBondContact O-N 3.14Å; F305-I308 PolarHBondContact O-N 2.94Å; I308-V310 VanDerWaalsContact C-N 3.35Å; I308-V310 PolarHBondContact O-N 3.33Å; I308-L311 WeakPolarHBondContact O-CB 3.34Å; I308-L311 PolarHBondContact O-N 3.47Å; I308-L311 VanDerWaalsContact O-N 3.16Å; I308-F312 HydrophobicContact CG2-CD2 3.78Å; I308-F312 HydrophobicContact CG2-CE2 3.9Å; I308-F312 WeakPolarHBondContact O-CD2 3.23Å; I308-F312 PolarHBondContact O-N 2.87Å; I308-V409 HydrophobicContact CD1-CG2 4.49Å
309A57.5Low53Low44 Ų4471.3 Ų71.336%0.36446%0.457SS..Hα-helixtrans-59.8-44.1175.600000111.8F305 A306 L311 F312 C313F305-A309 WeakPolarHBondContact O-CB 3.32Å; F305-A309 PolarHBondContact O-N 3.31Å; A306-A309 PolarHBondContact O-N 3.48Å; A309-L311 VanDerWaalsContact C-N 3.34Å; A309-L311 PolarHBondContact O-N 2.96Å; A309-F312 PolarHBondContact O-N 3.42Å; A309-C313 WeakPolarHBondContact O-CB 3.29Å; A309-C313 PolarHBondContact O-N 3.41Å; A309-C313 PolarHBondContact O-SG 2.86Å
310V56Low51.4Low81 Ų8178.7 Ų78.749%0.49149%0.487SS..Hα-helixtrans-61.6-39.9174.1170.80000111.8A306 C307 I308 S314A306-V310 WeakPolarHBondContact O-CG2 3.26Å; A306-V310 PolarHBondContact O-N 3.47Å; A306-V310 VanDerWaalsContact O-N 3.07Å; C307-V310 PolarHBondContact O-N 2.96Å; I308-V310 VanDerWaalsContact C-N 3.35Å; I308-V310 PolarHBondContact O-N 3.33Å; V310-S314 VanDerWaalsContact O-CB 3.27Å; V310-S314 WeakPolarHBondContact O-CB 3.4Å; V310-S314 PolarHBondContact O-N 2.88Å; V310-S314 PolarHBondContact O-OG 3.49Å
311L49.6Very low49.8Very low51 Ų5188.2 Ų88.227%0.26753%0.527SS..Hα-helixtrans-63.5-45.4175.7-72.2170.8000112.1C307 I308 A309 S314 S315 F421C307-L311 WeakPolarHBondContact O-CG 3.32Å; C307-L311 PolarHBondContact O-N 3.35Å; I308-L311 WeakPolarHBondContact O-CB 3.34Å; I308-L311 PolarHBondContact O-N 3.47Å; I308-L311 VanDerWaalsContact O-N 3.16Å; A309-L311 VanDerWaalsContact C-N 3.34Å; A309-L311 PolarHBondContact O-N 2.96Å; L311-S314 PolarHBondContact O-N 3.16Å; L311-S315 PolarHBondContact O-N 3.44Å; L311-F421 HydrophobicContact CD2-CD2 4.42Å; L311-F421 HydrophobicContact CD2-CE1 4.42Å; L311-F421 HydrophobicContact CD2-CE2 3.87Å; L311-F421 HydrophobicContact CD2-CZ 3.87Å; L311-F421 HydrophobicContact CG-CZ 4.35Å
312F49.3Very low48.3Very low155 Ų15588.7 Ų88.768%0.6855%0.549SS*.Hα-helixtrans-64.7-46.3177.5-89.5-80.9000112I308 A309 S314 S315I308-F312 HydrophobicContact CG2-CD2 3.78Å; I308-F312 HydrophobicContact CG2-CE2 3.9Å; I308-F312 WeakPolarHBondContact O-CD2 3.23Å; I308-F312 PolarHBondContact O-N 2.87Å; A309-F312 PolarHBondContact O-N 3.42Å; F312-S314 VanDerWaalsContact C-N 3.27Å; F312-S314 PolarHBondContact O-N 2.95Å; F312-S315 PolarHBondContact O-N 2.9Å; F312-S315 PolarHBondContact O-OG 3.16Å
313C49.8Very low46.8Very low112 Ų11292.2 Ų92.276%0.75758%0.58SS**Hα-helixtrans-62.1-31.4175.9-70.70000113.4A309A309-C313 WeakPolarHBondContact O-CB 3.29Å; A309-C313 PolarHBondContact O-N 3.41Å; A309-C313 PolarHBondContact O-SG 2.86Å
314S48.9Very low45.1Very low92 Ų9299.7 Ų99.764%0.64361%0.611SS**Hα-helixtrans-80.1-13.9179.4-56.30000113.9V310 L311 F312 G316V310-S314 VanDerWaalsContact O-CB 3.27Å; V310-S314 WeakPolarHBondContact O-CB 3.4Å; V310-S314 PolarHBondContact O-N 2.88Å; V310-S314 PolarHBondContact O-OG 3.49Å; L311-S314 PolarHBondContact O-N 3.16Å; F312-S314 VanDerWaalsContact C-N 3.27Å; F312-S314 PolarHBondContact O-N 2.95Å; S314-G316 VanDerWaalsContact C-N 3.25Å; S314-G316 PolarHBondContact O-N 3.37Å
315S38.2Very low43.7Very low88 Ų88105.7 Ų105.762%0.61565%0.647SS**THydrogen-bonded Turntrans-82.86.1-176.969.50000114.8L311 F312 S317L311-S315 PolarHBondContact O-N 3.44Å; F312-S315 PolarHBondContact O-N 2.9Å; F312-S315 PolarHBondContact O-OG 3.16Å; S315-S317 PolarHBondContact O-N 3.47Å
316G37.1Very low42Very low57 Ų57109.1 Ų109.159%0.58866%0.661SS**  trans-70.1117.1176.200000113.4S314S314-G316 VanDerWaalsContact C-N 3.25Å; S314-G316 PolarHBondContact O-N 3.37Å
317S35.9Very low40.5Very low119 Ų119111.8 Ų111.883%0.83268%0.675SS**SBendtrans84.176.7168.377.30000119.1S315S315-S317 PolarHBondContact O-N 3.47Å
318S35.4Very low39Very low129 Ų129114.5 Ų114.590%0.90270%0.7SS**  -172.4149.9126.7450000110.5
319G31.4Very low37.8Very low78 Ų78120.2 Ų120.280%0.80473%0.725SS**  trans111.566.2177.800000115.7
320K30.4Very low36.5Very low204 Ų204125.6 Ų125.689%0.88775%0.747SS**  trans-84.2136.6157.8-76.7-179.6176.7176.10109.2
321K33.2Very low35.3Very low208 Ų208127.3 Ų127.390%0.90476%0.758SS**  trans99.3146.7172.2-58.4176.6178-178.90116.1
322A32.9Very low34.5Very low103 Ų103132.2 Ų132.285%0.85178%0.779SS**  trans75.184.9171.500000118.8
323A30.5Very low33.7Very low107 Ų107132.4 Ų132.488%0.88478%0.783SS**  trans175.384.3130.800000111.7
324K27.5Very low32.9Very low208 Ų208135.1 Ų135.190%0.90478%0.784SS**  trans-97.3136.9154.6-90.3-175.5170.6-175.60107.2
325V31.7Very low32.1Very low127 Ų127134 Ų13477%0.7778%0.781SS**  trans164131.2143.1150.60000110.7
326K30.3Very low31.8Very low196 Ų196135.8 Ų135.885%0.85279%0.791SS**  trans63.1133.4166.6-79.2169.9176.8-177.30117.7
327C27.9Very low31.5Very low111 Ų111141.8 Ų141.875%0.7580%0.801SS**  cis-126.2147.1-0.4-66.80000108.3
328A27.6Very low31.5Very low84 Ų84144.9 Ų144.969%0.69480%0.803SS**  50123.270.600000111.4
329E32Very low31.4Very low170 Ų170145.1 Ų145.179%0.79480%0.799SS**  cis-165.7163.138.5-133.8152.1-130.800112.2
330L30Very low31.6Very low157 Ų157147 Ų14782%0.82280%0.796SS**  trans72.2132.3165.5-54.4167.2000118.1
331V31.3Very low31.6Very low118 Ų118142.6 Ų142.672%0.71579%0.791SS**  cis-145.8156.1-3140.20000110.9
332Q32.5Very low31.6Very low153 Ų153141.2 Ų141.272%0.71579%0.788SS**  trans-38.3163.4171.2-63.3165.1-88.600117.4
333E32.9Very low31.7Very low160 Ų160140.2 Ų140.275%0.74878%0.78SS**  cis-160.3-169.3-12.5-111.8174.8119.600107.9
334E34Very low31.7Very low168 Ų168141.4 Ų141.479%0.78578%0.778SS**  cis-147.6-128.918.1-156.4-134.174.200112.3
335A31.1Very low31.9Very low70 Ų70136.5 Ų136.558%0.57977%0.765SS**  trans-103.2168.6-172.400000113.3
336C33Very low31.9Very low124 Ų124136.8 Ų136.884%0.83877%0.767SS**  cis-153.2167.732.8-148.40000115.9
337K30.8Very low31.7Very low183 Ų183133.9 Ų133.980%0.79676%0.761SS**  trans-78.9156.1-168.5-61.8148.7-179.5166.40111.2
338Q34.6Very low32.1Very low185 Ų185135 Ų13586%0.86476%0.764SS**  -165.7116.667.2-72.3171.34.500113.8
339V34.6Very low32.2Very low134 Ų134139.7 Ų139.781%0.81277%0.772SS**  24146.5118.5-173.90000120
340P35.6Very low32Very low116 Ų116140.4 Ų140.475%0.75377%0.772SS**  cis-134-174.4-13.236.7-17.3000116.9
341S30.5Very low32.1Very low112 Ų112144.2 Ų144.278%0.78378%0.776SS**  trans86.481.6146.2-171.90000120.1
342Q32.6Very low32.1Very low180 Ų180147.7 Ų147.784%0.84178%0.781SS**  trans-137.4152.2147.9-73.6-165-18.100112.2
343A35Very low32Very low81 Ų81145.6 Ų145.667%0.66978%0.783SS**  trans-67.9166.4-178.900000112.4V345A343-V345 PolarHBondContact O-N 3.2Å
344P30.5Very low31.9Very low132 Ų132145.9 Ų145.986%0.85779%0.787SS**  trans-65.4113.7-17526.6-34.3000111.7
345V31Very low31.9Very low105 Ų105146.1 Ų146.164%0.63679%0.788SS**  trans-75.5121.5173.1176.30000108.8A343 N347A343-V345 PolarHBondContact O-N 3.2Å; V345-N347 PolarHBondContact O-N 3.15Å
346V32Very low32Very low134 Ų134148.7 Ų148.781%0.81280%0.801SS**  trans-71.9110.6161.7177.10000106.8V348V346-V348 PolarHBondContact O-N 3.06Å
347N27.1Very low31.9Very low134 Ų134146.8 Ų146.872%0.71780%0.803SS**  trans-69.4101.4-175-90.9-23.4000111.6V345V345-N347 PolarHBondContact O-N 3.15Å
348V35.2Very low31.8Very low134 Ų134143.5 Ų143.581%0.81280%0.803SS**  trans-100.4114.9142.2-179.80000105.1V346 K350V346-V348 PolarHBondContact O-N 3.06Å; V348-K350 PolarHBondContact O-N 2.7Å
349Q30.7Very low31.8Very low184 Ų184139.5 Ų139.586%0.8679%0.793SS**  trans-56.9131-158.1-85.1157.1-83.700114.9
350K28Very low31.5Very low184 Ų184142.2 Ų142.280%0.880%0.797SS**  trans-156.5114.1164.8-132.3176.3-170170.30112V348V348-K350 PolarHBondContact O-N 2.7Å
351R30.5Very low31.2Very low237 Ų237142.2 Ų142.289%0.89480%0.8SS**  trans175132.5159.9-97.6159.2-167.7-139.63.3105.9
352K32.2Very low31Very low191 Ų191147.1 Ų147.183%0.8380%0.803SS**  cis123.8104.623-100.6-160.5173.5-169.20108.8
353S30.2Very low30.7Very low109 Ų109147.2 Ų147.276%0.76280%0.801SS**  trans66.5115.2140.763.20000123.2
354M31.2Very low30.5Very low167 Ų167149.2 Ų149.282%0.82380%0.8SS**  -159.9124.1118.2-103.5172.2159.300107.8
355Q33Very low30.3Very low173 Ų173150.9 Ų150.981%0.80880%0.796SS**  52.5129.7105.2-67-179.5-14.400114.4
356S33.4Very low30.1Very low123 Ų123151.7 Ų151.786%0.8681%0.807SS**  cis-171.5147.32.849.80000111.1
357G31.1Very low30Very low84 Ų84154.1 Ų154.187%0.86681%0.809SS**  trans152.4137.2169.300000114.3
358S28.7Very low30Very low115 Ų115151.6 Ų151.680%0.80482%0.815SS**  trans-147.4178.8-170.562.70000110.8
359P34.2Very low29.7Very low101 Ų101150.2 Ų150.266%0.65681%0.811SS**  cis-131.9-168.5-38.730.5-9.5000113
360Q28.4Very low29.7Very low190 Ų190146.4 Ų146.489%0.88880%0.803SS**  trans81.1144.6168.2-53.2172.4-2100115.4
361S29.9Very low29.8Very low117 Ų117147.5 Ų147.582%0.81881%0.808SS**  cis-143.7179.510.761.30000113.6
362Y25.6Very low29.9Very low214 Ų214145.3 Ų145.384%0.83981%0.805SS**  trans-89.2150.3-173.8-69.1-116.2000113.6
363F27.1Very low29.9Very low183 Ų183143 Ų14380%0.80380%0.797SS**  171.9154.2105.7-119.3-100.2000115.2
364N29.8Very low30Very low123 Ų123142.7 Ų142.766%0.65880%0.795SS**  trans66.699.1160.5-78-7.6000124.5
365E25.9Very low30.1Very low166 Ų166144.3 Ų144.378%0.77680%0.8SS**  36.9117111.9-60.5-171.2152.900121.6
366S28.9Very low30.2Very low122 Ų122142.9 Ų142.985%0.85380%0.796SS**  -146.8127.9117.855.10000110.3
367Q28.6Very low30.4Very low186 Ų186145 Ų14587%0.86979%0.792SS**  trans-96.8116.9-179.7-68.2-169.37.200111.2
368G28.1Very low31Very low81 Ų81146.5 Ų146.584%0.83579%0.786SS**  trans-94.7111.1161.100000110.2
369S28.5Very low31.7Very low105 Ų105146.1 Ų146.173%0.73478%0.781SS**PPolyproline II helixtrans-79153.1-177.676.90000113
370P31Very low32Very low104 Ų104148.2 Ų148.268%0.67580%0.795SS**PPolyproline II helixtrans-81.9141.6-171.532.2-35000113.6F372P370-F372 PolarHBondContact O-N 2.93Å
371F30.4Very low32.9Very low207 Ų207141.5 Ų141.591%0.90878%0.777SS**PPolyproline II helixtrans-62116.8172.9-106.9-100.8000111.7
372F32.2Very low33.6Very low190 Ų190141.9 Ų141.983%0.83378%0.776SS**PPolyproline II helixtrans-92.8120.1165.9-96.3-89.6000110.5P370P370-F372 PolarHBondContact O-N 2.93Å
373Q31.3Very low34.4Very low143 Ų143134.7 Ų134.767%0.66876%0.761SS**PPolyproline II helixtrans-78.2125.9167.3-72-171.4-33.900110.3
374S33Very low35.5Very low103 Ų103131.9 Ų131.972%0.7276%0.759SS**PPolyproline II helixtrans-88.7143.6166.955.50000110.7M376S374-M376 PolarHBondContact O-N 3Å
375E32.6Very low36.8Very low200 Ų200132 Ų13294%0.93576%0.755SS**PPolyproline II helixtrans-67.2118.8179.6-62.9175.4124.400110.9
376M35.3Very low38.9Very low144 Ų144133 Ų13371%0.70976%0.757SS**  trans-105.2141.3165.5-78.2-15716900111.5S374 L637S374-M376 PolarHBondContact O-N 3Å; M376-L637 HydrophobicContact CE-CD2 4.2Å
377E38.2Very low41.2Very low167 Ų167130.8 Ų130.878%0.7874%0.735SS**PPolyproline II helixtrans-62.3143179-69.2-172.6152.900111.6
378P43.9Very low43.7Very low116 Ų116125.4 Ų125.475%0.75372%0.715SS**PPolyproline II helixtrans-66.1140.8177.127.8-34.6000111
379P42.3Very low46.1Very low106 Ų106126.1 Ų126.169%0.68871%0.707SS**PPolyproline II helixtrans-60.1153.7178.924.5-34000112G381P379-G381 VanDerWaalsContact C-N 3.33Å; P379-G381 PolarHBondContact O-N 3.16Å
380P41.2Very low48.6Very low145 Ų145126.4 Ų126.494%0.94270%0.704SS**SBendtrans-75.979.1-168.931-36.7000113.1
381G46.1Very low50.6Low50 Ų50124.1 Ų124.152%0.51569%0.685SS.*SBendtrans117.3154.5169.500000113.4P379 A383P379-G381 VanDerWaalsContact C-N 3.33Å; P379-G381 PolarHBondContact O-N 3.16Å; G381-A383 PolarHBondContact O-N 2.92Å
382P44.7Very low52.8Low124 Ų124119.4 Ų119.481%0.80567%0.665SS**  trans-70.9101.7176.429.9-32.9000109.2V384P382-V384 PolarHBondContact O-N 2.81Å; P382-V384 VanDerWaalsContact O-N 3.09Å
383A43.9Very low55.1Low64 Ų64113.2 Ų113.253%0.52965%0.649SS.*  trans-58.9112.5155.700000106.9G381 H385G381-A383 PolarHBondContact O-N 2.92Å; A383-H385 PolarHBondContact O-CD2 3.19Å; A383-H385 PolarHBondContact O-N 3.17Å
384V48.8Very low57.2Low123 Ų123109.8 Ų109.875%0.74563%0.632SS**  trans-75.483.5173.5-179.30000106.4P382 K386P382-V384 PolarHBondContact O-N 2.81Å; P382-V384 VanDerWaalsContact O-N 3.09Å; V384-K386 PolarHBondContact O-N 3.22Å
385H57.9Low59.2Low125 Ų125107.3 Ų107.358%0.57961%0.611SS**  trans-62.6105.3174.6-62.3-75.6000108.2P272 A383P272-H385 HydrophobicContact CB-CB 3.97Å; P272-H385 VanDerWaalsContact CB-ND1 3.33Å; P272-H385 WeakPolarHBondContact CB-ND1 3.4Å; P272-H385 HydrophobicContact CG-CB 3.7Å; P272-H385 VanDerWaalsContact CG-CG 3.5Å; A383-H385 PolarHBondContact O-CD2 3.19Å; A383-H385 PolarHBondContact O-N 3.17Å
386K70.5Confident61.3Low187 Ų187102.3 Ų102.381%0.81359%0.591SS**PPolyproline II helixtrans-82.8129.4168.2-69.1-175.3175.3-1750107.7V384V384-K386 PolarHBondContact O-N 3.22Å
387L77Confident63.5Low76 Ų76100.3 Ų100.340%0.39858%0.58SS.*PPolyproline II helixtrans-58.5147.7161.7-65.8166.1000108.6Q391 E392 L395L387-Q391 HydrophobicContact CB-CB 4.18Å; L387-Q391 HydrophobicContact CD2-CB 4.14Å; L387-E392 HydrophobicContact CB-CB 4.33Å; L387-L395 HydrophobicContact CD1-CD1 3.72Å; L387-L395 HydrophobicContact CD2-CD1 4.09Å
388T79.9Confident65.3Low74 Ų7492.6 Ų92.645%0.45454%0.544SS..PPolyproline II helixtrans-67.8155.5165.569.90000109.2V390 Q391 E392T388-V390 PolarHBondContact O-N 2.85Å; T388-V390 VanDerWaalsContact O-N 3.16Å; T388-Q391 PolarHBondContact O-N 3.13Å; T388-Q391 WeakPolarHBondContact OG1-CG 3.21Å; T388-Q391 PolarHBondContact OG1-N 3.24Å; T388-Q391 VanDerWaalsContact OG1-N 3.15Å; T388-Q391 PolarHBondContact OG1-OE1 3.47Å; T388-E392 PolarHBondContact O-N 3.4Å
389S79.8Confident66.8Low95 Ų9590.7 Ų90.766%0.66453%0.527SS*.Hα-helixtrans-57.5-30.2176.248.40000112.6A393S389-A393 VanDerWaalsContact O-CB 3.25Å; S389-A393 WeakPolarHBondContact O-CB 3.39Å; S389-A393 PolarHBondContact O-N 3.14Å
390V80Confident68.7Low111 Ų11187.4 Ų87.467%0.67351%0.512SS*.Hα-helixtrans-70-45.3174.6-176.90000111.3T388 A393 F394T388-V390 PolarHBondContact O-N 2.85Å; T388-V390 VanDerWaalsContact O-N 3.16Å; V390-A393 PolarHBondContact O-N 2.85Å; V390-F394 WeakPolarHBondContact O-CB 3.35Å; V390-F394 PolarHBondContact O-N 2.96Å
391Q74.2Confident70.5Confident56 Ų5683.6 Ų83.626%0.26248%0.481SS..Hα-helixtrans-63.4-41.5175-74168.8-25.900111.9L387 T388 F394 L395L387-Q391 HydrophobicContact CB-CB 4.18Å; L387-Q391 HydrophobicContact CD2-CB 4.14Å; T388-Q391 PolarHBondContact O-N 3.13Å; T388-Q391 WeakPolarHBondContact OG1-CG 3.21Å; T388-Q391 PolarHBondContact OG1-N 3.24Å; T388-Q391 VanDerWaalsContact OG1-N 3.15Å; T388-Q391 PolarHBondContact OG1-OE1 3.47Å; Q391-F394 PolarHBondContact O-N 3.16Å; Q391-L395 WeakPolarHBondContact O-CB 3.36Å; Q391-L395 PolarHBondContact O-N 2.99Å
392E75.9Confident71.6Confident108 Ų10881.4 Ų81.451%0.50546%0.458SS..Hα-helixtrans-66.9-40.3177-173.8169.8-166.300111.5L387 T388 N396L387-E392 HydrophobicContact CB-CB 4.33Å; T388-E392 PolarHBondContact O-N 3.4Å; E392-N396 WeakPolarHBondContact O-CB 3.45Å; E392-N396 PolarHBondContact O-N 3.39Å; E392-N396 PolarHBondContact O-ND2 2.74Å
393A80.3Confident73Confident60 Ų6078.7 Ų78.750%0.49643%0.433SS..Hα-helixtrans-62.4-47.7173.400000112S389 V390 N396 E397S389-A393 VanDerWaalsContact O-CB 3.25Å; S389-A393 WeakPolarHBondContact O-CB 3.39Å; S389-A393 PolarHBondContact O-N 3.14Å; V390-A393 PolarHBondContact O-N 2.85Å; A393-N396 PolarHBondContact O-N 3.22Å; A393-E397 PolarHBondContact O-N 2.87Å
394F74.6Confident74.4Confident71 Ų7181.2 Ų81.231%0.31143%0.434SS..Hα-helixtrans-61.1-45.7177.7178.7-104.7000112.4L292 V390 Q391 N396 E397 C398L292-F394 HydrophobicContact CD2-CE2 4.02Å; V390-F394 WeakPolarHBondContact O-CB 3.35Å; V390-F394 PolarHBondContact O-N 2.96Å; Q391-F394 PolarHBondContact O-N 3.16Å; F394-N396 VanDerWaalsContact C-N 3.31Å; F394-N396 PolarHBondContact O-N 3.02Å; F394-E397 PolarHBondContact O-N 3.26Å; F394-C398 PolarHBondContact O-N 3.39Å; F394-C398 PolarHBondContact O-SG 3.2Å
395L75.1Confident75.5Confident51 Ų5180.7 Ų80.727%0.26742%0.419SS..Hα-helixtrans-60.4-39.5174.8-86.5159.8000112.3W271 L387 Q391 L399W271-L395 HydrophobicContact CH2-CD2 4.25Å; W271-L395 HydrophobicContact CZ3-CD1 4.05Å; W271-L395 HydrophobicContact CZ3-CD2 4.08Å; L387-L395 HydrophobicContact CD1-CD1 3.72Å; L387-L395 HydrophobicContact CD2-CD1 4.09Å; Q391-L395 WeakPolarHBondContact O-CB 3.36Å; Q391-L395 PolarHBondContact O-N 2.99Å; L395-L399 WeakPolarHBondContact O-CB 3.3Å; L395-L399 VanDerWaalsContact O-CG 3.26Å; L395-L399 WeakPolarHBondContact O-CG 3.35Å; L395-L399 PolarHBondContact O-N 3.25Å
396N78.3Confident76Confident96 Ų9675.8 Ų75.851%0.51340%0.398SS..Hα-helixtrans-69.2-35.2175.5-78.4-59.6000112.5E392 A393 F394 G400E392-N396 WeakPolarHBondContact O-CB 3.45Å; E392-N396 PolarHBondContact O-N 3.39Å; E392-N396 PolarHBondContact O-ND2 2.74Å; A393-N396 PolarHBondContact O-N 3.22Å; F394-N396 VanDerWaalsContact C-N 3.31Å; F394-N396 PolarHBondContact O-N 3.02Å; N396-G400 PolarHBondContact O-N 2.93Å
397E81.2Confident76Confident102 Ų10272.4 Ų72.448%0.47739%0.385SS..Hα-helixtrans-65.7-48.9173.4-168.1-167.6142.800111.4A393 F394 L399 G400 K401A393-E397 PolarHBondContact O-N 2.87Å; F394-E397 PolarHBondContact O-N 3.26Å; E397-L399 PolarHBondContact O-N 3.41Å; E397-G400 WeakPolarHBondContact O-CA 3.48Å; E397-G400 PolarHBondContact O-N 2.92Å; E397-G400 VanDerWaalsContact O-N 3.08Å; E397-K401 PolarHBondContact O-N 3.48Å; E397-K401 VanDerWaalsContact OE1-CE 3.25Å; E397-K401 WeakPolarHBondContact OE1-CE 3.44Å; E397-K401 IonicContact OE1-NZ 2.64Å; E397-K401 PolarHBondContact OE1-NZ 2.93Å
398C75.3Confident75.7Confident4 Ų474 Ų743%0.02739%0.393CS..Hα-helixtrans-59.1-44.5175.3-71.40000111.7F394 G400 K401 C402F394-C398 PolarHBondContact O-N 3.39Å; F394-C398 PolarHBondContact O-SG 3.2Å; C398-G400 VanDerWaalsContact C-N 3.31Å; C398-G400 PolarHBondContact O-N 3.01Å; C398-K401 PolarHBondContact O-N 3.44Å; C398-C402 PolarHBondContact O-N 2.83Å; C398-C402 PolarHBondContact O-SG 2.92Å
399L76.6Confident75.3Confident77 Ų7772 Ų7240%0.40338%0.381SS..Hα-helixtrans-62.1-38.8173.6-76.3169.5000111.9L395 E397 C402 F403L395-L399 WeakPolarHBondContact O-CB 3.3Å; L395-L399 VanDerWaalsContact O-CG 3.26Å; L395-L399 WeakPolarHBondContact O-CG 3.35Å; L395-L399 PolarHBondContact O-N 3.25Å; E397-L399 PolarHBondContact O-N 3.41Å; L399-C402 WeakPolarHBondContact O-CB 3.46Å; L399-C402 PolarHBondContact O-N 3.38Å; L399-F403 WeakPolarHBondContact O-CD2 3.49Å; L399-F403 PolarHBondContact O-N 3.44Å
400G80.9Confident74.1Confident37 Ų3776.8 Ų76.838%0.38139%0.39SS..Hα-helixtrans-56.8-52.7172.900000112N396 E397 C398 C402 F403 E404N396-G400 PolarHBondContact O-N 2.93Å; E397-G400 WeakPolarHBondContact O-CA 3.48Å; E397-G400 PolarHBondContact O-N 2.92Å; E397-G400 VanDerWaalsContact O-N 3.08Å; C398-G400 VanDerWaalsContact C-N 3.31Å; C398-G400 PolarHBondContact O-N 3.01Å; G400-C402 PolarHBondContact O-N 3.32Å; G400-F403 PolarHBondContact O-N 2.9Å; G400-F403 VanDerWaalsContact O-N 3.13Å; G400-E404 PolarHBondContact O-N 3.21Å
401K79Confident72.9Confident64 Ų6475.6 Ų75.628%0.27839%0.392SS..Hα-helixtrans-61.4-38.9176.3-72.4175177.2170.40112.7C300 E397 C398 E404 Y405C300-K401 VanDerWaalsContact SG-CB 3.52Å; E397-K401 PolarHBondContact O-N 3.48Å; E397-K401 VanDerWaalsContact OE1-CE 3.25Å; E397-K401 WeakPolarHBondContact OE1-CE 3.44Å; E397-K401 IonicContact OE1-NZ 2.64Å; E397-K401 PolarHBondContact OE1-NZ 2.93Å; C398-K401 PolarHBondContact O-N 3.44Å; K401-E404 PolarHBondContact O-N 2.91Å; K401-Y405 WeakPolarHBondContact O-CB 3.3Å; K401-Y405 PolarHBondContact O-N 3.13Å
402C70.7Confident71.9Confident4 Ų475.5 Ų75.53%0.02740%0.395CS..Hα-helixtrans-60.7-44.5172-65.60000112I303 C398 L399 G400 Y405 L406I303-C402 HydrophobicContact CG2-CB 4.04Å; C398-C402 PolarHBondContact O-N 2.83Å; C398-C402 PolarHBondContact O-SG 2.92Å; L399-C402 WeakPolarHBondContact O-CB 3.46Å; L399-C402 PolarHBondContact O-N 3.38Å; G400-C402 PolarHBondContact O-N 3.32Å; C402-Y405 PolarHBondContact O-N 2.85Å; C402-L406 WeakPolarHBondContact O-CB 3.47Å; C402-L406 VanDerWaalsContact O-CG 3.28Å; C402-L406 WeakPolarHBondContact O-CG 3.49Å; C402-L406 PolarHBondContact O-N 2.99Å
403F72.6Confident70.9Confident68 Ų6880.6 Ų80.630%0.29842%0.416SS..Hα-helixtrans-68.2-34.1177.3-82.4-61.5000112.6L399 G400 Q407 I425L399-F403 WeakPolarHBondContact O-CD2 3.49Å; L399-F403 PolarHBondContact O-N 3.44Å; G400-F403 PolarHBondContact O-N 2.9Å; G400-F403 VanDerWaalsContact O-N 3.13Å; F403-Q407 VanDerWaalsContact O-CG 3.3Å; F403-Q407 WeakPolarHBondContact O-CG 3.1Å; F403-Q407 PolarHBondContact O-N 3.34Å; F403-Q407 VanDerWaalsContact O-N 3.07Å; F403-Q407 PolarHBondContact O-NE2 3.16Å; F403-I425 HydrophobicContact CE1-CD1 4.23Å; F403-I425 HydrophobicContact CZ-CG2 4.23Å
404E74.2Confident70Confident116 Ų11681.6 Ų81.654%0.54241%0.413SS..Hα-helixtrans-69.1-44.9174.3-171.7175.4177.600111.2G400 K401 L406 Q407 N408G400-E404 PolarHBondContact O-N 3.21Å; K401-E404 PolarHBondContact O-N 2.91Å; E404-L406 PolarHBondContact O-N 3.05Å; E404-Q407 WeakPolarHBondContact O-CB 3.36Å; E404-Q407 PolarHBondContact O-N 3.22Å; E404-Q407 VanDerWaalsContact O-N 3.14Å; E404-N408 PolarHBondContact O-N 3.09Å; E404-N408 PolarHBondContact O-ND2 2.9Å
405Y71.1Confident69.5Low112 Ų11285.5 Ų85.544%0.43943%0.432SS..Hα-helixtrans-59.3-48.2173.7-163.7-73.1000110.8T304 K401 C402 Q407 N408 V409T304-Y405 HydrophobicContact CG2-CD1 3.35Å; T304-Y405 HydrophobicContact CG2-CE1 3.62Å; T304-Y405 HydrophobicContact CG2-CG 4.36Å; K401-Y405 WeakPolarHBondContact O-CB 3.3Å; K401-Y405 PolarHBondContact O-N 3.13Å; C402-Y405 PolarHBondContact O-N 2.85Å; Y405-Q407 PolarHBondContact O-N 3.13Å; Y405-N408 CarbonylContact O-C 3.52Å; Y405-N408 WeakPolarHBondContact O-CA 3.4Å; Y405-N408 PolarHBondContact O-N 3.43Å; Y405-V409 HydrophobicContact CD1-CG2 3.77Å; Y405-V409 HydrophobicContact CE1-CG2 3.76Å; Y405-V409 WeakPolarHBondContact O-CG2 3.04Å; Y405-V409 PolarHBondContact O-N 2.99Å
406L68Low69.4Low23 Ų2388.1 Ų88.112%0.1245%0.45CS..Hα-helixtrans-61-28.7176.2-74.6169.2000113.7T304 C307 C402 E404T304-L406 HydrophobicContact CG2-CD2 3.82Å; T304-L406 HydrophobicContact CG2-CG 4.28Å; C307-L406 HydrophobicContact CB-CD1 4.23Å; C307-L406 HydrophobicContact CB-CD2 3.94Å; C402-L406 WeakPolarHBondContact O-CB 3.47Å; C402-L406 VanDerWaalsContact O-CG 3.28Å; C402-L406 WeakPolarHBondContact O-CG 3.49Å; C402-L406 PolarHBondContact O-N 2.99Å; E404-L406 PolarHBondContact O-N 3.05Å
407Q71Confident68.5Low116 Ų11686.6 Ų86.654%0.54244%0.444SS..Hα-helixtrans-73.2-37.7169.8-77.4164.97700112F403 E404 Y405 V409 L418F403-Q407 VanDerWaalsContact O-CG 3.3Å; F403-Q407 WeakPolarHBondContact O-CG 3.1Å; F403-Q407 PolarHBondContact O-N 3.34Å; F403-Q407 VanDerWaalsContact O-N 3.07Å; F403-Q407 PolarHBondContact O-NE2 3.16Å; E404-Q407 WeakPolarHBondContact O-CB 3.36Å; E404-Q407 PolarHBondContact O-N 3.22Å; E404-Q407 VanDerWaalsContact O-N 3.14Å; Y405-Q407 PolarHBondContact O-N 3.13Å; Q407-V409 VanDerWaalsContact C-N 3.29Å; Q407-V409 PolarHBondContact O-N 3.37Å; Q407-L418 HydrophobicContact CB-CD2 4.47Å; Q407-L418 HydrophobicContact CG-CD2 3.92Å
408N72Confident67.5Low108 Ų10884.4 Ų84.458%0.57844%0.436SS*.Hα-helixtrans-75.5-11.9177.6-72.1-32.3000113.8E404 Y405 K410E404-N408 PolarHBondContact O-N 3.09Å; E404-N408 PolarHBondContact O-ND2 2.9Å; Y405-N408 CarbonylContact O-C 3.52Å; Y405-N408 WeakPolarHBondContact O-CA 3.4Å; Y405-N408 PolarHBondContact O-N 3.43Å; N408-K410 PolarHBondContact O-N 2.84Å
409V69.7Low67.2Low34 Ų3490.4 Ų90.421%0.20646%0.463CS..  trans-69.877.7168.5-176.40000110.6T304 I308 Y405 Q407 A411 T412T304-V409 HydrophobicContact CG2-CG2 4.48Å; I308-V409 HydrophobicContact CD1-CG2 4.49Å; Y405-V409 HydrophobicContact CD1-CG2 3.77Å; Y405-V409 HydrophobicContact CE1-CG2 3.76Å; Y405-V409 WeakPolarHBondContact O-CG2 3.04Å; Y405-V409 PolarHBondContact O-N 2.99Å; Q407-V409 VanDerWaalsContact C-N 3.29Å; Q407-V409 PolarHBondContact O-N 3.37Å; V409-A411 HydrophobicContact CG1-CB 3.85Å; V409-A411 PolarHBondContact O-N 3.32Å; V409-T412 PolarHBondContact O-N 2.86Å
410K55Low67Low194 Ų19489.4 Ų89.484%0.84347%0.466SS*.THydrogen-bonded Turntrans-55.9-6173.1-68.8178.8179.4176.30114.6N408 T412N408-K410 PolarHBondContact O-N 2.84Å; K410-T412 VanDerWaalsContact C-N 3.26Å; K410-T412 PolarHBondContact O-N 3.42Å
411A55Low66.2Low87 Ų8790.7 Ų90.772%0.71946%0.461SS*.THydrogen-bonded Turntrans-68.9-19179.900000113.8V409 K413V409-A411 HydrophobicContact CG1-CB 3.85Å; V409-A411 PolarHBondContact O-N 3.32Å; A411-K413 PolarHBondContact O-N 3.12Å
412T53.4Low65.5Low54 Ų5492.5 Ų92.533%0.33147%0.469SS..  trans-91.196.7172.255.20000111V409 K410 N414 L418V409-T412 PolarHBondContact O-N 2.86Å; K410-T412 VanDerWaalsContact C-N 3.26Å; K410-T412 PolarHBondContact O-N 3.42Å; T412-N414 PolarHBondContact O-N 3.34Å; T412-L418 VanDerWaalsContact OG1-CD1 3.31Å; T412-L418 WeakPolarHBondContact OG1-CD1 3.45Å
413K54.1Low65.6Low215 Ų21595.9 Ų95.994%0.93549%0.491SS*.  trans-62.311.6174.5-70.5-172.7174.7-177.90115.1A411A411-K413 PolarHBondContact O-N 3.12Å
414N62.8Low65.4Low80 Ų8094 Ų9443%0.42849%0.488SS..  trans-132.280.4-171.3-160.8-19.9000109T412 T416 V417T412-N414 PolarHBondContact O-N 3.34Å; N414-T416 PolarHBondContact O-N 3.49Å; N414-T416 VanDerWaalsContact O-N 3.17Å; N414-T416 VanDerWaalsContact OD1-CB 3.28Å; N414-T416 WeakPolarHBondContact OD1-CB 3.45Å; N414-T416 PolarHBondContact OD1-OG1 3.32Å; N414-V417 HydrophobicContact CB-CB 4.36Å; N414-V417 HydrophobicContact CB-CG2 3.89Å; N414-V417 WeakPolarHBondContact O-CA 3.48Å; N414-V417 WeakPolarHBondContact O-CB 3.49Å; N414-V417 PolarHBondContact O-N 3.06Å
415E64.2Low65Low153 Ų15390.3 Ų90.372%0.71547%0.471SS*.Hα-helixtrans-54.8-32179.3-165.6165.9-171.200111.9V417 L418 Q419E415-V417 VanDerWaalsContact C-N 3.3Å; E415-V417 PolarHBondContact O-N 3.25Å; E415-L418 PolarHBondContact O-N 3.48Å; E415-Q419 WeakPolarHBondContact O-CG 3.39Å; E415-Q419 PolarHBondContact O-N 3.12Å
416T71.6Confident64.7Low107 Ų10792.7 Ų92.766%0.65648%0.48SS*.Hα-helixtrans-55.8-37.2169.6-5.60000113.8N414 A420N414-T416 PolarHBondContact O-N 3.49Å; N414-T416 VanDerWaalsContact O-N 3.17Å; N414-T416 VanDerWaalsContact OD1-CB 3.28Å; N414-T416 WeakPolarHBondContact OD1-CB 3.45Å; N414-T416 PolarHBondContact OD1-OG1 3.32Å; T416-A420 WeakPolarHBondContact O-CB 3.49Å; T416-A420 PolarHBondContact O-N 3.48Å
417V61Low64.6Low63 Ų6393.8 Ų93.838%0.38249%0.486SS..Hα-helixtrans-69.4-44.1176.3174.90000110.1N414 E415 Q419 A420 F421N414-V417 HydrophobicContact CB-CB 4.36Å; N414-V417 HydrophobicContact CB-CG2 3.89Å; N414-V417 WeakPolarHBondContact O-CA 3.48Å; N414-V417 WeakPolarHBondContact O-CB 3.49Å; N414-V417 PolarHBondContact O-N 3.06Å; E415-V417 VanDerWaalsContact C-N 3.3Å; E415-V417 PolarHBondContact O-N 3.25Å; V417-Q419 PolarHBondContact O-N 3.33Å; V417-A420 PolarHBondContact O-N 3.3Å; V417-F421 WeakPolarHBondContact O-CB 3.41Å; V417-F421 PolarHBondContact O-N 3.46Å
418L59.4Low64.2Low57 Ų5794.7 Ų94.730%0.29849%0.492SS..Hα-helixtrans-62.8-42.9178.5-131.599.4000111.6Q407 T412 E415 A420 F421 K422Q407-L418 HydrophobicContact CB-CD2 4.47Å; Q407-L418 HydrophobicContact CG-CD2 3.92Å; T412-L418 VanDerWaalsContact OG1-CD1 3.31Å; T412-L418 WeakPolarHBondContact OG1-CD1 3.45Å; E415-L418 PolarHBondContact O-N 3.48Å; L418-A420 VanDerWaalsContact C-N 3.33Å; L418-A420 PolarHBondContact O-N 3.42Å; L418-F421 PolarHBondContact O-N 3.48Å; L418-K422 PolarHBondContact O-N 3.05Å
419Q68.2Low63.7Low130 Ų13094.2 Ų94.261%0.60749%0.494SS*.Hα-helixtrans-63.4-35.8175.5-69.5-69-5.900112.6E415 V417 P423E415-Q419 WeakPolarHBondContact O-CG 3.39Å; E415-Q419 PolarHBondContact O-N 3.12Å; V417-Q419 PolarHBondContact O-N 3.33Å; Q419-P423 WeakPolarHBondContact O-CD 3.23Å
420A72.5Confident63.6Low55 Ų5596.3 Ų96.346%0.45551%0.507SS..Hα-helixtrans-75.1-28.1173.400000113.4T416 V417 L418 P423 A424T416-A420 WeakPolarHBondContact O-CB 3.49Å; T416-A420 PolarHBondContact O-N 3.48Å; V417-A420 PolarHBondContact O-N 3.3Å; L418-A420 VanDerWaalsContact C-N 3.33Å; L418-A420 PolarHBondContact O-N 3.42Å; A420-P423 VanDerWaalsContact O-CD 3.3Å; A420-P423 WeakPolarHBondContact O-CD 3.35Å; A420-P423 VanDerWaalsContact O-CG 3.32Å; A420-P423 WeakPolarHBondContact O-CG 3.35Å; A420-A424 PolarHBondContact O-N 2.83Å
421F65.2Low63.4Low64 Ų6498.3 Ų98.328%0.28151%0.509SS..Hα-helixtrans-71.4-36.6-177.2-148.4-121.4000112.7L311 V417 L418 A424 I425L311-F421 HydrophobicContact CD2-CD2 4.42Å; L311-F421 HydrophobicContact CD2-CE1 4.42Å; L311-F421 HydrophobicContact CD2-CE2 3.87Å; L311-F421 HydrophobicContact CD2-CZ 3.87Å; L311-F421 HydrophobicContact CG-CZ 4.35Å; V417-F421 WeakPolarHBondContact O-CB 3.41Å; V417-F421 PolarHBondContact O-N 3.46Å; L418-F421 PolarHBondContact O-N 3.48Å; F421-A424 WeakPolarHBondContact O-CB 3.27Å; F421-A424 PolarHBondContact O-N 2.67Å; F421-A424 VanDerWaalsContact O-N 3.16Å; F421-I425 HydrophobicContact CD1-CD1 3.5Å; F421-I425 VanDerWaalsContact CD1-CD1 3.5Å; F421-I425 HydrophobicContact CD1-CG1 4.09Å; F421-I425 HydrophobicContact CE1-CD1 3.54Å; F421-I425 HydrophobicContact CE1-CG1 4.1Å; F421-I425 HydrophobicContact CG-CD1 4.43Å; F421-I425 HydrophobicContact CZ-CD1 4.48Å; F421-I425 PolarHBondContact O-N 3.31Å
422K63.6Low62.6Low102 Ų102103.1 Ų103.144%0.44351%0.508SS..Hα-helixtrans-58.2-49.9178.6-170.8173.5-172.41700113.9L418 R426L418-K422 PolarHBondContact O-N 3.05Å; K422-R426 WeakPolarHBondContact O-CB 3.4Å; K422-R426 WeakPolarHBondContact O-CG 3.39Å; K422-R426 PolarHBondContact O-N 3.21Å; K422-R426 VanDerWaalsContact O-N 3.13Å
423P73.5Confident62.3Low75 Ų75105.7 Ų105.749%0.48753%0.528SS..Hα-helixtrans-67.7-33.5171.924.9-31.4000112.5Q419 A420 R426 L427Q419-P423 WeakPolarHBondContact O-CD 3.23Å; A420-P423 VanDerWaalsContact O-CD 3.3Å; A420-P423 WeakPolarHBondContact O-CD 3.35Å; A420-P423 VanDerWaalsContact O-CG 3.32Å; A420-P423 WeakPolarHBondContact O-CG 3.35Å; P423-R426 PolarHBondContact O-N 2.66Å; P423-L427 VanDerWaalsContact O-CB 3.27Å; P423-L427 WeakPolarHBondContact O-CB 3.46Å; P423-L427 PolarHBondContact O-N 2.8Å
424A68.4Low61.6Low28 Ų28100.4 Ų100.423%0.23151%0.514CS..Hα-helixtrans-62.9-50.6177.100000112.6A420 F421 R426 L427 I428A420-A424 PolarHBondContact O-N 2.83Å; F421-A424 WeakPolarHBondContact O-CB 3.27Å; F421-A424 PolarHBondContact O-N 2.67Å; F421-A424 VanDerWaalsContact O-N 3.16Å; A424-R426 PolarHBondContact O-N 3.28Å; A424-L427 PolarHBondContact O-N 3.4Å; A424-L427 VanDerWaalsContact O-N 3.14Å; A424-I428 WeakPolarHBondContact O-CG1 3.36Å; A424-I428 PolarHBondContact O-N 3.37Å
425I66.1Low60.5Low39 Ų3999.4 Ų99.420%0.251%0.512CS..Hα-helixtrans-58.1-48.8173.5-69.5172.1000110.1F403 F421 L427 I428 T429F403-I425 HydrophobicContact CE1-CD1 4.23Å; F403-I425 HydrophobicContact CZ-CG2 4.23Å; F421-I425 HydrophobicContact CD1-CD1 3.5Å; F421-I425 VanDerWaalsContact CD1-CD1 3.5Å; F421-I425 HydrophobicContact CD1-CG1 4.09Å; F421-I425 HydrophobicContact CE1-CD1 3.54Å; F421-I425 HydrophobicContact CE1-CG1 4.1Å; F421-I425 HydrophobicContact CG-CD1 4.43Å; F421-I425 HydrophobicContact CZ-CD1 4.48Å; F421-I425 PolarHBondContact O-N 3.31Å; I425-L427 PolarHBondContact O-N 2.95Å; I425-I428 PolarHBondContact O-N 3.24Å; I425-T429 HydrophobicContact CG2-CG2 4.14Å; I425-T429 WeakPolarHBondContact O-CG2 3.49Å; I425-T429 PolarHBondContact O-N 3.12Å; I425-T429 PolarHBondContact O-OG1 3.5Å
426R64.4Low59.6Low162 Ų16297.9 Ų97.961%0.61151%0.509SS*.Hα-helixtrans-57.1-35.6177.3-84.1-176.7167-176.6-4.7112.4K422 P423 A424 T429 T430K422-R426 WeakPolarHBondContact O-CB 3.4Å; K422-R426 WeakPolarHBondContact O-CG 3.39Å; K422-R426 PolarHBondContact O-N 3.21Å; K422-R426 VanDerWaalsContact O-N 3.13Å; P423-R426 PolarHBondContact O-N 2.66Å; A424-R426 PolarHBondContact O-N 3.28Å; R426-T429 PolarHBondContact O-OG1 2.88Å; R426-T430 VanDerWaalsContact O-CB 3.25Å; R426-T430 WeakPolarHBondContact O-CB 3.03Å; R426-T430 WeakPolarHBondContact O-CG2 3.3Å; R426-T430 PolarHBondContact O-N 3.32Å; R426-T430 PolarHBondContact O-OG1 2.96Å
427L66.5Low58.3Low47 Ų4798.4 Ų98.425%0.24650%0.502CS..Hα-helixtrans-76.1-39.4-178.7-157.5136000111.8P423 A424 I425 R432 V434 P435P423-L427 VanDerWaalsContact O-CB 3.27Å; P423-L427 WeakPolarHBondContact O-CB 3.46Å; P423-L427 PolarHBondContact O-N 2.8Å; A424-L427 PolarHBondContact O-N 3.4Å; A424-L427 VanDerWaalsContact O-N 3.14Å; I425-L427 PolarHBondContact O-N 2.95Å; L427-R432 HydrophobicContact CG-CB 4.49Å; L427-V434 HydrophobicContact CD2-CG2 4.34Å; L427-P435 HydrophobicContact CD1-CG 3.98Å
428I61.4Low57.7Low134 Ų134103.6 Ų103.669%0.68752%0.519SS*.Hα-helixtrans-60.3-49171.4-67.1164.5000110.5A424 I425A424-I428 WeakPolarHBondContact O-CG1 3.36Å; A424-I428 PolarHBondContact O-N 3.37Å; I425-I428 PolarHBondContact O-N 3.24Å
429T62.3Low57Low98 Ų98102.2 Ų102.260%0.60152%0.519SS*.Hα-helixtrans-73.7-32.7-176.856.30000113.6I425 R426 R431I425-T429 HydrophobicContact CG2-CG2 4.14Å; I425-T429 WeakPolarHBondContact O-CG2 3.49Å; I425-T429 PolarHBondContact O-N 3.12Å; I425-T429 PolarHBondContact O-OG1 3.5Å; R426-T429 PolarHBondContact O-OG1 2.88Å; T429-R431 VanDerWaalsContact C-N 3.25Å; T429-R431 PolarHBondContact O-N 2.98Å
430T66.4Low55.7Low78 Ų78101.5 Ų101.548%0.47952%0.519SS..THydrogen-bonded Turntrans-79.7117957.20000114.7R426 R432R426-T430 VanDerWaalsContact O-CB 3.25Å; R426-T430 WeakPolarHBondContact O-CB 3.03Å; R426-T430 WeakPolarHBondContact O-CG2 3.3Å; R426-T430 PolarHBondContact O-N 3.32Å; R426-T430 PolarHBondContact O-OG1 2.96Å; T430-R432 PolarHBondContact O-N 3.32Å
431R51.3Low54.4Low236 Ų236106.6 Ų106.689%0.89154%0.538SS*.THydrogen-bonded Turntrans50.426.1-175.9-64-171.9175.4-164.8-0.4114.1T429T429-R431 VanDerWaalsContact C-N 3.25Å; T429-R431 PolarHBondContact O-N 2.98Å
432R39.1Very low53.5Low188 Ų188109.3 Ų109.371%0.70956%0.555SS**PPolyproline II helixtrans-75.6150.8174.3-71-174.1176.5-161.50109.2L427 T430 V434L427-R432 HydrophobicContact CG-CB 4.49Å; T430-R432 PolarHBondContact O-N 3.32Å; R432-V434 PolarHBondContact O-N 3.13Å
433S45.4Very low52.2Low108 Ų108108.6 Ų108.676%0.75558%0.577SS**PPolyproline II helixtrans-51.7125.9176.549.80000110.4P435S433-P435 WeakPolarHBondContact O-CD 3.38Å; S433-P435 VanDerWaalsContact O-N 3.16Å
434V39.9Very low50.5Low104 Ų104108.7 Ų108.763%0.6358%0.58SS**PPolyproline II helixtrans-56.2116.8173.6177.70000108.5L427 R432 F437L427-V434 HydrophobicContact CD2-CG2 4.34Å; R432-V434 PolarHBondContact O-N 3.13Å; V434-F437 HydrophobicContact CG1-CD2 3.7Å; V434-F437 HydrophobicContact CG1-CE2 3.51Å
435P40.4Very low48.9Very low59 Ų59114.3 Ų114.338%0.38361%0.611SS.*PPolyproline II helixtrans-67.9151172.530.2-33.2000108.6L427 S433 F437L427-P435 HydrophobicContact CD1-CG 3.98Å; S433-P435 WeakPolarHBondContact O-CD 3.38Å; S433-P435 VanDerWaalsContact O-N 3.16Å; P435-F437 PolarHBondContact O-N 2.93Å
436D44.2Very low47.6Very low121 Ų121118.1 Ų118.165%0.64764%0.638SS**  trans-59.9108.5178.3-173.8-5000110.2K438 G439D436-K438 PolarHBondContact O-N 3.37Å; D436-K438 WeakPolarHBondContact OD1-CB 3.5Å; D436-K438 WeakPolarHBondContact OD1-CG 3.41Å; D436-K438 PolarHBondContact OD1-N 3.25Å; D436-K438 VanDerWaalsContact OD1-N 3.1Å; D436-G439 PolarHBondContact O-N 3.16Å
437F44.6Very low46.2Very low118 Ų118113.9 Ų113.952%0.51865%0.645SS.*G310 helixtrans-64.4-10.4-176.6-87.8-75.1000113.3V434 P435 G439 L440V434-F437 HydrophobicContact CG1-CD2 3.7Å; V434-F437 HydrophobicContact CG1-CE2 3.51Å; P435-F437 PolarHBondContact O-N 2.93Å; F437-G439 PolarHBondContact O-N 3.1Å; F437-G439 VanDerWaalsContact O-N 3.17Å; F437-L440 HydrophobicContact CD1-CB 4.34Å; F437-L440 HydrophobicContact CD1-CD1 3.61Å; F437-L440 HydrophobicContact CE1-CD1 3.72Å; F437-L440 PolarHBondContact O-N 3.48Å
438K48.5Very low44.5Very low172 Ų172119.5 Ų119.575%0.74867%0.674SS**G310 helixtrans-57.2-25.9173.5-79179170.5178.20114.4D436D436-K438 PolarHBondContact O-N 3.37Å; D436-K438 WeakPolarHBondContact OD1-CB 3.5Å; D436-K438 WeakPolarHBondContact OD1-CG 3.41Å; D436-K438 PolarHBondContact OD1-N 3.25Å; D436-K438 VanDerWaalsContact OD1-N 3.1Å
439G44.7Very low43.1Very low29 Ų29120.5 Ų120.530%0.29968%0.68SS.*G310 helixtrans-80.8-27.2178.200000114.7D436 F437 L441 N442D436-G439 PolarHBondContact O-N 3.16Å; F437-G439 PolarHBondContact O-N 3.1Å; F437-G439 VanDerWaalsContact O-N 3.17Å; G439-L441 VanDerWaalsContact C-N 3.3Å; G439-L441 PolarHBondContact O-N 3.24Å; G439-N442 PolarHBondContact O-N 3.09Å; G439-N442 VanDerWaalsContact O-N 3.09Å
440L40.6Very low41.6Very low114 Ų114123.2 Ų123.260%0.59769%0.69SS**THydrogen-bonded Turntrans-74.8-12.5-163.4-102.4156.3000115.2F437F437-L440 HydrophobicContact CD1-CB 4.34Å; F437-L440 HydrophobicContact CD1-CD1 3.61Å; F437-L440 HydrophobicContact CE1-CD1 3.72Å; F437-L440 PolarHBondContact O-N 3.48Å
441L45.5Very low39.9Very low163 Ų163127 Ų12785%0.85371%0.706SS**THydrogen-bonded Turntrans-90.1-9.9172.3-69.8171.4000113.6G439G439-L441 VanDerWaalsContact C-N 3.3Å; G439-L441 PolarHBondContact O-N 3.24Å
442N46Very low39.1Very low120 Ų120120.4 Ų120.464%0.64270%0.696SS**THydrogen-bonded Turntrans-111.619-168.3-70.1-8.7000114.3G439 S444G439-N442 PolarHBondContact O-N 3.09Å; G439-N442 VanDerWaalsContact O-N 3.09Å; N442-S444 PolarHBondContact O-N 3.35Å; N442-S444 PolarHBondContact O-OG 3.22Å
443G38.1Very low38.9Very low88 Ų88120.7 Ų120.791%0.90770%0.703SS**THydrogen-bonded Turntrans59.315.316700000116.9
444S37.4Very low38.8Very low77 Ų77120.7 Ų120.754%0.53870%0.7SS.*  trans-123.3126.6-169.331.90000111.4N442 P446N442-S444 PolarHBondContact O-N 3.35Å; N442-S444 PolarHBondContact O-OG 3.22Å; S444-P446 WeakPolarHBondContact O-CD 3.13Å
445T34.8Very low38.5Very low145 Ų145123 Ų12389%0.8971%0.707SS**PPolyproline II helixtrans-76.2119.8179.435.40000111.7
446P37.8Very low38.7Very low119 Ų119124.6 Ų124.677%0.77372%0.718SS**PPolyproline II helixtrans-88.8130.4172.1-5.525.8000111S444S444-P446 WeakPolarHBondContact O-CD 3.13Å
447G36.2Very low38.5Very low73 Ų73125.8 Ų125.875%0.75372%0.723SS**PPolyproline II helixtrans-75.5166.5179.900000115L449G447-L449 PolarHBondContact O-N 3.05Å
448I30.6Very low38.8Very low165 Ų165129.1 Ų129.185%0.84674%0.737SS**PPolyproline II helixtrans-77.1118.6-179.6-60.8167.4000110.2
449L31.6Very low38.9Very low155 Ų155127.9 Ų127.981%0.81273%0.734SS**  trans-94.3112.4171.6-94.5162.4000111.2G447G447-L449 PolarHBondContact O-N 3.05Å
450N30Very low38.7Very low155 Ų155130.1 Ų130.183%0.82974%0.739SS**  trans-83.8122.8167.1-99.1-36.3000109.7
451I31.9Very low39Very low159 Ų159126.5 Ų126.582%0.81573%0.729SS**  trans-125.4122.8168.1-59-179.1000108.3
452S33.5Very low39.6Very low96 Ų96125.6 Ų125.667%0.67172%0.72SS**  trans-128.9138.1-169.772.50000112.7
453K34.4Very low39.7Very low195 Ų195122.8 Ų122.885%0.84871%0.71SS**  trans67169.6166.4-58-179.1179.2175.60115.8
454P44.7Very low40.1Very low108 Ų108122.1 Ų122.170%0.70169%0.685SS**  -138.6-174.5-57.241.2-26.6000112.3
455I33.1Very low40.9Very low151 Ų151129.2 Ų129.277%0.77470%0.7SS**  trans-134.8129.4148.8-60-177.3000109.4
456P45.2Very low42.3Very low94 Ų94131.5 Ų131.561%0.6170%0.698SS**  trans-68.5134.9178.4-20.333.5000114.1K458P456-K458 VanDerWaalsContact C-N 3.31Å; P456-K458 PolarHBondContact O-N 3.46Å
457L39.1Very low43Very low146 Ų146130.4 Ų130.476%0.76468%0.681SS**THydrogen-bonded Turntrans-72.3-13.8-172.1-140.183.9000115.6
458K51.5Low43.5Very low187 Ų187135.6 Ų135.681%0.81368%0.683SS**Hα-helixtrans-67.3-39.8-171.3-90.9-175.7171.3-1780113.3P456 L460 G461P456-K458 VanDerWaalsContact C-N 3.31Å; P456-K458 PolarHBondContact O-N 3.46Å; K458-L460 PolarHBondContact O-N 3.08Å; K458-G461 PolarHBondContact O-N 3.35Å
459E49.9Very low44.2Very low147 Ų147133.4 Ų133.469%0.68768%0.677SS**Hα-helixtrans-71.6-30.5-176.5-64.6179.8171.100113.2G461 E462 S463E459-G461 VanDerWaalsContact C-N 3.25Å; E459-G461 PolarHBondContact O-N 3.2Å; E459-E462 PolarHBondContact O-N 2.9Å; E459-S463 PolarHBondContact O-N 2.89Å
460L40.7Very low45.1Very low76 Ų76128 Ų12840%0.39866%0.659SS.*Hα-helixtrans-63.3-35.4175.4-170.166.4000111.2K458 E462 L464K458-L460 PolarHBondContact O-N 3.08Å; L460-E462 VanDerWaalsContact C-N 3.33Å; L460-E462 PolarHBondContact O-N 3.45Å; L460-L464 HydrophobicContact CG-CD1 4.12Å; L460-L464 WeakPolarHBondContact O-CB 3.5Å; L460-L464 VanDerWaalsContact O-CG 3.23Å; L460-L464 WeakPolarHBondContact O-CG 3.27Å; L460-L464 PolarHBondContact O-N 2.88Å; L460-L464 VanDerWaalsContact O-N 3.08Å
461G47.9Very low46.5Very low37 Ų37123.3 Ų123.338%0.38164%0.636SS.*Hα-helixtrans-63.7-33.3178.700000114K458 E459K458-G461 PolarHBondContact O-N 3.35Å; E459-G461 VanDerWaalsContact C-N 3.25Å; E459-G461 PolarHBondContact O-N 3.2Å
462E56.8Low47.1Very low144 Ų144117.3 Ų117.367%0.67361%0.606SS**Hα-helixtrans-83.8-38.5178.7-64-166.6163.200112.4E459 L460 L464 R465E459-E462 PolarHBondContact O-N 2.9Å; L460-E462 VanDerWaalsContact C-N 3.33Å; L460-E462 PolarHBondContact O-N 3.45Å; E462-L464 PolarHBondContact O-N 3.45Å; E462-R465 PolarHBondContact O-N 3.18Å; E462-R465 VanDerWaalsContact O-N 3.14Å
463S49.2Very low47.7Very low61 Ų61116 Ų11643%0.42760%0.595SS.*Hα-helixtrans-60.5-34.1172.6-94.90000112.8E459 R465 K466E459-S463 PolarHBondContact O-N 2.89Å; S463-R465 VanDerWaalsContact C-N 3.33Å; S463-R465 PolarHBondContact O-N 2.89Å; S463-K466 PolarHBondContact O-N 3.37Å
464L45.8Very low48.7Very low74 Ų74115 Ų11539%0.38759%0.585SS.*Hα-helixtrans-69.7-25176.7-75.2170.4000113.5L460 E462 K466 V472L460-L464 HydrophobicContact CG-CD1 4.12Å; L460-L464 WeakPolarHBondContact O-CB 3.5Å; L460-L464 VanDerWaalsContact O-CG 3.23Å; L460-L464 WeakPolarHBondContact O-CG 3.27Å; L460-L464 PolarHBondContact O-N 2.88Å; L460-L464 VanDerWaalsContact O-N 3.08Å; E462-L464 PolarHBondContact O-N 3.45Å; L464-K466 VanDerWaalsContact C-N 3.33Å; L464-K466 PolarHBondContact O-N 3.08Å; L464-V472 HydrophobicContact CD2-CB 4.5Å; L464-V472 HydrophobicContact CD2-CG1 3.79Å; L464-V472 HydrophobicContact CD2-CG2 4.08Å
465R54.6Low48.9Very low226 Ų226113.6 Ų113.685%0.85357%0.57SS**Hα-helixtrans-75.1-17.4177.8-68.7-176.3-167.7-153.14.7114.1E462 S463E462-R465 PolarHBondContact O-N 3.18Å; E462-R465 VanDerWaalsContact O-N 3.14Å; S463-R465 VanDerWaalsContact C-N 3.33Å; S463-R465 PolarHBondContact O-N 2.89Å
466K63.3Low49.4Very low193 Ų193110.8 Ų110.884%0.83956%0.557SS**SBendtrans-108.1-3.2-170.7-69.8-176.7177.7175.30115.5S463 L464S463-K466 PolarHBondContact O-N 3.37Å; L464-K466 VanDerWaalsContact C-N 3.33Å; L464-K466 PolarHBondContact O-N 3.08Å
467K53.5Low49.9Very low96 Ų96111.9 Ų111.942%0.41755%0.554SS.*SBendtrans-113.7140.1-170.4-73.2-179.6175174.70113.8T471 V472 M475K467-T471 HydrophobicContact CD-CG2 4.05Å; K467-V472 HydrophobicContact CB-CG2 4.44Å; K467-M475 HydrophobicContact CD-SD 4.36Å
468K45.9Very low50.5Low183 Ų183114.7 Ų114.780%0.79655%0.554SS**  trans-54.6144.1175.2-68.6-177.9177.8179.50110.7G470 T471 V472K468-G470 VanDerWaalsContact C-N 3.29Å; K468-G470 PolarHBondContact O-N 2.88Å; K468-G470 VanDerWaalsContact O-N 3.13Å; K468-T471 WeakPolarHBondContact O-CB 3.16Å; K468-T471 PolarHBondContact O-N 3.33Å; K468-V472 PolarHBondContact O-N 3.47Å
469V44.8Very low50Low119 Ų119110.1 Ų110.172%0.72154%0.538SS*.Hα-helixtrans-48.6-45.2-174.4-179.70000112.9T471 V472 T473V469-T471 VanDerWaalsContact C-N 3.25Å; V469-T471 PolarHBondContact O-N 3.06Å; V469-V472 WeakPolarHBondContact O-CA 3.46Å; V469-V472 WeakPolarHBondContact O-CB 3.01Å; V469-V472 PolarHBondContact O-N 2.67Å; V469-T473 PolarHBondContact O-N 3.5Å; V469-T473 PolarHBondContact O-OG1 3.37Å
470G51.8Low49.8Very low42 Ų42108.5 Ų108.543%0.43354%0.538SS..Hα-helixtrans-65.1-19.117900000115.8K468 R474K468-G470 VanDerWaalsContact C-N 3.29Å; K468-G470 PolarHBondContact O-N 2.88Å; K468-G470 VanDerWaalsContact O-N 3.13Å; G470-R474 PolarHBondContact O-N 3.43Å
471T59.7Low50.3Low56 Ų56112.9 Ų112.934%0.34455%0.55SS.*Hα-helixtrans-81.5-36.8170.3-49.90000110.8K467 K468 V469 R474 M475K467-T471 HydrophobicContact CD-CG2 4.05Å; K468-T471 WeakPolarHBondContact O-CB 3.16Å; K468-T471 PolarHBondContact O-N 3.33Å; V469-T471 VanDerWaalsContact C-N 3.25Å; V469-T471 PolarHBondContact O-N 3.06Å; T471-R474 PolarHBondContact O-N 3.31Å; T471-M475 HydrophobicContact CG2-SD 4.48Å; T471-M475 WeakPolarHBondContact O-CB 3.37Å; T471-M475 WeakPolarHBondContact O-CG 3.49Å; T471-M475 PolarHBondContact O-N 2.89Å
472V43.2Very low50.1Low32 Ų32117 Ų11719%0.19456%0.563CS.*Hα-helixtrans-63.5-43.8173.2179.70000110.2L464 K467 K468 V469 R474 M475 L476L464-V472 HydrophobicContact CD2-CB 4.5Å; L464-V472 HydrophobicContact CD2-CG1 3.79Å; L464-V472 HydrophobicContact CD2-CG2 4.08Å; K467-V472 HydrophobicContact CB-CG2 4.44Å; K468-V472 PolarHBondContact O-N 3.47Å; V469-V472 WeakPolarHBondContact O-CA 3.46Å; V469-V472 WeakPolarHBondContact O-CB 3.01Å; V469-V472 PolarHBondContact O-N 2.67Å; V472-R474 PolarHBondContact O-N 3.49Å; V472-M475 PolarHBondContact O-N 3.12Å; V472-L476 HydrophobicContact CG1-CD1 3.85Å; V472-L476 HydrophobicContact CG1-CG 4.23Å; V472-L476 WeakPolarHBondContact O-CB 3.14Å; V472-L476 WeakPolarHBondContact O-CG 3.28Å; V472-L476 PolarHBondContact O-N 3.1Å
473T47.5Very low49.4Very low70 Ų70114.8 Ų114.843%0.42956%0.556SS.*Hα-helixtrans-60.2-42.8175.1-480000112.2V469 L476 Q477V469-T473 PolarHBondContact O-N 3.5Å; V469-T473 PolarHBondContact O-OG1 3.37Å; T473-L476 PolarHBondContact O-N 3.36Å; T473-Q477 WeakPolarHBondContact O-CB 3.07Å; T473-Q477 WeakPolarHBondContact O-CG 3.43Å; T473-Q477 PolarHBondContact O-N 3.46Å
474R55Low49.5Very low172 Ų172117.7 Ų117.765%0.64957%0.571SS**Hα-helixtrans-68.5-35.2175.7-83.4-172.4-84.4-172.1-8.9113.4G470 T471 V472 R478G470-R474 PolarHBondContact O-N 3.43Å; T471-R474 PolarHBondContact O-N 3.31Å; V472-R474 PolarHBondContact O-N 3.49Å; R474-R478 WeakPolarHBondContact O-CG 3.37Å; R474-R478 PolarHBondContact O-N 2.81Å
475M48.3Very low50.6Low79 Ų79117.4 Ų117.439%0.38957%0.572SS.*Hα-helixtrans-69.5-40.5173.2-77.8-178.913300111.8K467 T471 V472 R478 L479K467-M475 HydrophobicContact CD-SD 4.36Å; T471-M475 HydrophobicContact CG2-SD 4.48Å; T471-M475 WeakPolarHBondContact O-CB 3.37Å; T471-M475 WeakPolarHBondContact O-CG 3.49Å; T471-M475 PolarHBondContact O-N 2.89Å; V472-M475 PolarHBondContact O-N 3.12Å; M475-R478 PolarHBondContact O-N 2.87Å; M475-L479 WeakPolarHBondContact O-CB 3.1Å; M475-L479 WeakPolarHBondContact O-CG 3.34Å; M475-L479 PolarHBondContact O-N 3.06Å
476L44Very low51.3Low93 Ų93111.5 Ų111.549%0.48756%0.555SS.*Hα-helixtrans-65.1-42.6173.6-72.7172.2000111.4V472 T473 R478 L479 V480V472-L476 HydrophobicContact CG1-CD1 3.85Å; V472-L476 HydrophobicContact CG1-CG 4.23Å; V472-L476 WeakPolarHBondContact O-CB 3.14Å; V472-L476 WeakPolarHBondContact O-CG 3.28Å; V472-L476 PolarHBondContact O-N 3.1Å; T473-L476 PolarHBondContact O-N 3.36Å; L476-R478 VanDerWaalsContact C-N 3.3Å; L476-R478 PolarHBondContact O-N 3.42Å; L476-L479 PolarHBondContact O-N 3.28Å; L476-L479 VanDerWaalsContact O-N 3.16Å; L476-V480 WeakPolarHBondContact O-CB 3.47Å; L476-V480 VanDerWaalsContact O-CG2 3.24Å; L476-V480 WeakPolarHBondContact O-CG2 3.32Å; L476-V480 PolarHBondContact O-N 3.1Å
477Q55.6Low51.4Low116 Ų116107.7 Ų107.754%0.54254%0.54SS..Hα-helixtrans-57.6-41.5171.8-79.5174.6-27.600111.8T473 Y481T473-Q477 WeakPolarHBondContact O-CB 3.07Å; T473-Q477 WeakPolarHBondContact O-CG 3.43Å; T473-Q477 PolarHBondContact O-N 3.46Å; Q477-Y481 VanDerWaalsContact O-CD2 3.32Å; Q477-Y481 WeakPolarHBondContact O-CD2 3.22Å
478R50.8Low51.9Low206 Ų206107.6 Ų107.678%0.77754%0.543SS*.Hα-helixtrans-69.2-34.4174.3-75.1-177.6175.2-173.1-2.3113.7R474 M475 L476 Y481R474-R478 WeakPolarHBondContact O-CG 3.37Å; R474-R478 PolarHBondContact O-N 2.81Å; M475-R478 PolarHBondContact O-N 2.87Å; L476-R478 VanDerWaalsContact C-N 3.3Å; L476-R478 PolarHBondContact O-N 3.42Å; R478-Y481 PolarHBondContact O-N 2.76Å
479L41.8Very low53Low90 Ų90104.1 Ų104.147%0.47153%0.525SS..Hα-helixtrans-74.4-27176.2-74.6167.9000113M475 L476 Y481 L482M475-L479 WeakPolarHBondContact O-CB 3.1Å; M475-L479 WeakPolarHBondContact O-CG 3.34Å; M475-L479 PolarHBondContact O-N 3.06Å; L476-L479 PolarHBondContact O-N 3.28Å; L476-L479 VanDerWaalsContact O-N 3.16Å; L479-Y481 PolarHBondContact O-N 3.3Å; L479-L482 PolarHBondContact O-N 3.27Å
480V46.6Very low54.4Low114 Ų114103 Ų10369%0.69151%0.514SS*.THydrogen-bonded Turntrans-65.1-13.9173164.60000112.6L476L476-V480 WeakPolarHBondContact O-CB 3.47Å; L476-V480 VanDerWaalsContact O-CG2 3.24Å; L476-V480 WeakPolarHBondContact O-CG2 3.32Å; L476-V480 PolarHBondContact O-N 3.1Å
481Y51Low55.1Low168 Ų168107.8 Ų107.866%0.65952%0.52SS*.THydrogen-bonded Turntrans-84.1-0.4175.8-88.5-83.9000115.5T173 Q477 R478 L479T173-Y481 HydrophobicContact CG2-CE1 4.43Å; Q477-Y481 VanDerWaalsContact O-CD2 3.32Å; Q477-Y481 WeakPolarHBondContact O-CD2 3.22Å; R478-Y481 PolarHBondContact O-N 2.76Å; L479-Y481 PolarHBondContact O-N 3.3Å
482L43.6Very low55.2Low122 Ų122111.8 Ų111.864%0.63953%0.532SS*.  trans-107.980.3178-65.2174.3000111L479L479-L482 PolarHBondContact O-N 3.27Å
483D41.5Very low56.6Low98 Ų98116.9 Ų116.952%0.52455%0.548SS..  trans-10290.2-175-167.314.7000112R489D483-R489 IonicContact OD1-NE 3.73Å
484T50.6Low57.6Low122 Ų122120.5 Ų120.575%0.74856%0.558SS**  trans-134-1.9-175.956.60000116.6
485T70.2Confident57.9Low68 Ų68117.5 Ų117.542%0.41755%0.554SS.*  trans-136.6138.6-176.953.50000114.6E487 L488 R489T485-E487 PolarHBondContact O-N 3.47Å; T485-L488 PolarHBondContact O-N 3.44Å; T485-R489 PolarHBondContact O-N 3.07Å
486E69Low58.5Low103 Ų103118.5 Ų118.548%0.48156%0.559SS.*Hα-helixtrans-59.8-30.3175.5-98.7-56.6132.300112.8L488 R489 L490 R493E486-L488 VanDerWaalsContact C-N 3.29Å; E486-L488 PolarHBondContact O-N 3.24Å; E486-R489 CarbonylContact O-C 3.59Å; E486-R489 WeakPolarHBondContact O-CA 3.42Å; E486-R489 WeakPolarHBondContact O-CB 3.02Å; E486-R489 PolarHBondContact O-N 3.3Å; E486-R489 WeakPolarHBondContact OE1-CD 3.06Å; E486-R489 IonicContact OE1-CZ 2.77Å; E486-R489 IonicContact OE1-NE 3.63Å; E486-R489 IonicContact OE1-NH1 2.65Å; E486-R489 PolarHBondContact OE1-NH1 2.84Å; E486-L490 PolarHBondContact O-N 3.33Å; E486-R493 IonicContact OE2-NH2 3.54Å; E486-R493 PolarHBondContact OE2-NH2 3.21Å
487E64.6Low59.3Low112 Ų112123.4 Ų123.452%0.52357%0.571SS.*Hα-helixtrans-62-39178.9-153.2-160.2149.700111.8T485 L490 R491T485-E487 PolarHBondContact O-N 3.47Å; E487-L490 PolarHBondContact O-N 3.13Å; E487-R491 WeakPolarHBondContact O-CB 3.4Å; E487-R491 VanDerWaalsContact O-CG 3.31Å; E487-R491 WeakPolarHBondContact O-CG 3.38Å; E487-R491 PolarHBondContact O-N 2.75Å; E487-R491 IonicContact OE1-CZ 3.2Å; E487-R491 IonicContact OE1-NE 3.03Å; E487-R491 PolarHBondContact OE1-NE 3.5Å; E487-R491 IonicContact OE1-NH2 2.64Å; E487-R491 PolarHBondContact OE1-NH2 3.47Å
488L65.1Low59.1Low94 Ų94123.5 Ų123.549%0.49257%0.574SS.*Hα-helixtrans-66-36.3172.9-88.9165.8000112T485 E486 R491 K492T485-L488 PolarHBondContact O-N 3.44Å; E486-L488 VanDerWaalsContact C-N 3.29Å; E486-L488 PolarHBondContact O-N 3.24Å; L488-R491 PolarHBondContact O-N 3.4Å; L488-K492 WeakPolarHBondContact O-CB 3.4Å; L488-K492 PolarHBondContact O-N 3.1Å
489R68.6Low58.9Low111 Ų111119.2 Ų119.242%0.41956%0.563SS.*Hα-helixtrans-67.4-36.2173.4-64.6176.9-174.9154.91.6112.4D483 T485 E486 R493D483-R489 IonicContact OD1-NE 3.73Å; T485-R489 PolarHBondContact O-N 3.07Å; E486-R489 CarbonylContact O-C 3.59Å; E486-R489 WeakPolarHBondContact O-CA 3.42Å; E486-R489 WeakPolarHBondContact O-CB 3.02Å; E486-R489 PolarHBondContact O-N 3.3Å; E486-R489 WeakPolarHBondContact OE1-CD 3.06Å; E486-R489 IonicContact OE1-CZ 2.77Å; E486-R489 IonicContact OE1-NE 3.63Å; E486-R489 IonicContact OE1-NH1 2.65Å; E486-R489 PolarHBondContact OE1-NH1 2.84Å; R489-R493 WeakPolarHBondContact O-CB 3.45Å; R489-R493 WeakPolarHBondContact O-CG 3.48Å; R489-R493 PolarHBondContact O-N 3.04Å; R489-R493 PolarHBondContact O-NE 3.33Å
490L74.8Confident59.2Low94 Ų94124.2 Ų124.249%0.49258%0.576SS.*Hα-helixtrans-68.4-40.8173.8-167.770.3000111.4E486 E487 R493 K494E486-L490 PolarHBondContact O-N 3.33Å; E487-L490 PolarHBondContact O-N 3.13Å; L490-R493 WeakPolarHBondContact O-CB 3.41Å; L490-R493 PolarHBondContact O-N 3.29Å; L490-K494 PolarHBondContact O-N 2.74Å
491R64.9Low59.1Low144 Ų144126.3 Ų126.354%0.54358%0.576SS.*Hα-helixtrans-64.3-41.6173.2-70.1174.7-175.1-151.64.2111.7E487 L488 R493 K494 L495E487-R491 WeakPolarHBondContact O-CB 3.4Å; E487-R491 VanDerWaalsContact O-CG 3.31Å; E487-R491 WeakPolarHBondContact O-CG 3.38Å; E487-R491 PolarHBondContact O-N 2.75Å; E487-R491 IonicContact OE1-CZ 3.2Å; E487-R491 IonicContact OE1-NE 3.03Å; E487-R491 PolarHBondContact OE1-NE 3.5Å; E487-R491 IonicContact OE1-NH2 2.64Å; E487-R491 PolarHBondContact OE1-NH2 3.47Å; L488-R491 PolarHBondContact O-N 3.4Å; R491-R493 PolarHBondContact O-N 2.95Å; R491-K494 PolarHBondContact O-N 3.26Å; R491-K494 VanDerWaalsContact O-N 3.16Å; R491-L495 PolarHBondContact O-N 2.92Å
492K63.2Low59.1Low139 Ų139128.2 Ų128.260%0.60458%0.582SS**Hα-helixtrans-58-44.5171-171.9178.6-173.2175.90111.4L488 K494 L495 M496L488-K492 WeakPolarHBondContact O-CB 3.4Å; L488-K492 PolarHBondContact O-N 3.1Å; K492-K494 PolarHBondContact O-N 2.88Å; K492-L495 PolarHBondContact O-N 2.93Å; K492-M496 WeakPolarHBondContact O-CB 3.43Å; K492-M496 WeakPolarHBondContact O-CG 3.49Å; K492-M496 PolarHBondContact O-N 3.08Å
493R71.1Confident59.1Low139 Ų139131.7 Ų131.753%0.52559%0.587SS.*Hα-helixtrans-61.1-39.2173.7-77-177.4-91.3-168.8-4.3112.7E486 R489 L490 R491 R497E486-R493 IonicContact OE2-NH2 3.54Å; E486-R493 PolarHBondContact OE2-NH2 3.21Å; R489-R493 WeakPolarHBondContact O-CB 3.45Å; R489-R493 WeakPolarHBondContact O-CG 3.48Å; R489-R493 PolarHBondContact O-N 3.04Å; R489-R493 PolarHBondContact O-NE 3.33Å; L490-R493 WeakPolarHBondContact O-CB 3.41Å; L490-R493 PolarHBondContact O-N 3.29Å; R491-R493 PolarHBondContact O-N 2.95Å; R493-R497 WeakPolarHBondContact O-CG 3.28Å; R493-R497 PolarHBondContact O-N 3.45Å
494K69.5Low59.4Low146 Ų146129 Ų12964%0.63558%0.582SS**Hα-helixtrans-67.2-44.4173.5-81.1-175.6172.8-179.20112.8L490 R491 K492 R497 L498L490-K494 PolarHBondContact O-N 2.74Å; R491-K494 PolarHBondContact O-N 3.26Å; R491-K494 VanDerWaalsContact O-N 3.16Å; K492-K494 PolarHBondContact O-N 2.88Å; K494-R497 WeakPolarHBondContact O-CB 3.36Å; K494-R497 PolarHBondContact O-N 3.38Å; K494-L498 PolarHBondContact O-N 3.39Å
495L62.2Low59.3Low110 Ų110126.2 Ų126.258%0.57657%0.565SS**Hα-helixtrans-62.7-44.4177.8-108.4143.4000112.4R491 K492 R497 L498 E499R491-L495 PolarHBondContact O-N 2.92Å; K492-L495 PolarHBondContact O-N 2.93Å; L495-R497 PolarHBondContact O-N 2.89Å; L495-L498 PolarHBondContact O-N 2.79Å; L495-E499 PolarHBondContact O-N 3.04Å
496M60.3Low57.8Low100 Ų100129.1 Ų129.149%0.49357%0.572SS.*Hα-helixtrans-61.5-30.1175.2-68.8-81-75.700112.9K492 R500K492-M496 WeakPolarHBondContact O-CB 3.43Å; K492-M496 WeakPolarHBondContact O-CG 3.49Å; K492-M496 PolarHBondContact O-N 3.08Å; M496-R500 WeakPolarHBondContact O-CG 3.38Å; M496-R500 PolarHBondContact O-N 3.18Å
497R61.3Low56.6Low195 Ų195134 Ų13474%0.73659%0.586SS**Hα-helixtrans-70.9-38172-75.7-179.9178.3-179.2-0.5112.1R493 K494 L495 F501R493-R497 WeakPolarHBondContact O-CG 3.28Å; R493-R497 PolarHBondContact O-N 3.45Å; K494-R497 WeakPolarHBondContact O-CB 3.36Å; K494-R497 PolarHBondContact O-N 3.38Å; L495-R497 PolarHBondContact O-N 2.89Å; R497-F501 PolarHBondContact O-N 3.45Å
498L50.1Low55.8Low118 Ų118135.1 Ų135.162%0.61859%0.593SS**Hα-helixtrans-69.4-38.7177.3-71.4169000112.6K494 L495 F501 R502K494-L498 PolarHBondContact O-N 3.39Å; L495-L498 PolarHBondContact O-N 2.79Å; L498-F501 WeakPolarHBondContact O-CB 3.34Å; L498-F501 PolarHBondContact O-N 3.4Å; L498-R502 PolarHBondContact O-N 2.96Å
499E47.8Very low54.7Low116 Ų116136.8 Ų136.854%0.54260%0.602SS.*Hα-helixtrans-64.6-41.1175.2-75.7-168.9134.800112.7L495 F501 R502 W503L495-E499 PolarHBondContact O-N 3.04Å; E499-F501 PolarHBondContact O-N 3.43Å; E499-R502 PolarHBondContact O-N 3.01Å; E499-W503 PolarHBondContact O-N 2.77Å
500R47.6Very low53.9Low196 Ų196135.7 Ų135.774%0.7461%0.61SS**Hα-helixtrans-58-37.9172.5-74.1-176.7-172.6-167.21.2112.1M496 W503 G504M496-R500 WeakPolarHBondContact O-CG 3.38Å; M496-R500 PolarHBondContact O-N 3.18Å; R500-W503 PolarHBondContact O-N 3.31Å; R500-G504 PolarHBondContact O-N 3.2Å; R500-G504 VanDerWaalsContact O-N 3.1Å
501F44Very low52.8Low157 Ų157142 Ų14269%0.68963%0.628SS**Hα-helixtrans-64.2-41.2179-143.7-90.5000112R497 L498 E499 G504 T505R497-F501 PolarHBondContact O-N 3.45Å; L498-F501 WeakPolarHBondContact O-CB 3.34Å; L498-F501 PolarHBondContact O-N 3.4Å; E499-F501 PolarHBondContact O-N 3.43Å; F501-G504 PolarHBondContact O-N 3.06Å; F501-T505 PolarHBondContact O-N 2.89Å; F501-T505 PolarHBondContact O-OG1 2.84Å
502R51.7Low52Low209 Ų209145.9 Ų145.979%0.78964%0.642SS**Hα-helixtrans-67-38.3178.5-61.6-169.782.2171.95.7112.9L498 E499 F506L498-R502 PolarHBondContact O-N 2.96Å; E499-R502 PolarHBondContact O-N 3.01Å; R502-F506 WeakPolarHBondContact O-CB 3.5Å; R502-F506 PolarHBondContact O-N 2.91Å
503W43.4Very low50.5Low194 Ų194142.7 Ų142.774%0.73565%0.649SS**Hα-helixtrans-69.7-34.6176.4-8592.1000113.2E499 R500 R507E499-W503 PolarHBondContact O-N 2.77Å; R500-W503 PolarHBondContact O-N 3.31Å; W503-R507 PolarHBondContact O-N 3.17Å
504G48.2Very low48.8Very low42 Ų42143.6 Ų143.643%0.43366%0.664SS.*Hα-helixtrans-62.5-49.5175.100000113R500 F501 F506 R507 M508R500-G504 PolarHBondContact O-N 3.2Å; R500-G504 VanDerWaalsContact O-N 3.1Å; F501-G504 PolarHBondContact O-N 3.06Å; G504-F506 PolarHBondContact O-N 2.87Å; G504-R507 PolarHBondContact O-N 2.96Å; G504-M508 PolarHBondContact O-N 3.47Å
505T47.3Very low47.3Very low63 Ų63142.6 Ų142.639%0.38767%0.67SS.*Hα-helixtrans-66.3-36.4179.8-44.40000112.4F501 R507 M508 L509F501-T505 PolarHBondContact O-N 2.89Å; F501-T505 PolarHBondContact O-OG1 2.84Å; T505-R507 PolarHBondContact O-N 3.18Å; T505-M508 PolarHBondContact O-N 3.35Å; T505-L509 HydrophobicContact CG2-CD1 4.46Å; T505-L509 PolarHBondContact O-N 2.87Å; T505-L509 VanDerWaalsContact O-N 3.12Å
506F39.2Very low45.9Very low129 Ų129145 Ų14557%0.56668%0.684SS**Hα-helixtrans-63.1-41176.9-165.9-101.1000111.9R502 G504 M508 L509 C510R502-F506 WeakPolarHBondContact O-CB 3.5Å; R502-F506 PolarHBondContact O-N 2.91Å; G504-F506 PolarHBondContact O-N 2.87Å; F506-M508 VanDerWaalsContact C-N 3.29Å; F506-M508 PolarHBondContact O-N 3.34Å; F506-L509 PolarHBondContact O-N 2.89Å; F506-C510 PolarHBondContact O-N 3.33Å; F506-C510 VanDerWaalsContact O-N 3.09Å; F506-C510 PolarHBondContact O-SG 3.07Å
507R44.5Very low44.7Very low205 Ų205149.8 Ų149.877%0.77470%0.702SS**Hα-helixtrans-61.7-32.3174.6-115.7-177.8-174.61802.1113.5W503 G504 T505W503-R507 PolarHBondContact O-N 3.17Å; G504-R507 PolarHBondContact O-N 2.96Å; T505-R507 PolarHBondContact O-N 3.18Å
508M46Very low43.4Very low137 Ų137148.1 Ų148.168%0.67571%0.707SS**Hα-helixtrans-71.6-42.4173-84.5-153.4-62.400112.6G504 T505 F506 C510 R511G504-M508 PolarHBondContact O-N 3.47Å; T505-M508 PolarHBondContact O-N 3.35Å; F506-M508 VanDerWaalsContact C-N 3.29Å; F506-M508 PolarHBondContact O-N 3.34Å; M508-C510 VanDerWaalsContact C-N 3.34Å; M508-C510 PolarHBondContact O-N 3.13Å; M508-R511 PolarHBondContact O-N 2.94Å; M508-R511 VanDerWaalsContact O-N 3.13Å
509L43.8Very low42.7Very low128 Ų128153.4 Ų153.467%0.6772%0.718SS**Hα-helixtrans-64.6-38.2-179.7-77.7164000112T505 F506 R511 R512T505-L509 HydrophobicContact CG2-CD1 4.46Å; T505-L509 PolarHBondContact O-N 2.87Å; T505-L509 VanDerWaalsContact O-N 3.12Å; F506-L509 PolarHBondContact O-N 2.89Å; L509-R511 PolarHBondContact O-N 2.92Å; L509-R512 PolarHBondContact O-N 3.49Å
510C51.9Low42.1Very low88 Ų88158.1 Ų158.160%0.59574%0.737SS**THydrogen-bonded Turntrans-68.4-17.9174.5-64.10000114.3F506 M508F506-C510 PolarHBondContact O-N 3.33Å; F506-C510 VanDerWaalsContact O-N 3.09Å; F506-C510 PolarHBondContact O-SG 3.07Å; M508-C510 VanDerWaalsContact C-N 3.34Å; M508-C510 PolarHBondContact O-N 3.13Å
511R50.3Low41.3Very low227 Ų227160 Ų16086%0.85774%0.744SS**THydrogen-bonded Turntrans-86.8-8.4177.8-87.8-176.2167.2179.1-6.1114.3M508 L509M508-R511 PolarHBondContact O-N 2.94Å; M508-R511 VanDerWaalsContact O-N 3.13Å; L509-R511 PolarHBondContact O-N 2.92Å
512R47.7Very low41Very low225 Ų225163 Ų16385%0.84975%0.751SS**SBendtrans-118.889.3175.1-84.6-178164.3154.9-4.2110.6L509 N514L509-R512 PolarHBondContact O-N 3.49Å; R512-N514 PolarHBondContact O-N 3.45Å
513G33.1Very low40.2Very low72 Ų72161.5 Ų161.574%0.74275%0.753SS**  trans-69.8110.1174.500000111.9
514N35.3Very low40Very low158 Ų158157.5 Ų157.585%0.84575%0.749SS**  trans176.377.5148-97.3-21.9000111.1R512R512-N514 PolarHBondContact O-N 3.45Å
515V37.1Very low39.6Very low126 Ų126162.8 Ų162.876%0.76476%0.76SS**  trans-143110162-169.30000110.3F517V515-F517 HydrophobicContact CG1-CD2 3.85Å; V515-F517 HydrophobicContact CG1-CE2 4.37Å
516N33.6Very low39.8Very low161 Ų161166.3 Ų166.386%0.86178%0.776SS**  trans-85.5119.8168.1-80.5-46.4000109.8
517F34.5Very low39.9Very low200 Ų200166.2 Ų166.288%0.87778%0.776SS**  trans-133.1110.7161.5-101.5-80.1000111.2V515V515-F517 HydrophobicContact CG1-CD2 3.85Å; V515-F517 HydrophobicContact CG1-CE2 4.37Å
518L34.3Very low40Very low159 Ų159159.9 Ų159.983%0.83276%0.76SS**  trans-83.1159.8175-78.5165.1000111.7
519R34.7Very low40Very low230 Ų230158.7 Ų158.787%0.86875%0.753SS**  trans65.897.4158.9-76.2176.1163.4172.7-4.1118.3
520K35.7Very low40Very low214 Ų214160.9 Ų160.993%0.9375%0.753SS**  -178.914889.8-98.3170.4179.4176.40112.1
521R32.1Very low39.6Very low236 Ų236160.2 Ų160.289%0.89174%0.744SS**  trans-71.8139.8-179.3-64.4173172.3169.5-5112.3
522R35.8Very low39.3Very low221 Ų221155.1 Ų155.183%0.83473%0.73SS**  162.9143.1122.6-86.1172.2-143.9-159.74.4110.9
523H35.8Very low39Very low177 Ų177146.6 Ų146.682%0.81971%0.712SS**  trans68.369169.9-50.4-66.1000119.3
524V38.3Very low39.3Very low109 Ų109145.4 Ų145.466%0.66170%0.695SS**  trans-143.4104.9144.9-173.60000107.6F527V524-F527 HydrophobicContact CG1-CB 3.63Å
525K41.7Very low39.4Very low154 Ų154142.3 Ų142.367%0.6768%0.678SS**SBendtrans-115.7-53170.6-143.7-171.9177.8-1540109.8F527 V528K525-F527 PolarHBondContact O-N 3.38Å; K525-V528 PolarHBondContact O-N 3Å; K525-V528 VanDerWaalsContact O-N 3.13Å
526D51.1Low39.5Very low136 Ų136147.6 Ų147.673%0.72768%0.684SS**Hα-helixtrans-57.9-23.8-175.5-42.39.2000115.3Y530D526-Y530 WeakPolarHBondContact O-CB 3.3Å; D526-Y530 PolarHBondContact O-N 3.45Å
527F41.5Very low39.7Very low127 Ų127146.6 Ų146.656%0.55767%0.672SS**Hα-helixtrans-85.8-26.1-178.2-170-111.2000113.5V524 K525 L531V524-F527 HydrophobicContact CG1-CB 3.63Å; K525-F527 PolarHBondContact O-N 3.38Å; F527-L531 HydrophobicContact CD1-CD1 3.87Å; F527-L531 HydrophobicContact CE1-CD1 3.39Å; F527-L531 HydrophobicContact CE1-CG 4.41Å; F527-L531 HydrophobicContact CZ-CD1 3.8Å; F527-L531 HydrophobicContact CZ-CG 4.45Å; F527-L531 PolarHBondContact O-N 3.31Å; F527-L531 VanDerWaalsContact O-N 3.15Å
528V45.7Very low39.8Very low72 Ų72141.2 Ų141.244%0.43666%0.656SS.*Hα-helixtrans-75.4-46.7177.2179.30000109.1K525 Y530 L531 E532K525-V528 PolarHBondContact O-N 3Å; K525-V528 VanDerWaalsContact O-N 3.13Å; V528-Y530 VanDerWaalsContact C-N 3.28Å; V528-Y530 PolarHBondContact O-N 2.69Å; V528-L531 CarbonylContact O-C 3.53Å; V528-L531 PolarHBondContact O-N 3.34Å; V528-E532 HydrophobicContact CG1-CG 4.21Å; V528-E532 WeakPolarHBondContact O-CG 3.25Å; V528-E532 PolarHBondContact O-N 2.93Å
529E45.8Very low39.6Very low112 Ų112137.2 Ų137.252%0.52365%0.653SS.*Hα-helixtrans-58.1-38.5174.2-67.3164.7-163.200112G533E529-G533 PolarHBondContact O-N 3.16Å
530Y44.8Very low39.6Very low174 Ų174129.9 Ų129.968%0.68263%0.63SS**Hα-helixtrans-66.2-37.5173.9-174.9-94.5000113.2D526 V528 A534D526-Y530 WeakPolarHBondContact O-CB 3.3Å; D526-Y530 PolarHBondContact O-N 3.45Å; V528-Y530 VanDerWaalsContact C-N 3.28Å; V528-Y530 PolarHBondContact O-N 2.69Å; Y530-A534 WeakPolarHBondContact O-CB 3.28Å; Y530-A534 PolarHBondContact O-N 2.99Å
531L42.9Very low39.6Very low75 Ų75125.6 Ų125.639%0.39362%0.622SS.*Hα-helixtrans-75.8-40.9177.2-92.6166.1000112.5F527 V528 A534 L535F527-L531 HydrophobicContact CD1-CD1 3.87Å; F527-L531 HydrophobicContact CE1-CD1 3.39Å; F527-L531 HydrophobicContact CE1-CG 4.41Å; F527-L531 HydrophobicContact CZ-CD1 3.8Å; F527-L531 HydrophobicContact CZ-CG 4.45Å; F527-L531 PolarHBondContact O-N 3.31Å; F527-L531 VanDerWaalsContact O-N 3.15Å; V528-L531 CarbonylContact O-C 3.53Å; V528-L531 PolarHBondContact O-N 3.34Å; L531-A534 PolarHBondContact O-N 2.69Å; L531-L535 WeakPolarHBondContact O-CB 3.36Å; L531-L535 VanDerWaalsContact O-CG 3.25Å; L531-L535 WeakPolarHBondContact O-CG 3.36Å; L531-L535 PolarHBondContact O-N 3.35Å
532E43.9Very low39.6Very low120 Ų120122.1 Ų122.156%0.56162%0.621SS**Hα-helixtrans-64.9-43.2177.1-72.7178.3153.300110.7V528 A534 L535 W536V528-E532 HydrophobicContact CG1-CG 4.21Å; V528-E532 WeakPolarHBondContact O-CG 3.25Å; V528-E532 PolarHBondContact O-N 2.93Å; E532-A534 VanDerWaalsContact C-N 3.3Å; E532-A534 PolarHBondContact O-N 3Å; E532-L535 PolarHBondContact O-N 3.47Å; E532-W536 WeakPolarHBondContact O-CB 3.27Å; E532-W536 PolarHBondContact O-N 3.2Å
533G42.1Very low39.7Very low46 Ų46122 Ų12247%0.47462%0.622SS.*Hα-helixtrans-62.2-32.3172.100000114.3E529E529-G533 PolarHBondContact O-N 3.16Å
534A37.9Very low39.4Very low46 Ų46116.9 Ų116.938%0.3862%0.616SS.*Hα-helixtrans-78.4-33.3175.700000113.2Y530 L531 E532 F537 T538Y530-A534 WeakPolarHBondContact O-CB 3.28Å; Y530-A534 PolarHBondContact O-N 2.99Å; L531-A534 PolarHBondContact O-N 2.69Å; E532-A534 VanDerWaalsContact C-N 3.3Å; E532-A534 PolarHBondContact O-N 3Å; A534-F537 PolarHBondContact O-N 3.47Å; A534-T538 PolarHBondContact O-OG1 3.09Å
535L38.6Very low39.2Very low94 Ų94118.3 Ų118.349%0.49263%0.625SS.*Hα-helixtrans-75.5-37.4177.9-73.5166.3000111.7L531 E532 F537 T538L531-L535 WeakPolarHBondContact O-CB 3.36Å; L531-L535 VanDerWaalsContact O-CG 3.25Å; L531-L535 WeakPolarHBondContact O-CG 3.36Å; L531-L535 PolarHBondContact O-N 3.35Å; E532-L535 PolarHBondContact O-N 3.47Å; L535-F537 PolarHBondContact O-N 2.97Å; L535-T538 PolarHBondContact O-N 3.41Å; L535-T538 VanDerWaalsContact O-N 3.17Å; L535-T538 PolarHBondContact O-OG1 3.45Å
536W39.2Very low38.7Very low237 Ų237120.7 Ų120.790%0.89864%0.635SS**Hα-helixtrans-59.2-30.3171.5-124.368.1000112.5E532E532-W536 WeakPolarHBondContact O-CB 3.27Å; E532-W536 PolarHBondContact O-N 3.2Å
537F37.3Very low37.9Very low140 Ų140126 Ų12661%0.61465%0.645SS**THydrogen-bonded Turntrans-83-6.5179.7-114.2-74.7000115.6A534 L535A534-F537 PolarHBondContact O-N 3.47Å; L535-F537 PolarHBondContact O-N 2.97Å
538T36.6Very low37.3Very low86 Ų86125.1 Ų125.153%0.52866%0.655SS.*THydrogen-bonded Turntrans-117.5-6.3-172.1490000115.3A534 L535 I540A534-T538 PolarHBondContact O-OG1 3.09Å; L535-T538 PolarHBondContact O-N 3.41Å; L535-T538 VanDerWaalsContact O-N 3.17Å; L535-T538 PolarHBondContact O-OG1 3.45Å; T538-I540 VanDerWaalsContact C-N 3.28Å; T538-I540 PolarHBondContact O-N 3.07Å
539G30.4Very low36.7Very low75 Ų75132.1 Ų132.177%0.77368%0.68SS**THydrogen-bonded Turntrans64.428.4170.800000114.6
540I34.9Very low35.9Very low77 Ų77133.9 Ų133.940%0.39569%0.693SS.*  trans-113.798.3177.7-62.4171.6000109T538 L542T538-I540 VanDerWaalsContact C-N 3.28Å; T538-I540 PolarHBondContact O-N 3.07Å; I540-L542 HydrophobicContact CG2-CG 4.44Å; I540-L542 PolarHBondContact O-N 3.08Å
541T34.4Very low35.4Very low124 Ų124133.5 Ų133.576%0.76170%0.701SS**  trans-77.798.6166.232.50000110.2Y543T541-Y543 PolarHBondContact O-N 2.93Å
542L33.4Very low34.9Very low163 Ų163138.2 Ų138.285%0.85372%0.718SS**  trans-84.283.3166.5-103.3162.6000109.7I540I540-L542 HydrophobicContact CG2-CG 4.44Å; I540-L542 PolarHBondContact O-N 3.08Å
543Y36.8Very low34.3Very low218 Ų218138.3 Ų138.386%0.85573%0.73SS**  trans-84.7115.8168.6-103.2-83.3000110T541T541-Y543 PolarHBondContact O-N 2.93Å
544G29.8Very low33.8Very low69 Ų69145.7 Ų145.771%0.71175%0.749SS**  trans-160.116.9-169.200000117.3
545V34.1Very low33.5Very low140 Ų140148.3 Ų148.385%0.84876%0.763SS**  trans-137.4115168.1-174.30000110.7R547V545-R547 PolarHBondContact O-N 3.24Å
546K31.2Very low33Very low203 Ų203149.9 Ų149.988%0.88378%0.777SS**  trans-63.2129.2174.4-67.6173.5175.5175.90111
547R33.8Very low32.7Very low248 Ų248147.6 Ų147.694%0.93677%0.774SS**  trans-147.7127.7140.2-109.5173.4-167.3-176.73110.4V545V545-R547 PolarHBondContact O-N 3.24Å
548S30.4Very low32.4Very low108 Ų108150.3 Ų150.376%0.75578%0.781SS**  trans-79123-169.847.10000112.8
549F31.7Very low32.3Very low219 Ų219153.8 Ų153.896%0.96180%0.795SS**  trans-134.3148.4147.6-94.3-80.7000109.5
550N29Very low32.3Very low150 Ų150158.5 Ų158.580%0.80280%0.796SS**  trans-117.293.4-150.7-174.38.8000111.1
551I34.9Very low32.3Very low166 Ų166166.4 Ų166.485%0.85182%0.821SS**  trans-135.1127.8170.4-59.8176.9000108.6
552K31.3Very low32.4Very low173 Ų173170.2 Ų170.275%0.75283%0.827SS**  trans-72.2137.4-171.6-61.3172.1177.9175.80112.2
553P32.7Very low32.4Very low123 Ų123170 Ų17080%0.79982%0.822SS**  trans-80.9137.5161.133.1-30.7000110.1
554F32.2Very low32.4Very low200 Ų200164.1 Ų164.188%0.87782%0.818SS**  trans-113.2120.3170.2-116.8-80.8000109.9
555C30.3Very low32.6Very low102 Ų102169 Ų16969%0.68982%0.82SS**  trans-85.4151.1178.4-74.30000112.7
556T28.6Very low32.8Very low127 Ų127172.5 Ų172.578%0.77982%0.819SS**  trans57.3122.7148.654.70000120
557K32.7Very low32.8Very low189 Ų189169.8 Ų169.882%0.82281%0.813SS**  -178.1133.2113.8-99.3170.3177178.50113.7
558Y31.1Very low32.9Very low197 Ų197164.7 Ų164.777%0.77380%0.804SS**  trans29.1120.7144.2-75.4-105000120.8
559I33.9Very low33.1Very low158 Ų158167.2 Ų167.281%0.8180%0.804SS**  -139103.9127.2-58.3-174.9000110R561I559-R561 HydrophobicContact CG2-CB 4.28Å
560H31.2Very low33.3Very low175 Ų175163.6 Ų163.681%0.8179%0.793SS**  trans-78.5133.2148.3-91.4-79.1000107.8
561R34.9Very low33.7Very low242 Ų242161.4 Ų161.491%0.91379%0.787SS**  trans-145.3144.1156.2-116.4176.5-175.7-173.70.4112.4I559I559-R561 HydrophobicContact CG2-CB 4.28Å
562K35.8Very low33.9Very low205 Ų205163.2 Ų163.289%0.89179%0.789SS**  trans-76.7162.7-157.8-70.8174.6169.1-178.10115.3
563E33.2Very low34.2Very low158 Ų158158.2 Ų158.274%0.73879%0.786SS**  trans-25.6154.8161.9-54.7179165.400118.1K565E563-K565 WeakPolarHBondContact OE2-CE 3.4Å
564A37.4Very low34.4Very low94 Ų94159.5 Ų159.578%0.77779%0.785SS**  trans-120.3127150.700000109.6
565K35.2Very low34.7Very low171 Ų171158 Ų15874%0.74378%0.781SS**  trans-111.3135.6172.8-79-178.3179.1175.20111E563E563-K565 WeakPolarHBondContact OE2-CE 3.4Å
566Y36.7Very low35.1Very low214 Ų214157.9 Ų157.984%0.83978%0.781SS**  trans-137.5142.6156.5-66.5-86.9000104.5
567L32.9Very low35.6Very low146 Ų146160.2 Ų160.276%0.76478%0.784SS**  cis-161.4169.65.5-118.2162.7000109.7
568L34.4Very low36.2Very low141 Ų141155.8 Ų155.874%0.73877%0.774SS**  trans89.3133158.1-74.1151.6000121.9
569H35.2Very low36.4Very low162 Ų162156 Ų15675%0.7578%0.775SS**  trans60.3135.2175.9-77.5-85.3000119.7
570I36.5Very low36.7Very low142 Ų142156.5 Ų156.573%0.72877%0.771SS**  cis174.1146.9-37.1-98.9168.4000104.1
571P37.3Very low37.2Very low105 Ų105154 Ų15468%0.68277%0.768SS**  trans-126.7174.6-141.835.2-18.2000116.3
572K38.7Very low37.3Very low204 Ų204146.6 Ų146.689%0.88776%0.759SS**  163.4149.5117.1-89.7178.5-177.9-176.10115.5
573G37.1Very low37.6Very low68 Ų68143.8 Ų143.870%0.70176%0.759SS**  trans99.8135.815600000116
574L36.6Very low37.9Very low149 Ų149140.1 Ų140.178%0.7876%0.763SS**  cis-152.5152.6-10.1-130106.3000108.9
575E39.1Very low38Very low169 Ų169144 Ų14479%0.7977%0.77SS**  trans12.4154.8151.4-66.6162.5-161.500122.9
576S39.8Very low38.1Very low99 Ų99141.2 Ų141.269%0.69277%0.77SS**  cis-169.5142.2-18.457.90000112.5
577Q38.1Very low37.9Very low177 Ų177136.6 Ų136.683%0.82777%0.768SS**  trans57.2157.3142.7-69.2-83.1-35.400124.1
578P45.7Very low38.4Very low96 Ų96134.8 Ų134.862%0.62376%0.764SS**  trans-136.6-148.7-155.947-27.9000115.4
579Y36Very low38.4Very low202 Ų202133 Ų13379%0.79276%0.763SS**  trans95147.8177.9-70.2-72.7000115.1
580K39.6Very low38.5Very low167 Ų167130.9 Ų130.973%0.72676%0.761SS**  cis-159.9149.619.1-139.1163.1-167.7176.80113.2
581T40.3Very low38.5Very low123 Ų123130.4 Ų130.476%0.75577%0.765SS**  trans46117.1145.646.10000121.1
582A38.3Very low38.5Very low86 Ų86129.8 Ų129.871%0.71176%0.763SS**  102.6160.181.500000111.5
583T41.4Very low38.4Very low147 Ų147126.9 Ų126.990%0.90276%0.763SS**  cis-162.5156.2-3.2-0.30000109.4
584G39.1Very low38.4Very low80 Ų80126.7 Ų126.783%0.82576%0.761SS**  trans155108.6163.900000118.2
585L39.7Very low38.6Very low175 Ų175125.5 Ų125.592%0.91676%0.76SS**  trans-96.7179.1165.5-83.5146.1000109.6
586P38.3Very low38.7Very low114 Ų114124.7 Ų124.774%0.7476%0.761SS**  cis-136.3178.7-29.933.2-12.6000115.6
587C32.8Very low38.6Very low117 Ų117124.7 Ų124.779%0.79176%0.761SS**  trans-22.1177.3151.9-83.90000121.2
588P42Very low38.8Very low107 Ų107122 Ų12270%0.69576%0.762SS**  cis-140.7-171.6-28.834.4-12.7000114.2
589C35.4Very low38.5Very low104 Ų104121.3 Ų121.370%0.70376%0.764SS**  trans142.4121.9134.7-770000118.1
590T36.4Very low38.8Very low118 Ų118116.6 Ų116.672%0.72476%0.761SS**  trans60.8131.1137.456.40000125
591T37.2Very low39Very low131 Ų131117.8 Ų117.880%0.80477%0.769SS**  trans64.8147.714448.30000119.9
592S36.9Very low39Very low93 Ų93116 Ų11665%0.6577%0.766SS**  cis-171.6160.6-10.948.90000111.5
593T36.4Very low39.3Very low143 Ų143118.9 Ų118.988%0.87778%0.775SS**  trans60.8137.4149.946.60000123.1
594G38.2Very low39.3Very low64 Ų64119.8 Ų119.866%0.6677%0.771SS**  trans130.185.8159.500000114.2
595T39.7Very low39.5Very low124 Ų124122.1 Ų122.176%0.76177%0.769SS**  75.4133.681.759.30000117.2
596N40.8Very low39.7Very low151 Ų151120 Ų12081%0.80776%0.759SS**  trans78.3147.1162.7-53.2-18.2000117.7
597S38.8Very low39.7Very low99 Ų99119.4 Ų119.469%0.69276%0.757SS**  cis-177170.7-22.251.80000109.6
598S41.1Very low40.1Very low120 Ų120119 Ų11984%0.83976%0.756SS**  trans78.1149.3169.487.20000116.8
599A40.9Very low39.9Very low82 Ų82121.7 Ų121.768%0.67876%0.764SS**  cis-151.8150.7-0.100000113.9
600S41.5Very low40.2Very low103 Ų103126.2 Ų126.272%0.7277%0.774SS**  trans26.1127.1144.958.90000122.8
601H44.2Very low40.4Very low193 Ų193125.2 Ų125.289%0.89477%0.772SS**  -159.6154.2101.1-120.5-81.7000112.5
602A39.1Very low40.3Very low85 Ų85126.2 Ų126.270%0.70277%0.772SS**  trans-132.4153.7-172.900000112.8
603T45.7Very low40.5Very low146 Ų146127.3 Ų127.390%0.89678%0.777SS**  trans-147.2138.5154.9-45.20000109.7
604M41.1Very low40.5Very low166 Ų166126.2 Ų126.282%0.81877%0.77SS**  trans-93.9172.5-178.1-5317683.900112.5
605V43.8Very low40.7Very low130 Ų130130 Ų13079%0.78878%0.78SS**  -173.6121.7121.8160.30000111.4
606N42.8Very low40.6Very low131 Ų131129.5 Ų129.570%0.70178%0.782SS**  trans27.5123.8147.5-61.1-0.1000121.4
607S39.7Very low40.9Very low100 Ų100129.3 Ų129.370%0.69979%0.787SS**  70.4116.861.977.20000115
608S40.7Very low41.1Very low110 Ų110130.4 Ų130.477%0.76979%0.794SS**  -168.4136.786.3-570000109.8
609L37Very low41.2Very low163 Ų163128.5 Ų128.585%0.85379%0.793SS**  64.2104.970.3-105.6171.9000116.4
610Q42.7Very low41.3Very low198 Ų198133.8 Ų133.893%0.92580%0.804SS**  trans-171162.6135-105.5172.626.700112.2
611S40.2Very low41.1Very low97 Ų97133.9 Ų133.968%0.67881%0.811SS**  trans-146.9141.9-154.855.70000114.6
612L34.3Very low40.9Very low152 Ų152128.4 Ų128.480%0.79681%0.807SS**  trans58.1163.1154.5-96.887.6000117.5
613P42.7Very low41Very low116 Ų116135.9 Ų135.975%0.75382%0.818SS**  cis-137.8172.431.140.9-21.3000118.4
614T35.1Very low40.7Very low120 Ų120132.2 Ų132.274%0.73681%0.809SS**  trans-68.714216747.90000113.2
615T43.6Very low40.7Very low143 Ų143132 Ų13288%0.87781%0.812SS**  trans-134.5130.7155.428.80000110.8
616S37.1Very low40.6Very low115 Ų115135 Ų13580%0.80482%0.817SS**  trans-98.1140.8177.452.50000110.9
617T47.2Very low40.8Very low147 Ų147134.8 Ų134.890%0.90282%0.82SS**  trans-142.4131.9159.9-11.80000110.5
618S42.2Very low40.8Very low122 Ų122139.1 Ų139.185%0.85383%0.829SS**  trans-84151.2-17839.40000112.4
619G43.7Very low40.9Very low79 Ų79144.4 Ų144.481%0.81483%0.832SS**  trans-163120.9170.700000109.4
620E42Very low41.2Very low193 Ų193141.3 Ų141.390%0.90282%0.817SS**  trans-92.6161.6-164-64.4178.8119.900114.8
621A38.3Very low41.3Very low106 Ų106137.5 Ų137.588%0.87681%0.809SS**  trans67108.4148.700000120.2
622G39.5Very low41.6Very low77 Ų77135.6 Ų135.679%0.79480%0.796SS**  trans-165.891.6162.100000111.6
623Y40.8Very low41.9Very low243 Ų243134 Ų13495%0.95379%0.792SS**  trans-63.7130.2-179.6-96.6-103.9000112.2
624G40.1Very low41.8Very low68 Ų68134.4 Ų134.470%0.70179%0.787SS**  trans-163.5114171.900000112.6Q626G624-Q626 PolarHBondContact O-N 3.34Å
625N40.7Very low41.9Very low163 Ų163138.8 Ų138.887%0.87279%0.792SS**  trans-63114.5-177.5-69.5-36.1000112.1
626Q41.8Very low41.6Very low193 Ų193142.4 Ų142.490%0.90279%0.789SS**  trans-92.7116.6159.1-71.7-160.6-3.900109.9G624 E628G624-Q626 PolarHBondContact O-N 3.34Å; Q626-E628 PolarHBondContact O-N 3.32Å
627V47.1Very low42.3Very low126 Ų126141.6 Ų141.676%0.76478%0.775SS**  trans-85.3106.3166.9176.20000107.5R629V627-R629 PolarHBondContact O-N 2.84Å
628E40.4Very low42.9Very low191 Ų191138.5 Ų138.589%0.89375%0.753SS**  trans-55.9119.7172.7-168.1172.2-154.200109.9Q626Q626-E628 PolarHBondContact O-N 3.32Å
629R43.4Very low43.7Very low220 Ų220136.5 Ų136.583%0.8374%0.744SS**  trans-100114.7175.8-75.6-171.6-177.71752.8109.8V627 P631V627-R629 PolarHBondContact O-N 2.84Å; R629-P631 WeakPolarHBondContact O-CD 3.43Å
630D41.8Very low44.7Very low98 Ų98136.7 Ų136.752%0.52473%0.733SS.*  trans-56.9121.6173.7176.57.9000111.9S632 T633D630-S632 PolarHBondContact O-N 3.46Å; D630-S632 VanDerWaalsContact O-N 3.12Å; D630-S632 WeakPolarHBondContact OD1-CB 3.36Å; D630-S632 PolarHBondContact OD1-N 3.13Å; D630-S632 PolarHBondContact OD1-OG 2.97Å; D630-S632 WeakPolarHBondContact OD2-CB 3.49Å; D630-S632 PolarHBondContact OD2-OG 2.82Å; D630-T633 PolarHBondContact O-OG1 2.96Å
631P45Very low46.3Very low118 Ų118134.3 Ų134.377%0.76672%0.716SS**G310 helixtrans-60.4-14174.9-23.834.7000115.2R629 T633R629-P631 WeakPolarHBondContact O-CD 3.43Å; P631-T633 PolarHBondContact O-N 3.16Å
632S46.3Very low48.7Very low58 Ų58130.8 Ų130.841%0.40669%0.687SS.*G310 helixtrans-69-3-172.184.30000116.3D630D630-S632 PolarHBondContact O-N 3.46Å; D630-S632 VanDerWaalsContact O-N 3.12Å; D630-S632 WeakPolarHBondContact OD1-CB 3.36Å; D630-S632 PolarHBondContact OD1-N 3.13Å; D630-S632 PolarHBondContact OD1-OG 2.97Å; D630-S632 WeakPolarHBondContact OD2-CB 3.49Å; D630-S632 PolarHBondContact OD2-OG 2.82Å
633T40.8Very low51.3Low117 Ų117127.8 Ų127.872%0.71865%0.653SS**G310 helixtrans-91.3-3.3-169.6-270000114.6D630 P631D630-T633 PolarHBondContact O-OG1 2.96Å; P631-T633 PolarHBondContact O-N 3.16Å
634I40Very low53.8Low126 Ų126120.8 Ų120.865%0.64663%0.625SS**SBendtrans-113.9127.2-178.5-45.8-177.4000108.6
635Y37.9Very low56.4Low212 Ų212123 Ų12383%0.83162%0.621SS**  trans68.355.6-176.2-48.6-71.3000117.9L637Y635-L637 PolarHBondContact O-N 3.01Å
636R38.5Very low59Low219 Ų219118.1 Ų118.183%0.82660%0.595SS**  trans-74.579.9154.7-76.9-170-178.2179.42111.2
637L51.7Low61.6Low97 Ų97109.2 Ų109.251%0.50855%0.553SS.*  trans-49.6143.9145.3-89157.5000108.1M376 Y635 A639M376-L637 HydrophobicContact CE-CD2 4.2Å; Y635-L637 PolarHBondContact O-N 3.01Å; L637-A639 VanDerWaalsContact C-N 3.33Å; L637-A639 PolarHBondContact O-N 3.45Å
638D58Low64Low82 Ų82103.4 Ų103.444%0.43952%0.518SS..  trans-60.896175.8-176.42.5000108.1S640 R641D638-S640 PolarHBondContact O-N 3.47Å; D638-S640 PolarHBondContact OD1-OG 3.22Å; D638-S640 PolarHBondContact OD2-OG 3.44Å; D638-R641 HydrophobicContact CB-CG 4.36Å; D638-R641 PolarHBondContact O-N 3.35Å; D638-R641 IonicContact OD2-CZ 2.8Å; D638-R641 IonicContact OD2-NE 3.91Å; D638-R641 PolarHBondContact OD2-NE 3.01Å; D638-R641 IonicContact OD2-NH2 3.87Å; D638-R641 PolarHBondContact OD2-NH2 2.68Å
639A59.8Low66.8Low81 Ų8195.9 Ų95.967%0.66949%0.488SS*.THydrogen-bonded Turntrans-61.2-15.7-166.600000113.1L637 R641L637-A639 VanDerWaalsContact C-N 3.33Å; L637-A639 PolarHBondContact O-N 3.45Å; A639-R641 PolarHBondContact O-N 3.21Å
640S64.8Low69.3Low83 Ų8388 Ų8858%0.5846%0.461SS*.THydrogen-bonded Turntrans-66.7-14.3169.469.40000114.7D638D638-S640 PolarHBondContact O-N 3.47Å; D638-S640 PolarHBondContact OD1-OG 3.22Å; D638-S640 PolarHBondContact OD2-OG 3.44Å
641R76.2Confident72Confident142 Ų14283.3 Ų83.354%0.53644%0.436SS..SBendtrans-117.3-10.3-175-53.1-171.2-164.1-171.76.2114.6D638 A639 V699D638-R641 HydrophobicContact CB-CG 4.36Å; D638-R641 PolarHBondContact O-N 3.35Å; D638-R641 IonicContact OD2-CZ 2.8Å; D638-R641 IonicContact OD2-NE 3.91Å; D638-R641 PolarHBondContact OD2-NE 3.01Å; D638-R641 IonicContact OD2-NH2 3.87Å; D638-R641 PolarHBondContact OD2-NH2 2.68Å; A639-R641 PolarHBondContact O-N 3.21Å; R641-V699 PolarHBondContact O-N 3.18Å; R641-V699 VanDerWaalsContact O-N 3.09Å
642A88.7Confident74.6Confident32 Ų3277.7 Ų77.726%0.26440%0.399SS..BIsolated β-bridgetrans-71.1135.1174.500000109.5R644 A697A642-R644 PolarHBondContact O-N 3.24Å; A642-A697 CarbonylContact C-O 3.57Å; A642-A697 WeakPolarHBondContact CA-O 3.47Å
643V93.1Very high77Confident14 Ų1478.2 Ų78.29%0.08540%0.402CS..PPolyproline II helixtrans-68.6128.4169.2-1750000107.6Q647 L648 T693 A697 V699 L702V643-Q647 HydrophobicContact CG1-CB 4.19Å; V643-L648 HydrophobicContact CB-CD2 4.47Å; V643-L648 HydrophobicContact CG1-CD2 3.42Å; V643-L648 VanDerWaalsContact CG1-CD2 3.42Å; V643-L648 HydrophobicContact CG1-CG 3.95Å; V643-T693 HydrophobicContact CB-CG2 4.21Å; V643-A697 WeakPolarHBondContact CG2-O 3.23Å; V643-A697 PolarHBondContact N-O 3.47Å; V643-V699 HydrophobicContact CG2-CB 4.38Å; V643-V699 HydrophobicContact CG2-CG2 3.77Å; V643-L702 HydrophobicContact CB-CD2 4.27Å; V643-L702 HydrophobicContact CG1-CD2 3.71Å; V643-L702 HydrophobicContact CG2-CB 4.12Å; V643-L702 HydrophobicContact CG2-CD2 3.61Å
644R93.5Very high79.8Confident96 Ų9674.2 Ų74.236%0.36238%0.378SS..PPolyproline II helixtrans-96.8155.5-175.2-51.7-166.9-40.4-150.59.1112A642 D646 Q647 L648 Y723A642-R644 PolarHBondContact O-N 3.24Å; R644-D646 WeakPolarHBondContact CB-OD1 3.48Å; R644-D646 IonicContact CZ-OD1 3.29Å; R644-D646 IonicContact CZ-OD2 3.45Å; R644-D646 IonicContact NE-OD1 3.71Å; R644-D646 PolarHBondContact NE-OD1 3.03Å; R644-D646 IonicContact NE-OD2 2.88Å; R644-D646 VanDerWaalsContact NH2-CG 3.3Å; R644-D646 IonicContact NH2-OD1 2.7Å; R644-D646 PolarHBondContact NH2-OD1 2.89Å; R644-D646 VanDerWaalsContact NH2-OD1 3.14Å; R644-D646 IonicContact NH2-OD2 3.8Å; R644-D646 PolarHBondContact NH2-OD2 3.03Å; R644-D646 PolarHBondContact O-N 3.29Å; R644-Q647 HydrophobicContact CB-CG 4.44Å; R644-Q647 WeakPolarHBondContact O-CA 3.46Å; R644-Q647 WeakPolarHBondContact O-CB 3.38Å; R644-Q647 PolarHBondContact O-N 3.4Å; R644-L648 PolarHBondContact O-N 3.4Å; R644-Y723 VanDerWaalsContact NH1-CD1 3.29Å; R644-Y723 VanDerWaalsContact NH1-CG 3.27Å
645D95.1Very high82.5Confident114 Ų11468.8 Ų68.861%0.6135%0.35SS*.Hα-helixtrans-58.1-32.8-178.7-59.3-32.3000113.3L648 A649D645-L648 PolarHBondContact O-N 3.05Å; D645-A649 WeakPolarHBondContact O-CB 3.4Å; D645-A649 PolarHBondContact O-N 3.11Å
646D95.7Very high85.3Confident61 Ų6158.9 Ų58.933%0.32631%0.313SS..Hα-helixtrans-67.1-37.5174.568.7-56.2000112.2R644 E650 Y723R644-D646 WeakPolarHBondContact CB-OD1 3.48Å; R644-D646 IonicContact CZ-OD1 3.29Å; R644-D646 IonicContact CZ-OD2 3.45Å; R644-D646 IonicContact NE-OD1 3.71Å; R644-D646 PolarHBondContact NE-OD1 3.03Å; R644-D646 IonicContact NE-OD2 2.88Å; R644-D646 VanDerWaalsContact NH2-CG 3.3Å; R644-D646 IonicContact NH2-OD1 2.7Å; R644-D646 PolarHBondContact NH2-OD1 2.89Å; R644-D646 VanDerWaalsContact NH2-OD1 3.14Å; R644-D646 IonicContact NH2-OD2 3.8Å; R644-D646 PolarHBondContact NH2-OD2 3.03Å; R644-D646 PolarHBondContact O-N 3.29Å; D646-E650 WeakPolarHBondContact O-CB 3.41Å; D646-E650 PolarHBondContact O-N 2.71Å; D646-Y723 WeakPolarHBondContact OD2-CE2 3.46Å; D646-Y723 PolarHBondContact OD2-OH 3.03Å
647Q96.3Very high88.2Confident6 Ų656.2 Ų56.23%0.02832%0.315CS..Hα-helixtrans-68.3-39.5171.7-59.6-177.3-68.100111.3V643 R644 E650 L651 I719 Y723V643-Q647 HydrophobicContact CG1-CB 4.19Å; R644-Q647 HydrophobicContact CB-CG 4.44Å; R644-Q647 WeakPolarHBondContact O-CA 3.46Å; R644-Q647 WeakPolarHBondContact O-CB 3.38Å; R644-Q647 PolarHBondContact O-N 3.4Å; Q647-E650 PolarHBondContact O-N 2.95Å; Q647-L651 VanDerWaalsContact O-CB 3.26Å; Q647-L651 WeakPolarHBondContact O-CB 3.13Å; Q647-L651 WeakPolarHBondContact O-CD1 3.25Å; Q647-L651 WeakPolarHBondContact O-CG 3.19Å; Q647-L651 PolarHBondContact O-N 2.64Å; Q647-I719 HydrophobicContact CB-CG2 4.3Å; Q647-I719 PolarHBondContact NE2-O 3.05Å; Q647-Y723 HydrophobicContact CG-CD2 4Å; Q647-Y723 HydrophobicContact CG-CE2 4.06Å
648L97.3Very high90.4Very high4 Ų452.1 Ų52.12%0.02130%0.296CS..Hα-helixtrans-63.5-42.9176.1-64.8-172000112V643 R644 D645 S652 Y686 L689 T693 L702V643-L648 HydrophobicContact CB-CD2 4.47Å; V643-L648 HydrophobicContact CG1-CD2 3.42Å; V643-L648 VanDerWaalsContact CG1-CD2 3.42Å; V643-L648 HydrophobicContact CG1-CG 3.95Å; R644-L648 PolarHBondContact O-N 3.4Å; D645-L648 PolarHBondContact O-N 3.05Å; L648-S652 WeakPolarHBondContact O-CB 3.27Å; L648-S652 PolarHBondContact O-N 3.17Å; L648-S652 PolarHBondContact O-OG 2.73Å; L648-Y686 HydrophobicContact CB-CD2 4.26Å; L648-Y686 HydrophobicContact CB-CE2 3.92Å; L648-L689 HydrophobicContact CD2-CB 4.05Å; L648-L689 HydrophobicContact CD2-CD1 4.32Å; L648-T693 HydrophobicContact CD1-CG2 4.25Å; L648-T693 HydrophobicContact CD2-CG2 4.08Å; L648-L702 HydrophobicContact CD2-CD2 4.47Å
649A97.9Very high92.3Very high33 Ų3349.1 Ų49.127%0.27328%0.278SS..Hα-helixtrans-65.6-36177.300000112.6D645 S652 C653 Y686D645-A649 WeakPolarHBondContact O-CB 3.4Å; D645-A649 PolarHBondContact O-N 3.11Å; A649-S652 PolarHBondContact O-OG 3.03Å; A649-C653 PolarHBondContact O-SG 3.48Å; A649-Y686 HydrophobicContact CB-CE2 4.07Å
650E97.9Very high94.1Very high54 Ų5452 Ų5225%0.25227%0.272SS..Hα-helixtrans-78.2-39.5176.6-163.4178.2170.700112.3D646 Q647 S652 C653 V654 I719 R722D646-E650 WeakPolarHBondContact O-CB 3.41Å; D646-E650 PolarHBondContact O-N 2.71Å; Q647-E650 PolarHBondContact O-N 2.95Å; E650-S652 PolarHBondContact O-N 2.65Å; E650-C653 WeakPolarHBondContact O-CB 3.44Å; E650-C653 PolarHBondContact O-N 2.82Å; E650-V654 PolarHBondContact O-N 3.24Å; E650-I719 HydrophobicContact CB-CD1 4.38Å; E650-I719 HydrophobicContact CB-CG2 4.18Å; E650-I719 HydrophobicContact CG-CD1 3.77Å; E650-I719 HydrophobicContact CG-CG1 4.04Å; E650-I719 HydrophobicContact CG-CG2 4.45Å; E650-R722 VanDerWaalsContact CD-NH2 3.35Å; E650-R722 IonicContact OE1-CZ 2.91Å; E650-R722 IonicContact OE1-NH1 3.15Å; E650-R722 IonicContact OE1-NH2 3.28Å; E650-R722 PolarHBondContact OE1-NH2 3.1Å; E650-R722 IonicContact OE2-CZ 3.61Å; E650-R722 VanDerWaalsContact OE2-CZ 3.28Å; E650-R722 IonicContact OE2-NH1 3.65Å; E650-R722 PolarHBondContact OE2-NH1 2.95Å; E650-R722 IonicContact OE2-NH2 3.99Å; E650-R722 PolarHBondContact OE2-NH2 2.95Å; E650-R722 VanDerWaalsContact OE2-NH2 3.15Å
651L98.1Very high95.7Very high0 Ų052.3 Ų52.30%027%0.267CS..Hα-helixtrans-61.3-42.8173.6-73.5168.7000111.3Q647 C653 V654 V655 L689 L702 V716 I719 L720Q647-L651 VanDerWaalsContact O-CB 3.26Å; Q647-L651 WeakPolarHBondContact O-CB 3.13Å; Q647-L651 WeakPolarHBondContact O-CD1 3.25Å; Q647-L651 WeakPolarHBondContact O-CG 3.19Å; Q647-L651 PolarHBondContact O-N 2.64Å; L651-C653 PolarHBondContact O-N 3.44Å; L651-V654 PolarHBondContact O-N 2.76Å; L651-V655 VanDerWaalsContact O-CG2 3.22Å; L651-V655 WeakPolarHBondContact O-CG2 3.44Å; L651-V655 PolarHBondContact O-N 3.36Å; L651-L689 HydrophobicContact CB-CD1 4.06Å; L651-L702 HydrophobicContact CD1-CD2 3.83Å; L651-V716 HydrophobicContact CD2-CB 4.32Å; L651-V716 HydrophobicContact CD2-CG1 3.94Å; L651-V716 HydrophobicContact CD2-CG2 4.09Å; L651-I719 HydrophobicContact CD2-CB 4.25Å; L651-I719 HydrophobicContact CD2-CD1 4.22Å; L651-I719 HydrophobicContact CD2-CG2 4.11Å; L651-I719 HydrophobicContact CG-CG2 3.93Å; L651-L720 HydrophobicContact CD1-CD2 3.86Å; L651-L720 HydrophobicContact CD1-CG 4.4Å; L651-L720 HydrophobicContact CD2-CG 4.47Å
652S98.2Very high96.8Very high1 Ų145.5 Ų45.51%0.00724%0.242CC..Hα-helixtrans-60.7-30.2178.5760000112.9L648 A649 E650 G656 R682L648-S652 WeakPolarHBondContact O-CB 3.27Å; L648-S652 PolarHBondContact O-N 3.17Å; L648-S652 PolarHBondContact O-OG 2.73Å; A649-S652 PolarHBondContact O-OG 3.03Å; E650-S652 PolarHBondContact O-N 2.65Å; S652-G656 VanDerWaalsContact O-CA 3.22Å; S652-G656 WeakPolarHBondContact O-CA 3.31Å; S652-G656 PolarHBondContact O-N 3.34Å; S652-R682 WeakPolarHBondContact CB-O 3.25Å
653C98.1Very high97.2Very high69 Ų6944 Ų4447%0.46623%0.229SC..Hα-helixtrans-70.2-34.5171.3-65.70000113.6A649 E650 L651 R682A649-C653 PolarHBondContact O-SG 3.48Å; E650-C653 WeakPolarHBondContact O-CB 3.44Å; E650-C653 PolarHBondContact O-N 2.82Å; L651-C653 PolarHBondContact O-N 3.44Å; C653-R682 PolarHBondContact SG-NE 3.28Å; C653-R682 PolarHBondContact SG-NH2 3.02Å
654V98Very high97.4Very high33 Ų3347.8 Ų47.820%0.225%0.252CS..Hα-helixtrans-86.4-48.5-174.9176.70000111.9E650 L651 R715 V716 I719E650-V654 PolarHBondContact O-N 3.24Å; L651-V654 PolarHBondContact O-N 2.76Å; V654-R715 HydrophobicContact CG1-CB 4.43Å; V654-R715 HydrophobicContact CG1-CG 4.23Å; V654-R715 HydrophobicContact CG2-CG 4.21Å; V654-V716 HydrophobicContact CG1-CG2 3.99Å; V654-I719 HydrophobicContact CB-CD1 4.4Å; V654-I719 HydrophobicContact CG2-CD1 3.71Å
655V97.7Very high97.6Very high11 Ų1144.3 Ų44.37%0.06724%0.242CC..Hα-helixtrans-101.812.4-175.3-60.60000113.4L651 N657 G658 M685 L706 L711 V716L651-V655 VanDerWaalsContact O-CG2 3.22Å; L651-V655 WeakPolarHBondContact O-CG2 3.44Å; L651-V655 PolarHBondContact O-N 3.36Å; V655-N657 VanDerWaalsContact C-N 3.32Å; V655-N657 PolarHBondContact O-N 3.21Å; V655-G658 WeakPolarHBondContact O-CA 3.02Å; V655-G658 PolarHBondContact O-N 3.23Å; V655-M685 HydrophobicContact CB-CE 4.41Å; V655-M685 HydrophobicContact CG2-CE 3.42Å; V655-M685 VanDerWaalsContact CG2-CE 3.42Å; V655-M685 HydrophobicContact CG2-CG 4.08Å; V655-M685 HydrophobicContact CG2-SD 4.45Å; V655-L706 HydrophobicContact CG2-CD2 4.22Å; V655-L711 HydrophobicContact CB-CB 4.24Å; V655-L711 HydrophobicContact CB-CD1 4.26Å; V655-L711 HydrophobicContact CG1-CB 4.02Å; V655-L711 WeakPolarHBondContact CG1-O 3.32Å; V655-V716 HydrophobicContact CG1-CG2 3.44Å; V655-V716 VanDerWaalsContact CG1-CG2 3.44Å
656G97.6Very high97.6Very high5 Ų540 Ų405%0.05222%0.22CC..G310 helixtrans-48.1-47.8-177.700000114S652 G658 W659 A681S652-G656 VanDerWaalsContact O-CA 3.22Å; S652-G656 WeakPolarHBondContact O-CA 3.31Å; S652-G656 PolarHBondContact O-N 3.34Å; G656-G658 PolarHBondContact O-N 2.96Å; G656-W659 WeakPolarHBondContact O-CB 3.34Å; G656-W659 VanDerWaalsContact O-CD1 3.23Å; G656-W659 PolarHBondContact O-N 2.9Å; G656-W659 VanDerWaalsContact O-N 3.15Å; G656-A681 CarbonylContact C-O 3.55Å; G656-A681 WeakPolarHBondContact CA-O 3.42Å
657N97.7Very high97.7Very high163 Ų16344.3 Ų44.387%0.87224%0.238SC*.G310 helixtrans-61.2-19179.2-66.3-23000114.1V655V655-N657 VanDerWaalsContact C-N 3.32Å; V655-N657 PolarHBondContact O-N 3.21Å
658G98Very high97.7Very high10 Ų1045.3 Ų45.310%0.10324%0.243CC..G310 helixtrans-90.80.9-18000000115.4V655 G656 R660 N661 F662V655-G658 WeakPolarHBondContact O-CA 3.02Å; V655-G658 PolarHBondContact O-N 3.23Å; G656-G658 PolarHBondContact O-N 2.96Å; G658-R660 PolarHBondContact O-N 2.94Å; G658-N661 WeakPolarHBondContact O-CB 3.26Å; G658-N661 PolarHBondContact O-N 2.83Å; G658-F662 PolarHBondContact O-N 3.47Å; G658-F662 VanDerWaalsContact O-N 3.16Å
659W98.5Very high97.7Very high19 Ų1948.9 Ų48.97%0.07227%0.266CS..Hα-helixtrans-53.8-35.8-167.974.4-100.7000114.6G656 F662 A663 I673 C676 A677 A684 M685 V688G656-W659 WeakPolarHBondContact O-CB 3.34Å; G656-W659 VanDerWaalsContact O-CD1 3.23Å; G656-W659 PolarHBondContact O-N 2.9Å; G656-W659 VanDerWaalsContact O-N 3.15Å; W659-F662 PolarHBondContact O-N 3.26Å; W659-A663 VanDerWaalsContact O-CB 3.31Å; W659-A663 WeakPolarHBondContact O-CB 3.47Å; W659-A663 PolarHBondContact O-N 3.14Å; W659-I673 HydrophobicContact CH2-CG2 4.39Å; W659-I673 WeakPolarHBondContact CH2-O 3.46Å; W659-I673 HydrophobicContact CZ3-CG2 4.15Å; W659-C676 HydrophobicContact CE3-CB 3.98Å; W659-C676 HydrophobicContact CH2-CB 3.8Å; W659-C676 HydrophobicContact CZ3-CB 3.47Å; W659-C676 VanDerWaalsContact CZ3-CB 3.47Å; W659-A677 HydrophobicContact CH2-CB 3.96Å; W659-A677 HydrophobicContact CZ2-CB 4.26Å; W659-A684 HydrophobicContact CB-CB 4.42Å; W659-A684 HydrophobicContact CD2-CB 3.72Å; W659-A684 HydrophobicContact CE3-CB 4.29Å; W659-A684 HydrophobicContact CG-CB 3.77Å; W659-A684 HydrophobicContact CZ2-CB 4.44Å; W659-M685 VanDerWaalsContact CA-SD 3.6Å; W659-M685 HydrophobicContact CB-CB 3.84Å; W659-M685 HydrophobicContact CB-CG 4.35Å; W659-M685 HydrophobicContact CB-SD 3.75Å; W659-V688 HydrophobicContact CE3-CG2 4.34Å
660R98.3Very high97.7Very high141 Ų14152.6 Ų52.653%0.53228%0.278SS..Hα-helixtrans-64.6-45.6176.3-69.8-172.2178.2-176.6-0112.3G658 F662 A663 V664G658-R660 PolarHBondContact O-N 2.94Å; R660-F662 VanDerWaalsContact C-N 3.28Å; R660-F662 PolarHBondContact O-N 2.94Å; R660-A663 PolarHBondContact O-N 3.27Å; R660-V664 WeakPolarHBondContact O-CG2 3.36Å; R660-V664 PolarHBondContact O-N 2.84Å
661N98Very high97.7Very high90 Ų9054.6 Ų54.648%0.48130%0.295SS..Hα-helixtrans-61.6-41.4178.3-67.25.6000110.5G658 C665 A709G658-N661 WeakPolarHBondContact O-CB 3.26Å; G658-N661 PolarHBondContact O-N 2.83Å; N661-C665 VanDerWaalsContact O-CB 3.3Å; N661-C665 WeakPolarHBondContact O-CB 3.3Å; N661-C665 PolarHBondContact O-N 2.86Å; N661-C665 PolarHBondContact O-SG 3.43Å; N661-A709 HydrophobicContact CB-CB 4.5Å
662F98.3Very high97.6Very high0 Ų056.4 Ų56.40%031%0.306CS..Hα-helixtrans-65.8-48.5176.3-167.7-92.6000111.9G658 W659 R660 V664 C665 V666 M685 V688 L689 W692 L702 M705 L706 A709 L711G658-F662 PolarHBondContact O-N 3.47Å; G658-F662 VanDerWaalsContact O-N 3.16Å; W659-F662 PolarHBondContact O-N 3.26Å; R660-F662 VanDerWaalsContact C-N 3.28Å; R660-F662 PolarHBondContact O-N 2.94Å; F662-V664 VanDerWaalsContact C-N 3.33Å; F662-V664 PolarHBondContact O-N 3.33Å; F662-C665 WeakPolarHBondContact O-CA 3.39Å; F662-C665 WeakPolarHBondContact O-CB 3.41Å; F662-C665 PolarHBondContact O-N 3.45Å; F662-V666 HydrophobicContact CD1-CG1 4.1Å; F662-V666 HydrophobicContact CD1-CG2 4.41Å; F662-V666 HydrophobicContact CE1-CG1 3.68Å; F662-V666 HydrophobicContact CE1-CG2 4.36Å; F662-V666 HydrophobicContact CE2-CG1 4.38Å; F662-V666 HydrophobicContact CZ-CG1 3.84Å; F662-V666 WeakPolarHBondContact O-CG2 3.48Å; F662-V666 PolarHBondContact O-N 2.96Å; F662-M685 HydrophobicContact CB-CE 3.9Å; F662-M685 HydrophobicContact CB-SD 4.25Å; F662-M685 HydrophobicContact CD1-CE 4.07Å; F662-M685 HydrophobicContact CD2-CE 4.1Å; F662-M685 HydrophobicContact CG-CE 3.75Å; F662-M685 HydrophobicContact CG-SD 4.49Å; F662-V688 HydrophobicContact CD1-CG1 3.7Å; F662-V688 HydrophobicContact CE1-CG1 4.28Å; F662-L689 HydrophobicContact CD1-CD2 4.45Å; F662-L689 HydrophobicContact CE1-CD2 3.8Å; F662-L689 HydrophobicContact CE2-CD2 4.46Å; F662-L689 HydrophobicContact CZ-CD2 3.8Å; F662-W692 HydrophobicContact CE1-CB 4.39Å; F662-W692 HydrophobicContact CE1-CG 4.29Å; F662-W692 HydrophobicContact CZ-CD2 4.3Å; F662-W692 HydrophobicContact CZ-CE3 4.48Å; F662-W692 HydrophobicContact CZ-CG 4.5Å; F662-L702 HydrophobicContact CE2-CD1 4.06Å; F662-L702 HydrophobicContact CZ-CD1 3.76Å; F662-M705 HydrophobicContact CE2-CB 3.58Å; F662-M705 HydrophobicContact CZ-CB 3.91Å; F662-L706 HydrophobicContact CD2-CD2 3.76Å; F662-L706 HydrophobicContact CD2-CG 4.32Å; F662-L706 HydrophobicContact CE2-CD2 3.74Å; F662-L706 HydrophobicContact CE2-CG 3.87Å; F662-A709 HydrophobicContact CB-CB 4.26Å; F662-A709 HydrophobicContact CD2-CB 4.07Å; F662-L711 HydrophobicContact CB-CD1 3.85Å; F662-L711 HydrophobicContact CD2-CD1 4.45Å
663A98.2Very high97.6Very high0 Ų057.3 Ų57.30%031%0.311CS..Hα-helixtrans-56.6-43.4178.200000112.5W659 R660 V666 H667 M668 I673 V688W659-A663 VanDerWaalsContact O-CB 3.31Å; W659-A663 WeakPolarHBondContact O-CB 3.47Å; W659-A663 PolarHBondContact O-N 3.14Å; R660-A663 PolarHBondContact O-N 3.27Å; A663-V666 PolarHBondContact O-N 2.8Å; A663-H667 PolarHBondContact O-N 3.5Å; A663-M668 HydrophobicContact CB-CB 4.08Å; A663-M668 WeakPolarHBondContact O-CB 3.49Å; A663-M668 PolarHBondContact O-N 3.28Å; A663-I673 HydrophobicContact CB-CD1 4.37Å; A663-I673 HydrophobicContact CB-CG1 4.11Å; A663-V688 HydrophobicContact CB-CG1 3.96Å; A663-V688 HydrophobicContact CB-CG2 4.21Å
664V97.4Very high97.6Very high94 Ų9457.8 Ų57.857%0.5731%0.309SS*.Hα-helixtrans-65.7-42.3173.2174.60000111.5R660 F662 V666 H667R660-V664 WeakPolarHBondContact O-CG2 3.36Å; R660-V664 PolarHBondContact O-N 2.84Å; F662-V664 VanDerWaalsContact C-N 3.33Å; F662-V664 PolarHBondContact O-N 3.33Å; V664-V666 VanDerWaalsContact C-N 3.27Å; V664-V666 PolarHBondContact O-N 3.45Å; V664-H667 PolarHBondContact O-N 2.79Å; V664-H667 VanDerWaalsContact O-N 3.12Å
665C96.8Very high97.6Very high22 Ų2261.4 Ų61.415%0.14933%0.326CS..Hα-helixtrans-64.5-28179.7-76.80000114.2N661 F662 K708 A709N661-C665 VanDerWaalsContact O-CB 3.3Å; N661-C665 WeakPolarHBondContact O-CB 3.3Å; N661-C665 PolarHBondContact O-N 2.86Å; N661-C665 PolarHBondContact O-SG 3.43Å; F662-C665 WeakPolarHBondContact O-CA 3.39Å; F662-C665 WeakPolarHBondContact O-CB 3.41Å; F662-C665 PolarHBondContact O-N 3.45Å; C665-K708 HydrophobicContact CB-CD 4.22Å; C665-K708 HydrophobicContact CB-CG 4.4Å; C665-K708 PolarHBondContact O-NZ 3.34Å; C665-A709 HydrophobicContact CB-CB 4.09Å; C665-A709 VanDerWaalsContact SG-CA 3.58Å
666V96.5Very high97.7Very high25 Ų2561 Ų6115%0.15232%0.324CS..THydrogen-bonded Turntrans-96.98.2175.5-53.40000113.6F662 A663 V664 M668 W692 M705F662-V666 HydrophobicContact CD1-CG1 4.1Å; F662-V666 HydrophobicContact CD1-CG2 4.41Å; F662-V666 HydrophobicContact CE1-CG1 3.68Å; F662-V666 HydrophobicContact CE1-CG2 4.36Å; F662-V666 HydrophobicContact CE2-CG1 4.38Å; F662-V666 HydrophobicContact CZ-CG1 3.84Å; F662-V666 WeakPolarHBondContact O-CG2 3.48Å; F662-V666 PolarHBondContact O-N 2.96Å; A663-V666 PolarHBondContact O-N 2.8Å; V664-V666 VanDerWaalsContact C-N 3.27Å; V664-V666 PolarHBondContact O-N 3.45Å; V666-M668 VanDerWaalsContact C-N 3.32Å; V666-M668 HydrophobicContact CG2-CB 4.36Å; V666-M668 HydrophobicContact CG2-CE 4.25Å; V666-M668 PolarHBondContact O-N 3.06Å; V666-W692 HydrophobicContact CB-CG 4.41Å; V666-W692 HydrophobicContact CG1-CG 4.13Å; V666-M705 HydrophobicContact CG1-CB 4.11Å; V666-M705 HydrophobicContact CG1-CG 4.07Å; V666-M705 HydrophobicContact CG1-SD 4.39Å
667H96.4Very high97.7Very high151 Ų15162.8 Ų62.870%0.69934%0.339SS*.THydrogen-bonded Turntrans57.739.3178.5-54.6-76.9000114A663 V664A663-H667 PolarHBondContact O-N 3.5Å; V664-H667 PolarHBondContact O-N 2.79Å; V664-H667 VanDerWaalsContact O-N 3.12Å
668M96.6Very high97.7Very high27 Ų2762.7 Ų62.713%0.13333%0.333CS..  trans-62.3136.1177.4-163.767.97900110.9A663 V666 V672 I673 V688 L691A663-M668 HydrophobicContact CB-CB 4.08Å; A663-M668 WeakPolarHBondContact O-CB 3.49Å; A663-M668 PolarHBondContact O-N 3.28Å; V666-M668 VanDerWaalsContact C-N 3.32Å; V666-M668 HydrophobicContact CG2-CB 4.36Å; V666-M668 HydrophobicContact CG2-CE 4.25Å; V666-M668 PolarHBondContact O-N 3.06Å; M668-V672 HydrophobicContact CG-CB 3.85Å; M668-V672 HydrophobicContact CG-CG1 3.65Å; M668-V672 HydrophobicContact SD-CB 4.42Å; M668-V672 HydrophobicContact SD-CG1 3.93Å; M668-I673 HydrophobicContact CB-CD1 4.44Å; M668-I673 HydrophobicContact CB-CG1 4.23Å; M668-I673 HydrophobicContact CG-CG1 4.46Å; M668-I673 WeakPolarHBondContact O-CD1 3.23Å; M668-V688 HydrophobicContact CE-CB 4.36Å; M668-V688 HydrophobicContact CE-CG1 3.86Å; M668-L691 HydrophobicContact CE-CB 3.83Å; M668-L691 HydrophobicContact CE-CD1 4.29Å; M668-L691 HydrophobicContact SD-CB 4.41Å; M668-L691 HydrophobicContact SD-CD1 4.28Å
669P96.9Very high97.7Very high78 Ų7865.6 Ų65.651%0.50635%0.345SS..  trans-59.1142.4179.7-25.935000113.1P671 V672 I673P669-P671 VanDerWaalsContact C-CD 3.48Å; P669-V672 HydrophobicContact CB-CG2 4.36Å; P669-V672 WeakPolarHBondContact O-CB 3.46Å; P669-V672 PolarHBondContact O-N 2.75Å; P669-I673 PolarHBondContact O-N 2.94Å
670Q97.6Very high97.7Very high111 Ų11169 Ų6952%0.51936%0.364SS..Hα-helixtrans-53.3-42.3-177.3-170.861.14400114.1V672 I673 D674Q670-V672 PolarHBondContact O-N 3.45Å; Q670-I673 WeakPolarHBondContact O-CA 3.14Å; Q670-I673 WeakPolarHBondContact O-CB 3.35Å; Q670-I673 PolarHBondContact O-N 3.39Å; Q670-D674 PolarHBondContact NE2-OD1 3.1Å; Q670-D674 VanDerWaalsContact O-CG 3.27Å; Q670-D674 PolarHBondContact O-N 2.71Å
671P97.9Very high97.7Very high96 Ų9663.8 Ų63.862%0.62335%0.352SS*.Hα-helixtrans-59.8-30176.8-25.435.8000114.1P669 L675P669-P671 VanDerWaalsContact C-CD 3.48Å; P671-L675 WeakPolarHBondContact O-CB 3.49Å; P671-L675 PolarHBondContact O-N 3.42Å
672V97.7Very high97.7Very high38 Ų3865.5 Ų65.523%0.2335%0.351CS..Hα-helixtrans-74.7-38.5175.4-179.90000110.5M668 P669 Q670 D674 L675 C676 L691M668-V672 HydrophobicContact CG-CB 3.85Å; M668-V672 HydrophobicContact CG-CG1 3.65Å; M668-V672 HydrophobicContact SD-CB 4.42Å; M668-V672 HydrophobicContact SD-CG1 3.93Å; P669-V672 HydrophobicContact CB-CG2 4.36Å; P669-V672 WeakPolarHBondContact O-CB 3.46Å; P669-V672 PolarHBondContact O-N 2.75Å; Q670-V672 PolarHBondContact O-N 3.45Å; V672-D674 VanDerWaalsContact C-N 3.33Å; V672-L675 PolarHBondContact O-N 2.73Å; V672-C676 WeakPolarHBondContact O-CB 3.23Å; V672-C676 PolarHBondContact O-N 3.26Å; V672-C676 PolarHBondContact O-SG 2.92Å; V672-L691 HydrophobicContact CG1-CD1 3.57Å
673I98.2Very high97.7Very high21 Ų2168.5 Ų68.511%0.10837%0.367CS..Hα-helixtrans-62.8-41.8173.9-63.8174.8000110.3W659 A663 M668 P669 Q670 C676 A677W659-I673 HydrophobicContact CH2-CG2 4.39Å; W659-I673 WeakPolarHBondContact CH2-O 3.46Å; W659-I673 HydrophobicContact CZ3-CG2 4.15Å; A663-I673 HydrophobicContact CB-CD1 4.37Å; A663-I673 HydrophobicContact CB-CG1 4.11Å; M668-I673 HydrophobicContact CB-CD1 4.44Å; M668-I673 HydrophobicContact CB-CG1 4.23Å; M668-I673 HydrophobicContact CG-CG1 4.46Å; M668-I673 WeakPolarHBondContact O-CD1 3.23Å; P669-I673 PolarHBondContact O-N 2.94Å; Q670-I673 WeakPolarHBondContact O-CA 3.14Å; Q670-I673 WeakPolarHBondContact O-CB 3.35Å; Q670-I673 PolarHBondContact O-N 3.39Å; I673-C676 PolarHBondContact O-N 2.84Å; I673-A677 WeakPolarHBondContact O-CB 3.34Å; I673-A677 PolarHBondContact O-N 3.42Å
674D98Very high97.7Very high79 Ų7968.5 Ų68.542%0.42237%0.367SS..Hα-helixtrans-69.3-35179.2-62.7-27.6000112.5Q670 V672 A677 Q678Q670-D674 PolarHBondContact NE2-OD1 3.1Å; Q670-D674 VanDerWaalsContact O-CG 3.27Å; Q670-D674 PolarHBondContact O-N 2.71Å; V672-D674 VanDerWaalsContact C-N 3.33Å; D674-A677 PolarHBondContact O-N 3.06Å; D674-Q678 PolarHBondContact O-NE2 2.88Å
675L98.1Very high97.8Very high108 Ų10864 Ų6457%0.56534%0.34SS*.Hα-helixtrans-65.8-48.7170.5-178.764.5000111.1P671 V672 A677 Q678P671-L675 WeakPolarHBondContact O-CB 3.49Å; P671-L675 PolarHBondContact O-N 3.42Å; V672-L675 PolarHBondContact O-N 2.73Å; L675-A677 PolarHBondContact O-N 3.26Å; L675-Q678 WeakPolarHBondContact O-CB 3.35Å; L675-Q678 PolarHBondContact O-N 3.38Å; L675-Q678 VanDerWaalsContact O-N 3.1Å
676C98.2Very high97.9Very high3 Ų367.2 Ų67.22%0.0235%0.349CS..Hα-helixtrans-62.2-27.3177.4-67.30000112.4W659 V672 I673 Q678 M679 A684 V688W659-C676 HydrophobicContact CE3-CB 3.98Å; W659-C676 HydrophobicContact CH2-CB 3.8Å; W659-C676 HydrophobicContact CZ3-CB 3.47Å; W659-C676 VanDerWaalsContact CZ3-CB 3.47Å; V672-C676 WeakPolarHBondContact O-CB 3.23Å; V672-C676 PolarHBondContact O-N 3.26Å; V672-C676 PolarHBondContact O-SG 2.92Å; I673-C676 PolarHBondContact O-N 2.84Å; C676-Q678 PolarHBondContact O-N 3.43Å; C676-M679 PolarHBondContact O-N 3.38Å; C676-M679 VanDerWaalsContact O-N 3.16Å; C676-A684 HydrophobicContact CB-CB 4.08Å; C676-A684 WeakPolarHBondContact O-CB 3.39Å; C676-V688 HydrophobicContact CB-CG2 4.44Å
677A98.1Very high97.9Very high43 Ų4370.6 Ų70.636%0.35536%0.363SS..THydrogen-bonded Turntrans-66.6-16.3176.400000114.4W659 I673 D674 L675W659-A677 HydrophobicContact CH2-CB 3.96Å; W659-A677 HydrophobicContact CZ2-CB 4.26Å; I673-A677 WeakPolarHBondContact O-CB 3.34Å; I673-A677 PolarHBondContact O-N 3.42Å; D674-A677 PolarHBondContact O-N 3.06Å; L675-A677 PolarHBondContact O-N 3.26Å
678Q98.1Very high98Very high161 Ų16163.4 Ų63.475%0.75233%0.33SS*.THydrogen-bonded Turntrans-91.5-11.5176.6-59.4170.444.500112.5D674 L675 C676D674-Q678 PolarHBondContact O-NE2 2.88Å; L675-Q678 WeakPolarHBondContact O-CB 3.35Å; L675-Q678 PolarHBondContact O-N 3.38Å; L675-Q678 VanDerWaalsContact O-N 3.1Å; C676-Q678 PolarHBondContact O-N 3.43Å
679M98.2Very high98.1Very high70 Ų7062.1 Ų62.135%0.34532%0.324SS..SBendtrans-90.9162.9179.9-48.6-17083.100110.9C676 D683 A684C676-M679 PolarHBondContact O-N 3.38Å; C676-M679 VanDerWaalsContact O-N 3.16Å; M679-D683 HydrophobicContact CB-CB 4.39Å; M679-D683 HydrophobicContact CE-CB 4.03Å; M679-A684 HydrophobicContact CB-CB 4.24Å
680N98.2Very high98.1Very high91 Ų9159.8 Ų59.849%0.48731%0.314SS..  trans-67.2156.8166.671.463000110.1R682 D683 A684N680-R682 PolarHBondContact O-N 2.8Å; N680-R682 VanDerWaalsContact O-N 3.13Å; N680-R682 WeakPolarHBondContact OD1-CB 3.25Å; N680-R682 PolarHBondContact OD1-N 3.45Å; N680-D683 VanDerWaalsContact ND2-CG 3.34Å; N680-D683 PolarHBondContact ND2-OD2 3.46Å; N680-D683 PolarHBondContact O-N 3.46Å; N680-D683 VanDerWaalsContact O-N 3.16Å; N680-D683 PolarHBondContact OD1-N 2.81Å; N680-A684 WeakPolarHBondContact O-CB 3.18Å; N680-A684 PolarHBondContact O-N 2.79Å
681A98.3Very high98Very high32 Ų3258 Ų5826%0.26431%0.308SS..Hα-helixtrans-60.7-27.8-171.200000114.4G656 M685G656-A681 CarbonylContact C-O 3.55Å; G656-A681 WeakPolarHBondContact CA-O 3.42Å; A681-M685 WeakPolarHBondContact O-CB 3.4Å; A681-M685 PolarHBondContact O-N 3.32Å
682R98.1Very high97.9Very high126 Ų12654.6 Ų54.648%0.47528%0.282SS..Hα-helixtrans-71.1-52.4175.7179-167-178.7-170.10.8110.5S652 C653 N680 A684 M685 Y686S652-R682 WeakPolarHBondContact CB-O 3.25Å; C653-R682 PolarHBondContact SG-NE 3.28Å; C653-R682 PolarHBondContact SG-NH2 3.02Å; N680-R682 PolarHBondContact O-N 2.8Å; N680-R682 VanDerWaalsContact O-N 3.13Å; N680-R682 WeakPolarHBondContact OD1-CB 3.25Å; N680-R682 PolarHBondContact OD1-N 3.45Å; R682-A684 VanDerWaalsContact C-N 3.34Å; R682-A684 PolarHBondContact O-N 3.07Å; R682-M685 PolarHBondContact O-N 2.76Å; R682-M685 VanDerWaalsContact O-N 3.16Å; R682-Y686 PolarHBondContact O-N 3.41Å
683D98.4Very high97.8Very high62 Ų6253.8 Ų53.833%0.33228%0.278SS..Hα-helixtrans-68.5-37.2-175.9-60.7-13.3000110.8M679 N680 M685 Y686 H687M679-D683 HydrophobicContact CB-CB 4.39Å; M679-D683 HydrophobicContact CE-CB 4.03Å; N680-D683 VanDerWaalsContact ND2-CG 3.34Å; N680-D683 PolarHBondContact ND2-OD2 3.46Å; N680-D683 PolarHBondContact O-N 3.46Å; N680-D683 VanDerWaalsContact O-N 3.16Å; N680-D683 PolarHBondContact OD1-N 2.81Å; D683-M685 PolarHBondContact O-N 3.47Å; D683-Y686 PolarHBondContact O-N 3.23Å; D683-H687 PolarHBondContact O-CD2 3.3Å; D683-H687 PolarHBondContact O-N 2.73Å
684A98.6Very high97.5Very high0 Ų056.8 Ų56.80%030%0.301CS..Hα-helixtrans-55.1-48.9169.100000111.7W659 C676 M679 N680 R682 H687 V688W659-A684 HydrophobicContact CB-CB 4.42Å; W659-A684 HydrophobicContact CD2-CB 3.72Å; W659-A684 HydrophobicContact CE3-CB 4.29Å; W659-A684 HydrophobicContact CG-CB 3.77Å; W659-A684 HydrophobicContact CZ2-CB 4.44Å; C676-A684 HydrophobicContact CB-CB 4.08Å; C676-A684 WeakPolarHBondContact O-CB 3.39Å; M679-A684 HydrophobicContact CB-CB 4.24Å; N680-A684 WeakPolarHBondContact O-CB 3.18Å; N680-A684 PolarHBondContact O-N 2.79Å; R682-A684 VanDerWaalsContact C-N 3.34Å; R682-A684 PolarHBondContact O-N 3.07Å; A684-H687 PolarHBondContact O-N 3.24Å; A684-V688 WeakPolarHBondContact O-CB 3.14Å; A684-V688 VanDerWaalsContact O-CG2 3.27Å; A684-V688 WeakPolarHBondContact O-CG2 3.49Å; A684-V688 PolarHBondContact O-N 2.96Å
685M98.4Very high96.9Very high0 Ų061.1 Ų61.10%032%0.318CS..Hα-helixtrans-65.8-38.7177.8-168.854179.600112.5V655 W659 F662 A681 R682 D683 V688 L689 L706 L711V655-M685 HydrophobicContact CB-CE 4.41Å; V655-M685 HydrophobicContact CG2-CE 3.42Å; V655-M685 VanDerWaalsContact CG2-CE 3.42Å; V655-M685 HydrophobicContact CG2-CG 4.08Å; V655-M685 HydrophobicContact CG2-SD 4.45Å; W659-M685 VanDerWaalsContact CA-SD 3.6Å; W659-M685 HydrophobicContact CB-CB 3.84Å; W659-M685 HydrophobicContact CB-CG 4.35Å; W659-M685 HydrophobicContact CB-SD 3.75Å; F662-M685 HydrophobicContact CB-CE 3.9Å; F662-M685 HydrophobicContact CB-SD 4.25Å; F662-M685 HydrophobicContact CD1-CE 4.07Å; F662-M685 HydrophobicContact CD2-CE 4.1Å; F662-M685 HydrophobicContact CG-CE 3.75Å; F662-M685 HydrophobicContact CG-SD 4.49Å; A681-M685 WeakPolarHBondContact O-CB 3.4Å; A681-M685 PolarHBondContact O-N 3.32Å; R682-M685 PolarHBondContact O-N 2.76Å; R682-M685 VanDerWaalsContact O-N 3.16Å; D683-M685 PolarHBondContact O-N 3.47Å; M685-V688 PolarHBondContact O-N 3.11Å; M685-L689 HydrophobicContact CE-CD1 3.98Å; M685-L689 HydrophobicContact CE-CD2 3.88Å; M685-L689 HydrophobicContact CE-CG 3.8Å; M685-L689 HydrophobicContact CG-CD1 3.99Å; M685-L689 HydrophobicContact CG-CG 4.3Å; M685-L689 VanDerWaalsContact O-CB 3.26Å; M685-L689 WeakPolarHBondContact O-CB 3.14Å; M685-L689 VanDerWaalsContact O-CG 3.24Å; M685-L689 WeakPolarHBondContact O-CG 3.38Å; M685-L689 PolarHBondContact O-N 3.28Å; M685-L689 HydrophobicContact SD-CD1 4.48Å; M685-L689 HydrophobicContact SD-CG 4.22Å; M685-L706 HydrophobicContact CE-CD2 4.17Å; M685-L711 HydrophobicContact CE-CD1 4.19Å
686Y98.3Very high96.1Very high89 Ų8958.7 Ų58.735%0.34931%0.305SS..Hα-helixtrans-62.7-45.4176.8-172.4-98.8000111.6L648 A649 R682 D683 L689 G690L648-Y686 HydrophobicContact CB-CD2 4.26Å; L648-Y686 HydrophobicContact CB-CE2 3.92Å; A649-Y686 HydrophobicContact CB-CE2 4.07Å; R682-Y686 PolarHBondContact O-N 3.41Å; D683-Y686 PolarHBondContact O-N 3.23Å; Y686-L689 PolarHBondContact O-N 3.12Å; Y686-G690 PolarHBondContact O-N 3.35Å
687H97.9Very high95.4Very high96 Ų9659.9 Ų59.944%0.44432%0.315SS..Hα-helixtrans-63.6-46.1175-88.4-79.1000112.8D683 A684 L689 G690 L691D683-H687 PolarHBondContact O-CD2 3.3Å; D683-H687 PolarHBondContact O-N 2.73Å; A684-H687 PolarHBondContact O-N 3.24Å; H687-L689 VanDerWaalsContact C-N 3.35Å; H687-L689 PolarHBondContact O-N 3.32Å; H687-G690 PolarHBondContact O-N 3.28Å; H687-L691 WeakPolarHBondContact O-CB 3.18Å; H687-L691 WeakPolarHBondContact O-CG 3.11Å; H687-L691 PolarHBondContact O-N 2.95Å
688V98Very high95.1Very high0 Ų060.1 Ų60.10%031%0.313CS..Hα-helixtrans-62.4-42.9178.5171.30000111.1W659 F662 A663 M668 C676 A684 M685 W692W659-V688 HydrophobicContact CE3-CG2 4.34Å; F662-V688 HydrophobicContact CD1-CG1 3.7Å; F662-V688 HydrophobicContact CE1-CG1 4.28Å; A663-V688 HydrophobicContact CB-CG1 3.96Å; A663-V688 HydrophobicContact CB-CG2 4.21Å; M668-V688 HydrophobicContact CE-CB 4.36Å; M668-V688 HydrophobicContact CE-CG1 3.86Å; C676-V688 HydrophobicContact CB-CG2 4.44Å; A684-V688 WeakPolarHBondContact O-CB 3.14Å; A684-V688 VanDerWaalsContact O-CG2 3.27Å; A684-V688 WeakPolarHBondContact O-CG2 3.49Å; A684-V688 PolarHBondContact O-N 2.96Å; M685-V688 PolarHBondContact O-N 3.11Å; V688-W692 VanDerWaalsContact O-CB 3.31Å; V688-W692 WeakPolarHBondContact O-CB 3.35Å; V688-W692 PolarHBondContact O-N 3.34Å
689L97.9Very high94.9Very high0 Ų053.8 Ų53.80%029%0.285CS..Hα-helixtrans-64.3-46.3175.1-76.6172.9000111.9L648 L651 F662 M685 Y686 H687 W692 T693 L702L648-L689 HydrophobicContact CD2-CB 4.05Å; L648-L689 HydrophobicContact CD2-CD1 4.32Å; L651-L689 HydrophobicContact CB-CD1 4.06Å; F662-L689 HydrophobicContact CD1-CD2 4.45Å; F662-L689 HydrophobicContact CE1-CD2 3.8Å; F662-L689 HydrophobicContact CE2-CD2 4.46Å; F662-L689 HydrophobicContact CZ-CD2 3.8Å; M685-L689 HydrophobicContact CE-CD1 3.98Å; M685-L689 HydrophobicContact CE-CD2 3.88Å; M685-L689 HydrophobicContact CE-CG 3.8Å; M685-L689 HydrophobicContact CG-CD1 3.99Å; M685-L689 HydrophobicContact CG-CG 4.3Å; M685-L689 VanDerWaalsContact O-CB 3.26Å; M685-L689 WeakPolarHBondContact O-CB 3.14Å; M685-L689 VanDerWaalsContact O-CG 3.24Å; M685-L689 WeakPolarHBondContact O-CG 3.38Å; M685-L689 PolarHBondContact O-N 3.28Å; M685-L689 HydrophobicContact SD-CD1 4.48Å; M685-L689 HydrophobicContact SD-CG 4.22Å; Y686-L689 PolarHBondContact O-N 3.12Å; H687-L689 VanDerWaalsContact C-N 3.35Å; H687-L689 PolarHBondContact O-N 3.32Å; L689-W692 PolarHBondContact O-N 2.81Å; L689-T693 PolarHBondContact O-N 2.85Å; L689-T693 PolarHBondContact O-OG1 2.91Å; L689-L702 HydrophobicContact CD2-CD1 3.63Å
690G97.2Very high94.7Very high29 Ų2959.9 Ų59.930%0.29930%0.304SS..Hα-helixtrans-60.4-46.9179.800000112.7Y686 H687 W692 T693 S694Y686-G690 PolarHBondContact O-N 3.35Å; H687-G690 PolarHBondContact O-N 3.28Å; G690-W692 PolarHBondContact O-N 3.05Å; G690-T693 WeakPolarHBondContact CA-OG1 3.39Å; G690-T693 PolarHBondContact O-N 2.85Å; G690-T693 PolarHBondContact O-OG1 3.49Å; G690-S694 PolarHBondContact O-N 3.3Å; G690-S694 VanDerWaalsContact O-N 3.11Å
691L96.4Very high94.5Very high74 Ų7456.2 Ų56.239%0.38729%0.286SS..Hα-helixtrans-59.4-45.2173.6-72.2172.6000111.3M668 V672 H687 S694 H695M668-L691 HydrophobicContact CE-CB 3.83Å; M668-L691 HydrophobicContact CE-CD1 4.29Å; M668-L691 HydrophobicContact SD-CB 4.41Å; M668-L691 HydrophobicContact SD-CD1 4.28Å; V672-L691 HydrophobicContact CG1-CD1 3.57Å; H687-L691 WeakPolarHBondContact O-CB 3.18Å; H687-L691 WeakPolarHBondContact O-CG 3.11Å; H687-L691 PolarHBondContact O-N 2.95Å; L691-S694 WeakPolarHBondContact O-CB 3.35Å; L691-S694 PolarHBondContact O-N 3.02Å; L691-S694 PolarHBondContact O-OG 2.89Å; L691-H695 PolarHBondContact O-CD2 2.85Å
692W95.7Very high94.4Very high24 Ų2454.7 Ų54.79%0.09127%0.273CS..Hα-helixtrans-65.5-43178.7178.778.3000112.7F662 V666 V688 L689 G690 S694 H695 D696 L702 M705F662-W692 HydrophobicContact CE1-CB 4.39Å; F662-W692 HydrophobicContact CE1-CG 4.29Å; F662-W692 HydrophobicContact CZ-CD2 4.3Å; F662-W692 HydrophobicContact CZ-CE3 4.48Å; F662-W692 HydrophobicContact CZ-CG 4.5Å; V666-W692 HydrophobicContact CB-CG 4.41Å; V666-W692 HydrophobicContact CG1-CG 4.13Å; V688-W692 VanDerWaalsContact O-CB 3.31Å; V688-W692 WeakPolarHBondContact O-CB 3.35Å; V688-W692 PolarHBondContact O-N 3.34Å; L689-W692 PolarHBondContact O-N 2.81Å; G690-W692 PolarHBondContact O-N 3.05Å; W692-S694 PolarHBondContact O-N 3.21Å; W692-H695 PolarHBondContact O-N 2.9Å; W692-D696 HydrophobicContact CH2-CB 4.24Å; W692-D696 WeakPolarHBondContact CH2-O 3.21Å; W692-D696 HydrophobicContact CZ2-CB 3.96Å; W692-D696 WeakPolarHBondContact CZ3-O 3.41Å; W692-D696 PolarHBondContact O-N 2.85Å; W692-L702 HydrophobicContact CE3-CD1 4.05Å; W692-L702 VanDerWaalsContact CH2-CA 3.46Å; W692-L702 HydrophobicContact CH2-CB 3.77Å; W692-L702 HydrophobicContact CH2-CD1 4.43Å; W692-L702 VanDerWaalsContact CH2-N 3.25Å; W692-L702 HydrophobicContact CZ3-CB 3.62Å; W692-L702 HydrophobicContact CZ3-CD1 3.78Å; W692-L702 HydrophobicContact CZ3-CG 4.15Å; W692-M705 HydrophobicContact CZ2-CG 3.88Å
693T94.6Very high94.3Very high22 Ų2251.8 Ų51.814%0.13526%0.262CS..Hα-helixtrans-66.5-21.4177.345.60000113.7V643 L648 L689 G690 H695 A697V643-T693 HydrophobicContact CB-CG2 4.21Å; L648-T693 HydrophobicContact CD1-CG2 4.25Å; L648-T693 HydrophobicContact CD2-CG2 4.08Å; L689-T693 PolarHBondContact O-N 2.85Å; L689-T693 PolarHBondContact O-OG1 2.91Å; G690-T693 WeakPolarHBondContact CA-OG1 3.39Å; G690-T693 PolarHBondContact O-N 2.85Å; G690-T693 PolarHBondContact O-OG1 3.49Å; T693-H695 PolarHBondContact O-N 3.29Å; T693-A697 PolarHBondContact O-N 3.37Å
694S91.6Very high94.2Very high84 Ų8452.9 Ų52.959%0.58727%0.268SS*.THydrogen-bonded Turntrans-65.6-20.8172.281.40000112.9G690 L691 W692G690-S694 PolarHBondContact O-N 3.3Å; G690-S694 VanDerWaalsContact O-N 3.11Å; L691-S694 WeakPolarHBondContact O-CB 3.35Å; L691-S694 PolarHBondContact O-N 3.02Å; L691-S694 PolarHBondContact O-OG 2.89Å; W692-S694 PolarHBondContact O-N 3.21Å
695H86.6Confident94.2Very high170 Ų17055.2 Ų55.279%0.78728%0.279SS*.THydrogen-bonded Turntrans-103.3-39177.1-60.2-58.3000113.4L691 W692 T693L691-H695 PolarHBondContact O-CD2 2.85Å; W692-H695 PolarHBondContact O-N 2.9Å; T693-H695 PolarHBondContact O-N 3.29Å
696D81.8Confident94.1Very high56 Ų5655.2 Ų55.230%0.29928%0.279SS..  trans-139.299.4174.4-175.1-16.9000110.8W692 T698 S701W692-D696 HydrophobicContact CH2-CB 4.24Å; W692-D696 WeakPolarHBondContact CH2-O 3.21Å; W692-D696 HydrophobicContact CZ2-CB 3.96Å; W692-D696 WeakPolarHBondContact CZ3-O 3.41Å; W692-D696 PolarHBondContact O-N 2.85Å; D696-T698 VanDerWaalsContact C-N 3.3Å; D696-T698 PolarHBondContact O-N 3.5Å; D696-T698 PolarHBondContact OD1-N 2.68Å; D696-T698 VanDerWaalsContact OD1-N 3.1Å; D696-T698 PolarHBondContact OD1-OG1 3.48Å; D696-S701 VanDerWaalsContact CG-CB 3.4Å; D696-S701 WeakPolarHBondContact OD1-CB 3.27Å; D696-S701 WeakPolarHBondContact OD2-CB 3.4Å; D696-S701 PolarHBondContact OD2-OG 2.75Å
697A82.6Confident94.1Very high28 Ų2855.4 Ų55.423%0.23129%0.286CS..  trans-82.86.2-174.600000114.4A642 V643 T693A642-A697 CarbonylContact C-O 3.57Å; A642-A697 WeakPolarHBondContact CA-O 3.47Å; V643-A697 WeakPolarHBondContact CG2-O 3.23Å; V643-A697 PolarHBondContact N-O 3.47Å; T693-A697 PolarHBondContact O-N 3.37Å
698T93.1Very high94Very high49 Ų4956.3 Ų56.330%0.30129%0.288SS..BIsolated β-bridgetrans-86.2132-168.667.60000113.9D696 R700 S701 L702D696-T698 VanDerWaalsContact C-N 3.3Å; D696-T698 PolarHBondContact O-N 3.5Å; D696-T698 PolarHBondContact OD1-N 2.68Å; D696-T698 VanDerWaalsContact OD1-N 3.1Å; D696-T698 PolarHBondContact OD1-OG1 3.48Å; T698-R700 PolarHBondContact O-N 3.4Å; T698-S701 PolarHBondContact O-N 2.79Å; T698-S701 WeakPolarHBondContact OG1-CB 3.24Å; T698-S701 PolarHBondContact OG1-N 2.89Å; T698-L702 PolarHBondContact O-N 2.87Å
699V93.5Very high94Very high27 Ų2756.4 Ų56.416%0.16429%0.29CS..Hα-helixtrans-52.9-31.4174.3169.90000112.5R641 V643 R703 L720R641-V699 PolarHBondContact O-N 3.18Å; R641-V699 VanDerWaalsContact O-N 3.09Å; V643-V699 HydrophobicContact CG2-CB 4.38Å; V643-V699 HydrophobicContact CG2-CG2 3.77Å; V699-R703 WeakPolarHBondContact O-CB 3.36Å; V699-R703 PolarHBondContact O-N 2.85Å; V699-R703 VanDerWaalsContact O-N 3.11Å; V699-L720 HydrophobicContact CG1-CB 4.27Å; V699-L720 HydrophobicContact CG1-CD2 4.29Å
700R93.5Very high94Very high199 Ų19964.9 Ų64.975%0.75133%0.329SS*.Hα-helixtrans-71.2-42.9176.7-175.6175.7-175.4148.84112.5T698 N704T698-R700 PolarHBondContact O-N 3.4Å; R700-N704 PolarHBondContact O-N 3.45Å
701S94.5Very high94Very high14 Ų1464.7 Ų64.710%0.09832%0.321CS..Hα-helixtrans-70.1-40.4178.4-164.50000110.8D696 T698 R703 N704 M705D696-S701 VanDerWaalsContact CG-CB 3.4Å; D696-S701 WeakPolarHBondContact OD1-CB 3.27Å; D696-S701 WeakPolarHBondContact OD2-CB 3.4Å; D696-S701 PolarHBondContact OD2-OG 2.75Å; T698-S701 PolarHBondContact O-N 2.79Å; T698-S701 WeakPolarHBondContact OG1-CB 3.24Å; T698-S701 PolarHBondContact OG1-N 2.89Å; S701-R703 VanDerWaalsContact C-N 3.33Å; S701-R703 PolarHBondContact O-N 3.3Å; S701-N704 WeakPolarHBondContact O-CB 3.39Å; S701-N704 PolarHBondContact O-N 3.14Å; S701-M705 PolarHBondContact O-N 2.81Å
702L96.4Very high94.1Very high0 Ų063.7 Ų63.70%031%0.313CS..Hα-helixtrans-59.5-44.3175.8-178.351.8000111.6V643 L648 L651 F662 L689 W692 T698 N704 M705 L706 L720V643-L702 HydrophobicContact CB-CD2 4.27Å; V643-L702 HydrophobicContact CG1-CD2 3.71Å; V643-L702 HydrophobicContact CG2-CB 4.12Å; V643-L702 HydrophobicContact CG2-CD2 3.61Å; L648-L702 HydrophobicContact CD2-CD2 4.47Å; L651-L702 HydrophobicContact CD1-CD2 3.83Å; F662-L702 HydrophobicContact CE2-CD1 4.06Å; F662-L702 HydrophobicContact CZ-CD1 3.76Å; L689-L702 HydrophobicContact CD2-CD1 3.63Å; W692-L702 HydrophobicContact CE3-CD1 4.05Å; W692-L702 VanDerWaalsContact CH2-CA 3.46Å; W692-L702 HydrophobicContact CH2-CB 3.77Å; W692-L702 HydrophobicContact CH2-CD1 4.43Å; W692-L702 VanDerWaalsContact CH2-N 3.25Å; W692-L702 HydrophobicContact CZ3-CB 3.62Å; W692-L702 HydrophobicContact CZ3-CD1 3.78Å; W692-L702 HydrophobicContact CZ3-CG 4.15Å; T698-L702 PolarHBondContact O-N 2.87Å; L702-N704 VanDerWaalsContact C-N 3.32Å; L702-N704 PolarHBondContact O-N 2.98Å; L702-M705 PolarHBondContact O-N 3.06Å; L702-L706 HydrophobicContact CD1-CD1 3.83Å; L702-L706 HydrophobicContact CD1-CG 3.96Å; L702-L706 HydrophobicContact CG-CD1 3.8Å; L702-L706 HydrophobicContact CG-CG 4.39Å; L702-L706 WeakPolarHBondContact O-CB 3.49Å; L702-L706 WeakPolarHBondContact O-CG 3.25Å; L702-L706 PolarHBondContact O-N 3.02Å; L702-L720 HydrophobicContact CD2-CD2 3.9Å; L702-L720 HydrophobicContact CG-CD2 4.41Å
703R96.2Very high94.2Very high64 Ų6466.4 Ų66.424%0.24233%0.329CS..Hα-helixtrans-55-45.3172.5173.8172.3-51.4-169.33.4112.4V699 S701 L707 Y712 N721V699-R703 WeakPolarHBondContact O-CB 3.36Å; V699-R703 PolarHBondContact O-N 2.85Å; V699-R703 VanDerWaalsContact O-N 3.11Å; S701-R703 VanDerWaalsContact C-N 3.33Å; S701-R703 PolarHBondContact O-N 3.3Å; R703-L707 HydrophobicContact CG-CD1 4.04Å; R703-L707 WeakPolarHBondContact O-CB 3.13Å; R703-L707 WeakPolarHBondContact O-CD1 3.24Å; R703-L707 WeakPolarHBondContact O-CG 3.15Å; R703-L707 PolarHBondContact O-N 2.88Å; R703-Y712 HydrophobicContact CB-CE2 4.09Å; R703-Y712 HydrophobicContact CG-CD2 4.12Å; R703-Y712 HydrophobicContact CG-CE2 3.54Å; R703-Y712 PolarHBondContact NE-OH 3.37Å; R703-N721 PolarHBondContact NH2-OD1 3.16Å
704N96Very high94.3Very high85 Ų8573 Ų7346%0.45536%0.358SS..Hα-helixtrans-66.1-40.1178.9-67.8-15.9000112.2R700 S701 L702 L707 K708R700-N704 PolarHBondContact O-N 3.45Å; S701-N704 WeakPolarHBondContact O-CB 3.39Å; S701-N704 PolarHBondContact O-N 3.14Å; L702-N704 VanDerWaalsContact C-N 3.32Å; L702-N704 PolarHBondContact O-N 2.98Å; N704-L707 PolarHBondContact O-N 3.34Å; N704-K708 WeakPolarHBondContact O-CB 3.37Å; N704-K708 PolarHBondContact O-N 2.85Å
705M97Very high94.6Very high50 Ų5075.6 Ų75.625%0.24636%0.355CS..Hα-helixtrans-70.9-38.5178.4-63.6-53159.400112.3F662 V666 W692 S701 L702 L707 K708 A709F662-M705 HydrophobicContact CE2-CB 3.58Å; F662-M705 HydrophobicContact CZ-CB 3.91Å; V666-M705 HydrophobicContact CG1-CB 4.11Å; V666-M705 HydrophobicContact CG1-CG 4.07Å; V666-M705 HydrophobicContact CG1-SD 4.39Å; W692-M705 HydrophobicContact CZ2-CG 3.88Å; S701-M705 PolarHBondContact O-N 2.81Å; L702-M705 PolarHBondContact O-N 3.06Å; M705-L707 VanDerWaalsContact C-N 3.35Å; M705-K708 PolarHBondContact O-N 3.08Å; M705-K708 HydrophobicContact SD-CD 4.29Å; M705-A709 VanDerWaalsContact O-CB 3.31Å; M705-A709 WeakPolarHBondContact O-CB 3.36Å; M705-A709 PolarHBondContact O-N 3.32Å
706L97.6Very high95.2Very high0 Ų067.5 Ų67.50%032%0.318CS..Hα-helixtrans-65-37.8172.9-70.3166.6000111.7V655 F662 M685 L702 A709 E710 L711 Y712 V716 L720V655-L706 HydrophobicContact CG2-CD2 4.22Å; F662-L706 HydrophobicContact CD2-CD2 3.76Å; F662-L706 HydrophobicContact CD2-CG 4.32Å; F662-L706 HydrophobicContact CE2-CD2 3.74Å; F662-L706 HydrophobicContact CE2-CG 3.87Å; M685-L706 HydrophobicContact CE-CD2 4.17Å; L702-L706 HydrophobicContact CD1-CD1 3.83Å; L702-L706 HydrophobicContact CD1-CG 3.96Å; L702-L706 HydrophobicContact CG-CD1 3.8Å; L702-L706 HydrophobicContact CG-CG 4.39Å; L702-L706 WeakPolarHBondContact O-CB 3.49Å; L702-L706 WeakPolarHBondContact O-CG 3.25Å; L702-L706 PolarHBondContact O-N 3.02Å; L706-A709 PolarHBondContact O-N 3.47Å; L706-E710 PolarHBondContact O-N 3.5Å; L706-L711 HydrophobicContact CD2-CB 3.97Å; L706-L711 HydrophobicContact CD2-CD1 4.39Å; L706-L711 PolarHBondContact O-N 3.17Å; L706-Y712 HydrophobicContact CB-CD2 4.06Å; L706-Y712 PolarHBondContact O-N 2.95Å; L706-V716 HydrophobicContact CD1-CG1 3.76Å; L706-L720 HydrophobicContact CD1-CD1 4.06Å
707L97.5Very high95.9Very high92 Ų9266.4 Ų66.448%0.48231%0.314SS..Hα-helixtrans-63.9-46.1171.8-79.8163.4000111.7R703 N704 M705 A709 E710 Y712R703-L707 HydrophobicContact CG-CD1 4.04Å; R703-L707 WeakPolarHBondContact O-CB 3.13Å; R703-L707 WeakPolarHBondContact O-CD1 3.24Å; R703-L707 WeakPolarHBondContact O-CG 3.15Å; R703-L707 PolarHBondContact O-N 2.88Å; N704-L707 PolarHBondContact O-N 3.34Å; M705-L707 VanDerWaalsContact C-N 3.35Å; L707-A709 VanDerWaalsContact C-N 3.26Å; L707-A709 PolarHBondContact O-N 2.87Å; L707-E710 PolarHBondContact O-N 2.88Å; L707-Y712 HydrophobicContact CD2-CD1 3.82Å; L707-Y712 HydrophobicContact CD2-CG 3.88Å; L707-Y712 HydrophobicContact CG-CD1 4.13Å; L707-Y712 HydrophobicContact CG-CD2 4.32Å; L707-Y712 HydrophobicContact CG-CG 3.79Å
708K97Very high96.6Very high115 Ų11570.8 Ų70.850%0.533%0.33SS..Hα-helixtrans-61.3-33.9177.4-173.1-171.9172.7-165.80112.3C665 N704 M705 E710C665-K708 HydrophobicContact CB-CD 4.22Å; C665-K708 HydrophobicContact CB-CG 4.4Å; C665-K708 PolarHBondContact O-NZ 3.34Å; N704-K708 WeakPolarHBondContact O-CB 3.37Å; N704-K708 PolarHBondContact O-N 2.85Å; M705-K708 PolarHBondContact O-N 3.08Å; M705-K708 HydrophobicContact SD-CD 4.29Å; K708-E710 VanDerWaalsContact C-N 3.33Å
709A97.5Very high96.8Very high3 Ų368.6 Ų68.63%0.02532%0.316CS..THydrogen-bonded Turntrans-85.72.1178.800000114.7N661 F662 C665 M705 L706 L707 L711N661-A709 HydrophobicContact CB-CB 4.5Å; F662-A709 HydrophobicContact CB-CB 4.26Å; F662-A709 HydrophobicContact CD2-CB 4.07Å; C665-A709 HydrophobicContact CB-CB 4.09Å; C665-A709 VanDerWaalsContact SG-CA 3.58Å; M705-A709 VanDerWaalsContact O-CB 3.31Å; M705-A709 WeakPolarHBondContact O-CB 3.36Å; M705-A709 PolarHBondContact O-N 3.32Å; L706-A709 PolarHBondContact O-N 3.47Å; L707-A709 VanDerWaalsContact C-N 3.26Å; L707-A709 PolarHBondContact O-N 2.87Å; A709-L711 HydrophobicContact CB-CD1 4.13Å; A709-L711 HydrophobicContact CB-CG 3.93Å; A709-L711 WeakPolarHBondContact O-CG 3.38Å; A709-L711 PolarHBondContact O-N 3.5Å
710E97.9Very high96.9Very high177 Ų17767.5 Ų67.583%0.82731%0.31SS*.THydrogen-bonded Turntrans60.327.4-174.4-54-173.8161.100114.2L706 L707 K708L706-E710 PolarHBondContact O-N 3.5Å; L707-E710 PolarHBondContact O-N 2.88Å; K708-E710 VanDerWaalsContact C-N 3.33Å
711L98Very high96.9Very high26 Ų2660.2 Ų60.214%0.13629%0.285CS..  trans-107.36.3-178.4-53.6-175.7000113.9V655 F662 M685 L706 A709V655-L711 HydrophobicContact CB-CB 4.24Å; V655-L711 HydrophobicContact CB-CD1 4.26Å; V655-L711 HydrophobicContact CG1-CB 4.02Å; V655-L711 WeakPolarHBondContact CG1-O 3.32Å; F662-L711 HydrophobicContact CB-CD1 3.85Å; F662-L711 HydrophobicContact CD2-CD1 4.45Å; M685-L711 HydrophobicContact CE-CD1 4.19Å; L706-L711 HydrophobicContact CD2-CB 3.97Å; L706-L711 HydrophobicContact CD2-CD1 4.39Å; L706-L711 PolarHBondContact O-N 3.17Å; A709-L711 HydrophobicContact CB-CD1 4.13Å; A709-L711 HydrophobicContact CB-CG 3.93Å; A709-L711 WeakPolarHBondContact O-CG 3.38Å; A709-L711 PolarHBondContact O-N 3.5Å
712Y97.8Very high96.9Very high53 Ų5365 Ų6521%0.20830%0.301CS..  trans-96.1107-177.5-166.6-85.8000111.6R703 L706 L707 V716 S717 L720R703-Y712 HydrophobicContact CB-CE2 4.09Å; R703-Y712 HydrophobicContact CG-CD2 4.12Å; R703-Y712 HydrophobicContact CG-CE2 3.54Å; R703-Y712 PolarHBondContact NE-OH 3.37Å; L706-Y712 HydrophobicContact CB-CD2 4.06Å; L706-Y712 PolarHBondContact O-N 2.95Å; L707-Y712 HydrophobicContact CD2-CD1 3.82Å; L707-Y712 HydrophobicContact CD2-CG 3.88Å; L707-Y712 HydrophobicContact CG-CD1 4.13Å; L707-Y712 HydrophobicContact CG-CD2 4.32Å; L707-Y712 HydrophobicContact CG-CG 3.79Å; Y712-V716 HydrophobicContact CD2-CG1 3.61Å; Y712-V716 HydrophobicContact CE2-CG1 3.89Å; Y712-V716 HydrophobicContact CG-CG1 4.31Å; Y712-S717 WeakPolarHBondContact OH-CA 3.36Å; Y712-S717 WeakPolarHBondContact OH-CB 3.41Å; Y712-S717 PolarHBondContact OH-OG 2.87Å; Y712-L720 HydrophobicContact CD2-CD1 4.45Å; Y712-L720 HydrophobicContact CE2-CD1 3.79Å
713D97.5Very high96.1Very high81 Ų8168.9 Ų68.943%0.43332%0.317SS..  trans-118.3-173.6175.174.22.2000112.4R715 V716 S717D713-R715 VanDerWaalsContact C-N 3.34Å; D713-R715 WeakPolarHBondContact OD1-CB 3.16Å; D713-R715 PolarHBondContact OD1-N 3.26Å; D713-V716 WeakPolarHBondContact OD1-CB 3.49Å; D713-V716 WeakPolarHBondContact OD1-CG2 3.46Å; D713-V716 PolarHBondContact OD1-N 3.1Å; D713-S717 WeakPolarHBondContact O-CB 3.35Å; D713-S717 PolarHBondContact O-N 3.48Å
714E97.4Very high95.1Very high159 Ų15973.4 Ų73.474%0.74333%0.333SS*.Hα-helixtrans-62.7-39.2178.1-171.9165-150.800112.1S717 E718E714-S717 CarbonylContact O-C 3.46Å; E714-S717 WeakPolarHBondContact O-CA 3.42Å; E714-S717 VanDerWaalsContact O-CB 3.25Å; E714-S717 WeakPolarHBondContact O-CB 3.25Å; E714-S717 PolarHBondContact O-N 2.86Å; E714-E718 WeakPolarHBondContact O-CG 3.24Å; E714-E718 PolarHBondContact O-N 3.01Å
715R97.7Very high93.3Very high140 Ų14079.8 Ų79.853%0.52837%0.368SS..Hα-helixtrans-69.3-40.6-179.4-171.3176.1-179.9-170.8-1.9112.1V654 D713 S717 E718 I719V654-R715 HydrophobicContact CG1-CB 4.43Å; V654-R715 HydrophobicContact CG1-CG 4.23Å; V654-R715 HydrophobicContact CG2-CG 4.21Å; D713-R715 VanDerWaalsContact C-N 3.34Å; D713-R715 WeakPolarHBondContact OD1-CB 3.16Å; D713-R715 PolarHBondContact OD1-N 3.26Å; R715-S717 VanDerWaalsContact C-N 3.3Å; R715-E718 PolarHBondContact O-N 3.42Å; R715-I719 HydrophobicContact CG-CD1 4.46Å; R715-I719 VanDerWaalsContact O-CG1 3.31Å; R715-I719 WeakPolarHBondContact O-CG1 3.37Å; R715-I719 PolarHBondContact O-N 2.87Å; R715-I719 VanDerWaalsContact O-N 3.08Å
716V97.9Very high93.1Very high0 Ų081.3 Ų81.30%037%0.374CS..Hα-helixtrans-62.1-39.9170.7167.10000110.9L651 V654 V655 L706 Y712 D713 I719 L720L651-V716 HydrophobicContact CD2-CB 4.32Å; L651-V716 HydrophobicContact CD2-CG1 3.94Å; L651-V716 HydrophobicContact CD2-CG2 4.09Å; V654-V716 HydrophobicContact CG1-CG2 3.99Å; V655-V716 HydrophobicContact CG1-CG2 3.44Å; V655-V716 VanDerWaalsContact CG1-CG2 3.44Å; L706-V716 HydrophobicContact CD1-CG1 3.76Å; Y712-V716 HydrophobicContact CD2-CG1 3.61Å; Y712-V716 HydrophobicContact CE2-CG1 3.89Å; Y712-V716 HydrophobicContact CG-CG1 4.31Å; D713-V716 WeakPolarHBondContact OD1-CB 3.49Å; D713-V716 WeakPolarHBondContact OD1-CG2 3.46Å; D713-V716 PolarHBondContact OD1-N 3.1Å; V716-I719 PolarHBondContact O-N 3.11Å; V716-L720 HydrophobicContact CG1-CD1 3.82Å; V716-L720 WeakPolarHBondContact O-CB 3.42Å; V716-L720 WeakPolarHBondContact O-CG 3.18Å; V716-L720 PolarHBondContact O-N 2.88Å
717S97.1Very high92.8Very high33 Ų3385.6 Ų85.623%0.23139%0.394CS..Hα-helixtrans-61.8-43.9173.7-165.20000111.7Y712 D713 E714 R715 L720 N721Y712-S717 WeakPolarHBondContact OH-CA 3.36Å; Y712-S717 WeakPolarHBondContact OH-CB 3.41Å; Y712-S717 PolarHBondContact OH-OG 2.87Å; D713-S717 WeakPolarHBondContact O-CB 3.35Å; D713-S717 PolarHBondContact O-N 3.48Å; E714-S717 CarbonylContact O-C 3.46Å; E714-S717 WeakPolarHBondContact O-CA 3.42Å; E714-S717 VanDerWaalsContact O-CB 3.25Å; E714-S717 WeakPolarHBondContact O-CB 3.25Å; E714-S717 PolarHBondContact O-N 2.86Å; R715-S717 VanDerWaalsContact C-N 3.3Å; S717-L720 PolarHBondContact O-N 3.17Å; S717-N721 WeakPolarHBondContact O-CB 3.3Å; S717-N721 VanDerWaalsContact O-CG 3.29Å; S717-N721 PolarHBondContact O-N 3.33Å; S717-N721 PolarHBondContact O-ND2 3.36Å; S717-N721 PolarHBondContact OG-ND2 2.97Å; S717-N721 VanDerWaalsContact OG-ND2 3.12Å
718E97.3Very high92.6Very high120 Ų12085.2 Ų85.256%0.56139%0.389SS*.Hα-helixtrans-59.3-49175.7-72.1178.6164.300112.2E714 R715 L720 N721 R722E714-E718 WeakPolarHBondContact O-CG 3.24Å; E714-E718 PolarHBondContact O-N 3.01Å; R715-E718 PolarHBondContact O-N 3.42Å; E718-L720 VanDerWaalsContact C-N 3.35Å; E718-L720 PolarHBondContact O-N 3.48Å; E718-N721 PolarHBondContact O-N 3.2Å; E718-R722 PolarHBondContact O-N 2.92Å
719I97.4Very high92.3Very high2 Ų283.5 Ų83.51%0.0138%0.382CS..Hα-helixtrans-60.1-44.4179.9-63162.6000111.3Q647 E650 L651 V654 R715 V716Q647-I719 HydrophobicContact CB-CG2 4.3Å; Q647-I719 PolarHBondContact NE2-O 3.05Å; E650-I719 HydrophobicContact CB-CD1 4.38Å; E650-I719 HydrophobicContact CB-CG2 4.18Å; E650-I719 HydrophobicContact CG-CD1 3.77Å; E650-I719 HydrophobicContact CG-CG1 4.04Å; E650-I719 HydrophobicContact CG-CG2 4.45Å; L651-I719 HydrophobicContact CD2-CB 4.25Å; L651-I719 HydrophobicContact CD2-CD1 4.22Å; L651-I719 HydrophobicContact CD2-CG2 4.11Å; L651-I719 HydrophobicContact CG-CG2 3.93Å; V654-I719 HydrophobicContact CB-CD1 4.4Å; V654-I719 HydrophobicContact CG2-CD1 3.71Å; R715-I719 HydrophobicContact CG-CD1 4.46Å; R715-I719 VanDerWaalsContact O-CG1 3.31Å; R715-I719 WeakPolarHBondContact O-CG1 3.37Å; R715-I719 PolarHBondContact O-N 2.87Å; R715-I719 VanDerWaalsContact O-N 3.08Å; V716-I719 PolarHBondContact O-N 3.11Å
720L95.9Very high92Very high5 Ų588.5 Ų88.53%0.02641%0.405CS..Hα-helixtrans-73.2-26.2-179-71.2170.9000113.6L651 V699 L702 L706 Y712 V716 S717 E718L651-L720 HydrophobicContact CD1-CD2 3.86Å; L651-L720 HydrophobicContact CD1-CG 4.4Å; L651-L720 HydrophobicContact CD2-CG 4.47Å; V699-L720 HydrophobicContact CG1-CB 4.27Å; V699-L720 HydrophobicContact CG1-CD2 4.29Å; L702-L720 HydrophobicContact CD2-CD2 3.9Å; L702-L720 HydrophobicContact CG-CD2 4.41Å; L706-L720 HydrophobicContact CD1-CD1 4.06Å; Y712-L720 HydrophobicContact CD2-CD1 4.45Å; Y712-L720 HydrophobicContact CE2-CD1 3.79Å; V716-L720 HydrophobicContact CG1-CD1 3.82Å; V716-L720 WeakPolarHBondContact O-CB 3.42Å; V716-L720 WeakPolarHBondContact O-CG 3.18Å; V716-L720 PolarHBondContact O-N 2.88Å; S717-L720 PolarHBondContact O-N 3.17Å; E718-L720 VanDerWaalsContact C-N 3.35Å; E718-L720 PolarHBondContact O-N 3.48Å
721N94.7Very high91.6Very high45 Ų4582.6 Ų82.624%0.24138%0.376CS..Hα-helixtrans-93.6-13.3179.8-67.1-56.8000113.8R703 S717 E718 Y723 R724R703-N721 PolarHBondContact NH2-OD1 3.16Å; S717-N721 WeakPolarHBondContact O-CB 3.3Å; S717-N721 VanDerWaalsContact O-CG 3.29Å; S717-N721 PolarHBondContact O-N 3.33Å; S717-N721 PolarHBondContact O-ND2 3.36Å; S717-N721 PolarHBondContact OG-ND2 2.97Å; S717-N721 VanDerWaalsContact OG-ND2 3.12Å; E718-N721 PolarHBondContact O-N 3.2Å; N721-Y723 PolarHBondContact O-N 3.36Å; N721-R724 WeakPolarHBondContact O-CB 3.41Å; N721-R724 PolarHBondContact O-N 3.31Å
722R92.9Very high91.1Very high115 Ų11586.6 Ų86.643%0.43439%0.394SS..THydrogen-bonded Turntrans-54.3-24.9-174.5-166-178.6-64.1155.64.8115.2E650 E718E650-R722 VanDerWaalsContact CD-NH2 3.35Å; E650-R722 IonicContact OE1-CZ 2.91Å; E650-R722 IonicContact OE1-NH1 3.15Å; E650-R722 IonicContact OE1-NH2 3.28Å; E650-R722 PolarHBondContact OE1-NH2 3.1Å; E650-R722 IonicContact OE2-CZ 3.61Å; E650-R722 VanDerWaalsContact OE2-CZ 3.28Å; E650-R722 IonicContact OE2-NH1 3.65Å; E650-R722 PolarHBondContact OE2-NH1 2.95Å; E650-R722 IonicContact OE2-NH2 3.99Å; E650-R722 PolarHBondContact OE2-NH2 2.95Å; E650-R722 VanDerWaalsContact OE2-NH2 3.15Å; E718-R722 PolarHBondContact O-N 2.92Å
723Y79.6Confident90.6Very high82 Ų8289.2 Ų89.232%0.32241%0.408SS..THydrogen-bonded Turntrans-119.727.3-177.6-53.6-68000113.2R644 D646 Q647 N721R644-Y723 VanDerWaalsContact NH1-CD1 3.29Å; R644-Y723 VanDerWaalsContact NH1-CG 3.27Å; D646-Y723 WeakPolarHBondContact OD2-CE2 3.46Å; D646-Y723 PolarHBondContact OD2-OH 3.03Å; Q647-Y723 HydrophobicContact CG-CD2 4Å; Q647-Y723 HydrophobicContact CG-CE2 4.06Å; N721-Y723 PolarHBondContact O-N 3.36Å
724R75.9Confident90.1Very high158 Ų15889.9 Ų89.960%0.59641%0.406SS*.  trans-85.8-14.3177.4-165176.7179.9-162.6-2113.5N721N721-R724 WeakPolarHBondContact O-CB 3.41Å; N721-R724 PolarHBondContact O-N 3.31Å
725D57.1Low89.4Confident220 Ų22083.6 Ų83.6100%1.17638%0.375SS*.  trans-92.70178.8-67.8-32.5000112.5

Retrieved 725 of 725 residues in 210.4 ms (Link to these results)

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