A0A087YFL7_POEFO Loading...

Coiled-coil domain containing 157

AlphaFold DB , UniProt , Accession A0A087YFL7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 599 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
1M47.7Very low79.1Confident224 Ų22490.9 Ų90.9100%1.10348%0.48SS*.  0-15.90-71.7-148.7-68.700113.5
2S52.4Low80.4Confident96 Ų9692.4 Ų92.467%0.67148%0.48SS*.G310 helixtrans-77.7-12.2178.947.30000115.4L4S2-L4 VanDerWaalsContact C-N 3.35Å; S2-L4 PolarHBondContact O-N 3.2Å
3E57.1Low81.7Confident185 Ų18590 Ų9086%0.86448%0.475SS*.G310 helixtrans-80.6-7.9-175.1-67.3177.517300114.7
4L70.2Confident82.7Confident112 Ų11284.9 Ų84.959%0.58645%0.448SS*.G310 helixtrans-103.7-10179.9-75.9155.5000113.5S2 N7S2-L4 VanDerWaalsContact C-N 3.35Å; S2-L4 PolarHBondContact O-N 3.2Å; L4-N7 PolarHBondContact O-N 3.4Å
5L85.3Confident83.7Confident75 Ų7582.3 Ų82.339%0.39343%0.43SS..THydrogen-bonded Turntrans-78.8125.7-175-139.6130.1000109.3N7 Q70 V74L5-N7 VanDerWaalsContact C-N 3.35Å; L5-Q70 HydrophobicContact CB-CG 4.28Å; L5-Q70 HydrophobicContact CD2-CB 3.71Å; L5-Q70 HydrophobicContact CD2-CG 3.79Å; L5-Q70 WeakPolarHBondContact O-CG 3.32Å; L5-V74 HydrophobicContact CD2-CG2 4.09Å
6G86.8Confident84.5Confident8 Ų885.7 Ų85.78%0.08244%0.44CS..THydrogen-bonded Turntrans78.38.4-173.400000116K8 N69 H73G6-K8 PolarHBondContact O-N 3.4Å; G6-N69 WeakPolarHBondContact CA-O 3.23Å; G6-H73 PolarHBondContact N-ND1 3.12Å; G6-H73 VanDerWaalsContact N-ND1 3.13Å
7N92.9Very high85.2Confident66 Ų6684.5 Ų84.535%0.35344%0.435SS..  trans-63.9135.7173.9-172.7-47.7000111.2L4 L5 D9 C10 I11L4-N7 PolarHBondContact O-N 3.4Å; L5-N7 VanDerWaalsContact C-N 3.35Å; N7-D9 VanDerWaalsContact C-N 3.29Å; N7-D9 PolarHBondContact O-N 3Å; N7-D9 PolarHBondContact OD1-N 3.48Å; N7-C10 HydrophobicContact CB-CB 4.44Å; N7-C10 WeakPolarHBondContact O-CB 3.38Å; N7-C10 PolarHBondContact O-N 3.47Å; N7-C10 VanDerWaalsContact O-N 3.13Å; N7-I11 PolarHBondContact O-N 3.4Å
8K94.1Very high85.9Confident81 Ų8179.8 Ų79.835%0.35241%0.411SS..Hα-helixtrans-50-43.6178.5-174.4174.5-172.8170.10113.7G6 I11 K12 F61G6-K8 PolarHBondContact O-N 3.4Å; K8-I11 PolarHBondContact O-N 2.69Å; K8-K12 HydrophobicContact CG-CD 4.31Å; K8-K12 WeakPolarHBondContact O-CB 3.45Å; K8-K12 VanDerWaalsContact O-CG 3.31Å; K8-K12 WeakPolarHBondContact O-CG 3.25Å; K8-K12 PolarHBondContact O-N 2.93Å; K8-F61 HydrophobicContact CB-CD1 4.08Å; K8-F61 HydrophobicContact CB-CD2 3.77Å; K8-F61 HydrophobicContact CB-CE1 3.99Å; K8-F61 HydrophobicContact CB-CE2 3.7Å; K8-F61 HydrophobicContact CB-CG 3.96Å; K8-F61 HydrophobicContact CB-CZ 3.82Å; K8-F61 HydrophobicContact CD-CD1 3.84Å; K8-F61 HydrophobicContact CD-CE1 3.76Å; K8-F61 HydrophobicContact CD-CG 4.45Å; K8-F61 HydrophobicContact CD-CZ 4.34Å; K8-F61 HydrophobicContact CG-CB 4.42Å; K8-F61 HydrophobicContact CG-CD1 3.71Å; K8-F61 HydrophobicContact CG-CD2 4.18Å; K8-F61 HydrophobicContact CG-CE1 3.96Å; K8-F61 HydrophobicContact CG-CE2 4.41Å; K8-F61 HydrophobicContact CG-CG 3.82Å; K8-F61 HydrophobicContact CG-CZ 4.31Å
9D94Very high86.5Confident113 Ų11379.6 Ų79.660%0.60441%0.414SS*.Hα-helixtrans-71.5-36.2-176.7-65.9-30.8000111.3N7 K12 S13N7-D9 VanDerWaalsContact C-N 3.29Å; N7-D9 PolarHBondContact O-N 3Å; N7-D9 PolarHBondContact OD1-N 3.48Å; D9-K12 PolarHBondContact O-N 3.36Å; D9-S13 WeakPolarHBondContact O-CB 3.46Å; D9-S13 PolarHBondContact O-N 2.97Å
10C93.9Very high87Confident40 Ų4080.4 Ų80.427%0.2742%0.418SS..Hα-helixtrans-66.1-45.5173.8-62.30000111.7N7 K12 S13 L14 H73N7-C10 HydrophobicContact CB-CB 4.44Å; N7-C10 WeakPolarHBondContact O-CB 3.38Å; N7-C10 PolarHBondContact O-N 3.47Å; N7-C10 VanDerWaalsContact O-N 3.13Å; C10-K12 PolarHBondContact O-N 3.41Å; C10-S13 PolarHBondContact O-N 2.91Å; C10-L14 WeakPolarHBondContact O-CG 3.41Å; C10-L14 PolarHBondContact O-N 3.1Å; C10-H73 VanDerWaalsContact CB-CE1 3.46Å; C10-H73 WeakPolarHBondContact CB-CE1 3.4Å
11I95.3Very high87.5Confident0 Ų077.7 Ų77.70%040%0.404CS..Hα-helixtrans-59.8-47.3176.4-72.5174.2000110.1N7 K8 S13 L14 R15 F61 N69 H73 L76N7-I11 PolarHBondContact O-N 3.4Å; K8-I11 PolarHBondContact O-N 2.69Å; I11-S13 VanDerWaalsContact C-N 3.32Å; I11-S13 PolarHBondContact O-N 2.82Å; I11-L14 PolarHBondContact O-N 2.88Å; I11-R15 HydrophobicContact CG2-CG 4.45Å; I11-R15 VanDerWaalsContact O-CG 3.22Å; I11-R15 WeakPolarHBondContact O-CG 3.39Å; I11-R15 PolarHBondContact O-N 2.85Å; I11-F61 HydrophobicContact CD1-CB 4.38Å; I11-F61 HydrophobicContact CD1-CD2 3.92Å; I11-F61 HydrophobicContact CG2-CB 4.13Å; I11-N69 HydrophobicContact CD1-CB 4.02Å; I11-N69 WeakPolarHBondContact CD1-O 3.01Å; I11-H73 HydrophobicContact CD1-CB 4.45Å; I11-H73 HydrophobicContact CG1-CB 4.09Å; I11-L76 HydrophobicContact CB-CD1 4.48Å; I11-L76 HydrophobicContact CG2-CD1 3.76Å
12K95.6Very high89.8Confident109 Ų10969 Ų6947%0.47436%0.361SS..Hα-helixtrans-59.3-41176-76.6179.2174.5-170.50113K8 D9 C10 K16K8-K12 HydrophobicContact CG-CD 4.31Å; K8-K12 WeakPolarHBondContact O-CB 3.45Å; K8-K12 VanDerWaalsContact O-CG 3.31Å; K8-K12 WeakPolarHBondContact O-CG 3.25Å; K8-K12 PolarHBondContact O-N 2.93Å; D9-K12 PolarHBondContact O-N 3.36Å; C10-K12 PolarHBondContact O-N 3.41Å; K12-K16 PolarHBondContact O-N 3.49Å; K12-K16 VanDerWaalsContact O-N 3.15Å
13S96.4Very high91.8Very high61 Ų6166.6 Ų66.643%0.42735%0.351SS..Hα-helixtrans-62.4-50176.1-166.80000111.4D9 C10 I11 R15 K16 D17D9-S13 WeakPolarHBondContact O-CB 3.46Å; D9-S13 PolarHBondContact O-N 2.97Å; C10-S13 PolarHBondContact O-N 2.91Å; I11-S13 VanDerWaalsContact C-N 3.32Å; I11-S13 PolarHBondContact O-N 2.82Å; S13-R15 VanDerWaalsContact C-N 3.31Å; S13-R15 PolarHBondContact O-N 3.32Å; S13-K16 WeakPolarHBondContact O-CB 3.48Å; S13-K16 PolarHBondContact O-N 3.31Å; S13-D17 VanDerWaalsContact O-CG 3.26Å; S13-D17 PolarHBondContact O-N 3.38Å
14L96.6Very high93.6Very high18 Ų1859.7 Ų59.79%0.09433%0.326CS..Hα-helixtrans-60-39.8-179.9-71.8169.9000112.4C10 I11 K16 D17 L18 L76 L77 V80C10-L14 WeakPolarHBondContact O-CG 3.41Å; C10-L14 PolarHBondContact O-N 3.1Å; I11-L14 PolarHBondContact O-N 2.88Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.01Å; L14-D17 PolarHBondContact O-N 3.11Å; L14-L18 WeakPolarHBondContact O-CB 3.34Å; L14-L18 WeakPolarHBondContact O-CG 3.09Å; L14-L18 PolarHBondContact O-N 3.28Å; L14-L76 HydrophobicContact CB-CB 4.03Å; L14-L76 HydrophobicContact CB-CD1 4.46Å; L14-L76 HydrophobicContact CD1-CB 4.11Å; L14-L77 HydrophobicContact CD2-CD1 3.96Å; L14-V80 HydrophobicContact CD2-CG2 4.14Å
15R96.9Very high94.8Very high47 Ų4754.6 Ų54.618%0.17730%0.299CS..Hα-helixtrans-60.8-44.2174.4-65.7167.57781.31.2111.6I11 S13 L18 V19 L56 Y59 D60 L76I11-R15 HydrophobicContact CG2-CG 4.45Å; I11-R15 VanDerWaalsContact O-CG 3.22Å; I11-R15 WeakPolarHBondContact O-CG 3.39Å; I11-R15 PolarHBondContact O-N 2.85Å; S13-R15 VanDerWaalsContact C-N 3.31Å; S13-R15 PolarHBondContact O-N 3.32Å; R15-L18 WeakPolarHBondContact O-CB 3.43Å; R15-L18 PolarHBondContact O-N 3Å; R15-V19 WeakPolarHBondContact O-CG2 3.43Å; R15-V19 PolarHBondContact O-N 3.4Å; R15-V19 VanDerWaalsContact O-N 3.09Å; R15-L56 HydrophobicContact CB-CD2 3.99Å; R15-L56 HydrophobicContact CG-CD2 3.93Å; R15-L56 PolarHBondContact NH1-O 3.47Å; R15-L56 PolarHBondContact NH2-O 2.89Å; R15-Y59 PolarHBondContact NH1-O 2.58Å; R15-D60 IonicContact CZ-OD1 3.59Å; R15-D60 VanDerWaalsContact CZ-OD1 3.32Å; R15-D60 IonicContact NE-OD1 2.91Å; R15-D60 PolarHBondContact NE-OD1 3.48Å; R15-D60 VanDerWaalsContact NH1-CB 3.33Å; R15-D60 IonicContact NH1-OD1 2.98Å; R15-D60 PolarHBondContact NH1-OD1 3.31Å; R15-D60 IonicContact NH2-OD1 2.72Å; R15-D60 IonicContact NH2-OD2 3.82Å; R15-L76 HydrophobicContact CG-CD1 3.99Å; R15-L76 HydrophobicContact CG-CD2 4.32Å
16K96.6Very high95.2Very high136 Ų13655.1 Ų55.159%0.59131%0.305SS*.Hα-helixtrans-63-46.9177.3-175.7-177174.8-175.20110.9K12 S13 L14 L18 V19 D20K12-K16 PolarHBondContact O-N 3.49Å; K12-K16 VanDerWaalsContact O-N 3.15Å; S13-K16 WeakPolarHBondContact O-CB 3.48Å; S13-K16 PolarHBondContact O-N 3.31Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.01Å; K16-L18 VanDerWaalsContact C-N 3.27Å; K16-L18 PolarHBondContact O-N 2.81Å; K16-V19 PolarHBondContact O-N 3.44Å; K16-V19 VanDerWaalsContact O-N 3.12Å; K16-D20 PolarHBondContact O-N 3.47Å
17D97.3Very high95.6Very high66 Ų6658.3 Ų58.335%0.35332%0.32SS..Hα-helixtrans-58.7-41.1178-63.1-27.1000111.1S13 L14 D20 I21S13-D17 VanDerWaalsContact O-CG 3.26Å; S13-D17 PolarHBondContact O-N 3.38Å; L14-D17 PolarHBondContact O-N 3.11Å; D17-D20 PolarHBondContact O-N 3.45Å; D17-I21 WeakPolarHBondContact O-CB 3.45Å; D17-I21 WeakPolarHBondContact O-CD1 3.28Å; D17-I21 WeakPolarHBondContact O-CG1 3.38Å; D17-I21 PolarHBondContact O-N 3Å
18L97.4Very high95.6Very high0 Ų056.1 Ų56.10%031%0.309CS..Hα-helixtrans-61.2-43.2174.9-80.9167.5000113.1L14 R15 K16 Q22 L52 L56 L76 L79 V80 R83L14-L18 WeakPolarHBondContact O-CB 3.34Å; L14-L18 WeakPolarHBondContact O-CG 3.09Å; L14-L18 PolarHBondContact O-N 3.28Å; R15-L18 WeakPolarHBondContact O-CB 3.43Å; R15-L18 PolarHBondContact O-N 3Å; K16-L18 VanDerWaalsContact C-N 3.27Å; K16-L18 PolarHBondContact O-N 2.81Å; L18-Q22 VanDerWaalsContact O-CB 3.27Å; L18-Q22 WeakPolarHBondContact O-CB 3.5Å; L18-Q22 PolarHBondContact O-N 2.89Å; L18-L52 HydrophobicContact CB-CD1 4.49Å; L18-L52 HydrophobicContact CD2-CD1 4.44Å; L18-L56 HydrophobicContact CB-CD2 4.17Å; L18-L56 HydrophobicContact CD1-CD2 3.73Å; L18-L76 HydrophobicContact CD1-CB 4.34Å; L18-L76 HydrophobicContact CD1-CD2 3.6Å; L18-L79 HydrophobicContact CD1-CB 3.99Å; L18-L79 HydrophobicContact CD1-CD1 4.48Å; L18-L79 HydrophobicContact CD2-CB 3.79Å; L18-V80 HydrophobicContact CD1-CG2 4.34Å; L18-V80 HydrophobicContact CD2-CB 4.4Å; L18-V80 HydrophobicContact CD2-CG2 3.81Å; L18-V80 HydrophobicContact CG-CG2 3.66Å; L18-R83 HydrophobicContact CD2-CB 4.44Å; L18-R83 HydrophobicContact CD2-CG 3.85Å
19V96.8Very high95.4Very high76 Ų7654.1 Ų54.146%0.46130%0.303SS..Hα-helixtrans-63.7-44176.1172.60000110.7R15 K16 Q22 G23 L56R15-V19 WeakPolarHBondContact O-CG2 3.43Å; R15-V19 PolarHBondContact O-N 3.4Å; R15-V19 VanDerWaalsContact O-N 3.09Å; K16-V19 PolarHBondContact O-N 3.44Å; K16-V19 VanDerWaalsContact O-N 3.12Å; V19-Q22 PolarHBondContact O-N 3.47Å; V19-G23 PolarHBondContact O-N 2.86Å; V19-L56 HydrophobicContact CG2-CD1 3.63Å
20D96.9Very high95.3Very high94 Ų9452.9 Ų52.950%0.50330%0.304SS..Hα-helixtrans-64.3-44.9179.5-70.6-19.6000111.3K16 D17 Q22 G23 A24K16-D20 PolarHBondContact O-N 3.47Å; D17-D20 PolarHBondContact O-N 3.45Å; D20-Q22 VanDerWaalsContact C-N 3.34Å; D20-Q22 PolarHBondContact O-N 2.97Å; D20-G23 PolarHBondContact O-N 2.89Å; D20-A24 PolarHBondContact O-N 3.36Å; D20-A24 VanDerWaalsContact O-N 3.08Å
21I96.9Very high95.2Very high24 Ų2457.7 Ų57.712%0.12332%0.316CS..Hα-helixtrans-63.2-42.1176.1-65159.8000110.5D17 G23 A24 I25 V80 R83 L84 L87D17-I21 WeakPolarHBondContact O-CB 3.45Å; D17-I21 WeakPolarHBondContact O-CD1 3.28Å; D17-I21 WeakPolarHBondContact O-CG1 3.38Å; D17-I21 PolarHBondContact O-N 3Å; I21-G23 VanDerWaalsContact C-N 3.32Å; I21-G23 PolarHBondContact O-N 3.08Å; I21-A24 WeakPolarHBondContact O-CB 3.49Å; I21-A24 PolarHBondContact O-N 3.22Å; I21-I25 HydrophobicContact CG2-CD1 3.89Å; I21-I25 HydrophobicContact CG2-CG1 4.43Å; I21-I25 WeakPolarHBondContact O-CG1 3.48Å; I21-I25 PolarHBondContact O-N 3.47Å; I21-V80 HydrophobicContact CD1-CG1 3.93Å; I21-R83 HydrophobicContact CB-CB 4.44Å; I21-R83 HydrophobicContact CG2-CB 3.6Å; I21-L84 HydrophobicContact CD1-CD2 3.86Å; I21-L84 HydrophobicContact CD1-CG 3.93Å; I21-L84 HydrophobicContact CG1-CD2 4.06Å; I21-L84 HydrophobicContact CG2-CD2 4.28Å; I21-L87 HydrophobicContact CG2-CD2 4.49Å
22Q95.6Very high94.8Very high43 Ų4359 Ų5920%0.20132%0.324CS..Hα-helixtrans-62.5-39.6176.4-173.765.216.900111.9L18 V19 D20 A24 I25 V26 L52L18-Q22 VanDerWaalsContact O-CB 3.27Å; L18-Q22 WeakPolarHBondContact O-CB 3.5Å; L18-Q22 PolarHBondContact O-N 2.89Å; V19-Q22 PolarHBondContact O-N 3.47Å; D20-Q22 VanDerWaalsContact C-N 3.34Å; D20-Q22 PolarHBondContact O-N 2.97Å; Q22-A24 VanDerWaalsContact C-N 3.32Å; Q22-A24 PolarHBondContact O-N 3.02Å; Q22-I25 WeakPolarHBondContact O-CB 3.33Å; Q22-I25 PolarHBondContact O-N 2.88Å; Q22-V26 VanDerWaalsContact O-CG2 3.32Å; Q22-V26 WeakPolarHBondContact O-CG2 3.42Å; Q22-V26 PolarHBondContact O-N 3.3Å; Q22-L52 HydrophobicContact CB-CD2 3.36Å; Q22-L52 HydrophobicContact CG-CD2 3.57Å
23G95.1Very high94.1Very high44 Ų4455.1 Ų55.145%0.45432%0.316SS..Hα-helixtrans-57.9-44.5172.600000112.2V19 D20 I21 V26 D27V19-G23 PolarHBondContact O-N 2.86Å; D20-G23 PolarHBondContact O-N 2.89Å; I21-G23 VanDerWaalsContact C-N 3.32Å; I21-G23 PolarHBondContact O-N 3.08Å; G23-V26 PolarHBondContact O-N 3.3Å; G23-D27 PolarHBondContact O-N 3.15Å
24A95.7Very high93.4Very high41 Ų4158 Ų5834%0.33933%0.332SS..Hα-helixtrans-64.6-40.6175.800000112.7D20 I21 Q22 D27 V28 L87D20-A24 PolarHBondContact O-N 3.36Å; D20-A24 VanDerWaalsContact O-N 3.08Å; I21-A24 WeakPolarHBondContact O-CB 3.49Å; I21-A24 PolarHBondContact O-N 3.22Å; Q22-A24 VanDerWaalsContact C-N 3.32Å; Q22-A24 PolarHBondContact O-N 3.02Å; A24-D27 PolarHBondContact O-N 3.45Å; A24-V28 WeakPolarHBondContact O-CG2 3.44Å; A24-V28 PolarHBondContact O-N 3.07Å; A24-V28 VanDerWaalsContact O-N 3.1Å; A24-L87 HydrophobicContact CB-CD1 4.23Å; A24-L87 HydrophobicContact CB-CD2 4.27Å
25I95Very high92.8Very high4 Ų457.6 Ų57.62%0.02133%0.331CS..Hα-helixtrans-59.4-48.7174.7-70.8161.1000110.1I21 Q22 D27 V28 V29 R83 F86 L87I21-I25 HydrophobicContact CG2-CD1 3.89Å; I21-I25 HydrophobicContact CG2-CG1 4.43Å; I21-I25 WeakPolarHBondContact O-CG1 3.48Å; I21-I25 PolarHBondContact O-N 3.47Å; Q22-I25 WeakPolarHBondContact O-CB 3.33Å; Q22-I25 PolarHBondContact O-N 2.88Å; I25-D27 VanDerWaalsContact C-N 3.35Å; I25-D27 PolarHBondContact O-N 3.17Å; I25-V28 PolarHBondContact O-N 2.67Å; I25-V29 HydrophobicContact CG2-CG2 3.93Å; I25-V29 WeakPolarHBondContact O-CB 3.46Å; I25-V29 WeakPolarHBondContact O-CG2 3.4Å; I25-V29 PolarHBondContact O-N 3.23Å; I25-R83 HydrophobicContact CD1-CB 3.95Å; I25-R83 WeakPolarHBondContact CD1-O 3.31Å; I25-F86 HydrophobicContact CD1-CD1 4.07Å; I25-F86 HydrophobicContact CG1-CD1 4.31Å; I25-F86 HydrophobicContact CG2-CD1 3.6Å; I25-F86 HydrophobicContact CG2-CE1 3.48Å; I25-F86 VanDerWaalsContact CG2-CE1 3.48Å; I25-L87 HydrophobicContact CD1-CB 4.43Å; I25-L87 HydrophobicContact CG1-CB 3.8Å; I25-L87 HydrophobicContact CG1-CD1 3.96Å; I25-L87 HydrophobicContact CG1-CG 4.41Å
26V94.1Very high92.2Very high86 Ų8658 Ų5852%0.52134%0.341SS..Hα-helixtrans-60.1-43.1-179.9171.50000111.3Q22 G23 V28 V29 S30Q22-V26 VanDerWaalsContact O-CG2 3.32Å; Q22-V26 WeakPolarHBondContact O-CG2 3.42Å; Q22-V26 PolarHBondContact O-N 3.3Å; G23-V26 PolarHBondContact O-N 3.3Å; V26-V28 PolarHBondContact O-N 3.06Å; V26-V29 PolarHBondContact O-N 3.35Å; V26-S30 VanDerWaalsContact O-CB 3.32Å; V26-S30 WeakPolarHBondContact O-CB 3.34Å; V26-S30 PolarHBondContact O-N 3.09Å
27D94.2Very high91.8Very high75 Ų7554.6 Ų54.640%0.40132%0.324SS..Hα-helixtrans-60.3-45.5175.9179.653.4000111.7G23 A24 I25 S30 R31G23-D27 PolarHBondContact O-N 3.15Å; A24-D27 PolarHBondContact O-N 3.45Å; I25-D27 VanDerWaalsContact C-N 3.35Å; I25-D27 PolarHBondContact O-N 3.17Å; D27-S30 PolarHBondContact O-OG 2.88Å; D27-R31 VanDerWaalsContact CG-NH2 3.3Å; D27-R31 IonicContact OD1-CZ 3.79Å; D27-R31 IonicContact OD1-NE 3.64Å; D27-R31 PolarHBondContact OD1-NE 2.99Å; D27-R31 IonicContact OD1-NH2 2.84Å; D27-R31 PolarHBondContact OD1-NH2 3.44Å; D27-R31 IonicContact OD2-CZ 3.94Å; D27-R31 IonicContact OD2-NE 3.77Å; D27-R31 IonicContact OD2-NH2 3.77Å; D27-R31 PolarHBondContact OD2-NH2 3.16Å
28V92.3Very high91.5Very high21 Ų2152.9 Ų52.913%0.12732%0.317CS..Hα-helixtrans-67.8-45.6179.7175.50000111.7A24 I25 V26 S30 R31 T32 L87 V91A24-V28 WeakPolarHBondContact O-CG2 3.44Å; A24-V28 PolarHBondContact O-N 3.07Å; A24-V28 VanDerWaalsContact O-N 3.1Å; I25-V28 PolarHBondContact O-N 2.67Å; V26-V28 PolarHBondContact O-N 3.06Å; V28-S30 VanDerWaalsContact C-N 3.31Å; V28-S30 PolarHBondContact O-N 2.75Å; V28-R31 PolarHBondContact O-N 3.1Å; V28-T32 PolarHBondContact O-N 3.18Å; V28-T32 VanDerWaalsContact O-N 3.1Å; V28-T32 PolarHBondContact O-OG1 3.02Å; V28-L87 HydrophobicContact CG2-CD1 4.13Å; V28-V91 HydrophobicContact CG1-CG2 4Å; V28-V91 HydrophobicContact CG2-CG2 3.94Å
29V90.9Very high91.2Very high38 Ų3853 Ų5323%0.2332%0.317CS..Hα-helixtrans-63.8-37.3179.7173.10000110.7I25 V26 R31 T32 G33 I35 F86I25-V29 HydrophobicContact CG2-CG2 3.93Å; I25-V29 WeakPolarHBondContact O-CB 3.46Å; I25-V29 WeakPolarHBondContact O-CG2 3.4Å; I25-V29 PolarHBondContact O-N 3.23Å; V26-V29 PolarHBondContact O-N 3.35Å; V29-R31 PolarHBondContact O-N 2.99Å; V29-R31 VanDerWaalsContact O-N 3.09Å; V29-T32 PolarHBondContact O-N 3.45Å; V29-G33 PolarHBondContact O-N 3.26Å; V29-I35 HydrophobicContact CG2-CD1 3.91Å; V29-F86 HydrophobicContact CG2-CE1 4.47Å
30S92Very high91Very high88 Ų8853.5 Ų53.562%0.61531%0.311SS*.Hα-helixtrans-57.5-27.8177.1780000113.4V26 D27 V28V26-S30 VanDerWaalsContact O-CB 3.32Å; V26-S30 WeakPolarHBondContact O-CB 3.34Å; V26-S30 PolarHBondContact O-N 3.09Å; D27-S30 PolarHBondContact O-OG 2.88Å; V28-S30 VanDerWaalsContact C-N 3.31Å; V28-S30 PolarHBondContact O-N 2.75Å
31R90.5Very high90.8Very high141 Ų14151.9 Ų51.953%0.53230%0.299SS..Hα-helixtrans-95.9-20.6178.7-55.2175.7-164.9-170.85.9113.2D27 V28 V29 Y94D27-R31 VanDerWaalsContact CG-NH2 3.3Å; D27-R31 IonicContact OD1-CZ 3.79Å; D27-R31 IonicContact OD1-NE 3.64Å; D27-R31 PolarHBondContact OD1-NE 2.99Å; D27-R31 IonicContact OD1-NH2 2.84Å; D27-R31 PolarHBondContact OD1-NH2 3.44Å; D27-R31 IonicContact OD2-CZ 3.94Å; D27-R31 IonicContact OD2-NE 3.77Å; D27-R31 IonicContact OD2-NH2 3.77Å; D27-R31 PolarHBondContact OD2-NH2 3.16Å; V28-R31 PolarHBondContact O-N 3.1Å; V29-R31 PolarHBondContact O-N 2.99Å; V29-R31 VanDerWaalsContact O-N 3.09Å; R31-Y94 HydrophobicContact CB-CD2 4.07Å; R31-Y94 HydrophobicContact CB-CE2 3.7Å
32T87.2Confident90.5Very high26 Ų2653.1 Ų53.116%0.1630%0.304CS..Hα-helixtrans-97-23-175-45.30000112.3V28 V29 I35 A93 Y94V28-T32 PolarHBondContact O-N 3.18Å; V28-T32 VanDerWaalsContact O-N 3.1Å; V28-T32 PolarHBondContact O-OG1 3.02Å; V29-T32 PolarHBondContact O-N 3.45Å; T32-I35 HydrophobicContact CG2-CD1 3.77Å; T32-I35 HydrophobicContact CG2-CG1 4.12Å; T32-A93 HydrophobicContact CG2-CB 3.91Å; T32-Y94 VanDerWaalsContact OG1-CB 3.32Å; T32-Y94 WeakPolarHBondContact OG1-CB 3.38Å; T32-Y94 WeakPolarHBondContact OG1-CD2 3.44Å
33G82Confident90.1Very high29 Ų2954.4 Ų54.430%0.29932%0.316SS..  trans84.7-175.1-169.500000112.1V29 I35V29-G33 PolarHBondContact O-N 3.26Å; G33-I35 PolarHBondContact O-N 3.38Å
34P81.8Confident89.6Confident120 Ų12060.4 Ų60.478%0.77934%0.337SS*.  trans-62.1129.8-177.825.2-33000111.2
35I83.9Confident89.3Confident11 Ų1164.1 Ų64.16%0.05635%0.346CS..  trans-118.7125.6-178.3-68.7160.6000108.6V29 T32 G33 Y37 F86 A93V29-I35 HydrophobicContact CG2-CD1 3.91Å; T32-I35 HydrophobicContact CG2-CD1 3.77Å; T32-I35 HydrophobicContact CG2-CG1 4.12Å; G33-I35 PolarHBondContact O-N 3.38Å; I35-Y37 HydrophobicContact CG2-CD2 3.13Å; I35-Y37 HydrophobicContact CG2-CE2 3.22Å; I35-Y37 HydrophobicContact CG2-CG 4.21Å; I35-F86 HydrophobicContact CB-CZ 4.47Å; I35-F86 HydrophobicContact CG2-CE2 3.95Å; I35-F86 HydrophobicContact CG2-CZ 4.34Å; I35-A93 HydrophobicContact CD1-CB 4.42Å
36S84.7Confident89.1Confident55 Ų5566.6 Ų66.639%0.38536%0.359SS..  trans-110.177.9-175.4-54.10000111.8
37Y87.8Confident89Confident64 Ų6462.6 Ų62.625%0.25134%0.335SS..  trans-108.4141.4168.4-65.4-64.7000110.3I35 L46 A47 F86 Q89I35-Y37 HydrophobicContact CG2-CD2 3.13Å; I35-Y37 HydrophobicContact CG2-CE2 3.22Å; I35-Y37 HydrophobicContact CG2-CG 4.21Å; Y37-L46 WeakPolarHBondContact O-CA 3.46Å; Y37-A47 PolarHBondContact O-N 3.44Å; Y37-F86 HydrophobicContact CD2-CD2 4.25Å; Y37-F86 HydrophobicContact CD2-CE2 4.03Å; Y37-Q89 VanDerWaalsContact CB-OE1 3.29Å; Y37-Q89 HydrophobicContact CD2-CB 3.57Å; Y37-Q89 HydrophobicContact CD2-CG 4.34Å; Y37-Q89 HydrophobicContact CE2-CB 3.57Å; Y37-Q89 HydrophobicContact CE2-CG 4.47Å; Y37-Q89 HydrophobicContact CG-CB 4.21Å
38T90.1Very high88.8Confident31 Ų3161.6 Ų61.619%0.1933%0.334CS..BIsolated β-bridgetrans-70.6142.7171.850.50000110.9K45 L46T38-K45 WeakPolarHBondContact CA-O 3.49Å; T38-L46 HydrophobicContact CG2-CD2 4.45Å
39S91.3Very high88.7Confident1 Ų165.9 Ų65.91%0.00736%0.356CS..  trans-64.6139.4174163.70000110.9K41 F42 P43 K45 D82S39-K41 PolarHBondContact OG-N 3.13Å; S39-F42 WeakPolarHBondContact CB-O 3.44Å; S39-F42 CarbonylContact O-C 3.52Å; S39-F42 PolarHBondContact OG-N 3.24Å; S39-P43 VanDerWaalsContact O-CA 3.32Å; S39-P43 WeakPolarHBondContact O-CA 3.48Å; S39-K45 PolarHBondContact N-O 2.84Å; S39-D82 WeakPolarHBondContact CA-OD1 3.37Å; S39-D82 WeakPolarHBondContact CB-OD1 3.29Å; S39-D82 VanDerWaalsContact OG-CG 3.31Å; S39-D82 PolarHBondContact OG-OD1 3.37Å; S39-D82 PolarHBondContact OG-OD2 2.93Å
40W93.1Very high88.8Confident88 Ų8864.5 Ų64.533%0.33335%0.347SS..SBendtrans-67.4-43.8172178.980.5000111.9E78 V81 D82 L85W40-E78 HydrophobicContact CZ3-CB 4.09Å; W40-E78 HydrophobicContact CZ3-CG 4.38Å; W40-V81 HydrophobicContact CD2-CG1 4.41Å; W40-V81 HydrophobicContact CE3-CB 4.4Å; W40-V81 HydrophobicContact CE3-CG1 4.08Å; W40-V81 HydrophobicContact CH2-CG1 4.35Å; W40-V81 HydrophobicContact CZ3-CB 4.19Å; W40-V81 HydrophobicContact CZ3-CG1 4.05Å; W40-D82 WeakPolarHBondContact CA-OD1 3.38Å; W40-D82 HydrophobicContact CB-CB 4.48Å; W40-D82 WeakPolarHBondContact CB-OD1 3.43Å; W40-D82 HydrophobicContact CE3-CB 4.42Å; W40-D82 PolarHBondContact N-OD1 3.49Å; W40-L85 HydrophobicContact CB-CD1 3.68Å; W40-L85 HydrophobicContact CD2-CD1 4.09Å; W40-L85 HydrophobicContact CG-CD1 3.53Å
41K91.7Very high88.8Confident60 Ų6064.3 Ų64.326%0.26134%0.339SS..SBendtrans-75.8-37.9179.2175.456.3-176.61710112.6S39 P43 E78 L79 D82S39-K41 PolarHBondContact OG-N 3.13Å; K41-P43 WeakPolarHBondContact O-CD 3.49Å; K41-E78 HydrophobicContact CD-CB 4.02Å; K41-E78 WeakPolarHBondContact CD-OE2 3.21Å; K41-E78 WeakPolarHBondContact CE-OE2 3.31Å; K41-E78 IonicContact NZ-OE2 3.92Å; K41-E78 PolarHBondContact NZ-OE2 2.76Å; K41-L79 HydrophobicContact CG-CD2 4.32Å; K41-D82 HydrophobicContact CB-CB 3.98Å; K41-D82 PolarHBondContact N-OD1 2.86Å
42F91.6Very high89Confident50 Ų5058.1 Ų58.122%0.21932%0.317CS..  trans-120.879.4179-55.1-70.4000110.8S39 N44 K45 L50 L55 L79S39-F42 WeakPolarHBondContact CB-O 3.44Å; S39-F42 CarbonylContact O-C 3.52Å; S39-F42 PolarHBondContact OG-N 3.24Å; F42-N44 PolarHBondContact O-N 3.2Å; F42-K45 HydrophobicContact CB-CB 4.26Å; F42-K45 HydrophobicContact CB-CD 4.41Å; F42-K45 HydrophobicContact CB-CG 4.43Å; F42-K45 PolarHBondContact O-N 3.17Å; F42-L50 HydrophobicContact CB-CD2 4.27Å; F42-L50 HydrophobicContact CD2-CD1 4.09Å; F42-L50 HydrophobicContact CD2-CD2 3.6Å; F42-L50 HydrophobicContact CE2-CD2 4.31Å; F42-L50 HydrophobicContact CG-CD2 4.28Å; F42-L55 HydrophobicContact CE2-CD1 3.87Å; F42-L55 HydrophobicContact CE2-CD2 4.09Å; F42-L55 HydrophobicContact CZ-CD2 3.95Å; F42-L79 HydrophobicContact CE2-CD2 3.79Å
43P86.3Confident89.3Confident70 Ų7063.1 Ų63.146%0.45534%0.34SS..THydrogen-bonded Turntrans-57.4-20.8-174.4-26.935.2000115.4S39 K41 K45S39-P43 VanDerWaalsContact O-CA 3.32Å; S39-P43 WeakPolarHBondContact O-CA 3.48Å; K41-P43 WeakPolarHBondContact O-CD 3.49Å; P43-K45 VanDerWaalsContact C-N 3.32Å
44N86.2Confident89.9Confident169 Ų16966.3 Ų66.390%0.90435%0.35SS*.THydrogen-bonded Turntrans-82.8-6.1178.5-61.9-24.2000113.5F42F42-N44 PolarHBondContact O-N 3.2Å
45K89.5Confident90.5Very high119 Ų11961.3 Ų61.352%0.51732%0.317SS..SBendtrans-119.5151.9-179.5-64.1-174.6178.6-177.60110.4T38 S39 F42 P43 L50T38-K45 WeakPolarHBondContact CA-O 3.49Å; S39-K45 PolarHBondContact N-O 2.84Å; F42-K45 HydrophobicContact CB-CB 4.26Å; F42-K45 HydrophobicContact CB-CD 4.41Å; F42-K45 HydrophobicContact CB-CG 4.43Å; F42-K45 PolarHBondContact O-N 3.17Å; P43-K45 VanDerWaalsContact C-N 3.32Å; K45-L50 HydrophobicContact CB-CD2 3.92Å; K45-L50 HydrophobicContact CD-CD2 3.66Å; K45-L50 HydrophobicContact CG-CD2 4.43Å
46L90Very high91.1Very high57 Ų5761.2 Ų61.230%0.29832%0.316SS..BIsolated β-bridgetrans-73.6140.8166.1-66.3178.6000109.2Y37 T38 S48 D49 L50Y37-L46 WeakPolarHBondContact O-CA 3.46Å; T38-L46 HydrophobicContact CG2-CD2 4.45Å; L46-S48 PolarHBondContact O-N 3.41Å; L46-D49 HydrophobicContact CB-CB 4.2Å; L46-D49 WeakPolarHBondContact CD1-OD2 3.44Å; L46-D49 PolarHBondContact O-N 2.87Å; L46-D49 VanDerWaalsContact O-N 3.09Å; L46-L50 PolarHBondContact O-N 3.32Å
47A91.3Very high91.6Very high1 Ų165.9 Ų65.91%0.00833%0.332CS..G310 helixtrans-62.8-31.717800000111.9Y37 D49 R83 F86Y37-A47 PolarHBondContact O-N 3.44Å; A47-D49 VanDerWaalsContact C-N 3.28Å; A47-D49 PolarHBondContact O-N 2.88Å; A47-R83 PolarHBondContact O-NH1 3Å; A47-F86 HydrophobicContact CB-CB 4.07Å; A47-F86 HydrophobicContact CB-CD1 4.12Å; A47-F86 HydrophobicContact CB-CD2 3.42Å; A47-F86 VanDerWaalsContact CB-CD2 3.42Å; A47-F86 HydrophobicContact CB-CE1 4.44Å; A47-F86 HydrophobicContact CB-CE2 3.8Å; A47-F86 HydrophobicContact CB-CG 3.6Å; A47-F86 HydrophobicContact CB-CZ 4.3Å
48S89.8Confident92Very high55 Ų5567.8 Ų67.839%0.38534%0.343SS..G310 helixtrans-65.6-28173.954.40000113.8L46L46-S48 PolarHBondContact O-N 3.41Å
49D90.6Very high92.2Very high111 Ų11167.7 Ų67.759%0.59434%0.34SS*.G310 helixtrans-99.12.4-170-57.3-2.6000112.1L46 A47 D51L46-D49 HydrophobicContact CB-CB 4.2Å; L46-D49 WeakPolarHBondContact CD1-OD2 3.44Å; L46-D49 PolarHBondContact O-N 2.87Å; L46-D49 VanDerWaalsContact O-N 3.09Å; A47-D49 VanDerWaalsContact C-N 3.28Å; A47-D49 PolarHBondContact O-N 2.88Å; D49-D51 PolarHBondContact O-N 2.94Å
50L92.6Very high92.5Very high9 Ų970.9 Ų70.95%0.04736%0.356CS..  trans-74.1113.6176.3-71.8-178.1000110.1F42 K45 L46 L52 R83F42-L50 HydrophobicContact CB-CD2 4.27Å; F42-L50 HydrophobicContact CD2-CD1 4.09Å; F42-L50 HydrophobicContact CD2-CD2 3.6Å; F42-L50 HydrophobicContact CE2-CD2 4.31Å; F42-L50 HydrophobicContact CG-CD2 4.28Å; K45-L50 HydrophobicContact CB-CD2 3.92Å; K45-L50 HydrophobicContact CD-CD2 3.66Å; K45-L50 HydrophobicContact CG-CD2 4.43Å; L46-L50 PolarHBondContact O-N 3.32Å; L50-L52 PolarHBondContact O-N 2.94Å; L50-R83 PolarHBondContact O-NH2 3.19Å; L50-R83 VanDerWaalsContact O-NH2 3.09Å
51D93.6Very high92.6Very high83 Ų8368.8 Ų68.844%0.44435%0.35SS..  trans-67.4101.9169.3-161.9-37.5000110D49 M53 D54 L55D49-D51 PolarHBondContact O-N 2.94Å; D51-M53 VanDerWaalsContact C-N 3.32Å; D51-M53 WeakPolarHBondContact OD1-CB 3.49Å; D51-M53 PolarHBondContact OD1-N 3.32Å; D51-D54 HydrophobicContact CB-CB 4.12Å; D51-D54 PolarHBondContact OD1-N 2.95Å; D51-D54 VanDerWaalsContact OD1-N 3.16Å; D51-L55 WeakPolarHBondContact O-CD1 3.27Å; D51-L55 VanDerWaalsContact O-CG 3.3Å; D51-L55 WeakPolarHBondContact O-CG 3.33Å; D51-L55 PolarHBondContact O-N 3.34Å
52L93.5Very high92.7Very high11 Ų1168.4 Ų68.46%0.05835%0.352CS..Hα-helixtrans-73.9-27.5-179.3-172.964.3000111.7L18 Q22 L50 L56L18-L52 HydrophobicContact CB-CD1 4.49Å; L18-L52 HydrophobicContact CD2-CD1 4.44Å; Q22-L52 HydrophobicContact CB-CD2 3.36Å; Q22-L52 HydrophobicContact CG-CD2 3.57Å; L50-L52 PolarHBondContact O-N 2.94Å; L52-L56 HydrophobicContact CD1-CD1 4.43Å; L52-L56 HydrophobicContact CD1-CG 4.2Å; L52-L56 HydrophobicContact CD2-CD1 4.35Å; L52-L56 HydrophobicContact CG-CD1 3.88Å; L52-L56 HydrophobicContact CG-CG 4.11Å; L52-L56 WeakPolarHBondContact O-CB 3.26Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 2.78Å
53M93.1Very high92.7Very high131 Ų13172.2 Ų72.265%0.64538%0.375SS*.Hα-helixtrans-69.9-46-178.4-65.9-56.1-57.400110.1D51 L55 L56 E57D51-M53 VanDerWaalsContact C-N 3.32Å; D51-M53 WeakPolarHBondContact OD1-CB 3.49Å; D51-M53 PolarHBondContact OD1-N 3.32Å; M53-L55 PolarHBondContact O-N 3.1Å; M53-L56 PolarHBondContact O-N 3.49Å; M53-E57 PolarHBondContact O-N 2.86Å
54D94.8Very high92.8Very high97 Ų9772.5 Ų72.552%0.51939%0.39SS..Hα-helixtrans-60.3-45.6175.4-72.5-6000111.5D51 L56 E57 E58D51-D54 HydrophobicContact CB-CB 4.12Å; D51-D54 PolarHBondContact OD1-N 2.95Å; D51-D54 VanDerWaalsContact OD1-N 3.16Å; D54-L56 PolarHBondContact O-N 3.18Å; D54-E57 PolarHBondContact O-N 3.2Å; D54-E58 WeakPolarHBondContact O-CB 3.29Å; D54-E58 PolarHBondContact O-N 2.98Å
55L95.3Very high93Very high15 Ų1569.1 Ų69.18%0.07937%0.369CS..Hα-helixtrans-65.6-37.9178.6-72.2170000112.2F42 D51 M53 Y59 L79F42-L55 HydrophobicContact CE2-CD1 3.87Å; F42-L55 HydrophobicContact CE2-CD2 4.09Å; F42-L55 HydrophobicContact CZ-CD2 3.95Å; D51-L55 WeakPolarHBondContact O-CD1 3.27Å; D51-L55 VanDerWaalsContact O-CG 3.3Å; D51-L55 WeakPolarHBondContact O-CG 3.33Å; D51-L55 PolarHBondContact O-N 3.34Å; M53-L55 PolarHBondContact O-N 3.1Å; L55-Y59 HydrophobicContact CD2-CE2 4.14Å; L55-Y59 WeakPolarHBondContact O-CD2 3.42Å; L55-Y59 PolarHBondContact O-N 3.42Å; L55-L79 HydrophobicContact CB-CD1 4.39Å; L55-L79 HydrophobicContact CD1-CD2 4.18Å
56L95.9Very high93.1Very high8 Ų869 Ų694%0.04237%0.374CS..Hα-helixtrans-66.3-44.4173.5-71173000109.4R15 L18 V19 L52 M53 D54 E58 Y59 D60 L76R15-L56 HydrophobicContact CB-CD2 3.99Å; R15-L56 HydrophobicContact CG-CD2 3.93Å; R15-L56 PolarHBondContact NH1-O 3.47Å; R15-L56 PolarHBondContact NH2-O 2.89Å; L18-L56 HydrophobicContact CB-CD2 4.17Å; L18-L56 HydrophobicContact CD1-CD2 3.73Å; V19-L56 HydrophobicContact CG2-CD1 3.63Å; L52-L56 HydrophobicContact CD1-CD1 4.43Å; L52-L56 HydrophobicContact CD1-CG 4.2Å; L52-L56 HydrophobicContact CD2-CD1 4.35Å; L52-L56 HydrophobicContact CG-CD1 3.88Å; L52-L56 HydrophobicContact CG-CG 4.11Å; L52-L56 WeakPolarHBondContact O-CB 3.26Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 2.78Å; M53-L56 PolarHBondContact O-N 3.49Å; D54-L56 PolarHBondContact O-N 3.18Å; L56-E58 VanDerWaalsContact C-N 3.34Å; L56-E58 PolarHBondContact O-N 3.04Å; L56-Y59 PolarHBondContact O-N 3.47Å; L56-D60 PolarHBondContact O-N 3.28Å; L56-L76 HydrophobicContact CD2-CD2 3.83Å
57E95.4Very high93.1Very high153 Ų15370 Ų7072%0.71539%0.39SS*.Hα-helixtrans-60.7-41.9176.6-166.1167.1-17100112.7M53 D54 Y59M53-E57 PolarHBondContact O-N 2.86Å; D54-E57 PolarHBondContact O-N 3.2Å; E57-Y59 VanDerWaalsContact C-N 3.31Å; E57-Y59 PolarHBondContact O-N 2.94Å
58E95.5Very high93.3Very high105 Ų10573.4 Ų73.449%0.49140%0.404SS..Hα-helixtrans-64.5-28.2179.8-171.1-174.1154.600113.9D54 L56 Y68D54-E58 WeakPolarHBondContact O-CB 3.29Å; D54-E58 PolarHBondContact O-N 2.98Å; L56-E58 VanDerWaalsContact C-N 3.34Å; L56-E58 PolarHBondContact O-N 3.04Å; E58-Y68 PolarHBondContact O-OH 3.28Å
59Y96.3Very high93.5Very high29 Ų2970.8 Ų70.811%0.11439%0.385CS..THydrogen-bonded Turntrans-116.439.4-177.9-62-73.1000112.3R15 L55 L56 E57 V75R15-Y59 PolarHBondContact NH1-O 2.58Å; L55-Y59 HydrophobicContact CD2-CE2 4.14Å; L55-Y59 WeakPolarHBondContact O-CD2 3.42Å; L55-Y59 PolarHBondContact O-N 3.42Å; L56-Y59 PolarHBondContact O-N 3.47Å; E57-Y59 VanDerWaalsContact C-N 3.31Å; E57-Y59 PolarHBondContact O-N 2.94Å; Y59-V75 HydrophobicContact CD1-CB 4.09Å; Y59-V75 HydrophobicContact CD1-CG1 4.05Å; Y59-V75 HydrophobicContact CD1-CG2 4.37Å; Y59-V75 HydrophobicContact CD2-CG1 3.79Å; Y59-V75 HydrophobicContact CE1-CB 4.13Å; Y59-V75 HydrophobicContact CE1-CG1 3.9Å; Y59-V75 HydrophobicContact CE1-CG2 4.01Å; Y59-V75 HydrophobicContact CE2-CG1 3.71Å; Y59-V75 HydrophobicContact CG-CB 4.37Å; Y59-V75 HydrophobicContact CG-CG1 4.02Å
60D95.8Very high93.7Very high67 Ų6769.5 Ų69.536%0.35838%0.376SS..  trans-78.7163.4173.1-154.910.1000113.6R15 L56 V62 Y68R15-D60 IonicContact CZ-OD1 3.59Å; R15-D60 VanDerWaalsContact CZ-OD1 3.32Å; R15-D60 IonicContact NE-OD1 2.91Å; R15-D60 PolarHBondContact NE-OD1 3.48Å; R15-D60 VanDerWaalsContact NH1-CB 3.33Å; R15-D60 IonicContact NH1-OD1 2.98Å; R15-D60 PolarHBondContact NH1-OD1 3.31Å; R15-D60 IonicContact NH2-OD1 2.72Å; R15-D60 IonicContact NH2-OD2 3.82Å; L56-D60 PolarHBondContact O-N 3.28Å; D60-V62 PolarHBondContact O-N 2.94Å; D60-Y68 WeakPolarHBondContact O-CE1 3.34Å
61F96.1Very high93.9Very high45 Ų4573.8 Ų73.820%0.19740%0.395CS..  trans-73.4126.1178.6177.7-91.5000111.2K8 I11 N63 N69K8-F61 HydrophobicContact CB-CD1 4.08Å; K8-F61 HydrophobicContact CB-CD2 3.77Å; K8-F61 HydrophobicContact CB-CE1 3.99Å; K8-F61 HydrophobicContact CB-CE2 3.7Å; K8-F61 HydrophobicContact CB-CG 3.96Å; K8-F61 HydrophobicContact CB-CZ 3.82Å; K8-F61 HydrophobicContact CD-CD1 3.84Å; K8-F61 HydrophobicContact CD-CE1 3.76Å; K8-F61 HydrophobicContact CD-CG 4.45Å; K8-F61 HydrophobicContact CD-CZ 4.34Å; K8-F61 HydrophobicContact CG-CB 4.42Å; K8-F61 HydrophobicContact CG-CD1 3.71Å; K8-F61 HydrophobicContact CG-CD2 4.18Å; K8-F61 HydrophobicContact CG-CE1 3.96Å; K8-F61 HydrophobicContact CG-CE2 4.41Å; K8-F61 HydrophobicContact CG-CG 3.82Å; K8-F61 HydrophobicContact CG-CZ 4.31Å; I11-F61 HydrophobicContact CD1-CB 4.38Å; I11-F61 HydrophobicContact CD1-CD2 3.92Å; I11-F61 HydrophobicContact CG2-CB 4.13Å; F61-N63 VanDerWaalsContact CE1-OD1 3.31Å; F61-N63 WeakPolarHBondContact CE1-OD1 3.27Å; F61-N69 HydrophobicContact CD2-CB 4.31Å; F61-N69 HydrophobicContact CE2-CB 4.36Å; F61-N69 VanDerWaalsContact CE2-ND2 3.31Å; F61-N69 WeakPolarHBondContact CE2-ND2 3.27Å
62V94.6Very high94Very high51 Ų5169.9 Ų69.931%0.30937%0.374SS..  trans-112.3122.6178.2-179.70000109.9D60 G64 E65 Y68 N69D60-V62 PolarHBondContact O-N 2.94Å; V62-G64 PolarHBondContact O-N 3.46Å; V62-E65 HydrophobicContact CB-CB 4.39Å; V62-E65 HydrophobicContact CG1-CB 4.26Å; V62-E65 HydrophobicContact CG1-CG 3.89Å; V62-E65 PolarHBondContact O-N 2.86Å; V62-Y68 HydrophobicContact CB-CD1 4.22Å; V62-Y68 HydrophobicContact CB-CE1 4.29Å; V62-Y68 HydrophobicContact CG2-CD1 4.05Å; V62-Y68 HydrophobicContact CG2-CE1 3.63Å; V62-N69 PolarHBondContact N-OD1 3.41Å; V62-N69 PolarHBondContact O-ND2 2.85Å; V62-N69 PolarHBondContact O-OD1 3.35Å
63N91.3Very high94.1Very high131 Ų13170.8 Ų70.870%0.70138%0.378SS*.THydrogen-bonded Turntrans-63.3124.8179.7-69.2-52.3000110.6F61F61-N63 VanDerWaalsContact CE1-OD1 3.31Å; F61-N63 WeakPolarHBondContact CE1-OD1 3.27Å
64G87.1Confident94.2Very high75 Ų7567.4 Ų67.477%0.77337%0.365SS*.THydrogen-bonded Turntrans91.60.7173.500000115.5V62V62-G64 PolarHBondContact O-N 3.46Å
65E91.8Very high94.3Very high99 Ų9963 Ų6346%0.46334%0.341SS..  trans-113.471179.3-61.9-169.3176.800112.2V62 A67 Y68 N69V62-E65 HydrophobicContact CB-CB 4.39Å; V62-E65 HydrophobicContact CG1-CB 4.26Å; V62-E65 HydrophobicContact CG1-CG 3.89Å; V62-E65 PolarHBondContact O-N 2.86Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 2.95Å; E65-Y68 PolarHBondContact O-N 3.38Å; E65-N69 WeakPolarHBondContact O-CB 3.44Å; E65-N69 VanDerWaalsContact O-CG 3.27Å; E65-N69 PolarHBondContact O-N 3.24Å; E65-N69 PolarHBondContact O-ND2 3.47Å; E65-N69 VanDerWaalsContact O-ND2 3.13Å
66D90.1Very high94.3Very high116 Ų11662.2 Ų62.262%0.6234%0.337SS*.Hα-helixtrans-59.5-39.8-173.2-66.4-24.9000113.6N69 Q70D66-N69 PolarHBondContact O-N 3.05Å; D66-Q70 WeakPolarHBondContact O-CB 3.35Å; D66-Q70 WeakPolarHBondContact O-CG 3.42Å; D66-Q70 PolarHBondContact O-N 2.97Å
67A91.3Very high94.3Very high77 Ų7766.1 Ų66.164%0.63636%0.358SS*.Hα-helixtrans-66.9-39.9179.300000112.4E65 H71E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 2.95Å; A67-H71 PolarHBondContact O-N 3.49Å; A67-H71 VanDerWaalsContact O-N 3.07Å
68Y94.8Very high94.4Very high74 Ų7461.6 Ų61.629%0.2934%0.337SS..Hα-helixtrans-69.1-43.9175.2172.2-95.4000110.7E58 D60 V62 E65 Q70 H71 S72E58-Y68 PolarHBondContact O-OH 3.28Å; D60-Y68 WeakPolarHBondContact O-CE1 3.34Å; V62-Y68 HydrophobicContact CB-CD1 4.22Å; V62-Y68 HydrophobicContact CB-CE1 4.29Å; V62-Y68 HydrophobicContact CG2-CD1 4.05Å; V62-Y68 HydrophobicContact CG2-CE1 3.63Å; E65-Y68 PolarHBondContact O-N 3.38Å; Y68-Q70 VanDerWaalsContact C-N 3.29Å; Y68-Q70 PolarHBondContact O-N 3.42Å; Y68-H71 CarbonylContact O-C 3.58Å; Y68-H71 WeakPolarHBondContact O-CA 3.48Å; Y68-H71 WeakPolarHBondContact O-CB 3.06Å; Y68-H71 PolarHBondContact O-N 3.26Å; Y68-S72 WeakPolarHBondContact CE1-OG 3.41Å; Y68-S72 PolarHBondContact O-N 2.76Å; Y68-S72 PolarHBondContact O-OG 3.35Å
69N95.1Very high94.4Very high0 Ų056.6 Ų56.60%031%0.313CS..Hα-helixtrans-61.5-37.4176.2-70.1-35.6000112.5G6 I11 F61 V62 E65 D66 H73G6-N69 WeakPolarHBondContact CA-O 3.23Å; I11-N69 HydrophobicContact CD1-CB 4.02Å; I11-N69 WeakPolarHBondContact CD1-O 3.01Å; F61-N69 HydrophobicContact CD2-CB 4.31Å; F61-N69 HydrophobicContact CE2-CB 4.36Å; F61-N69 VanDerWaalsContact CE2-ND2 3.31Å; F61-N69 WeakPolarHBondContact CE2-ND2 3.27Å; V62-N69 PolarHBondContact N-OD1 3.41Å; V62-N69 PolarHBondContact O-ND2 2.85Å; V62-N69 PolarHBondContact O-OD1 3.35Å; E65-N69 WeakPolarHBondContact O-CB 3.44Å; E65-N69 VanDerWaalsContact O-CG 3.27Å; E65-N69 PolarHBondContact O-N 3.24Å; E65-N69 PolarHBondContact O-ND2 3.47Å; E65-N69 VanDerWaalsContact O-ND2 3.13Å; D66-N69 PolarHBondContact O-N 3.05Å; N69-H73 WeakPolarHBondContact O-CB 3.37Å; N69-H73 PolarHBondContact O-N 3.4Å
70Q94.7Very high94.4Very high83 Ų8356.2 Ų56.239%0.38831%0.314SS..Hα-helixtrans-62.5-42.8171.9-76.3174.76.500111.5L5 D66 Y68 H73 V74L5-Q70 HydrophobicContact CB-CG 4.28Å; L5-Q70 HydrophobicContact CD2-CB 3.71Å; L5-Q70 HydrophobicContact CD2-CG 3.79Å; L5-Q70 WeakPolarHBondContact O-CG 3.32Å; D66-Q70 WeakPolarHBondContact O-CB 3.35Å; D66-Q70 WeakPolarHBondContact O-CG 3.42Å; D66-Q70 PolarHBondContact O-N 2.97Å; Y68-Q70 VanDerWaalsContact C-N 3.29Å; Y68-Q70 PolarHBondContact O-N 3.42Å; Q70-H73 PolarHBondContact O-N 2.75Å; Q70-V74 WeakPolarHBondContact O-CG2 3.49Å; Q70-V74 PolarHBondContact O-N 3.37Å; Q70-V74 VanDerWaalsContact O-N 3.16Å
71H95Very high94.4Very high100 Ų10055.4 Ų55.446%0.46331%0.311SS..Hα-helixtrans-62.5-50.2174.7-178.163.7000112A67 Y68 H73 V74 V75A67-H71 PolarHBondContact O-N 3.49Å; A67-H71 VanDerWaalsContact O-N 3.07Å; Y68-H71 CarbonylContact O-C 3.58Å; Y68-H71 WeakPolarHBondContact O-CA 3.48Å; Y68-H71 WeakPolarHBondContact O-CB 3.06Å; Y68-H71 PolarHBondContact O-N 3.26Å; H71-H73 VanDerWaalsContact C-N 3.3Å; H71-H73 PolarHBondContact O-N 3.2Å; H71-V74 PolarHBondContact O-N 2.97Å; H71-V74 VanDerWaalsContact O-N 3.09Å; H71-V75 WeakPolarHBondContact O-CG2 3.42Å; H71-V75 PolarHBondContact O-N 3.06Å
72S95.8Very high94.4Very high0 Ų053.4 Ų53.40%030%0.303CS..Hα-helixtrans-56.8-42.2176.6-63.70000111.8Y68 V74 V75 L76Y68-S72 WeakPolarHBondContact CE1-OG 3.41Å; Y68-S72 PolarHBondContact O-N 2.76Å; Y68-S72 PolarHBondContact O-OG 3.35Å; S72-V74 PolarHBondContact O-N 2.85Å; S72-V75 PolarHBondContact O-N 2.86Å; S72-L76 WeakPolarHBondContact O-CB 3.3Å; S72-L76 WeakPolarHBondContact O-CG 3.17Å; S72-L76 PolarHBondContact O-N 2.85Å
73H96.1Very high94.4Very high30 Ų3051 Ų5114%0.13929%0.288CS..Hα-helixtrans-58.3-48.6174.8-171.1138.5000111.6G6 C10 I11 N69 Q70 H71 L76 L77G6-H73 PolarHBondContact N-ND1 3.12Å; G6-H73 VanDerWaalsContact N-ND1 3.13Å; C10-H73 VanDerWaalsContact CB-CE1 3.46Å; C10-H73 WeakPolarHBondContact CB-CE1 3.4Å; I11-H73 HydrophobicContact CD1-CB 4.45Å; I11-H73 HydrophobicContact CG1-CB 4.09Å; N69-H73 WeakPolarHBondContact O-CB 3.37Å; N69-H73 PolarHBondContact O-N 3.4Å; Q70-H73 PolarHBondContact O-N 2.75Å; H71-H73 VanDerWaalsContact C-N 3.3Å; H71-H73 PolarHBondContact O-N 3.2Å; H73-L76 PolarHBondContact O-N 3.23Å; H73-L77 WeakPolarHBondContact O-CB 3.5Å; H73-L77 PolarHBondContact O-N 2.84Å
74V95.4Very high94.7Very high60 Ų6048.4 Ų48.436%0.36427%0.274SS..Hα-helixtrans-63.8-45.1179.4174.40000111L5 Q70 H71 S72 L76 L77 E78L5-V74 HydrophobicContact CD2-CG2 4.09Å; Q70-V74 WeakPolarHBondContact O-CG2 3.49Å; Q70-V74 PolarHBondContact O-N 3.37Å; Q70-V74 VanDerWaalsContact O-N 3.16Å; H71-V74 PolarHBondContact O-N 2.97Å; H71-V74 VanDerWaalsContact O-N 3.09Å; S72-V74 PolarHBondContact O-N 2.85Å; V74-L76 PolarHBondContact O-N 2.93Å; V74-L77 WeakPolarHBondContact O-CB 3.34Å; V74-L77 PolarHBondContact O-N 3.16Å; V74-E78 WeakPolarHBondContact O-CG 3.49Å; V74-E78 PolarHBondContact O-N 3.25Å
75V96.2Very high95Very high4 Ų445.3 Ų45.32%0.02424%0.239CC..Hα-helixtrans-63.2-43.7179.5174.70000111.4Y59 H71 S72 L77 E78 L79Y59-V75 HydrophobicContact CD1-CB 4.09Å; Y59-V75 HydrophobicContact CD1-CG1 4.05Å; Y59-V75 HydrophobicContact CD1-CG2 4.37Å; Y59-V75 HydrophobicContact CD2-CG1 3.79Å; Y59-V75 HydrophobicContact CE1-CB 4.13Å; Y59-V75 HydrophobicContact CE1-CG1 3.9Å; Y59-V75 HydrophobicContact CE1-CG2 4.01Å; Y59-V75 HydrophobicContact CE2-CG1 3.71Å; Y59-V75 HydrophobicContact CG-CB 4.37Å; Y59-V75 HydrophobicContact CG-CG1 4.02Å; H71-V75 WeakPolarHBondContact O-CG2 3.42Å; H71-V75 PolarHBondContact O-N 3.06Å; S72-V75 PolarHBondContact O-N 2.86Å; V75-L77 VanDerWaalsContact C-N 3.32Å; V75-L77 PolarHBondContact O-N 2.87Å; V75-E78 PolarHBondContact O-N 3.48Å; V75-L79 HydrophobicContact CG1-CD1 4.18Å; V75-L79 HydrophobicContact CG1-CG 4.48Å; V75-L79 WeakPolarHBondContact O-CG 3.38Å; V75-L79 PolarHBondContact O-N 3.07Å
76L96.8Very high95.1Very high0 Ų040.9 Ų40.90%022%0.219CC..Hα-helixtrans-62.9-38.8176.1-70.4170.3000111.9I11 L14 R15 L18 L56 S72 H73 V74 L79 V80I11-L76 HydrophobicContact CB-CD1 4.48Å; I11-L76 HydrophobicContact CG2-CD1 3.76Å; L14-L76 HydrophobicContact CB-CB 4.03Å; L14-L76 HydrophobicContact CB-CD1 4.46Å; L14-L76 HydrophobicContact CD1-CB 4.11Å; R15-L76 HydrophobicContact CG-CD1 3.99Å; R15-L76 HydrophobicContact CG-CD2 4.32Å; L18-L76 HydrophobicContact CD1-CB 4.34Å; L18-L76 HydrophobicContact CD1-CD2 3.6Å; L56-L76 HydrophobicContact CD2-CD2 3.83Å; S72-L76 WeakPolarHBondContact O-CB 3.3Å; S72-L76 WeakPolarHBondContact O-CG 3.17Å; S72-L76 PolarHBondContact O-N 2.85Å; H73-L76 PolarHBondContact O-N 3.23Å; V74-L76 PolarHBondContact O-N 2.93Å; L76-L79 HydrophobicContact CD2-CD1 4.39Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.42Å; L76-V80 WeakPolarHBondContact O-CG2 3.32Å; L76-V80 PolarHBondContact O-N 2.94Å
77L96.3Very high95.3Very high89 Ų8937 Ų3747%0.46620%0.198SC..Hα-helixtrans-64.6-42.7175.1-172.670.6000111.7L14 H73 V74 V75 L79 V80 V81L14-L77 HydrophobicContact CD2-CD1 3.96Å; H73-L77 WeakPolarHBondContact O-CB 3.5Å; H73-L77 PolarHBondContact O-N 2.84Å; V74-L77 WeakPolarHBondContact O-CB 3.34Å; V74-L77 PolarHBondContact O-N 3.16Å; V75-L77 VanDerWaalsContact C-N 3.32Å; V75-L77 PolarHBondContact O-N 2.87Å; L77-L79 VanDerWaalsContact C-N 3.31Å; L77-L79 PolarHBondContact O-N 3.36Å; L77-V80 WeakPolarHBondContact O-CB 3.18Å; L77-V80 PolarHBondContact O-N 2.84Å; L77-V81 PolarHBondContact O-N 3.34Å; L77-V81 VanDerWaalsContact O-N 3.14Å
78E95.6Very high95.4Very high59 Ų5935.4 Ų35.428%0.27618%0.178SC..Hα-helixtrans-64.3-36.1174.7-70.5178.4153.600112.1W40 K41 V74 V75 V81 D82W40-E78 HydrophobicContact CZ3-CB 4.09Å; W40-E78 HydrophobicContact CZ3-CG 4.38Å; K41-E78 HydrophobicContact CD-CB 4.02Å; K41-E78 WeakPolarHBondContact CD-OE2 3.21Å; K41-E78 WeakPolarHBondContact CE-OE2 3.31Å; K41-E78 IonicContact NZ-OE2 3.92Å; K41-E78 PolarHBondContact NZ-OE2 2.76Å; V74-E78 WeakPolarHBondContact O-CG 3.49Å; V74-E78 PolarHBondContact O-N 3.25Å; V75-E78 PolarHBondContact O-N 3.48Å; E78-V81 PolarHBondContact O-N 2.93Å; E78-D82 WeakPolarHBondContact O-CB 3.43Å; E78-D82 PolarHBondContact O-N 2.9Å
79L96.6Very high95.3Very high0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-64.6-38.4172.2-75.6171.3000111.6L18 K41 F42 L55 V75 L76 L77 V81 D82 R83L18-L79 HydrophobicContact CD1-CB 3.99Å; L18-L79 HydrophobicContact CD1-CD1 4.48Å; L18-L79 HydrophobicContact CD2-CB 3.79Å; K41-L79 HydrophobicContact CG-CD2 4.32Å; F42-L79 HydrophobicContact CE2-CD2 3.79Å; L55-L79 HydrophobicContact CB-CD1 4.39Å; L55-L79 HydrophobicContact CD1-CD2 4.18Å; V75-L79 HydrophobicContact CG1-CD1 4.18Å; V75-L79 HydrophobicContact CG1-CG 4.48Å; V75-L79 WeakPolarHBondContact O-CG 3.38Å; V75-L79 PolarHBondContact O-N 3.07Å; L76-L79 HydrophobicContact CD2-CD1 4.39Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.42Å; L77-L79 VanDerWaalsContact C-N 3.31Å; L77-L79 PolarHBondContact O-N 3.36Å; L79-V81 VanDerWaalsContact C-N 3.3Å; L79-V81 PolarHBondContact O-N 2.96Å; L79-D82 WeakPolarHBondContact O-CB 3.39Å; L79-D82 PolarHBondContact O-N 3Å; L79-R83 WeakPolarHBondContact O-CG 3.29Å; L79-R83 PolarHBondContact O-N 3.16Å
80V97.1Very high95.1Very high20 Ų2033 Ų3312%0.12117%0.169CC..Hα-helixtrans-60.3-45.5175.6167.40000109.7L14 L18 I21 L76 L77 D82 R83 L84L14-V80 HydrophobicContact CD2-CG2 4.14Å; L18-V80 HydrophobicContact CD1-CG2 4.34Å; L18-V80 HydrophobicContact CD2-CB 4.4Å; L18-V80 HydrophobicContact CD2-CG2 3.81Å; L18-V80 HydrophobicContact CG-CG2 3.66Å; I21-V80 HydrophobicContact CD1-CG1 3.93Å; L76-V80 WeakPolarHBondContact O-CG2 3.32Å; L76-V80 PolarHBondContact O-N 2.94Å; L77-V80 WeakPolarHBondContact O-CB 3.18Å; L77-V80 PolarHBondContact O-N 2.84Å; V80-D82 PolarHBondContact O-N 3.36Å; V80-R83 PolarHBondContact O-N 3.37Å; V80-L84 HydrophobicContact CG1-CD1 3.81Å; V80-L84 HydrophobicContact CG1-CG 4.34Å; V80-L84 WeakPolarHBondContact O-CB 3.28Å; V80-L84 VanDerWaalsContact O-CG 3.27Å; V80-L84 WeakPolarHBondContact O-CG 3.41Å; V80-L84 PolarHBondContact O-N 3.44Å
81V95.4Very high94.9Very high51 Ų5130.6 Ų30.631%0.30916%0.161SC..Hα-helixtrans-60.2-47175.8176.40000110.9W40 L77 E78 L79 R83 L84 L85W40-V81 HydrophobicContact CD2-CG1 4.41Å; W40-V81 HydrophobicContact CE3-CB 4.4Å; W40-V81 HydrophobicContact CE3-CG1 4.08Å; W40-V81 HydrophobicContact CH2-CG1 4.35Å; W40-V81 HydrophobicContact CZ3-CB 4.19Å; W40-V81 HydrophobicContact CZ3-CG1 4.05Å; L77-V81 PolarHBondContact O-N 3.34Å; L77-V81 VanDerWaalsContact O-N 3.14Å; E78-V81 PolarHBondContact O-N 2.93Å; L79-V81 VanDerWaalsContact C-N 3.3Å; L79-V81 PolarHBondContact O-N 2.96Å; V81-R83 PolarHBondContact O-N 3.09Å; V81-L84 PolarHBondContact O-N 2.84Å; V81-L85 HydrophobicContact CG1-CD1 4.07Å; V81-L85 HydrophobicContact CG1-CG 4.44Å; V81-L85 VanDerWaalsContact O-CG 3.25Å; V81-L85 WeakPolarHBondContact O-CG 3.5Å; V81-L85 PolarHBondContact O-N 2.96Å
82D95.3Very high94.6Very high2 Ų226.5 Ų26.51%0.01114%0.143CC..Hα-helixtrans-54.8-49.5176.6-179.284.2000112.6S39 W40 K41 E78 L79 V80 L85 F86S39-D82 WeakPolarHBondContact CA-OD1 3.37Å; S39-D82 WeakPolarHBondContact CB-OD1 3.29Å; S39-D82 VanDerWaalsContact OG-CG 3.31Å; S39-D82 PolarHBondContact OG-OD1 3.37Å; S39-D82 PolarHBondContact OG-OD2 2.93Å; W40-D82 WeakPolarHBondContact CA-OD1 3.38Å; W40-D82 HydrophobicContact CB-CB 4.48Å; W40-D82 WeakPolarHBondContact CB-OD1 3.43Å; W40-D82 HydrophobicContact CE3-CB 4.42Å; W40-D82 PolarHBondContact N-OD1 3.49Å; K41-D82 HydrophobicContact CB-CB 3.98Å; K41-D82 PolarHBondContact N-OD1 2.86Å; E78-D82 WeakPolarHBondContact O-CB 3.43Å; E78-D82 PolarHBondContact O-N 2.9Å; L79-D82 WeakPolarHBondContact O-CB 3.39Å; L79-D82 PolarHBondContact O-N 3Å; V80-D82 PolarHBondContact O-N 3.36Å; D82-L85 PolarHBondContact O-N 2.95Å; D82-F86 PolarHBondContact O-N 2.88Å
83R95.4Very high94.2Very high1 Ų127.6 Ų27.60%0.00415%0.152CC..Hα-helixtrans-68.7-40.4-179.1-64.1-47.8-175.4169.48.7112.4L18 I21 I25 A47 L50 L79 V80 V81 L85 F86 L87L18-R83 HydrophobicContact CD2-CB 4.44Å; L18-R83 HydrophobicContact CD2-CG 3.85Å; I21-R83 HydrophobicContact CB-CB 4.44Å; I21-R83 HydrophobicContact CG2-CB 3.6Å; I25-R83 HydrophobicContact CD1-CB 3.95Å; I25-R83 WeakPolarHBondContact CD1-O 3.31Å; A47-R83 PolarHBondContact O-NH1 3Å; L50-R83 PolarHBondContact O-NH2 3.19Å; L50-R83 VanDerWaalsContact O-NH2 3.09Å; L79-R83 WeakPolarHBondContact O-CG 3.29Å; L79-R83 PolarHBondContact O-N 3.16Å; V80-R83 PolarHBondContact O-N 3.37Å; V81-R83 PolarHBondContact O-N 3.09Å; R83-L85 VanDerWaalsContact C-N 3.32Å; R83-L85 PolarHBondContact O-N 2.84Å; R83-F86 PolarHBondContact O-N 3.3Å; R83-L87 WeakPolarHBondContact O-CB 3.38Å; R83-L87 PolarHBondContact O-N 2.87Å
84L96.4Very high93.8Very high77 Ų7729.1 Ų29.140%0.40316%0.157SC..Hα-helixtrans-61.6-40.9174.4-72.6172.5000111.7I21 V80 V81 L87 L88I21-L84 HydrophobicContact CD1-CD2 3.86Å; I21-L84 HydrophobicContact CD1-CG 3.93Å; I21-L84 HydrophobicContact CG1-CD2 4.06Å; I21-L84 HydrophobicContact CG2-CD2 4.28Å; V80-L84 HydrophobicContact CG1-CD1 3.81Å; V80-L84 HydrophobicContact CG1-CG 4.34Å; V80-L84 WeakPolarHBondContact O-CB 3.28Å; V80-L84 VanDerWaalsContact O-CG 3.27Å; V80-L84 WeakPolarHBondContact O-CG 3.41Å; V80-L84 PolarHBondContact O-N 3.44Å; V81-L84 PolarHBondContact O-N 2.84Å; L84-L87 PolarHBondContact O-N 3.47Å; L84-L88 WeakPolarHBondContact O-CG 3.42Å; L84-L88 PolarHBondContact O-N 3.19Å
85L93.8Very high93.3Very high10 Ų1027.2 Ų27.25%0.05215%0.147CC..Hα-helixtrans-62.2-45.3174.9-71.2171.2000111.5W40 V81 D82 R83 L87 L88 Q89 V115 V118W40-L85 HydrophobicContact CB-CD1 3.68Å; W40-L85 HydrophobicContact CD2-CD1 4.09Å; W40-L85 HydrophobicContact CG-CD1 3.53Å; V81-L85 HydrophobicContact CG1-CD1 4.07Å; V81-L85 HydrophobicContact CG1-CG 4.44Å; V81-L85 VanDerWaalsContact O-CG 3.25Å; V81-L85 WeakPolarHBondContact O-CG 3.5Å; V81-L85 PolarHBondContact O-N 2.96Å; D82-L85 PolarHBondContact O-N 2.95Å; R83-L85 VanDerWaalsContact C-N 3.32Å; R83-L85 PolarHBondContact O-N 2.84Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L85-L87 PolarHBondContact O-N 2.9Å; L85-L88 PolarHBondContact O-N 3.32Å; L85-Q89 VanDerWaalsContact O-CG 3.28Å; L85-Q89 WeakPolarHBondContact O-CG 2.98Å; L85-Q89 PolarHBondContact O-N 3.47Å; L85-V115 HydrophobicContact CD1-CG2 3.87Å; L85-V115 HydrophobicContact CD2-CB 4.3Å; L85-V115 HydrophobicContact CD2-CG1 4.15Å; L85-V115 HydrophobicContact CD2-CG2 4.24Å; L85-V118 HydrophobicContact CD2-CB 3.97Å; L85-V118 HydrophobicContact CD2-CG1 3.89Å; L85-V118 HydrophobicContact CD2-CG2 4.41Å
86F93.9Very high92.7Very high6 Ų629.3 Ų29.33%0.02616%0.156CC..Hα-helixtrans-64.4-37.3177.7-174.1-122.8000112.2I25 V29 I35 Y37 A47 D82 R83 Q89 S90I25-F86 HydrophobicContact CD1-CD1 4.07Å; I25-F86 HydrophobicContact CG1-CD1 4.31Å; I25-F86 HydrophobicContact CG2-CD1 3.6Å; I25-F86 HydrophobicContact CG2-CE1 3.48Å; I25-F86 VanDerWaalsContact CG2-CE1 3.48Å; V29-F86 HydrophobicContact CG2-CE1 4.47Å; I35-F86 HydrophobicContact CB-CZ 4.47Å; I35-F86 HydrophobicContact CG2-CE2 3.95Å; I35-F86 HydrophobicContact CG2-CZ 4.34Å; Y37-F86 HydrophobicContact CD2-CD2 4.25Å; Y37-F86 HydrophobicContact CD2-CE2 4.03Å; A47-F86 HydrophobicContact CB-CB 4.07Å; A47-F86 HydrophobicContact CB-CD1 4.12Å; A47-F86 HydrophobicContact CB-CD2 3.42Å; A47-F86 VanDerWaalsContact CB-CD2 3.42Å; A47-F86 HydrophobicContact CB-CE1 4.44Å; A47-F86 HydrophobicContact CB-CE2 3.8Å; A47-F86 HydrophobicContact CB-CG 3.6Å; A47-F86 HydrophobicContact CB-CZ 4.3Å; D82-F86 PolarHBondContact O-N 2.88Å; R83-F86 PolarHBondContact O-N 3.3Å; F86-Q89 PolarHBondContact O-N 3.43Å; F86-S90 VanDerWaalsContact O-CB 3.29Å; F86-S90 WeakPolarHBondContact O-CB 3.19Å; F86-S90 PolarHBondContact O-N 2.94Å; F86-S90 PolarHBondContact O-OG 3.43Å
87L94.9Very high91.9Very high34 Ų3432.9 Ų32.918%0.17818%0.175CC..Hα-helixtrans-60.9-47.7173.1-179.661.2000111.2I21 A24 I25 V28 R83 L84 L85 Q89 S90 V91I21-L87 HydrophobicContact CG2-CD2 4.49Å; A24-L87 HydrophobicContact CB-CD1 4.23Å; A24-L87 HydrophobicContact CB-CD2 4.27Å; I25-L87 HydrophobicContact CD1-CB 4.43Å; I25-L87 HydrophobicContact CG1-CB 3.8Å; I25-L87 HydrophobicContact CG1-CD1 3.96Å; I25-L87 HydrophobicContact CG1-CG 4.41Å; V28-L87 HydrophobicContact CG2-CD1 4.13Å; R83-L87 WeakPolarHBondContact O-CB 3.38Å; R83-L87 PolarHBondContact O-N 2.87Å; L84-L87 PolarHBondContact O-N 3.47Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L85-L87 PolarHBondContact O-N 2.9Å; L87-Q89 VanDerWaalsContact C-N 3.33Å; L87-Q89 PolarHBondContact O-N 3.3Å; L87-S90 PolarHBondContact O-N 3.37Å; L87-V91 HydrophobicContact CD1-CG2 4.15Å; L87-V91 WeakPolarHBondContact O-CG2 3.48Å; L87-V91 PolarHBondContact O-N 3.29Å
88L93.4Very high91Very high44 Ų4435 Ų3523%0.2318%0.182CC..Hα-helixtrans-61.2-40.9177.4-69.1176.5000112.3L84 L85 S92 V118 V119 Y122L84-L88 WeakPolarHBondContact O-CG 3.42Å; L84-L88 PolarHBondContact O-N 3.19Å; L85-L88 PolarHBondContact O-N 3.32Å; L88-S92 WeakPolarHBondContact O-CB 3.38Å; L88-S92 PolarHBondContact O-N 3.35Å; L88-S92 PolarHBondContact O-OG 2.81Å; L88-V118 HydrophobicContact CB-CG1 4.2Å; L88-V119 HydrophobicContact CD1-CG2 4.01Å; L88-Y122 HydrophobicContact CB-CD2 4.41Å; L88-Y122 HydrophobicContact CB-CG 4.34Å; L88-Y122 HydrophobicContact CD2-CD1 3.73Å; L88-Y122 HydrophobicContact CD2-CD2 3.99Å; L88-Y122 HydrophobicContact CD2-CE1 3.81Å; L88-Y122 HydrophobicContact CD2-CE2 4.07Å; L88-Y122 HydrophobicContact CD2-CG 3.82Å
89Q91.6Very high89.9Confident22 Ų2234.9 Ų34.910%0.10318%0.179CC..Hα-helixtrans-64.9-42.6175.1-70171.7-20.900111.4Y37 L85 F86 L87 S92 A93 V118Y37-Q89 VanDerWaalsContact CB-OE1 3.29Å; Y37-Q89 HydrophobicContact CD2-CB 3.57Å; Y37-Q89 HydrophobicContact CD2-CG 4.34Å; Y37-Q89 HydrophobicContact CE2-CB 3.57Å; Y37-Q89 HydrophobicContact CE2-CG 4.47Å; Y37-Q89 HydrophobicContact CG-CB 4.21Å; L85-Q89 VanDerWaalsContact O-CG 3.28Å; L85-Q89 WeakPolarHBondContact O-CG 2.98Å; L85-Q89 PolarHBondContact O-N 3.47Å; F86-Q89 PolarHBondContact O-N 3.43Å; L87-Q89 VanDerWaalsContact C-N 3.33Å; L87-Q89 PolarHBondContact O-N 3.3Å; Q89-S92 WeakPolarHBondContact O-CB 3.3Å; Q89-S92 PolarHBondContact O-N 3.47Å; Q89-A93 PolarHBondContact O-N 3.11Å; Q89-V118 HydrophobicContact CG-CG1 3.63Å; Q89-V118 HydrophobicContact CG-CG2 4.33Å
90S90.8Very high88.2Confident0 Ų037.9 Ų37.90%021%0.21CC..Hα-helixtrans-64.7-44178.4-59.40000112.1F86 L87 S92 A93 Y94F86-S90 VanDerWaalsContact O-CB 3.29Å; F86-S90 WeakPolarHBondContact O-CB 3.19Å; F86-S90 PolarHBondContact O-N 2.94Å; F86-S90 PolarHBondContact O-OG 3.43Å; L87-S90 PolarHBondContact O-N 3.37Å; S90-S92 VanDerWaalsContact C-N 3.31Å; S90-S92 PolarHBondContact O-N 3.07Å; S90-A93 PolarHBondContact O-N 2.96Å; S90-Y94 WeakPolarHBondContact O-CB 3.36Å; S90-Y94 PolarHBondContact O-N 3.18Å
91V91Very high86.3Confident34 Ų3444 Ų4421%0.20623%0.231CC..Hα-helixtrans-67.2-33.9175.81780000111.4V28 L87 Y94 S95 Y122V28-V91 HydrophobicContact CG1-CG2 4Å; V28-V91 HydrophobicContact CG2-CG2 3.94Å; L87-V91 HydrophobicContact CD1-CG2 4.15Å; L87-V91 WeakPolarHBondContact O-CG2 3.48Å; L87-V91 PolarHBondContact O-N 3.29Å; V91-Y94 PolarHBondContact O-N 2.96Å; V91-S95 VanDerWaalsContact O-CB 3.31Å; V91-S95 WeakPolarHBondContact O-CB 3.37Å; V91-S95 PolarHBondContact O-N 3.48Å; V91-S95 PolarHBondContact O-OG 3.36Å; V91-Y122 HydrophobicContact CB-CE2 4.05Å; V91-Y122 HydrophobicContact CG1-CE2 3.72Å
92S88.6Confident84Confident14 Ų1450 Ų5010%0.09826%0.256CS..Hα-helixtrans-63.2-45.5172.7-59.10000111.2L88 Q89 S90 S95 E96 Y122L88-S92 WeakPolarHBondContact O-CB 3.38Å; L88-S92 PolarHBondContact O-N 3.35Å; L88-S92 PolarHBondContact O-OG 2.81Å; Q89-S92 WeakPolarHBondContact O-CB 3.3Å; Q89-S92 PolarHBondContact O-N 3.47Å; S90-S92 VanDerWaalsContact C-N 3.31Å; S90-S92 PolarHBondContact O-N 3.07Å; S92-S95 PolarHBondContact O-N 2.9Å; S92-E96 WeakPolarHBondContact O-CG 3.41Å; S92-E96 PolarHBondContact O-N 3.41Å; S92-Y122 WeakPolarHBondContact OG-CA 3.28Å; S92-Y122 WeakPolarHBondContact OG-CD2 3.26Å
93A86.9Confident81.4Confident23 Ų2353.5 Ų53.519%0.1929%0.292CS..Hα-helixtrans-62.4-44.3176.100000111.7T32 I35 Q89 S90 S95 E96 L97T32-A93 HydrophobicContact CG2-CB 3.91Å; I35-A93 HydrophobicContact CD1-CB 4.42Å; Q89-A93 PolarHBondContact O-N 3.11Å; S90-A93 PolarHBondContact O-N 2.96Å; A93-S95 VanDerWaalsContact C-N 3.34Å; A93-S95 PolarHBondContact O-N 3.01Å; A93-E96 PolarHBondContact O-N 2.98Å; A93-L97 PolarHBondContact O-N 3.46Å
94Y88.6Confident78.7Confident62 Ų6263 Ų6324%0.24333%0.328CS..Hα-helixtrans-57.7-45.1174.2179.8-109.5000112.4R31 T32 S90 V91 E96 L97 Q98R31-Y94 HydrophobicContact CB-CD2 4.07Å; R31-Y94 HydrophobicContact CB-CE2 3.7Å; T32-Y94 VanDerWaalsContact OG1-CB 3.32Å; T32-Y94 WeakPolarHBondContact OG1-CB 3.38Å; T32-Y94 WeakPolarHBondContact OG1-CD2 3.44Å; S90-Y94 WeakPolarHBondContact O-CB 3.36Å; S90-Y94 PolarHBondContact O-N 3.18Å; V91-Y94 PolarHBondContact O-N 2.96Å; Y94-E96 VanDerWaalsContact C-N 3.33Å; Y94-E96 PolarHBondContact O-N 2.84Å; Y94-L97 WeakPolarHBondContact O-CB 3.24Å; Y94-L97 PolarHBondContact O-N 3.4Å; Y94-Q98 HydrophobicContact CE1-CG 4.1Å; Y94-Q98 HydrophobicContact CE2-CG 4.26Å; Y94-Q98 WeakPolarHBondContact O-CG 3.48Å; Y94-Q98 PolarHBondContact O-N 3.33Å; Y94-Q98 PolarHBondContact OH-NE2 3.16Å
95S84.7Confident76Confident20 Ų2066.8 Ų66.814%0.1435%0.349CS..Hα-helixtrans-65.8-35.8-179.9-62.30000112.3V91 S92 A93 R99V91-S95 VanDerWaalsContact O-CB 3.31Å; V91-S95 WeakPolarHBondContact O-CB 3.37Å; V91-S95 PolarHBondContact O-N 3.48Å; V91-S95 PolarHBondContact O-OG 3.36Å; S92-S95 PolarHBondContact O-N 2.9Å; A93-S95 VanDerWaalsContact C-N 3.34Å; A93-S95 PolarHBondContact O-N 3.01Å; S95-R99 PolarHBondContact O-N 3.45Å
96E83.2Confident73.8Confident48 Ų4873.1 Ų73.122%0.22438%0.378CS..Hα-helixtrans-70.8-37.2174.2-75-68.9150.600112.3S92 A93 Y94 R99 T125S92-E96 WeakPolarHBondContact O-CG 3.41Å; S92-E96 PolarHBondContact O-N 3.41Å; A93-E96 PolarHBondContact O-N 2.98Å; Y94-E96 VanDerWaalsContact C-N 3.33Å; Y94-E96 PolarHBondContact O-N 2.84Å; E96-R99 VanDerWaalsContact CD-CZ 3.45Å; E96-R99 WeakPolarHBondContact O-CB 3.39Å; E96-R99 PolarHBondContact O-N 3.4Å; E96-R99 VanDerWaalsContact O-N 3.12Å; E96-R99 IonicContact OE1-CZ 3.18Å; E96-R99 IonicContact OE1-NE 3.51Å; E96-R99 IonicContact OE1-NH1 2.88Å; E96-R99 PolarHBondContact OE1-NH1 2.88Å; E96-R99 IonicContact OE1-NH2 2.8Å; E96-R99 PolarHBondContact OE1-NH2 3.34Å; E96-R99 IonicContact OE2-CZ 2.97Å; E96-R99 IonicContact OE2-NE 3.75Å; E96-R99 IonicContact OE2-NH1 3.68Å; E96-R99 IonicContact OE2-NH2 3Å; E96-R99 PolarHBondContact OE2-NH2 2.85Å; E96-T125 HydrophobicContact CG-CG2 4.06Å
97L81.5Confident71.3Confident74 Ų7477.1 Ų77.139%0.38741%0.407SS..Hα-helixtrans-61.1-47.1174-176.367000111.4A93 Y94 R99 G100A93-L97 PolarHBondContact O-N 3.46Å; Y94-L97 WeakPolarHBondContact O-CB 3.24Å; Y94-L97 PolarHBondContact O-N 3.4Å; L97-R99 PolarHBondContact O-N 3.47Å; L97-R99 VanDerWaalsContact O-N 3.1Å; L97-G100 PolarHBondContact O-N 2.86Å; L97-G100 VanDerWaalsContact O-N 3.09Å
98Q75.8Confident69.1Low133 Ų13382.7 Ų82.762%0.62143%0.432SS*.Hα-helixtrans-60.6-20.6175.4-73-69.7-1.700113.3Y94 G100Y94-Q98 HydrophobicContact CE1-CG 4.1Å; Y94-Q98 HydrophobicContact CE2-CG 4.26Å; Y94-Q98 WeakPolarHBondContact O-CG 3.48Å; Y94-Q98 PolarHBondContact O-N 3.33Å; Y94-Q98 PolarHBondContact OH-NE2 3.16Å; Q98-G100 VanDerWaalsContact C-N 3.27Å; Q98-G100 PolarHBondContact O-N 3.41Å
99R72.8Confident67.2Low57 Ų5785.7 Ų85.722%0.21544%0.444CS..THydrogen-bonded Turntrans-82.8-1.1179.5-154.7172.272.3-164.3-0.2113.4S95 E96 L97 R101 K132S95-R99 PolarHBondContact O-N 3.45Å; E96-R99 VanDerWaalsContact CD-CZ 3.45Å; E96-R99 WeakPolarHBondContact O-CB 3.39Å; E96-R99 PolarHBondContact O-N 3.4Å; E96-R99 VanDerWaalsContact O-N 3.12Å; E96-R99 IonicContact OE1-CZ 3.18Å; E96-R99 IonicContact OE1-NE 3.51Å; E96-R99 IonicContact OE1-NH1 2.88Å; E96-R99 PolarHBondContact OE1-NH1 2.88Å; E96-R99 IonicContact OE1-NH2 2.8Å; E96-R99 PolarHBondContact OE1-NH2 3.34Å; E96-R99 IonicContact OE2-CZ 2.97Å; E96-R99 IonicContact OE2-NE 3.75Å; E96-R99 IonicContact OE2-NH1 3.68Å; E96-R99 IonicContact OE2-NH2 3Å; E96-R99 PolarHBondContact OE2-NH2 2.85Å; L97-R99 PolarHBondContact O-N 3.47Å; L97-R99 VanDerWaalsContact O-N 3.1Å; R99-R101 VanDerWaalsContact C-N 3.25Å; R99-R101 PolarHBondContact O-N 2.81Å; R99-K132 HydrophobicContact CG-CD 4.15Å; R99-K132 VanDerWaalsContact CG-NZ 3.27Å
100G61.1Low65Low63 Ų6394.3 Ų94.365%0.64948%0.482SS*.THydrogen-bonded Turntrans71.117-179.600000113.9L97 Q98 Q102L97-G100 PolarHBondContact O-N 2.86Å; L97-G100 VanDerWaalsContact O-N 3.09Å; Q98-G100 VanDerWaalsContact C-N 3.27Å; Q98-G100 PolarHBondContact O-N 3.41Å; G100-Q102 PolarHBondContact O-N 3.46Å
101R56.3Low63.4Low149 Ų14996 Ų9656%0.56250%0.499SS*.  trans-81.969.9169.8-91.7-162.5179.7-138.2-2.1109.6R99R99-R101 VanDerWaalsContact C-N 3.25Å; R99-R101 PolarHBondContact O-N 2.81Å
102Q47.3Very low61.9Low177 Ų17797.3 Ų97.383%0.82751%0.509SS*.  trans-93.7106.5165.2-147.9155.74.600106.3G100G100-Q102 PolarHBondContact O-N 3.46Å
103G41.9Very low61Low75 Ų7598.3 Ų98.377%0.77351%0.513SS*.  trans130.732.2176.500000117
104R38.7Very low60.7Low201 Ų201100.8 Ų100.876%0.75853%0.528SS*.SBendtrans-109.5126.1139-79.9-171-177.2-157.5-3.3105.5Q106R104-Q106 PolarHBondContact O-N 3.38Å
105D40.2Very low60.6Low156 Ų156100.7 Ų100.783%0.83454%0.535SS*.  trans-33.5119.5163.1-75.9-40.9000107.5S107D105-S107 PolarHBondContact O-N 2.9Å
106Q46.3Very low60.7Low144 Ų144102.1 Ų102.167%0.67355%0.552SS**  trans-58.494.7167.9-69.7-179.615.400104R104 H108R104-Q106 PolarHBondContact O-N 3.38Å; Q106-H108 VanDerWaalsContact C-N 3.33Å; Q106-H108 PolarHBondContact O-N 2.8Å
107S42.3Very low60.8Low89 Ų89102.3 Ų102.362%0.62255%0.554SS**  trans-57.1109176.944.40000104.1D105 Q109D105-S107 PolarHBondContact O-N 2.9Å; S107-Q109 PolarHBondContact O-N 2.89Å
108H47.9Very low61.1Low152 Ų15299 Ų9970%0.70454%0.537SS*.  trans-57.188.2176-71.4-71.8000106.5Q106 K110Q106-H108 VanDerWaalsContact C-N 3.33Å; Q106-H108 PolarHBondContact O-N 2.8Å; H108-K110 PolarHBondContact O-N 3Å
109Q52.8Low61.8Low107 Ų10795.7 Ų95.750%0.553%0.526SS..  trans-75.483.1177.3-85.6-174-24.900105.7S107 G111S107-Q109 PolarHBondContact O-N 2.89Å; Q109-G111 VanDerWaalsContact C-N 3.26Å; Q109-G111 PolarHBondContact O-N 3.11Å
110K47Very low62.5Low203 Ų203101.2 Ų101.288%0.88355%0.547SS*.  trans-67.487.5166.6-97.1178.1169.61770107.6H108H108-K110 PolarHBondContact O-N 3Å
111G57Low63.7Low35 Ų35101.6 Ų101.636%0.36153%0.534SS..SBendtrans172.4135.1172.600000112.2Q109 L113Q109-G111 VanDerWaalsContact C-N 3.26Å; Q109-G111 PolarHBondContact O-N 3.11Å; G111-L113 PolarHBondContact O-N 2.68Å
112C58.2Low65.3Low61 Ų6197 Ų9741%0.41252%0.517SS..  trans-61.1108.8171.3-171.30000108.8
113L69.4Low67.3Low35 Ų3596 Ų9618%0.18351%0.506CS..  trans-72.6138.3176.5-65.3172.5000108.6G111 L117 V118G111-L113 PolarHBondContact O-N 2.68Å; L113-L117 HydrophobicContact CD2-CD2 3.91Å; L113-V118 HydrophobicContact CB-CG2 3.58Å; L113-V118 HydrophobicContact CD1-CG2 4.21Å
114S82.3Confident69.3Low75 Ų7593.7 Ų93.752%0.52448%0.482SS..  trans-60.8144173.767.10000110.4G116 L117 V118S114-G116 PolarHBondContact O-N 2.92Å; S114-L117 PolarHBondContact O-N 2.99Å; S114-L117 WeakPolarHBondContact OG-CB 3.39Å; S114-L117 PolarHBondContact OG-N 3.49Å; S114-V118 PolarHBondContact O-N 3.06Å
115V86.8Confident71.4Confident61 Ų6184.9 Ų84.937%0.3745%0.451SS..Hα-helixtrans-46.4-48.3177.7170.50000111L85 L117 V118 V119L85-V115 HydrophobicContact CD1-CG2 3.87Å; L85-V115 HydrophobicContact CD2-CB 4.3Å; L85-V115 HydrophobicContact CD2-CG1 4.15Å; L85-V115 HydrophobicContact CD2-CG2 4.24Å; V115-L117 VanDerWaalsContact C-N 3.33Å; V115-L117 PolarHBondContact O-N 3.43Å; V115-V118 PolarHBondContact O-N 2.96Å; V115-V119 WeakPolarHBondContact O-CG2 3.35Å; V115-V119 PolarHBondContact O-N 2.87Å
116G85.7Confident73.6Confident50 Ų5080 Ų8052%0.51542%0.424SS..Hα-helixtrans-62.1-36179.800000113.9S114 R120S114-G116 PolarHBondContact O-N 2.92Å; G116-R120 VanDerWaalsContact O-CB 3.23Å; G116-R120 WeakPolarHBondContact O-CB 3.4Å; G116-R120 PolarHBondContact O-N 3.35Å
117L85.6Confident75.4Confident51 Ų5177.1 Ų77.127%0.26741%0.413SS..Hα-helixtrans-72.4-39177.8-175.458.9000111.8L113 S114 V115 R120 N121L113-L117 HydrophobicContact CD2-CD2 3.91Å; S114-L117 PolarHBondContact O-N 2.99Å; S114-L117 WeakPolarHBondContact OG-CB 3.39Å; S114-L117 PolarHBondContact OG-N 3.49Å; V115-L117 VanDerWaalsContact C-N 3.33Å; V115-L117 PolarHBondContact O-N 3.43Å; L117-R120 PolarHBondContact O-N 3.15Å; L117-N121 WeakPolarHBondContact O-CB 3.47Å; L117-N121 VanDerWaalsContact O-CG 3.22Å; L117-N121 PolarHBondContact O-N 2.87Å
118V88.3Confident77.2Confident4 Ų478.8 Ų78.82%0.02441%0.409CS..Hα-helixtrans-60.6-50.5174.8174.20000110.7L85 L88 Q89 L113 S114 V115 R120 N121 Y122L85-V118 HydrophobicContact CD2-CB 3.97Å; L85-V118 HydrophobicContact CD2-CG1 3.89Å; L85-V118 HydrophobicContact CD2-CG2 4.41Å; L88-V118 HydrophobicContact CB-CG1 4.2Å; Q89-V118 HydrophobicContact CG-CG1 3.63Å; Q89-V118 HydrophobicContact CG-CG2 4.33Å; L113-V118 HydrophobicContact CB-CG2 3.58Å; L113-V118 HydrophobicContact CD1-CG2 4.21Å; S114-V118 PolarHBondContact O-N 3.06Å; V115-V118 PolarHBondContact O-N 2.96Å; V118-R120 PolarHBondContact O-N 3.46Å; V118-N121 PolarHBondContact O-N 2.96Å; V118-Y122 PolarHBondContact O-N 2.92Å
119V89.9Confident78.5Confident65 Ų6573.4 Ų73.439%0.39439%0.388SS..Hα-helixtrans-62.9-43.8179.4175.20000111.1L88 V115 N121 Y122 W123L88-V119 HydrophobicContact CD1-CG2 4.01Å; V115-V119 WeakPolarHBondContact O-CG2 3.35Å; V115-V119 PolarHBondContact O-N 2.87Å; V119-N121 PolarHBondContact O-N 3.02Å; V119-Y122 PolarHBondContact O-N 3.31Å; V119-W123 WeakPolarHBondContact O-CB 3.46Å; V119-W123 PolarHBondContact O-N 3.5Å
120R88.3Confident79.7Confident173 Ų17372.3 Ų72.365%0.65339%0.389SS*.Hα-helixtrans-61.7-42.3176.9-172.1-179.272.4168.61.6112G116 L117 V118 G124G116-R120 VanDerWaalsContact O-CB 3.23Å; G116-R120 WeakPolarHBondContact O-CB 3.4Å; G116-R120 PolarHBondContact O-N 3.35Å; L117-R120 PolarHBondContact O-N 3.15Å; V118-R120 PolarHBondContact O-N 3.46Å; R120-G124 PolarHBondContact O-N 3.21Å
121N85.2Confident80.8Confident70 Ų7066.9 Ų66.937%0.37437%0.369SS..Hα-helixtrans-65.5-44177.5-76.7-5.3000111.4L117 V118 V119 G124 T125L117-N121 WeakPolarHBondContact O-CB 3.47Å; L117-N121 VanDerWaalsContact O-CG 3.22Å; L117-N121 PolarHBondContact O-N 2.87Å; V118-N121 PolarHBondContact O-N 2.96Å; V119-N121 PolarHBondContact O-N 3.02Å; N121-G124 PolarHBondContact O-N 3.36Å; N121-T125 WeakPolarHBondContact O-CB 3.26Å; N121-T125 PolarHBondContact O-N 3.22Å; N121-T125 PolarHBondContact O-OG1 2.96Å
122Y89.6Confident81.1Confident52 Ų5270.6 Ų70.620%0.20438%0.376CS..Hα-helixtrans-58.3-52.3174.5170-100.7000111.5L88 V91 S92 V118 V119 G124 T125 L126L88-Y122 HydrophobicContact CB-CD2 4.41Å; L88-Y122 HydrophobicContact CB-CG 4.34Å; L88-Y122 HydrophobicContact CD2-CD1 3.73Å; L88-Y122 HydrophobicContact CD2-CD2 3.99Å; L88-Y122 HydrophobicContact CD2-CE1 3.81Å; L88-Y122 HydrophobicContact CD2-CE2 4.07Å; L88-Y122 HydrophobicContact CD2-CG 3.82Å; V91-Y122 HydrophobicContact CB-CE2 4.05Å; V91-Y122 HydrophobicContact CG1-CE2 3.72Å; S92-Y122 WeakPolarHBondContact OG-CA 3.28Å; S92-Y122 WeakPolarHBondContact OG-CD2 3.26Å; V118-Y122 PolarHBondContact O-N 2.92Å; V119-Y122 PolarHBondContact O-N 3.31Å; Y122-G124 VanDerWaalsContact C-N 3.31Å; Y122-G124 PolarHBondContact O-N 3.44Å; Y122-T125 PolarHBondContact O-N 3.45Å; Y122-T125 VanDerWaalsContact O-N 3.13Å; Y122-L126 HydrophobicContact CE1-CD2 4.22Å; Y122-L126 WeakPolarHBondContact O-CB 3.45Å; Y122-L126 PolarHBondContact O-N 3.23Å
123W89.1Confident81Confident156 Ų15675.7 Ų75.759%0.59139%0.391SS*.Hα-helixtrans-62-40.3-179.7-162-100.7000112V119 T125 L126 L127V119-W123 WeakPolarHBondContact O-CB 3.46Å; V119-W123 PolarHBondContact O-N 3.5Å; W123-T125 PolarHBondContact O-N 2.95Å; W123-L126 HydrophobicContact CE3-CD2 4.23Å; W123-L126 HydrophobicContact CZ3-CD2 4.22Å; W123-L126 PolarHBondContact O-N 3.42Å; W123-L127 WeakPolarHBondContact O-CB 3.45Å; W123-L127 PolarHBondContact O-N 3.45Å
124G84.5Confident80Confident27 Ų2780.4 Ų80.428%0.27841%0.412SS..Hα-helixtrans-63.3-37.9174.800000113.2R120 N121 Y122 K128R120-G124 PolarHBondContact O-N 3.21Å; N121-G124 PolarHBondContact O-N 3.36Å; Y122-G124 VanDerWaalsContact C-N 3.31Å; Y122-G124 PolarHBondContact O-N 3.44Å; G124-K128 WeakPolarHBondContact O-CD 3.37Å; G124-K128 WeakPolarHBondContact O-CG 3.25Å; G124-K128 PolarHBondContact O-N 2.84Å
125T84.3Confident78.3Confident16 Ų1682.3 Ų82.310%0.09842%0.416CS..Hα-helixtrans-69.9-42.5174.4-60.40000111.2E96 N121 Y122 W123 K128 C129E96-T125 HydrophobicContact CG-CG2 4.06Å; N121-T125 WeakPolarHBondContact O-CB 3.26Å; N121-T125 PolarHBondContact O-N 3.22Å; N121-T125 PolarHBondContact O-OG1 2.96Å; Y122-T125 PolarHBondContact O-N 3.45Å; Y122-T125 VanDerWaalsContact O-N 3.13Å; W123-T125 PolarHBondContact O-N 2.95Å; T125-K128 PolarHBondContact O-N 3.44Å; T125-C129 PolarHBondContact O-N 2.96Å; T125-C129 PolarHBondContact O-SG 3.45Å
126L85.3Confident76.5Confident53 Ų5387.4 Ų87.428%0.27743%0.434SS..Hα-helixtrans-61.2-48177.6-172.868000111.6Y122 W123 K128 C129 V130Y122-L126 HydrophobicContact CE1-CD2 4.22Å; Y122-L126 WeakPolarHBondContact O-CB 3.45Å; Y122-L126 PolarHBondContact O-N 3.23Å; W123-L126 HydrophobicContact CE3-CD2 4.23Å; W123-L126 HydrophobicContact CZ3-CD2 4.22Å; W123-L126 PolarHBondContact O-N 3.42Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.46Å; L126-C129 WeakPolarHBondContact O-CB 3.41Å; L126-C129 PolarHBondContact O-N 2.96Å; L126-V130 WeakPolarHBondContact O-CG2 3.39Å; L126-V130 PolarHBondContact O-N 3.27Å
127L83.8Confident74.4Confident85 Ų8593.5 Ų93.545%0.44545%0.446SS..Hα-helixtrans-58-41.7176.4-122.276.1000111.7W123 C129 V130 N131W123-L127 WeakPolarHBondContact O-CB 3.45Å; W123-L127 PolarHBondContact O-N 3.45Å; L127-C129 VanDerWaalsContact C-N 3.32Å; L127-C129 PolarHBondContact O-N 3.22Å; L127-V130 PolarHBondContact O-N 3.32Å; L127-N131 WeakPolarHBondContact O-CB 3.41Å; L127-N131 VanDerWaalsContact O-CG 3.23Å; L127-N131 PolarHBondContact O-N 3.45Å; L127-N131 PolarHBondContact O-OD1 2.96Å
128K80.9Confident72.3Confident123 Ų12398 Ų9854%0.53547%0.47SS..Hα-helixtrans-65-34.6176.4-71.1167.7-171171.70112.3G124 T125 L126 K132G124-K128 WeakPolarHBondContact O-CD 3.37Å; G124-K128 WeakPolarHBondContact O-CG 3.25Å; G124-K128 PolarHBondContact O-N 2.84Å; T125-K128 PolarHBondContact O-N 3.44Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.46Å; K128-K132 PolarHBondContact O-N 2.89Å
129C75.4Confident70.3Confident39 Ų39104.6 Ų104.626%0.26450%0.504SS..Hα-helixtrans-72.7-37.2175.2-73.30000112.5T125 L126 L127 K133T125-C129 PolarHBondContact O-N 2.96Å; T125-C129 PolarHBondContact O-SG 3.45Å; L126-C129 WeakPolarHBondContact O-CB 3.41Å; L126-C129 PolarHBondContact O-N 2.96Å; L127-C129 VanDerWaalsContact C-N 3.32Å; L127-C129 PolarHBondContact O-N 3.22Å; C129-K133 PolarHBondContact O-N 2.9Å
130V76.6Confident67.9Low84 Ų84110.5 Ų110.551%0.50952%0.524SS..Hα-helixtrans-66.2-48.2176173.60000110.9L126 L127 K132 K133L126-V130 WeakPolarHBondContact O-CG2 3.39Å; L126-V130 PolarHBondContact O-N 3.27Å; L127-V130 PolarHBondContact O-N 3.32Å; V130-K132 PolarHBondContact O-N 2.91Å; V130-K133 WeakPolarHBondContact O-CB 3.5Å; V130-K133 PolarHBondContact O-N 3.4Å
131N70.8Confident65.6Low89 Ų89111 Ų11148%0.47653%0.534SS..Hα-helixtrans-63.9-27-179.4-66.6-3.5000112.9L127 K133L127-N131 WeakPolarHBondContact O-CB 3.41Å; L127-N131 VanDerWaalsContact O-CG 3.23Å; L127-N131 PolarHBondContact O-N 3.45Å; L127-N131 PolarHBondContact O-OD1 2.96Å; N131-K133 VanDerWaalsContact C-N 3.35Å
132K62.8Low63.2Low113 Ų113113.7 Ų113.749%0.49155%0.553SS.*Hα-helixtrans-71.9-26.1172.8-104.2-172.4173.6-165.80113.4R99 K128 V130 E134 N135 F136R99-K132 HydrophobicContact CG-CD 4.15Å; R99-K132 VanDerWaalsContact CG-NZ 3.27Å; K128-K132 PolarHBondContact O-N 2.89Å; V130-K132 PolarHBondContact O-N 2.91Å; K132-E134 VanDerWaalsContact C-N 3.34Å; K132-N135 PolarHBondContact O-N 2.9Å; K132-F136 PolarHBondContact O-N 3.41Å
133K56.8Low60.4Low168 Ų168120.5 Ų120.573%0.7358%0.584SS**Hα-helixtrans-76.5-22.7-179.5-135175.5-175.5177.60112.1C129 V130 N131C129-K133 PolarHBondContact O-N 2.9Å; V130-K133 WeakPolarHBondContact O-CB 3.5Å; V130-K133 PolarHBondContact O-N 3.4Å; N131-K133 VanDerWaalsContact C-N 3.35Å
134E48.1Very low57.8Low134 Ų134119.8 Ų119.863%0.62660%0.597SS**Hα-helixtrans-71.9-44.4168.3-95.7178.7154.300112.1K132 F136 K137K132-E134 VanDerWaalsContact C-N 3.34Å; E134-F136 PolarHBondContact O-N 2.94Å; E134-F136 VanDerWaalsContact O-N 3.09Å; E134-K137 PolarHBondContact O-N 3.38Å
135N47.2Very low55.2Low115 Ų115128.2 Ų128.262%0.61563%0.626SS**THydrogen-bonded Turntrans-66.1-13.5178-73.5-5.8000114.6K132K132-N135 PolarHBondContact O-N 2.9Å
136F47.6Very low52.8Low169 Ų169133.6 Ų133.674%0.74166%0.659SS**THydrogen-bonded Turntrans-86.3-14173.4-112.2-90.3000113.6K132 E134K132-F136 PolarHBondContact O-N 3.41Å; E134-F136 PolarHBondContact O-N 2.94Å; E134-F136 VanDerWaalsContact O-N 3.09Å
137K43.4Very low50Low177 Ų177138.8 Ų138.877%0.7769%0.686SS**THydrogen-bonded Turntrans-85.1-25.2177.1-76-175.9175.7-179.60113E134E134-K137 PolarHBondContact O-N 3.38Å
138D41Very low47.3Very low146 Ų146142.6 Ų142.678%0.78170%0.701SS**THydrogen-bonded Turntrans-86.71.3-179-81.8-19.4000115.7
139I46.3Very low44.8Very low142 Ų142146.8 Ų146.873%0.72872%0.715SS**THydrogen-bonded Turntrans-102.52.6179.4-62.1173000112.5
140K38.8Very low42.6Very low190 Ų190149.5 Ų149.583%0.82674%0.735SS**SBendtrans-101.824.5179.1-75.7-168.1178-176.50115.3
141Q39.6Very low40.4Very low182 Ų182154.6 Ų154.685%0.8575%0.75SS**  trans-128.268.1167.8-78.2-170.60.500111.9
142T34.7Very low38.3Very low128 Ų128155.1 Ų155.179%0.78576%0.756SS**SBendtrans-160.9128.1146.3-7.90000112.1
143K31.8Very low36.5Very low195 Ų195157.8 Ų157.885%0.84877%0.771SS**  trans8490.9159.2-62179.9179.71740118.5
144T34.7Very low35.1Very low140 Ų140154.1 Ų154.186%0.85977%0.766SS**  trans-50.5126.6136.8220000111.9
145K30.4Very low34.1Very low204 Ų204157.5 Ų157.589%0.88778%0.775SS**  trans-170.3112140.1-107.2172.2-177.3-177.90111
146T31.8Very low33.3Very low129 Ų129157.3 Ų157.379%0.79178%0.778SS**  trans4.2127.9149.5-34.40000119.4
147L26.5Very low32.3Very low162 Ų162154.1 Ų154.185%0.84878%0.776SS**  trans-171.1112.1132.1-146.261.4000109.1
148H28.4Very low31.4Very low166 Ų166151.4 Ų151.477%0.76978%0.779SS**  60.6117.983.1-138.3-76.5000115
149Y28.5Very low31.2Very low210 Ų210149.8 Ų149.882%0.82478%0.777SS**  trans-60.7131.9170.6-180-95.7000111.5
150S29.7Very low30.3Very low97 Ų97148.6 Ų148.668%0.67878%0.776SS**  164.3132.612340.30000114.2
151K28.8Very low29.9Very low191 Ų191144.4 Ų144.483%0.8377%0.771SS**  trans38.1133.2136.2-134.5-174.1177.1174.70122.7
152T26.6Very low29.9Very low99 Ų99141.8 Ų141.861%0.60777%0.77SS**  trans88.1122.2141.55.90000121.2
153E26.6Very low29.6Very low169 Ų169139 Ų13979%0.7977%0.767SS**  trans72.1112.5136.1-86169.2-151.200123.4
154S26.9Very low30Very low91 Ų91134.9 Ų134.964%0.63676%0.76SS**  51.5116.9126.173.70000122.1
155Y26.7Very low29.8Very low205 Ų205136 Ų13680%0.80476%0.755SS**  169.8117.5104.4-111.1-104.3000109.6
156V30Very low29.7Very low112 Ų112133.8 Ų133.868%0.67975%0.752SS**  65118.1104.4-173.90000113
157S27.1Very low29.5Very low101 Ų101134.4 Ų134.471%0.70676%0.76SS**  -177.2151.270.9-51.60000111.9
158S24.5Very low29.6Very low120 Ų120137.1 Ų137.184%0.83976%0.759SS**  trans-155.3151.9137.3-80.50000109.8
159P37.6Very low29.7Very low112 Ų112135.8 Ų135.873%0.72776%0.758SS**  trans-126.7177.7-135.833.1-14000115.6
160T27.7Very low29.6Very low117 Ų117130.1 Ų130.172%0.71875%0.748SS**  trans84.896.5149.7-90000115.8
161S29.1Very low29.5Very low102 Ų102131 Ų13171%0.71375%0.754SS**  72.4161.374.494.40000113.4
162P40.7Very low29.5Very low127 Ų127126.8 Ų126.883%0.82575%0.748SS**  cis-138.5169.715.139-19.2000117
163G27.8Very low29.6Very low71 Ų71125.9 Ų125.973%0.73275%0.751SS**  trans142.3137.215200000115.7
164P40.6Very low29.6Very low107 Ų107124.2 Ų124.270%0.69575%0.747SS**  -136.1171.5-126.944-27.1000117.7
165H29.6Very low29.6Very low163 Ų163129.4 Ų129.476%0.75576%0.758SS**  trans63.3101.9157.5-57.7-57.9000119
166L29Very low29.6Very low159 Ų159124.5 Ų124.583%0.83275%0.754SS**  64.995.389.1-81.2162.9000114.7
167C28.3Very low30.5Very low141 Ų141124.4 Ų124.495%0.95376%0.755SS**  trans-94.2115.5153.9-103.40000109.8
168R26.8Very low30.5Very low219 Ų219126.3 Ų126.383%0.82676%0.763SS**  trans-100.1162.8166.4-172-176.8-171.51791.8106.7
169N30.7Very low31Very low139 Ų139125.6 Ų125.674%0.74376%0.758SS**  trans101.2142.8170.6-59-4.7000113.4
170C26.8Very low31Very low91 Ų91125.8 Ų125.862%0.61576%0.76SS**  cis-166.3153.8-2.9-104.80000104.8
171S27.6Very low31.3Very low116 Ų116128.7 Ų128.781%0.81177%0.765SS**  -154.6121.375.2-68.10000112.7
172S28.3Very low31.2Very low101 Ų101132.3 Ų132.371%0.70677%0.768SS**  -8150.8126.4-21.70000115.5
173A28.4Very low30.9Very low80 Ų80131.5 Ų131.566%0.66177%0.765SS**  cis-171.9146.333.700000111.6
174L27.1Very low31Very low134 Ų134135.9 Ų135.970%0.70277%0.767SS**  trans49.7125.2132.3-68.1150.3000119.5
175F26.9Very low30.6Very low200 Ų200142 Ų14288%0.87778%0.776SS**  -165.5140.286.1-82.1-73.1000110.9
176S27.8Very low30.6Very low103 Ų103139.5 Ų139.572%0.7278%0.777SS**  trans-85.7-158.5171-56.50000110.3
177P47.8Very low31Very low109 Ų109135 Ų13571%0.70877%0.769SS**  -121.1168.3-83.335.9-20000111.2
178T28.3Very low31.5Very low142 Ų142133.6 Ų133.687%0.87176%0.758SS**  trans-171.9124.1143.66.30000112.9
179S33Very low31.5Very low104 Ų104128.8 Ų128.873%0.72775%0.753SS**  trans-73.2153.8142.8-165.70000107.2
180P39.5Very low31.5Very low117 Ų117129.6 Ų129.676%0.7675%0.752SS**  -152.7169.381.334.9-12.3000116.9
181Q33.1Very low31.4Very low178 Ų178130 Ų13083%0.83276%0.755SS**  trans-42.7156.1161-64.5169.2-54.700115.5
182K27Very low31.9Very low177 Ų177128.6 Ų128.677%0.7775%0.751SS**  trans172.9118131.5-95.3171.7-177.7-161.20106.3
183S34.9Very low32.3Very low111 Ų111129.2 Ų129.278%0.77675%0.753SS**  3298.264.2178.10000113.1
184E28.4Very low32.2Very low162 Ų162133.6 Ų133.676%0.75776%0.757SS**  trans-156.8121.4137.8-111.3158.3-146.800111.7
185R33.4Very low32.4Very low235 Ų235136 Ų13689%0.88776%0.758SS**  trans-65.3135.2162.1171.7-170.4-168.7-163.44.2108.9
186S29.2Very low32.4Very low112 Ų112132.4 Ų132.478%0.78376%0.758SS**  trans-159.3115.7151.7-45.90000110.2
187G36.7Very low32.8Very low64 Ų64136.7 Ų136.766%0.6676%0.763SS**  trans-69176.4146.400000109.2
188P39.4Very low31.9Very low111 Ų111135.9 Ų135.972%0.72177%0.766SS**  -138.9146.794.411.812000113.5
189V27Very low32Very low119 Ų119138 Ų13872%0.72176%0.763SS**  72.2141.679.1-166.40000112.8
190H30.6Very low31.9Very low156 Ų156141.5 Ų141.572%0.72277%0.768SS**  trans115.392.8154.4-65.4-66.2000113.6
191S25.8Very low31.5Very low98 Ų98144 Ų14469%0.68577%0.769SS**  87.7117.572.462.80000112.2
192A37.6Very low31.8Very low87 Ų87143 Ų14372%0.71977%0.769SS**  trans-46.6154.916200000111.8
193P36.9Very low32.2Very low115 Ų115140.6 Ų140.675%0.74777%0.77SS**  -140.4133110.113.99.7000113.8
194F25.4Very low32.3Very low172 Ų172139.2 Ų139.275%0.75477%0.765SS**  79.711292.3-88.7-107.5000115.3
195Y31.8Very low32.8Very low185 Ų185137.1 Ų137.173%0.72577%0.767SS**  trans56.9126.9135.9-73.6-104.3000120.4
196S26.9Very low33Very low124 Ų124134 Ų13487%0.86776%0.762SS**  -129.2113.5129.4-81.40000110.2A198S196-A198 PolarHBondContact O-N 3.33Å
197K35.2Very low33.5Very low192 Ų192136.4 Ų136.484%0.83576%0.763SS**  trans-50.2125.7162.1-77.2168.6169.9172.60109.5
198A29.4Very low34Very low93 Ų93139.9 Ų139.977%0.76977%0.772SS**  trans-129.492.8151.700000106.2S196S196-A198 PolarHBondContact O-N 3.33Å
199K31.2Very low34.4Very low186 Ų186142.9 Ų142.981%0.80978%0.776SS**  63.2102.4110.2-86.2-175.3177.2178.50112.3H201K199-H201 PolarHBondContact O-N 3.41Å
200H30Very low35.3Very low177 Ų177140.5 Ų140.582%0.81977%0.765SS**  trans-39.2116.4156.7-65.3-88.4000111.2
201H32.8Very low36.2Very low170 Ų170137.8 Ų137.879%0.78776%0.763SS**  trans-106.595.8137.7-75.4-66000106.6K199 T203K199-H201 PolarHBondContact O-N 3.41Å; H201-T203 PolarHBondContact O-N 2.95Å; H201-T203 VanDerWaalsContact O-N 3.12Å
202N38.6Very low37.6Very low157 Ų157139.3 Ų139.384%0.8476%0.763SS**  trans-59.2107.2156.2-116.4-2.4000106
203T35.6Very low38.6Very low127 Ų127141.3 Ų141.378%0.77976%0.76SS**  trans-104.6109.1162.3-38.60000105.4H201H201-T203 PolarHBondContact O-N 2.95Å; H201-T203 VanDerWaalsContact O-N 3.12Å
204A37.2Very low39.7Very low82 Ų82137.7 Ų137.768%0.67874%0.737SS**  trans-60.7153.3174.300000110.7
205C38.1Very low42.1Very low118 Ų118133.2 Ų133.280%0.79773%0.726SS**  trans68.7109.1166.6-57.10000115.7
206Q38.8Very low44.3Very low170 Ų170130.3 Ų130.379%0.79472%0.723SS**  -159144.6126.4-105.3157.128.300111.3
207M39.1Very low46.7Very low161 Ų161127.5 Ų127.579%0.79371%0.707SS**  trans-64.8170.2-168-63-179.3-89.400112E209 S210M207-E209 PolarHBondContact O-N 3.29Å; M207-S210 PolarHBondContact O-N 2.99Å; M207-S210 PolarHBondContact O-OG 3.47Å
208T47.8Very low48.8Very low137 Ų137121.2 Ų121.284%0.8469%0.687SS**THydrogen-bonded Turntrans-48.97.2-177.429.10000118.2
209E47.1Very low51.2Low174 Ų174120.7 Ų120.781%0.81367%0.668SS**THydrogen-bonded Turntrans-105.4-10-177.4-64.5-173.1164.100114.5M207M207-E209 PolarHBondContact O-N 3.29Å
210S46.5Very low53.6Low70 Ų70120.4 Ų120.449%0.4966%0.662SS.*SBendtrans-94.38.8178.149.30000114.9M207 L212M207-S210 PolarHBondContact O-N 2.99Å; M207-S210 PolarHBondContact O-OG 3.47Å; S210-L212 VanDerWaalsContact C-N 3.3Å; S210-L212 PolarHBondContact O-N 3.48Å
211S47.9Very low56.1Low98 Ų98116.3 Ų116.369%0.68565%0.649SS**THydrogen-bonded Turntrans-80.5-1.4-178.262.80000115.1
212L55.3Low58.6Low130 Ų130109 Ų10968%0.68162%0.615SS**THydrogen-bonded Turntrans-105.56.4-170.3-64.3171000114.4S210 Q260S210-L212 VanDerWaalsContact C-N 3.3Å; S210-L212 PolarHBondContact O-N 3.48Å; L212-Q260 PolarHBondContact O-OE1 3.33Å
213I58.4Low60.7Low130 Ų130104.2 Ų104.267%0.66759%0.594SS**SBendtrans-128.5124.2-177.6-54175.9000110.6
214P60.7Low63Low39 Ų39103.6 Ų103.625%0.25359%0.586SS.*  trans-62.7145.8176.1-14.525.2000111.5C218 Q260P214-C218 HydrophobicContact CB-CB 3.93Å; P214-Q260 HydrophobicContact CG-CB 4.08Å; P214-Q260 HydrophobicContact CG-CG 3.86Å
215C76.8Confident65.3Low78 Ų78101 Ų10153%0.52756%0.56SS.*  trans-66.6158.517274.20000111.6A217 C218 H219C215-A217 PolarHBondContact O-N 2.85Å; C215-A217 VanDerWaalsContact O-N 3.1Å; C215-C218 WeakPolarHBondContact O-CA 3.28Å; C215-C218 WeakPolarHBondContact O-CB 3.37Å; C215-C218 PolarHBondContact O-N 2.83Å; C215-H219 PolarHBondContact O-N 3.23Å
216D76.3Confident67.5Low124 Ų12498.8 Ų98.866%0.66354%0.535SS*.Hα-helixtrans-52.5-36.2-176.9-109.18.4000114.2H219 R220D216-H219 PolarHBondContact O-N 2.85Å; D216-R220 VanDerWaalsContact O-CG 3.32Å; D216-R220 WeakPolarHBondContact O-CG 3.31Å; D216-R220 PolarHBondContact O-N 3.45Å
217A78.1Confident69.7Low64 Ų6494.1 Ų94.153%0.52952%0.522SS..Hα-helixtrans-66.2-43.317600000111.7C215 R220 V221C215-A217 PolarHBondContact O-N 2.85Å; C215-A217 VanDerWaalsContact O-N 3.1Å; A217-R220 PolarHBondContact O-N 3.34Å; A217-V221 WeakPolarHBondContact O-CG2 3.42Å; A217-V221 PolarHBondContact O-N 3.29Å
218C79.3Confident72.1Confident61 Ų6189.6 Ų89.641%0.41250%0.503SS..Hα-helixtrans-64.8-42.1175.7-69.30000111.3P214 C215 R220 V221 Q222P214-C218 HydrophobicContact CB-CB 3.93Å; C215-C218 WeakPolarHBondContact O-CA 3.28Å; C215-C218 WeakPolarHBondContact O-CB 3.37Å; C215-C218 PolarHBondContact O-N 2.83Å; C218-R220 PolarHBondContact O-N 3.46Å; C218-V221 PolarHBondContact O-N 3.19Å; C218-Q222 WeakPolarHBondContact O-CB 3.47Å; C218-Q222 VanDerWaalsContact O-CG 3.25Å; C218-Q222 WeakPolarHBondContact O-CG 3.37Å; C218-Q222 PolarHBondContact O-N 3.44Å
219H79.1Confident74Confident81 Ų8183.1 Ų83.138%0.37546%0.463SS..Hα-helixtrans-60.3-44.8175.5-178.9-85.1000111.8C215 D216 V221 Q222 S223C215-H219 PolarHBondContact O-N 3.23Å; D216-H219 PolarHBondContact O-N 2.85Å; H219-V221 PolarHBondContact O-N 3.04Å; H219-Q222 PolarHBondContact O-N 2.96Å; H219-S223 WeakPolarHBondContact O-CB 3.36Å; H219-S223 PolarHBondContact O-N 3.47Å
220R81.5Confident75.9Confident181 Ų18178.1 Ų78.168%0.68344%0.442SS*.Hα-helixtrans-62-42.5176.2-74.3174.1-177.7-94-0.2112.6D216 A217 C218 S223 L224D216-R220 VanDerWaalsContact O-CG 3.32Å; D216-R220 WeakPolarHBondContact O-CG 3.31Å; D216-R220 PolarHBondContact O-N 3.45Å; A217-R220 PolarHBondContact O-N 3.34Å; C218-R220 PolarHBondContact O-N 3.46Å; R220-S223 PolarHBondContact O-N 2.77Å; R220-L224 WeakPolarHBondContact O-CB 3.47Å; R220-L224 PolarHBondContact O-N 2.92Å
221V83.3Confident78Confident91 Ų9177.6 Ų77.655%0.55244%0.442SS*.Hα-helixtrans-64.3-43.2176.2171.80000111A217 C218 H219 L224 L225A217-V221 WeakPolarHBondContact O-CG2 3.42Å; A217-V221 PolarHBondContact O-N 3.29Å; C218-V221 PolarHBondContact O-N 3.19Å; H219-V221 PolarHBondContact O-N 3.04Å; V221-L224 PolarHBondContact O-N 3.49Å; V221-L225 VanDerWaalsContact O-CB 3.28Å; V221-L225 WeakPolarHBondContact O-CB 3.38Å; V221-L225 PolarHBondContact O-N 3.26Å
222Q84.4Confident80.1Confident15 Ų1573.6 Ų73.67%0.0741%0.413CS..Hα-helixtrans-64.1-41.1176.2-71.2-179.215.800112.3C218 H219 L225 R226 M261 V266C218-Q222 WeakPolarHBondContact O-CB 3.47Å; C218-Q222 VanDerWaalsContact O-CG 3.25Å; C218-Q222 WeakPolarHBondContact O-CG 3.37Å; C218-Q222 PolarHBondContact O-N 3.44Å; H219-Q222 PolarHBondContact O-N 2.96Å; Q222-L225 PolarHBondContact O-N 3.35Å; Q222-R226 WeakPolarHBondContact O-CG 3.37Å; Q222-R226 PolarHBondContact O-N 3.4Å; Q222-M261 HydrophobicContact CB-SD 4.33Å; Q222-M261 HydrophobicContact CG-CB 4.25Å; Q222-M261 HydrophobicContact CG-SD 4.43Å; Q222-M261 PolarHBondContact NE2-O 3.4Å; Q222-V266 HydrophobicContact CG-CG2 3.83Å
223S82.5Confident81.7Confident57 Ų5768 Ų6840%0.39938%0.384SS..Hα-helixtrans-63.7-43.2175.6-173.20000111.8H219 R220 L225 R226 S227H219-S223 WeakPolarHBondContact O-CB 3.36Å; H219-S223 PolarHBondContact O-N 3.47Å; R220-S223 PolarHBondContact O-N 2.77Å; S223-L225 VanDerWaalsContact C-N 3.34Å; S223-R226 PolarHBondContact O-N 2.71Å; S223-S227 WeakPolarHBondContact O-CB 3.34Å; S223-S227 PolarHBondContact O-N 3.32Å
224L85.1Confident83.2Confident114 Ų11466.7 Ų66.760%0.59738%0.378SS*.Hα-helixtrans-63.4-43.1176-179.462.9000110.7R220 V221 R226 S227 T228R220-L224 WeakPolarHBondContact O-CB 3.47Å; R220-L224 PolarHBondContact O-N 2.92Å; V221-L224 PolarHBondContact O-N 3.49Å; L224-R226 PolarHBondContact O-N 3.33Å; L224-S227 PolarHBondContact O-N 3.38Å; L224-T228 HydrophobicContact CD1-CG2 4.12Å; L224-T228 HydrophobicContact CG-CG2 4.39Å; L224-T228 WeakPolarHBondContact O-CG2 3.36Å; L224-T228 PolarHBondContact O-N 3.15Å; L224-T228 PolarHBondContact O-OG1 2.89Å; L224-T228 VanDerWaalsContact O-OG1 3.08Å
225L85.6Confident84.7Confident27 Ų2768.1 Ų68.114%0.14138%0.383CS..Hα-helixtrans-62.3-40.6178.8-167.874.6000112V221 Q222 S223 T228 G229 M261 V266 W269 Q273V221-L225 VanDerWaalsContact O-CB 3.28Å; V221-L225 WeakPolarHBondContact O-CB 3.38Å; V221-L225 PolarHBondContact O-N 3.26Å; Q222-L225 PolarHBondContact O-N 3.35Å; S223-L225 VanDerWaalsContact C-N 3.34Å; L225-T228 PolarHBondContact O-OG1 3.4Å; L225-T228 VanDerWaalsContact O-OG1 3.1Å; L225-G229 PolarHBondContact O-N 3.01Å; L225-M261 HydrophobicContact CD2-CE 4.45Å; L225-V266 HydrophobicContact CD2-CG1 3.96Å; L225-W269 HydrophobicContact CD2-CB 4.13Å; L225-W269 HydrophobicContact CD2-CG 4.04Å; L225-W269 VanDerWaalsContact CG-CD1 3.41Å; L225-W269 HydrophobicContact CG-CG 4.28Å; L225-W269 PolarHBondContact O-NE1 2.88Å; L225-Q273 PolarHBondContact O-NE2 3.47Å
226R84.4Confident85.4Confident72 Ų7264.6 Ų64.627%0.27236%0.359SS..Hα-helixtrans-65.4-48173.3-70.9-176-142.7135.36111.4Q222 S223 L224 T228 G229 D230 M261 W269Q222-R226 WeakPolarHBondContact O-CG 3.37Å; Q222-R226 PolarHBondContact O-N 3.4Å; S223-R226 PolarHBondContact O-N 2.71Å; L224-R226 PolarHBondContact O-N 3.33Å; R226-T228 PolarHBondContact O-N 2.92Å; R226-G229 CarbonylContact O-C 3.55Å; R226-G229 WeakPolarHBondContact O-CA 3.44Å; R226-G229 PolarHBondContact O-N 2.83Å; R226-D230 PolarHBondContact O-N 2.94Å; R226-M261 HydrophobicContact CG-SD 4.13Å; R226-W269 HydrophobicContact CB-CZ2 4.44Å; R226-W269 HydrophobicContact CG-CH2 4.49Å; R226-W269 HydrophobicContact CG-CZ2 4.34Å
227S85.3Confident86.1Confident73 Ų7364.3 Ų64.351%0.5135%0.353SS..Hα-helixtrans-60.4-42.5-179.8176.80000112.9S223 L224 G229 A231S223-S227 WeakPolarHBondContact O-CB 3.34Å; S223-S227 PolarHBondContact O-N 3.32Å; L224-S227 PolarHBondContact O-N 3.38Å; S227-G229 VanDerWaalsContact C-N 3.26Å; S227-G229 PolarHBondContact O-N 2.84Å; S227-A231 PolarHBondContact O-N 2.91Å; S227-A231 VanDerWaalsContact O-N 3.11Å
228T89Confident86.7Confident66 Ų6665.3 Ų65.341%0.40536%0.357SS..Hα-helixtrans-69.3-28174.956.30000112.1L224 L225 R226 L232 Q273L224-T228 HydrophobicContact CD1-CG2 4.12Å; L224-T228 HydrophobicContact CG-CG2 4.39Å; L224-T228 WeakPolarHBondContact O-CG2 3.36Å; L224-T228 PolarHBondContact O-N 3.15Å; L224-T228 PolarHBondContact O-OG1 2.89Å; L224-T228 VanDerWaalsContact O-OG1 3.08Å; L225-T228 PolarHBondContact O-OG1 3.4Å; L225-T228 VanDerWaalsContact O-OG1 3.1Å; R226-T228 PolarHBondContact O-N 2.92Å; T228-L232 WeakPolarHBondContact O-CB 3.39Å; T228-L232 PolarHBondContact O-N 2.83Å; T228-L232 VanDerWaalsContact O-N 3.15Å; T228-Q273 PolarHBondContact OG1-NE2 2.86Å
229G87.7Confident87.2Confident0 Ų067.5 Ų67.50%036%0.361CS..Hα-helixtrans-71.4-47.3174.800000113L225 R226 S227 A231 L232 I233L225-G229 PolarHBondContact O-N 3.01Å; R226-G229 CarbonylContact O-C 3.55Å; R226-G229 WeakPolarHBondContact O-CA 3.44Å; R226-G229 PolarHBondContact O-N 2.83Å; S227-G229 VanDerWaalsContact C-N 3.26Å; S227-G229 PolarHBondContact O-N 2.84Å; G229-A231 VanDerWaalsContact C-N 3.32Å; G229-A231 PolarHBondContact O-N 2.93Å; G229-L232 WeakPolarHBondContact O-CB 3.41Å; G229-L232 PolarHBondContact O-N 3.47Å; G229-L232 VanDerWaalsContact O-N 3.09Å; G229-I233 VanDerWaalsContact O-CG1 3.31Å; G229-I233 WeakPolarHBondContact O-CG1 3.26Å; G229-I233 PolarHBondContact O-N 3.3Å
230D87.3Confident87.6Confident69 Ų6966.9 Ų66.937%0.36938%0.376SS..Hα-helixtrans-60.7-43.1177-66.1-30.2000110.6R226 L232 I233 D234R226-D230 PolarHBondContact O-N 2.94Å; D230-L232 VanDerWaalsContact C-N 3.3Å; D230-L232 PolarHBondContact O-N 3.2Å; D230-I233 WeakPolarHBondContact O-CB 3.3Å; D230-I233 PolarHBondContact O-N 3.02Å; D230-I233 VanDerWaalsContact O-N 3.17Å; D230-D234 PolarHBondContact O-N 2.87Å
231A90.5Very high87.9Confident60 Ų6060.2 Ų60.250%0.49635%0.354SS..Hα-helixtrans-61.4-36.2173.800000113.1S227 G229 L235S227-A231 PolarHBondContact O-N 2.91Å; S227-A231 VanDerWaalsContact O-N 3.11Å; G229-A231 VanDerWaalsContact C-N 3.32Å; G229-A231 PolarHBondContact O-N 2.93Å; A231-L235 WeakPolarHBondContact O-CB 3.42Å; A231-L235 PolarHBondContact O-N 3.45Å
232L91.3Very high88.2Confident14 Ų1461.3 Ų61.37%0.07336%0.363CS..Hα-helixtrans-69.8-38.6175.8-172.262.7000111.5T228 G229 D230 L235 F236 D276 M277 L280T228-L232 WeakPolarHBondContact O-CB 3.39Å; T228-L232 PolarHBondContact O-N 2.83Å; T228-L232 VanDerWaalsContact O-N 3.15Å; G229-L232 WeakPolarHBondContact O-CB 3.41Å; G229-L232 PolarHBondContact O-N 3.47Å; G229-L232 VanDerWaalsContact O-N 3.09Å; D230-L232 VanDerWaalsContact C-N 3.3Å; D230-L232 PolarHBondContact O-N 3.2Å; L232-L235 PolarHBondContact O-N 3.33Å; L232-F236 HydrophobicContact CD1-CD2 4.07Å; L232-F236 HydrophobicContact CD1-CE2 3.88Å; L232-F236 HydrophobicContact CG-CD2 4.22Å; L232-F236 HydrophobicContact CG-CE2 4.25Å; L232-F236 VanDerWaalsContact O-CD2 3.27Å; L232-F236 WeakPolarHBondContact O-CD2 3.36Å; L232-F236 PolarHBondContact O-N 2.92Å; L232-D276 HydrophobicContact CD2-CB 3.7Å; L232-D276 HydrophobicContact CG-CB 4.27Å; L232-M277 HydrophobicContact CD1-CG 4.37Å; L232-M277 HydrophobicContact CD1-SD 3.6Å; L232-M277 VanDerWaalsContact CD1-SD 3.6Å; L232-M277 HydrophobicContact CD2-CG 3.93Å; L232-M277 HydrophobicContact CD2-SD 4.21Å; L232-L280 HydrophobicContact CD1-CD2 4.4Å
233I89.5Confident88.4Confident12 Ų1261.3 Ų61.36%0.06237%0.365CS..Hα-helixtrans-61.9-45174.9-69.7163.1000110.6G229 D230 F236 Q237 L245 K246G229-I233 VanDerWaalsContact O-CG1 3.31Å; G229-I233 WeakPolarHBondContact O-CG1 3.26Å; G229-I233 PolarHBondContact O-N 3.3Å; D230-I233 WeakPolarHBondContact O-CB 3.3Å; D230-I233 PolarHBondContact O-N 3.02Å; D230-I233 VanDerWaalsContact O-N 3.17Å; I233-F236 PolarHBondContact O-N 3.24Å; I233-Q237 WeakPolarHBondContact O-CB 3.42Å; I233-Q237 PolarHBondContact O-N 3.01Å; I233-L245 HydrophobicContact CD1-CB 4.37Å; I233-L245 HydrophobicContact CD1-CD2 4.2Å; I233-L245 HydrophobicContact CD1-CG 4.19Å; I233-L245 HydrophobicContact CG1-CB 4.2Å; I233-L245 HydrophobicContact CG1-CD2 4.24Å; I233-L245 HydrophobicContact CG1-CG 4.43Å; I233-K246 HydrophobicContact CD1-CB 4.2Å; I233-K246 HydrophobicContact CG1-CB 3.97Å; I233-K246 HydrophobicContact CG2-CB 3.81Å; I233-K246 HydrophobicContact CG2-CD 3.77Å; I233-K246 HydrophobicContact CG2-CG 3.76Å
234D90.7Very high88.6Confident103 Ų10360.3 Ų60.355%0.55136%0.358SS*.Hα-helixtrans-64.2-41.2178.5-72.9-17000111.8D230 Q237 S238D230-D234 PolarHBondContact O-N 2.87Å; D234-Q237 WeakPolarHBondContact O-CB 3.41Å; D234-Q237 PolarHBondContact O-N 2.93Å; D234-S238 PolarHBondContact O-N 3.06Å
235L91.6Very high88.8Confident69 Ų6954.9 Ų54.936%0.36133%0.329SS..Hα-helixtrans-62.8-43.2174.7-179.663.7000111.9A231 L232 Q237 S238 E239 L280A231-L235 WeakPolarHBondContact O-CB 3.42Å; A231-L235 PolarHBondContact O-N 3.45Å; L232-L235 PolarHBondContact O-N 3.33Å; L235-Q237 VanDerWaalsContact C-N 3.26Å; L235-Q237 PolarHBondContact O-N 3.41Å; L235-S238 PolarHBondContact O-N 2.9Å; L235-S238 PolarHBondContact O-OG 3.4Å; L235-E239 HydrophobicContact CD1-CG 4.25Å; L235-E239 WeakPolarHBondContact O-CG 3.45Å; L235-E239 PolarHBondContact O-N 3.33Å; L235-L280 HydrophobicContact CD2-CD1 4.47Å; L235-L280 HydrophobicContact CD2-CD2 3.55Å
236F92Very high88.8Confident3 Ų358.3 Ų58.31%0.01334%0.343CS..Hα-helixtrans-61.9-38.8174.6-93.5-112.1000111.4L232 I233 E239 G240 L241 P242 D276 C279 L280L232-F236 HydrophobicContact CD1-CD2 4.07Å; L232-F236 HydrophobicContact CD1-CE2 3.88Å; L232-F236 HydrophobicContact CG-CD2 4.22Å; L232-F236 HydrophobicContact CG-CE2 4.25Å; L232-F236 VanDerWaalsContact O-CD2 3.27Å; L232-F236 WeakPolarHBondContact O-CD2 3.36Å; L232-F236 PolarHBondContact O-N 2.92Å; I233-F236 PolarHBondContact O-N 3.24Å; F236-E239 PolarHBondContact O-N 3.47Å; F236-G240 PolarHBondContact O-N 2.99Å; F236-L241 CarbonylContact C-O 3.59Å; F236-L241 HydrophobicContact CB-CB 4.35Å; F236-L241 HydrophobicContact CD1-CB 3.4Å; F236-L241 VanDerWaalsContact CD1-CB 3.4Å; F236-L241 HydrophobicContact CD1-CD1 4.37Å; F236-L241 HydrophobicContact CE1-CB 3.84Å; F236-L241 HydrophobicContact CE1-CD1 4.2Å; F236-L241 HydrophobicContact CG-CB 4.09Å; F236-L241 HydrophobicContact CZ-CD1 4.5Å; F236-L241 PolarHBondContact O-N 2.89Å; F236-P242 WeakPolarHBondContact CD1-O 3.34Å; F236-D276 HydrophobicContact CE1-CB 4.4Å; F236-D276 HydrophobicContact CE2-CB 4.03Å; F236-D276 HydrophobicContact CZ-CB 3.93Å; F236-D276 WeakPolarHBondContact CZ-O 3.38Å; F236-C279 HydrophobicContact CE1-CB 4.15Å; F236-C279 HydrophobicContact CZ-CB 4.04Å; F236-L280 HydrophobicContact CE2-CB 3.72Å; F236-L280 HydrophobicContact CE2-CD1 4.32Å; F236-L280 HydrophobicContact CE2-CD2 4.41Å; F236-L280 HydrophobicContact CE2-CG 4.37Å; F236-L280 HydrophobicContact CZ-CB 3.8Å
237Q90.3Very high88.8Confident118 Ų11865 Ų6555%0.55137%0.368SS*.Hα-helixtrans-68.3-38.3177-174.3167.6-23.600112.8I233 D234 L235 E239 G240I233-Q237 WeakPolarHBondContact O-CB 3.42Å; I233-Q237 PolarHBondContact O-N 3.01Å; D234-Q237 WeakPolarHBondContact O-CB 3.41Å; D234-Q237 PolarHBondContact O-N 2.93Å; L235-Q237 VanDerWaalsContact C-N 3.26Å; L235-Q237 PolarHBondContact O-N 3.41Å; Q237-E239 VanDerWaalsContact C-N 3.34Å; Q237-G240 PolarHBondContact O-N 3.09Å
238S90.1Very high88.7Confident86 Ų8662.3 Ų62.360%0.60135%0.348SS*.Hα-helixtrans-68.3-34.1176.366.80000112.6D234 L235 G240D234-S238 PolarHBondContact O-N 3.06Å; L235-S238 PolarHBondContact O-N 2.9Å; L235-S238 PolarHBondContact O-OG 3.4Å; S238-G240 VanDerWaalsContact C-N 3.31Å
239E89.4Confident88.3Confident106 Ų10659.8 Ų59.850%0.49533%0.333SS..THydrogen-bonded Turntrans-86.51.6176.1-58.8-56.2133.900113L235 F236 Q237 L241L235-E239 HydrophobicContact CD1-CG 4.25Å; L235-E239 WeakPolarHBondContact O-CG 3.45Å; L235-E239 PolarHBondContact O-N 3.33Å; F236-E239 PolarHBondContact O-N 3.47Å; Q237-E239 VanDerWaalsContact C-N 3.34Å; E239-L241 VanDerWaalsContact C-N 3.28Å; E239-L241 HydrophobicContact CB-CD1 4.14Å; E239-L241 HydrophobicContact CB-CG 4.11Å; E239-L241 PolarHBondContact O-N 2.84Å
240G87.6Confident87.8Confident68 Ų6861.5 Ų61.570%0.70135%0.351SS*.THydrogen-bonded Turntrans68.221.3179.600000114.9F236 Q237 S238F236-G240 PolarHBondContact O-N 2.99Å; Q237-G240 PolarHBondContact O-N 3.09Å; S238-G240 VanDerWaalsContact C-N 3.31Å
241L88.4Confident87.1Confident41 Ų4160.8 Ų60.822%0.21536%0.355CS..PPolyproline II helixtrans-95146.1-178.2-61.2176.5000112.1F236 E239 S243 L280 H283F236-L241 CarbonylContact C-O 3.59Å; F236-L241 HydrophobicContact CB-CB 4.35Å; F236-L241 HydrophobicContact CD1-CB 3.4Å; F236-L241 VanDerWaalsContact CD1-CB 3.4Å; F236-L241 HydrophobicContact CD1-CD1 4.37Å; F236-L241 HydrophobicContact CE1-CB 3.84Å; F236-L241 HydrophobicContact CE1-CD1 4.2Å; F236-L241 HydrophobicContact CG-CB 4.09Å; F236-L241 HydrophobicContact CZ-CD1 4.5Å; F236-L241 PolarHBondContact O-N 2.89Å; E239-L241 VanDerWaalsContact C-N 3.28Å; E239-L241 HydrophobicContact CB-CD1 4.14Å; E239-L241 HydrophobicContact CB-CG 4.11Å; E239-L241 PolarHBondContact O-N 2.84Å; L241-S243 PolarHBondContact O-N 2.86Å; L241-L280 HydrophobicContact CD1-CD1 4.29Å; L241-H283 HydrophobicContact CD1-CB 4.08Å
242P88.6Confident86.1Confident114 Ų11459 Ų5974%0.7434%0.336SS*.PPolyproline II helixtrans-76.8124.2174.930.3-32.9000111.3F236F236-P242 WeakPolarHBondContact CD1-O 3.34Å
243S88.6Confident84.9Confident16 Ų1666.3 Ų66.311%0.11237%0.367CS..PPolyproline II helixtrans-95.5126.6175.1165.70000111.4L241 L245 K246 D276L241-S243 PolarHBondContact O-N 2.86Å; S243-L245 VanDerWaalsContact C-N 3.32Å; S243-L245 PolarHBondContact OG-N 2.83Å; S243-K246 PolarHBondContact OG-N 3.11Å; S243-D276 WeakPolarHBondContact CA-OD2 3.48Å; S243-D276 WeakPolarHBondContact CB-OD2 3.43Å; S243-D276 PolarHBondContact OG-OD2 3.12Å
244S87.8Confident83.5Confident35 Ų3572.5 Ų72.525%0.24540%0.401CS..Hα-helixtrans-71-35.7173.4-39.20000110.2K246 R247 L248 E272 D276S244-K246 VanDerWaalsContact C-N 3.35Å; S244-K246 PolarHBondContact O-N 2.94Å; S244-R247 WeakPolarHBondContact O-CB 3.48Å; S244-R247 PolarHBondContact O-N 3.17Å; S244-L248 PolarHBondContact O-N 2.96Å; S244-E272 WeakPolarHBondContact CB-OE2 3.48Å; S244-D276 VanDerWaalsContact CB-OD1 3.23Å; S244-D276 WeakPolarHBondContact CB-OD1 3.3Å; S244-D276 PolarHBondContact N-OD1 3.47Å; S244-D276 PolarHBondContact N-OD2 3.46Å; S244-D276 PolarHBondContact OG-OD1 3.27Å
245L88.3Confident81.8Confident0 Ų072.8 Ų72.80%041%0.407CS..Hα-helixtrans-66.1-35.1176.8-164.671.9000112.6I233 S243 R247 L248 S249 W269 E272 Q273 D276I233-L245 HydrophobicContact CD1-CB 4.37Å; I233-L245 HydrophobicContact CD1-CD2 4.2Å; I233-L245 HydrophobicContact CD1-CG 4.19Å; I233-L245 HydrophobicContact CG1-CB 4.2Å; I233-L245 HydrophobicContact CG1-CD2 4.24Å; I233-L245 HydrophobicContact CG1-CG 4.43Å; S243-L245 VanDerWaalsContact C-N 3.32Å; S243-L245 PolarHBondContact OG-N 2.83Å; L245-R247 VanDerWaalsContact C-N 3.26Å; L245-R247 PolarHBondContact O-N 3.39Å; L245-L248 HydrophobicContact CD1-CD2 4.39Å; L245-L248 PolarHBondContact O-N 3Å; L245-S249 WeakPolarHBondContact O-CB 3.38Å; L245-S249 PolarHBondContact O-N 3.43Å; L245-W269 HydrophobicContact CD1-CD2 3.76Å; L245-W269 HydrophobicContact CD1-CE3 4.26Å; L245-W269 HydrophobicContact CD1-CG 3.92Å; L245-W269 HydrophobicContact CD1-CZ2 4.33Å; L245-W269 WeakPolarHBondContact CD1-O 3.37Å; L245-W269 HydrophobicContact CD2-CZ2 4.12Å; L245-W269 HydrophobicContact CG-CZ2 4.22Å; L245-E272 HydrophobicContact CB-CB 4.45Å; L245-E272 HydrophobicContact CD1-CB 3.76Å; L245-Q273 HydrophobicContact CD1-CG 3.76Å; L245-Q273 HydrophobicContact CD2-CB 4.5Å; L245-Q273 HydrophobicContact CD2-CG 3.35Å; L245-Q273 HydrophobicContact CG-CG 4.17Å; L245-D276 VanDerWaalsContact CB-OD2 3.26Å; L245-D276 WeakPolarHBondContact CB-OD2 3.34Å; L245-D276 PolarHBondContact N-OD2 3.5Å
246K86.9Confident79.9Confident100 Ų10072.1 Ų72.144%0.43541%0.405SS..Hα-helixtrans-58.2-40174.4-171.5173.3-172.4164.20111.9I233 S243 S244 G250I233-K246 HydrophobicContact CD1-CB 4.2Å; I233-K246 HydrophobicContact CG1-CB 3.97Å; I233-K246 HydrophobicContact CG2-CB 3.81Å; I233-K246 HydrophobicContact CG2-CD 3.77Å; I233-K246 HydrophobicContact CG2-CG 3.76Å; S243-K246 PolarHBondContact OG-N 3.11Å; S244-K246 VanDerWaalsContact C-N 3.35Å; S244-K246 PolarHBondContact O-N 2.94Å; K246-G250 PolarHBondContact O-N 3.3Å; K246-G250 VanDerWaalsContact O-N 3.1Å
247R84.2Confident78.1Confident211 Ų21174.7 Ų74.780%0.79643%0.432SS*.Hα-helixtrans-67.7-43.2177-167.1-174.4-57.9-173.81.8111.4S244 L245 G250 A251S244-R247 WeakPolarHBondContact O-CB 3.48Å; S244-R247 PolarHBondContact O-N 3.17Å; L245-R247 VanDerWaalsContact C-N 3.26Å; L245-R247 PolarHBondContact O-N 3.39Å; R247-G250 PolarHBondContact O-N 2.96Å; R247-A251 PolarHBondContact O-N 3.48Å; R247-A251 VanDerWaalsContact O-N 3.17Å
248L82.4Confident76.4Confident18 Ų1876.1 Ų76.19%0.09445%0.452CS..Hα-helixtrans-65.4-42.1176.8-174.467.3000112S244 L245 G250 A251 M252 Q268 W269 E272S244-L248 PolarHBondContact O-N 2.96Å; L245-L248 HydrophobicContact CD1-CD2 4.39Å; L245-L248 PolarHBondContact O-N 3Å; L248-G250 VanDerWaalsContact C-N 3.35Å; L248-G250 PolarHBondContact O-N 3.32Å; L248-A251 PolarHBondContact O-N 2.81Å; L248-M252 HydrophobicContact CD1-CE 4.13Å; L248-M252 HydrophobicContact CD1-CG 4.42Å; L248-M252 HydrophobicContact CD2-CE 4.26Å; L248-M252 HydrophobicContact CD2-SD 4.43Å; L248-M252 HydrophobicContact CG-CE 4.22Å; L248-M252 HydrophobicContact CG-CG 4.39Å; L248-M252 HydrophobicContact CG-SD 4.14Å; L248-M252 WeakPolarHBondContact O-CB 3.28Å; L248-M252 WeakPolarHBondContact O-CG 3.22Å; L248-M252 PolarHBondContact O-N 3.49Å; L248-Q268 HydrophobicContact CD1-CG 4.11Å; L248-Q268 HydrophobicContact CD2-CB 4.47Å; L248-Q268 HydrophobicContact CD2-CG 3.93Å; L248-W269 HydrophobicContact CD2-CB 4.31Å; L248-W269 HydrophobicContact CD2-CE3 4.26Å; L248-E272 HydrophobicContact CB-CG 4.5Å; L248-E272 HydrophobicContact CD2-CB 4.17Å; L248-E272 HydrophobicContact CD2-CG 3.87Å
249S81.1Confident74.8Confident13 Ų1372.9 Ų72.99%0.09143%0.432CS..Hα-helixtrans-59.7-42.9176.1178.30000112.1L245 M252 K253L245-S249 WeakPolarHBondContact O-CB 3.38Å; L245-S249 PolarHBondContact O-N 3.43Å; S249-M252 PolarHBondContact O-N 2.91Å; S249-K253 WeakPolarHBondContact O-CG 3.47Å; S249-K253 PolarHBondContact O-N 3.45Å
250G77.8Confident73.7Confident36 Ų3671.7 Ų71.737%0.37143%0.427SS..Hα-helixtrans-57.9-50.1171.600000112.4K246 R247 L248 M252 K253K246-G250 PolarHBondContact O-N 3.3Å; K246-G250 VanDerWaalsContact O-N 3.1Å; R247-G250 PolarHBondContact O-N 2.96Å; L248-G250 VanDerWaalsContact C-N 3.35Å; L248-G250 PolarHBondContact O-N 3.32Å; G250-M252 PolarHBondContact O-N 2.98Å; G250-K253 PolarHBondContact O-N 3.09Å
251A72.4Confident72.9Confident54 Ų5469.2 Ų69.245%0.44640%0.397SS..Hα-helixtrans-67.2-32.9-179.200000114R247 L248 T255R247-A251 PolarHBondContact O-N 3.48Å; R247-A251 VanDerWaalsContact O-N 3.17Å; L248-A251 PolarHBondContact O-N 2.81Å; A251-T255 PolarHBondContact O-OG1 3.28Å
252M68.9Low72.3Confident22 Ų2271.2 Ų71.211%0.10841%0.411CS..Hα-helixtrans-76.4-31.8177.5-78.6-173.4166.200113.3L248 S249 G250 D254 T255 V256 M261 D265 W269L248-M252 HydrophobicContact CD1-CE 4.13Å; L248-M252 HydrophobicContact CD1-CG 4.42Å; L248-M252 HydrophobicContact CD2-CE 4.26Å; L248-M252 HydrophobicContact CD2-SD 4.43Å; L248-M252 HydrophobicContact CG-CE 4.22Å; L248-M252 HydrophobicContact CG-CG 4.39Å; L248-M252 HydrophobicContact CG-SD 4.14Å; L248-M252 WeakPolarHBondContact O-CB 3.28Å; L248-M252 WeakPolarHBondContact O-CG 3.22Å; L248-M252 PolarHBondContact O-N 3.49Å; S249-M252 PolarHBondContact O-N 2.91Å; G250-M252 PolarHBondContact O-N 2.98Å; M252-D254 PolarHBondContact O-N 3.24Å; M252-T255 PolarHBondContact O-N 3.47Å; M252-V256 PolarHBondContact O-N 3.1Å; M252-M261 HydrophobicContact SD-CE 4.26Å; M252-D265 HydrophobicContact CE-CB 3.39Å; M252-D265 WeakPolarHBondContact CE-OD1 3.42Å; M252-D265 HydrophobicContact SD-CB 4.39Å; M252-W269 HydrophobicContact SD-CE3 3.68Å; M252-W269 HydrophobicContact SD-CZ3 4.13Å
253K67.2Low71.7Confident167 Ų16769.8 Ų69.873%0.72641%0.409SS*.Hα-helixtrans-58-28.4172.3-87.2-179.9178177.40112.4S249 G250S249-K253 WeakPolarHBondContact O-CG 3.47Å; S249-K253 PolarHBondContact O-N 3.45Å; G250-K253 PolarHBondContact O-N 3.09Å
254D60.3Low71.3Confident143 Ų14371.3 Ų71.377%0.76543%0.427SS*.THydrogen-bonded Turntrans-91.2-14.9-175.9-63-24.6000113.8M252M252-D254 PolarHBondContact O-N 3.24Å
255T54.3Low71.1Confident109 Ų10971 Ų7167%0.66942%0.422SS*.THydrogen-bonded Turntrans-116.7-18.3-169.343.80000115.1A251 M252A251-T255 PolarHBondContact O-OG1 3.28Å; M252-T255 PolarHBondContact O-N 3.47Å
256V52Low70.9Confident55 Ų5572.8 Ų72.833%0.33343%0.433SS..SBendtrans-129.4119.3-175.9-178.20000110.1M252 Q260M252-V256 PolarHBondContact O-N 3.1Å; V256-Q260 WeakPolarHBondContact CG1-O 3.19Å
257G54.5Low70.8Confident56 Ų5671.6 Ų71.658%0.57744%0.435SS*.  trans-58.5158.517600000112.7G259G257-G259 PolarHBondContact O-N 2.93Å
258P53.1Low70.8Confident148 Ų14865.7 Ų65.796%0.96142%0.416SS*.THydrogen-bonded Turntrans-59.8101.6-16924.8-33.3000110.9
259G57.8Low71.1Confident19 Ų1965.2 Ų65.220%0.19641%0.413CS..THydrogen-bonded Turntrans149.4-22.7159.700000118.6G257G257-G259 PolarHBondContact O-N 2.93Å
260Q64.8Low71.4Confident81 Ų8166.6 Ų66.638%0.37943%0.425SS..  trans-139.7104.2-163.4-58-178.4-000113.5L212 P214 V256L212-Q260 PolarHBondContact O-OE1 3.33Å; P214-Q260 HydrophobicContact CG-CB 4.08Å; P214-Q260 HydrophobicContact CG-CG 3.86Å; V256-Q260 WeakPolarHBondContact CG1-O 3.19Å
261M72.4Confident71.9Confident15 Ų1570.4 Ų70.47%0.07443%0.433CS..  trans-77.8137.4169.4-65.9171.977.300109.4Q222 L225 R226 M252 D265 V266 W269Q222-M261 HydrophobicContact CB-SD 4.33Å; Q222-M261 HydrophobicContact CG-CB 4.25Å; Q222-M261 HydrophobicContact CG-SD 4.43Å; Q222-M261 PolarHBondContact NE2-O 3.4Å; L225-M261 HydrophobicContact CD2-CE 4.45Å; R226-M261 HydrophobicContact CG-SD 4.13Å; M252-M261 HydrophobicContact SD-CE 4.26Å; M261-D265 HydrophobicContact CB-CB 3.92Å; M261-D265 HydrophobicContact CE-CB 4.05Å; M261-D265 WeakPolarHBondContact CE-O 3.49Å; M261-D265 HydrophobicContact CG-CB 4.4Å; M261-V266 HydrophobicContact CB-CG2 3.68Å; M261-V266 HydrophobicContact CE-CG2 4.23Å; M261-V266 HydrophobicContact SD-CG2 4.33Å; M261-W269 HydrophobicContact CE-CB 3.67Å; M261-W269 HydrophobicContact CE-CD2 4.17Å; M261-W269 HydrophobicContact CE-CE3 4.18Å; M261-W269 HydrophobicContact CE-CG 3.98Å
262T75.4Confident72.7Confident83 Ų8369.1 Ų69.151%0.50942%0.418SS..  trans-70.7164.6168.669.80000110.4G264 D265 V266T262-G264 PolarHBondContact O-N 2.88Å; T262-D265 WeakPolarHBondContact CB-OD2 3.48Å; T262-D265 WeakPolarHBondContact CG2-OD2 3.49Å; T262-D265 PolarHBondContact N-OD2 2.85Å; T262-D265 PolarHBondContact O-N 3.16Å; T262-D265 VanDerWaalsContact O-N 3.13Å; T262-D265 PolarHBondContact OG1-N 3.22Å; T262-D265 PolarHBondContact OG1-OD2 3.05Å; T262-V266 WeakPolarHBondContact O-CG2 3.42Å; T262-V266 PolarHBondContact O-N 3.3Å
263A76.5Confident73.8Confident84 Ų8469.2 Ų69.269%0.69442%0.418SS*.Hα-helixtrans-59-31.7175.200000112.5T267A263-T267 PolarHBondContact O-N 3.09Å; A263-T267 PolarHBondContact O-OG1 3.28Å
264G79.6Confident74.9Confident48 Ų4865.5 Ų65.550%0.49541%0.406SS..Hα-helixtrans-65.6-4717300000112.1T262 V266 T267 Q268T262-G264 PolarHBondContact O-N 2.88Å; G264-V266 PolarHBondContact O-N 3.09Å; G264-T267 WeakPolarHBondContact O-CB 3.38Å; G264-T267 PolarHBondContact O-N 3.18Å; G264-T267 VanDerWaalsContact O-N 3.16Å; G264-Q268 WeakPolarHBondContact O-CB 3.39Å; G264-Q268 PolarHBondContact O-N 3.48Å
265D82.3Confident76.4Confident28 Ų2864.9 Ų64.915%0.1539%0.393CS..Hα-helixtrans-61.5-42.9178.7-60.5-36.9000112.3M252 M261 T262 T267 Q268 W269M252-D265 HydrophobicContact CE-CB 3.39Å; M252-D265 WeakPolarHBondContact CE-OD1 3.42Å; M252-D265 HydrophobicContact SD-CB 4.39Å; M261-D265 HydrophobicContact CB-CB 3.92Å; M261-D265 HydrophobicContact CE-CB 4.05Å; M261-D265 WeakPolarHBondContact CE-O 3.49Å; M261-D265 HydrophobicContact CG-CB 4.4Å; T262-D265 WeakPolarHBondContact CB-OD2 3.48Å; T262-D265 WeakPolarHBondContact CG2-OD2 3.49Å; T262-D265 PolarHBondContact N-OD2 2.85Å; T262-D265 PolarHBondContact O-N 3.16Å; T262-D265 VanDerWaalsContact O-N 3.13Å; T262-D265 PolarHBondContact OG1-N 3.22Å; T262-D265 PolarHBondContact OG1-OD2 3.05Å; D265-T267 VanDerWaalsContact C-N 3.29Å; D265-T267 PolarHBondContact O-N 2.8Å; D265-Q268 PolarHBondContact O-N 2.94Å; D265-W269 WeakPolarHBondContact O-CB 3.49Å; D265-W269 PolarHBondContact O-N 3.33Å
266V84.3Confident78.2Confident38 Ų3859.7 Ų59.723%0.2336%0.361CS..Hα-helixtrans-61.2-41.7176.1172.40000110.7Q222 L225 M261 T262 G264 A270Q222-V266 HydrophobicContact CG-CG2 3.83Å; L225-V266 HydrophobicContact CD2-CG1 3.96Å; M261-V266 HydrophobicContact CB-CG2 3.68Å; M261-V266 HydrophobicContact CE-CG2 4.23Å; M261-V266 HydrophobicContact SD-CG2 4.33Å; T262-V266 WeakPolarHBondContact O-CG2 3.42Å; T262-V266 PolarHBondContact O-N 3.3Å; G264-V266 PolarHBondContact O-N 3.09Å; V266-A270 VanDerWaalsContact O-CB 3.31Å; V266-A270 WeakPolarHBondContact O-CB 3.43Å; V266-A270 PolarHBondContact O-N 3.49Å
267T84.6Confident80Confident76 Ų7661.8 Ų61.847%0.46637%0.368SS..Hα-helixtrans-68.4-44.2179.2-53.90000111.2A263 G264 D265 A270 Q271A263-T267 PolarHBondContact O-N 3.09Å; A263-T267 PolarHBondContact O-OG1 3.28Å; G264-T267 WeakPolarHBondContact O-CB 3.38Å; G264-T267 PolarHBondContact O-N 3.18Å; G264-T267 VanDerWaalsContact O-N 3.16Å; D265-T267 VanDerWaalsContact C-N 3.29Å; D265-T267 PolarHBondContact O-N 2.8Å; T267-A270 PolarHBondContact O-N 3.03Å; T267-Q271 VanDerWaalsContact O-CG 3.27Å; T267-Q271 WeakPolarHBondContact O-CG 3.27Å; T267-Q271 PolarHBondContact O-N 3.5Å
268Q85.4Confident81.8Confident87 Ų8767.1 Ų67.141%0.40737%0.371SS..Hα-helixtrans-65.3-42.6178.2-170.1178.1100111.7L248 G264 D265 Q271 E272L248-Q268 HydrophobicContact CD1-CG 4.11Å; L248-Q268 HydrophobicContact CD2-CB 4.47Å; L248-Q268 HydrophobicContact CD2-CG 3.93Å; G264-Q268 WeakPolarHBondContact O-CB 3.39Å; G264-Q268 PolarHBondContact O-N 3.48Å; D265-Q268 PolarHBondContact O-N 2.94Å; Q268-Q271 PolarHBondContact O-N 2.86Å; Q268-E272 PolarHBondContact O-N 3.25Å
269W88.1Confident83.7Confident8 Ų863 Ų633%0.0335%0.345CS..Hα-helixtrans-62-46175.3-171.5-74.7000111.9L225 R226 L245 L248 M252 M261 D265 Q271 E272 Q273L225-W269 HydrophobicContact CD2-CB 4.13Å; L225-W269 HydrophobicContact CD2-CG 4.04Å; L225-W269 VanDerWaalsContact CG-CD1 3.41Å; L225-W269 HydrophobicContact CG-CG 4.28Å; L225-W269 PolarHBondContact O-NE1 2.88Å; R226-W269 HydrophobicContact CB-CZ2 4.44Å; R226-W269 HydrophobicContact CG-CH2 4.49Å; R226-W269 HydrophobicContact CG-CZ2 4.34Å; L245-W269 HydrophobicContact CD1-CD2 3.76Å; L245-W269 HydrophobicContact CD1-CE3 4.26Å; L245-W269 HydrophobicContact CD1-CG 3.92Å; L245-W269 HydrophobicContact CD1-CZ2 4.33Å; L245-W269 WeakPolarHBondContact CD1-O 3.37Å; L245-W269 HydrophobicContact CD2-CZ2 4.12Å; L245-W269 HydrophobicContact CG-CZ2 4.22Å; L248-W269 HydrophobicContact CD2-CB 4.31Å; L248-W269 HydrophobicContact CD2-CE3 4.26Å; M252-W269 HydrophobicContact SD-CE3 3.68Å; M252-W269 HydrophobicContact SD-CZ3 4.13Å; M261-W269 HydrophobicContact CE-CB 3.67Å; M261-W269 HydrophobicContact CE-CD2 4.17Å; M261-W269 HydrophobicContact CE-CE3 4.18Å; M261-W269 HydrophobicContact CE-CG 3.98Å; D265-W269 WeakPolarHBondContact O-CB 3.49Å; D265-W269 PolarHBondContact O-N 3.33Å; W269-Q271 VanDerWaalsContact C-N 3.28Å; W269-Q271 PolarHBondContact O-N 3.19Å; W269-E272 PolarHBondContact O-N 2.97Å; W269-Q273 WeakPolarHBondContact O-CB 3.37Å; W269-Q273 WeakPolarHBondContact O-CG 3.49Å; W269-Q273 PolarHBondContact O-N 2.98Å
270A87.4Confident85.4Confident41 Ų4163 Ų6334%0.33934%0.34SS..Hα-helixtrans-62.1-35.7175.900000112.3V266 T267 L274V266-A270 VanDerWaalsContact O-CB 3.31Å; V266-A270 WeakPolarHBondContact O-CB 3.43Å; V266-A270 PolarHBondContact O-N 3.49Å; T267-A270 PolarHBondContact O-N 3.03Å; A270-L274 VanDerWaalsContact O-CB 3.27Å; A270-L274 WeakPolarHBondContact O-CB 3.29Å; A270-L274 PolarHBondContact O-N 3.31Å
271Q88.7Confident86.6Confident116 Ų11662 Ų6254%0.54235%0.346SS..Hα-helixtrans-68-45.4175.7-75.5175.89.600112.6T267 Q268 W269 L274 R275T267-Q271 VanDerWaalsContact O-CG 3.27Å; T267-Q271 WeakPolarHBondContact O-CG 3.27Å; T267-Q271 PolarHBondContact O-N 3.5Å; Q268-Q271 PolarHBondContact O-N 2.86Å; W269-Q271 VanDerWaalsContact C-N 3.28Å; W269-Q271 PolarHBondContact O-N 3.19Å; Q271-L274 PolarHBondContact O-N 3.44Å; Q271-R275 WeakPolarHBondContact O-CB 3.37Å; Q271-R275 PolarHBondContact O-N 2.69Å
272E89.5Confident87.7Confident28 Ų2868 Ų6813%0.13137%0.372CS..Hα-helixtrans-69.2-36.2177.2-66.2-55.515200111.6S244 L245 L248 Q268 W269 L274 R275 D276S244-E272 WeakPolarHBondContact CB-OE2 3.48Å; L245-E272 HydrophobicContact CB-CB 4.45Å; L245-E272 HydrophobicContact CD1-CB 3.76Å; L248-E272 HydrophobicContact CB-CG 4.5Å; L248-E272 HydrophobicContact CD2-CB 4.17Å; L248-E272 HydrophobicContact CD2-CG 3.87Å; Q268-E272 PolarHBondContact O-N 3.25Å; W269-E272 PolarHBondContact O-N 2.97Å; E272-L274 VanDerWaalsContact C-N 3.35Å; E272-L274 PolarHBondContact O-N 2.98Å; E272-R275 WeakPolarHBondContact O-CB 3.26Å; E272-R275 PolarHBondContact O-N 3.41Å; E272-R275 IonicContact OE1-CZ 3.07Å; E272-R275 IonicContact OE1-NH1 2.6Å; E272-R275 PolarHBondContact OE1-NH1 3.41Å; E272-R275 IonicContact OE2-CZ 3.45Å; E272-R275 IonicContact OE2-NE 2.64Å; E272-R275 IonicContact OE2-NH1 3.37Å; E272-R275 PolarHBondContact OE2-NH1 3.42Å; E272-D276 PolarHBondContact O-N 2.91Å
273Q90.7Very high88.5Confident24 Ų2466.8 Ų66.811%0.11236%0.36CS..Hα-helixtrans-58.9-46.2169.5-85.5-174.9-18.100111.7L225 T228 L245 W269 R275 D276 M277L225-Q273 PolarHBondContact O-NE2 3.47Å; T228-Q273 PolarHBondContact OG1-NE2 2.86Å; L245-Q273 HydrophobicContact CD1-CG 3.76Å; L245-Q273 HydrophobicContact CD2-CB 4.5Å; L245-Q273 HydrophobicContact CD2-CG 3.35Å; L245-Q273 HydrophobicContact CG-CG 4.17Å; W269-Q273 WeakPolarHBondContact O-CB 3.37Å; W269-Q273 WeakPolarHBondContact O-CG 3.49Å; W269-Q273 PolarHBondContact O-N 2.98Å; Q273-R275 VanDerWaalsContact C-N 3.3Å; Q273-R275 PolarHBondContact O-N 3.46Å; Q273-D276 PolarHBondContact O-N 3.43Å; Q273-M277 WeakPolarHBondContact O-CB 3.47Å; Q273-M277 VanDerWaalsContact O-CG 3.29Å; Q273-M277 WeakPolarHBondContact O-CG 3.41Å; Q273-M277 PolarHBondContact O-N 3.07Å
274L90.8Very high89.3Confident89 Ų8966.5 Ų66.547%0.46635%0.347SS..Hα-helixtrans-65.6-35.9178.4-17661.9000111.6A270 Q271 E272 R278A270-L274 VanDerWaalsContact O-CB 3.27Å; A270-L274 WeakPolarHBondContact O-CB 3.29Å; A270-L274 PolarHBondContact O-N 3.31Å; Q271-L274 PolarHBondContact O-N 3.44Å; E272-L274 VanDerWaalsContact C-N 3.35Å; E272-L274 PolarHBondContact O-N 2.98Å; L274-R278 VanDerWaalsContact O-CG 3.3Å; L274-R278 WeakPolarHBondContact O-CG 3.48Å; L274-R278 PolarHBondContact O-N 3.47Å
275R91.4Very high89.9Confident129 Ų12969.8 Ų69.849%0.48735%0.349SS..Hα-helixtrans-63.3-50175-176.7179.3-74154.6-1.7110.9Q271 E272 Q273 M277 R278 C279Q271-R275 WeakPolarHBondContact O-CB 3.37Å; Q271-R275 PolarHBondContact O-N 2.69Å; E272-R275 WeakPolarHBondContact O-CB 3.26Å; E272-R275 PolarHBondContact O-N 3.41Å; E272-R275 IonicContact OE1-CZ 3.07Å; E272-R275 IonicContact OE1-NH1 2.6Å; E272-R275 PolarHBondContact OE1-NH1 3.41Å; E272-R275 IonicContact OE2-CZ 3.45Å; E272-R275 IonicContact OE2-NE 2.64Å; E272-R275 IonicContact OE2-NH1 3.37Å; E272-R275 PolarHBondContact OE2-NH1 3.42Å; Q273-R275 VanDerWaalsContact C-N 3.3Å; Q273-R275 PolarHBondContact O-N 3.46Å; R275-M277 PolarHBondContact O-N 2.92Å; R275-R278 WeakPolarHBondContact O-CB 3.49Å; R275-R278 PolarHBondContact O-N 3.43Å; R275-R278 VanDerWaalsContact O-N 3.16Å; R275-C279 PolarHBondContact O-N 3.06Å; R275-C279 PolarHBondContact O-SG 3.47Å
276D92.3Very high90.5Very high0 Ų072.1 Ų72.10%036%0.362CS..Hα-helixtrans-61.9-43.7176.7-74.4-2.7000110.5L232 F236 S243 S244 L245 E272 Q273 R278 C279 L280L232-D276 HydrophobicContact CD2-CB 3.7Å; L232-D276 HydrophobicContact CG-CB 4.27Å; F236-D276 HydrophobicContact CE1-CB 4.4Å; F236-D276 HydrophobicContact CE2-CB 4.03Å; F236-D276 HydrophobicContact CZ-CB 3.93Å; F236-D276 WeakPolarHBondContact CZ-O 3.38Å; S243-D276 WeakPolarHBondContact CA-OD2 3.48Å; S243-D276 WeakPolarHBondContact CB-OD2 3.43Å; S243-D276 PolarHBondContact OG-OD2 3.12Å; S244-D276 VanDerWaalsContact CB-OD1 3.23Å; S244-D276 WeakPolarHBondContact CB-OD1 3.3Å; S244-D276 PolarHBondContact N-OD1 3.47Å; S244-D276 PolarHBondContact N-OD2 3.46Å; S244-D276 PolarHBondContact OG-OD1 3.27Å; L245-D276 VanDerWaalsContact CB-OD2 3.26Å; L245-D276 WeakPolarHBondContact CB-OD2 3.34Å; L245-D276 PolarHBondContact N-OD2 3.5Å; E272-D276 PolarHBondContact O-N 2.91Å; Q273-D276 PolarHBondContact O-N 3.43Å; D276-R278 VanDerWaalsContact C-N 3.29Å; D276-R278 PolarHBondContact O-N 3.48Å; D276-C279 WeakPolarHBondContact O-CB 3.45Å; D276-C279 PolarHBondContact O-N 2.77Å; D276-C279 VanDerWaalsContact O-N 3.07Å; D276-L280 PolarHBondContact O-N 2.56Å
277M91.1Very high90.9Very high100 Ų10073.2 Ų73.249%0.49337%0.368SS..Hα-helixtrans-57.7-37.4174-75.6-64-67.100113.5L232 Q273 R275 A281L232-M277 HydrophobicContact CD1-CG 4.37Å; L232-M277 HydrophobicContact CD1-SD 3.6Å; L232-M277 VanDerWaalsContact CD1-SD 3.6Å; L232-M277 HydrophobicContact CD2-CG 3.93Å; L232-M277 HydrophobicContact CD2-SD 4.21Å; Q273-M277 WeakPolarHBondContact O-CB 3.47Å; Q273-M277 VanDerWaalsContact O-CG 3.29Å; Q273-M277 WeakPolarHBondContact O-CG 3.41Å; Q273-M277 PolarHBondContact O-N 3.07Å; R275-M277 PolarHBondContact O-N 2.92Å; M277-A281 WeakPolarHBondContact O-CB 3.46Å; M277-A281 PolarHBondContact O-N 2.92Å
278R92.6Very high91.3Very high168 Ų16877.8 Ų77.863%0.63438%0.377SS*.Hα-helixtrans-70-40.5174.3-72.1173.1-171.7173.83.3112.1L274 R275 D276 L280 A281 K282L274-R278 VanDerWaalsContact O-CG 3.3Å; L274-R278 WeakPolarHBondContact O-CG 3.48Å; L274-R278 PolarHBondContact O-N 3.47Å; R275-R278 WeakPolarHBondContact O-CB 3.49Å; R275-R278 PolarHBondContact O-N 3.43Å; R275-R278 VanDerWaalsContact O-N 3.16Å; D276-R278 VanDerWaalsContact C-N 3.29Å; D276-R278 PolarHBondContact O-N 3.48Å; R278-L280 VanDerWaalsContact C-N 3.32Å; R278-A281 PolarHBondContact O-N 3.25Å; R278-K282 PolarHBondContact O-N 3.43Å
279C92.4Very high91.7Very high61 Ų6176.7 Ų76.741%0.41238%0.379SS..Hα-helixtrans-60-43.6174.4-73.30000111.2F236 R275 D276 K282 H283F236-C279 HydrophobicContact CE1-CB 4.15Å; F236-C279 HydrophobicContact CZ-CB 4.04Å; R275-C279 PolarHBondContact O-N 3.06Å; R275-C279 PolarHBondContact O-SG 3.47Å; D276-C279 WeakPolarHBondContact O-CB 3.45Å; D276-C279 PolarHBondContact O-N 2.77Å; D276-C279 VanDerWaalsContact O-N 3.07Å; C279-K282 PolarHBondContact O-N 3.38Å; C279-H283 PolarHBondContact O-N 3.04Å
280L92.4Very high92Very high18 Ų1880 Ų809%0.09440%0.4CS..Hα-helixtrans-64.8-45.1175.8-175.465.5000111.8L232 L235 F236 L241 D276 R278 K282 H283 L284L232-L280 HydrophobicContact CD1-CD2 4.4Å; L235-L280 HydrophobicContact CD2-CD1 4.47Å; L235-L280 HydrophobicContact CD2-CD2 3.55Å; F236-L280 HydrophobicContact CE2-CB 3.72Å; F236-L280 HydrophobicContact CE2-CD1 4.32Å; F236-L280 HydrophobicContact CE2-CD2 4.41Å; F236-L280 HydrophobicContact CE2-CG 4.37Å; F236-L280 HydrophobicContact CZ-CB 3.8Å; L241-L280 HydrophobicContact CD1-CD1 4.29Å; D276-L280 PolarHBondContact O-N 2.56Å; R278-L280 VanDerWaalsContact C-N 3.32Å; L280-K282 VanDerWaalsContact C-N 3.28Å; L280-K282 PolarHBondContact O-N 3.36Å; L280-H283 PolarHBondContact O-N 3.47Å; L280-L284 HydrophobicContact CD1-CG 4.47Å; L280-L284 HydrophobicContact CG-CD1 4.19Å; L280-L284 HydrophobicContact CG-CG 4.44Å; L280-L284 WeakPolarHBondContact O-CB 3.35Å; L280-L284 WeakPolarHBondContact O-CG 3.49Å; L280-L284 PolarHBondContact O-N 2.89Å
281A91.4Very high92.3Very high60 Ų6080.6 Ų80.650%0.49640%0.399SS..Hα-helixtrans-59-4117700000111.7M277 R278 Q285M277-A281 WeakPolarHBondContact O-CB 3.46Å; M277-A281 PolarHBondContact O-N 2.92Å; R278-A281 PolarHBondContact O-N 3.25Å; A281-Q285 WeakPolarHBondContact O-CB 3.43Å; A281-Q285 PolarHBondContact O-N 2.56Å
282K93.8Very high92.5Very high143 Ų14379.8 Ų79.862%0.62240%0.395SS*.Hα-helixtrans-64.4-47.6174.1-174.2-179.3177-176.20111.5R278 C279 L280 L284 Q285 D286R278-K282 PolarHBondContact O-N 3.43Å; C279-K282 PolarHBondContact O-N 3.38Å; L280-K282 VanDerWaalsContact C-N 3.28Å; L280-K282 PolarHBondContact O-N 3.36Å; K282-L284 PolarHBondContact O-N 2.88Å; K282-Q285 CarbonylContact O-C 3.58Å; K282-Q285 WeakPolarHBondContact O-CA 3.31Å; K282-Q285 WeakPolarHBondContact O-CB 3.23Å; K282-Q285 PolarHBondContact O-N 3.22Å; K282-Q285 VanDerWaalsContact O-N 3.09Å; K282-D286 VanDerWaalsContact O-CG 3.31Å; K282-D286 PolarHBondContact O-N 2.84Å
283H93.1Very high92.8Very high56 Ų5681.7 Ų81.726%0.25941%0.41SS..Hα-helixtrans-58.3-47.2177.7178.571.3000112L241 C279 L280 Q285 D286 V287L241-H283 HydrophobicContact CD1-CB 4.08Å; C279-H283 PolarHBondContact O-N 3.04Å; L280-H283 PolarHBondContact O-N 3.47Å; H283-Q285 VanDerWaalsContact C-N 3.26Å; H283-Q285 PolarHBondContact O-N 3.1Å; H283-D286 PolarHBondContact O-N 3.09Å; H283-D286 VanDerWaalsContact O-N 3.16Å; H283-V287 WeakPolarHBondContact O-CG2 3.49Å; H283-V287 PolarHBondContact O-N 3.19Å
284L92.6Very high93Very high79 Ų7986.2 Ų86.241%0.41444%0.435SS..Hα-helixtrans-60.9-36.4175.4-70.9175.6000112.1L280 K282 R288L280-L284 HydrophobicContact CD1-CG 4.47Å; L280-L284 HydrophobicContact CG-CD1 4.19Å; L280-L284 HydrophobicContact CG-CG 4.44Å; L280-L284 WeakPolarHBondContact O-CB 3.35Å; L280-L284 WeakPolarHBondContact O-CG 3.49Å; L280-L284 PolarHBondContact O-N 2.89Å; K282-L284 PolarHBondContact O-N 2.88Å; L284-R288 VanDerWaalsContact O-CB 3.32Å; L284-R288 WeakPolarHBondContact O-CB 3.31Å; L284-R288 WeakPolarHBondContact O-CG 3.32Å; L284-R288 PolarHBondContact O-N 3.35Å
285Q93.9Very high93.3Very high116 Ų11689.9 Ų89.954%0.54244%0.442SS..Hα-helixtrans-69-39.8175.4-17260.628.900112A281 K282 H283 R288 S289A281-Q285 WeakPolarHBondContact O-CB 3.43Å; A281-Q285 PolarHBondContact O-N 2.56Å; K282-Q285 CarbonylContact O-C 3.58Å; K282-Q285 WeakPolarHBondContact O-CA 3.31Å; K282-Q285 WeakPolarHBondContact O-CB 3.23Å; K282-Q285 PolarHBondContact O-N 3.22Å; K282-Q285 VanDerWaalsContact O-N 3.09Å; H283-Q285 VanDerWaalsContact C-N 3.26Å; H283-Q285 PolarHBondContact O-N 3.1Å; Q285-R288 PolarHBondContact O-N 2.82Å; Q285-S289 VanDerWaalsContact O-CB 3.3Å; Q285-S289 WeakPolarHBondContact O-CB 3.46Å; Q285-S289 PolarHBondContact O-N 2.88Å; Q285-S289 PolarHBondContact O-OG 2.81Å
286D93.2Very high93.5Very high78 Ų7889.2 Ų89.242%0.41745%0.445SS..Hα-helixtrans-68.5-39.5177.1-67.8-19.7000111.5K282 H283 S289 T290K282-D286 VanDerWaalsContact O-CG 3.31Å; K282-D286 PolarHBondContact O-N 2.84Å; H283-D286 PolarHBondContact O-N 3.09Å; H283-D286 VanDerWaalsContact O-N 3.16Å; D286-S289 WeakPolarHBondContact CA-OG 3.16Å; D286-S289 PolarHBondContact O-N 2.93Å; D286-S289 PolarHBondContact O-OG 3.43Å; D286-T290 WeakPolarHBondContact O-CG2 3.27Å; D286-T290 PolarHBondContact O-N 3.12Å; D286-T290 VanDerWaalsContact O-N 3.07Å; D286-T290 PolarHBondContact O-OG1 2.94Å
287V93.9Very high93.6Very high61 Ų6191.9 Ų91.937%0.3747%0.467SS..Hα-helixtrans-64.7-43.8172172.50000110.3H283 S289 T290 V291H283-V287 WeakPolarHBondContact O-CG2 3.49Å; H283-V287 PolarHBondContact O-N 3.19Å; V287-S289 PolarHBondContact O-N 2.74Å; V287-T290 WeakPolarHBondContact CA-OG1 3.48Å; V287-T290 PolarHBondContact O-N 3.44Å; V287-T290 PolarHBondContact O-OG1 3.42Å; V287-V291 HydrophobicContact CG1-CG2 4.03Å; V287-V291 VanDerWaalsContact O-CB 3.29Å; V287-V291 WeakPolarHBondContact O-CB 3.32Å; V287-V291 WeakPolarHBondContact O-CG2 3.49Å; V287-V291 PolarHBondContact O-N 3.37Å
288R93.2Very high93.9Very high172 Ų17292 Ų9265%0.64947%0.469SS*.Hα-helixtrans-63.9-41.5175.7-76.5173.3-175-171.12.1112.2L284 Q285 T290 Q292L284-R288 VanDerWaalsContact O-CB 3.32Å; L284-R288 WeakPolarHBondContact O-CB 3.31Å; L284-R288 WeakPolarHBondContact O-CG 3.32Å; L284-R288 PolarHBondContact O-N 3.35Å; Q285-R288 PolarHBondContact O-N 2.82Å; R288-T290 PolarHBondContact O-N 2.85Å; R288-Q292 WeakPolarHBondContact O-CB 3.39Å; R288-Q292 PolarHBondContact O-N 3.46Å; R288-Q292 VanDerWaalsContact O-N 3.11Å
289S92.4Very high94.1Very high63 Ų6386.4 Ų86.444%0.44146%0.459SS..Hα-helixtrans-69.9-20.6-17971.60000113.1Q285 D286 V287 P293Q285-S289 VanDerWaalsContact O-CB 3.3Å; Q285-S289 WeakPolarHBondContact O-CB 3.46Å; Q285-S289 PolarHBondContact O-N 2.88Å; Q285-S289 PolarHBondContact O-OG 2.81Å; D286-S289 WeakPolarHBondContact CA-OG 3.16Å; D286-S289 PolarHBondContact O-N 2.93Å; D286-S289 PolarHBondContact O-OG 3.43Å; V287-S289 PolarHBondContact O-N 2.74Å; S289-P293 WeakPolarHBondContact O-CD 3.19Å; S289-P293 WeakPolarHBondContact O-CG 3.33Å
290T94.6Very high94.3Very high78 Ų7889.9 Ų89.948%0.47947%0.467SS..Hα-helixtrans-92.4-41.4173.648.80000112.8D286 V287 R288 Q292 P293 L294D286-T290 WeakPolarHBondContact O-CG2 3.27Å; D286-T290 PolarHBondContact O-N 3.12Å; D286-T290 VanDerWaalsContact O-N 3.07Å; D286-T290 PolarHBondContact O-OG1 2.94Å; V287-T290 WeakPolarHBondContact CA-OG1 3.48Å; V287-T290 PolarHBondContact O-N 3.44Å; V287-T290 PolarHBondContact O-OG1 3.42Å; R288-T290 PolarHBondContact O-N 2.85Å; T290-Q292 PolarHBondContact O-N 3.23Å; T290-P293 WeakPolarHBondContact O-CD 3.36Å; T290-L294 VanDerWaalsContact O-CG 3.29Å; T290-L294 WeakPolarHBondContact O-CG 3.44Å; T290-L294 PolarHBondContact O-N 3.04Å
291V94.9Very high94.5Very high54 Ų5491.6 Ų91.633%0.32748%0.484SS..Hα-helixtrans-66-37.1-179.9170.10000112.1V287 L294 R295V287-V291 HydrophobicContact CG1-CG2 4.03Å; V287-V291 VanDerWaalsContact O-CB 3.29Å; V287-V291 WeakPolarHBondContact O-CB 3.32Å; V287-V291 WeakPolarHBondContact O-CG2 3.49Å; V287-V291 PolarHBondContact O-N 3.37Å; V291-L294 PolarHBondContact O-N 3.47Å; V291-R295 HydrophobicContact CG1-CG 4.25Å; V291-R295 WeakPolarHBondContact O-CG 3.47Å; V291-R295 PolarHBondContact O-N 3.01Å
292Q92.8Very high94.7Very high98 Ų9893.6 Ų93.646%0.45848%0.483SS..Hα-helixtrans-64.9-50.4-177.8-177681800112.6R288 T290 L294 R295 E296R288-Q292 WeakPolarHBondContact O-CB 3.39Å; R288-Q292 PolarHBondContact O-N 3.46Å; R288-Q292 VanDerWaalsContact O-N 3.11Å; T290-Q292 PolarHBondContact O-N 3.23Å; Q292-L294 VanDerWaalsContact C-N 3.29Å; Q292-L294 PolarHBondContact O-N 2.92Å; Q292-R295 PolarHBondContact O-N 2.78Å; Q292-E296 PolarHBondContact NE2-OE1 3.5Å; Q292-E296 WeakPolarHBondContact O-CG 3.5Å; Q292-E296 PolarHBondContact O-N 3.48Å
293P95.3Very high94.8Very high69 Ų6990.8 Ų90.845%0.44848%0.478SS..Hα-helixtrans-59.3-36.2171.7-25.834.1000113.8S289 T290 E296 A297S289-P293 WeakPolarHBondContact O-CD 3.19Å; S289-P293 WeakPolarHBondContact O-CG 3.33Å; T290-P293 WeakPolarHBondContact O-CD 3.36Å; P293-E296 PolarHBondContact O-N 3.39Å; P293-A297 VanDerWaalsContact O-CB 3.24Å; P293-A297 WeakPolarHBondContact O-CB 3.46Å; P293-A297 PolarHBondContact O-N 3.47Å
294L95.8Very high95Very high119 Ų11991.7 Ų91.762%0.62348%0.484SS*.Hα-helixtrans-66.4-39176.5-71.9173.6000111.9T290 V291 Q292 A297 L298T290-L294 VanDerWaalsContact O-CG 3.29Å; T290-L294 WeakPolarHBondContact O-CG 3.44Å; T290-L294 PolarHBondContact O-N 3.04Å; V291-L294 PolarHBondContact O-N 3.47Å; Q292-L294 VanDerWaalsContact C-N 3.29Å; Q292-L294 PolarHBondContact O-N 2.92Å; L294-A297 PolarHBondContact O-N 2.68Å; L294-L298 VanDerWaalsContact O-CB 3.28Å; L294-L298 WeakPolarHBondContact O-CB 3.5Å; L294-L298 PolarHBondContact O-N 2.84Å
295R95.4Very high95.2Very high166 Ų16695.9 Ų95.963%0.62650%0.495SS*.Hα-helixtrans-64.1-42.3173.4-76.4-179.3175.6179.6-1.3111.8V291 Q292 L298 A299V291-R295 HydrophobicContact CG1-CG 4.25Å; V291-R295 WeakPolarHBondContact O-CG 3.47Å; V291-R295 PolarHBondContact O-N 3.01Å; Q292-R295 PolarHBondContact O-N 2.78Å; R295-L298 PolarHBondContact O-N 2.96Å; R295-A299 WeakPolarHBondContact O-CB 3.22Å; R295-A299 PolarHBondContact O-N 3.5Å
296E95.6Very high95.3Very high114 Ų11494.1 Ų94.153%0.53349%0.489SS..Hα-helixtrans-66.4-42.3176.5-71.1169-164.400111.8Q292 P293 A299 K300Q292-E296 PolarHBondContact NE2-OE1 3.5Å; Q292-E296 WeakPolarHBondContact O-CG 3.5Å; Q292-E296 PolarHBondContact O-N 3.48Å; P293-E296 PolarHBondContact O-N 3.39Å; E296-A299 PolarHBondContact O-N 3.02Å; E296-K300 WeakPolarHBondContact O-CB 3.33Å; E296-K300 PolarHBondContact O-N 3.33Å
297A96.3Very high95.5Very high57 Ų5798 Ų9847%0.47150%0.498SS..Hα-helixtrans-64.4-39.3175.200000112P293 L294 K300 A301P293-A297 VanDerWaalsContact O-CB 3.24Å; P293-A297 WeakPolarHBondContact O-CB 3.46Å; P293-A297 PolarHBondContact O-N 3.47Å; L294-A297 PolarHBondContact O-N 2.68Å; A297-K300 PolarHBondContact O-N 3.15Å; A297-A301 WeakPolarHBondContact O-CB 3.39Å; A297-A301 PolarHBondContact O-N 3.29Å
298L96.6Very high95.6Very high103 Ų10398.4 Ų98.454%0.53950%0.503SS..Hα-helixtrans-64.7-49.1174.9-178.663.6000111.2L294 R295 K300 A301 E302L294-L298 VanDerWaalsContact O-CB 3.28Å; L294-L298 WeakPolarHBondContact O-CB 3.5Å; L294-L298 PolarHBondContact O-N 2.84Å; R295-L298 PolarHBondContact O-N 2.96Å; L298-K300 VanDerWaalsContact C-N 3.27Å; L298-K300 PolarHBondContact O-N 3.06Å; L298-A301 PolarHBondContact O-N 3.38Å; L298-A301 VanDerWaalsContact O-N 3.16Å; L298-E302 WeakPolarHBondContact O-CG 3.38Å; L298-E302 PolarHBondContact O-N 3.09Å
299A96.6Very high95.8Very high50 Ų5093.7 Ų93.741%0.41350%0.496SS..Hα-helixtrans-57.9-42.5176.700000111.2R295 E296 E302 T303R295-A299 WeakPolarHBondContact O-CB 3.22Å; R295-A299 PolarHBondContact O-N 3.5Å; E296-A299 PolarHBondContact O-N 3.02Å; A299-E302 PolarHBondContact O-N 3.34Å; A299-T303 WeakPolarHBondContact O-CG2 3.47Å; A299-T303 PolarHBondContact O-N 2.93Å; A299-T303 PolarHBondContact O-OG1 3.33Å
300K96.9Very high96Very high133 Ų13394.4 Ų94.458%0.57850%0.501SS*.Hα-helixtrans-61.7-49.8174.5-173.7-178.6176.4-174.20111.7E296 A297 L298 E302 T303 D304E296-K300 WeakPolarHBondContact O-CB 3.33Å; E296-K300 PolarHBondContact O-N 3.33Å; A297-K300 PolarHBondContact O-N 3.15Å; L298-K300 VanDerWaalsContact C-N 3.27Å; L298-K300 PolarHBondContact O-N 3.06Å; K300-E302 VanDerWaalsContact C-N 3.27Å; K300-E302 PolarHBondContact O-N 3.38Å; K300-T303 WeakPolarHBondContact CA-OG1 3.31Å; K300-T303 PolarHBondContact O-N 2.88Å; K300-T303 VanDerWaalsContact O-N 3.11Å; K300-T303 PolarHBondContact O-OG1 3.37Å; K300-D304 PolarHBondContact O-N 2.89Å
301A95.7Very high96.1Very high55 Ų5595.6 Ų95.646%0.45550%0.502SS..Hα-helixtrans-60-37.3178.700000112.4A297 L298 D304 R305A297-A301 WeakPolarHBondContact O-CB 3.39Å; A297-A301 PolarHBondContact O-N 3.29Å; L298-A301 PolarHBondContact O-N 3.38Å; L298-A301 VanDerWaalsContact O-N 3.16Å; A301-D304 PolarHBondContact O-N 3.12Å; A301-R305 VanDerWaalsContact O-CB 3.26Å; A301-R305 WeakPolarHBondContact O-CB 3.4Å; A301-R305 PolarHBondContact O-N 3.25Å
302E96.8Very high96.2Very high101 Ų10199.3 Ų99.347%0.47252%0.519SS..Hα-helixtrans-64.8-43.9173.6-75.1179174.400112L298 A299 K300 R305 N306L298-E302 WeakPolarHBondContact O-CG 3.38Å; L298-E302 PolarHBondContact O-N 3.09Å; A299-E302 PolarHBondContact O-N 3.34Å; K300-E302 VanDerWaalsContact C-N 3.27Å; K300-E302 PolarHBondContact O-N 3.38Å; E302-R305 PolarHBondContact O-N 2.91Å; E302-N306 WeakPolarHBondContact O-CB 3.37Å; E302-N306 PolarHBondContact O-N 3.32Å; E302-N306 PolarHBondContact O-ND2 3.36Å; E302-N306 PolarHBondContact O-OD1 3.1Å
303T96.4Very high96.4Very high85 Ų8597.6 Ų97.652%0.52152%0.522SS..Hα-helixtrans-63.1-42.3175.559.40000112.1A299 K300 N306 R307A299-T303 WeakPolarHBondContact O-CG2 3.47Å; A299-T303 PolarHBondContact O-N 2.93Å; A299-T303 PolarHBondContact O-OG1 3.33Å; K300-T303 WeakPolarHBondContact CA-OG1 3.31Å; K300-T303 PolarHBondContact O-N 2.88Å; K300-T303 VanDerWaalsContact O-N 3.11Å; K300-T303 PolarHBondContact O-OG1 3.37Å; T303-N306 PolarHBondContact O-N 3.19Å; T303-R307 WeakPolarHBondContact O-CB 3.34Å; T303-R307 PolarHBondContact O-N 3.22Å
304D96Very high96.5Very high74 Ų7496.9 Ų96.940%0.39652%0.519SS..Hα-helixtrans-65.1-43.7176.8-73.2-25.6000110.9K300 A301 N306 R307 S308K300-D304 PolarHBondContact O-N 2.89Å; A301-D304 PolarHBondContact O-N 3.12Å; D304-N306 PolarHBondContact O-N 3.45Å; D304-R307 WeakPolarHBondContact O-CB 3.42Å; D304-R307 PolarHBondContact O-N 2.94Å; D304-S308 PolarHBondContact O-N 3.37Å; D304-S308 PolarHBondContact O-OG 3.13Å
305R97.3Very high96.5Very high168 Ų16893.7 Ų93.763%0.63451%0.509SS*.Hα-helixtrans-59-46174.3-173.3-163.2731135.4111.6A301 E302 R307 S308 S309A301-R305 VanDerWaalsContact O-CB 3.26Å; A301-R305 WeakPolarHBondContact O-CB 3.4Å; A301-R305 PolarHBondContact O-N 3.25Å; E302-R305 PolarHBondContact O-N 2.91Å; R305-R307 VanDerWaalsContact C-N 3.31Å; R305-R307 PolarHBondContact O-N 3.46Å; R305-S308 PolarHBondContact O-N 3.48Å; R305-S309 VanDerWaalsContact O-CB 3.28Å; R305-S309 WeakPolarHBondContact O-CB 3.31Å; R305-S309 PolarHBondContact O-N 3.08Å
306N96.6Very high96.6Very high79 Ų7992.7 Ų92.742%0.42251%0.509SS..Hα-helixtrans-64.7-38.5178.8-68.5-16.4000111.1E302 T303 D304 S309 S310E302-N306 WeakPolarHBondContact O-CB 3.37Å; E302-N306 PolarHBondContact O-N 3.32Å; E302-N306 PolarHBondContact O-ND2 3.36Å; E302-N306 PolarHBondContact O-OD1 3.1Å; T303-N306 PolarHBondContact O-N 3.19Å; D304-N306 PolarHBondContact O-N 3.45Å; N306-S309 PolarHBondContact O-N 3.22Å; N306-S310 WeakPolarHBondContact O-CB 3.22Å; N306-S310 PolarHBondContact O-N 2.88Å; N306-S310 PolarHBondContact O-OG 2.91Å
307R97.1Very high96.7Very high160 Ų16093.8 Ų93.860%0.60451%0.512SS*.Hα-helixtrans-63.5-50.5174.2-176.1-179.5-177.7171.32.9111.6T303 D304 R305 S309 S310 Q311T303-R307 WeakPolarHBondContact O-CB 3.34Å; T303-R307 PolarHBondContact O-N 3.22Å; D304-R307 WeakPolarHBondContact O-CB 3.42Å; D304-R307 PolarHBondContact O-N 2.94Å; R305-R307 VanDerWaalsContact C-N 3.31Å; R305-R307 PolarHBondContact O-N 3.46Å; R307-S309 VanDerWaalsContact C-N 3.32Å; R307-S309 PolarHBondContact O-N 3.3Å; R307-S310 PolarHBondContact O-N 2.92Å; R307-Q311 WeakPolarHBondContact O-CG 3.15Å; R307-Q311 PolarHBondContact O-N 2.72Å
308S95.3Very high96.8Very high69 Ų6997 Ų9748%0.48352%0.518SS..Hα-helixtrans-61.8-39.8177-63.40000112D304 R305 S310 Q311 L312D304-S308 PolarHBondContact O-N 3.37Å; D304-S308 PolarHBondContact O-OG 3.13Å; R305-S308 PolarHBondContact O-N 3.48Å; S308-S310 VanDerWaalsContact C-N 3.33Å; S308-S310 PolarHBondContact O-N 2.92Å; S308-Q311 PolarHBondContact O-N 3Å; S308-L312 WeakPolarHBondContact O-CB 3.44Å; S308-L312 PolarHBondContact O-N 3.42Å
309S96.8Very high96.8Very high72 Ų7299 Ų9950%0.50352%0.522SS..Hα-helixtrans-62.2-40.4174.8-173.10000111.9R305 N306 R307 A313R305-S309 VanDerWaalsContact O-CB 3.28Å; R305-S309 WeakPolarHBondContact O-CB 3.31Å; R305-S309 PolarHBondContact O-N 3.08Å; N306-S309 PolarHBondContact O-N 3.22Å; R307-S309 VanDerWaalsContact C-N 3.32Å; R307-S309 PolarHBondContact O-N 3.3Å; S309-A313 WeakPolarHBondContact O-CB 3.49Å; S309-A313 PolarHBondContact O-N 3.22Å
310S97Very high96.9Very high78 Ų78101.6 Ų101.655%0.54553%0.526SS..Hα-helixtrans-67.5-42.7177.6-57.50000111.5N306 R307 S308 A313 S314N306-S310 WeakPolarHBondContact O-CB 3.22Å; N306-S310 PolarHBondContact O-N 2.88Å; N306-S310 PolarHBondContact O-OG 2.91Å; R307-S310 PolarHBondContact O-N 2.92Å; S308-S310 VanDerWaalsContact C-N 3.33Å; S308-S310 PolarHBondContact O-N 2.92Å; S310-A313 PolarHBondContact O-N 2.78Å; S310-S314 PolarHBondContact O-N 3.34Å; S310-S314 PolarHBondContact O-OG 3.37Å
311Q97.3Very high96.9Very high103 Ų10399.2 Ų99.248%0.48152%0.517SS..Hα-helixtrans-64.3-40.2175.7-72.6176.3-26.200112.4R307 S308 A313 S314 A315R307-Q311 WeakPolarHBondContact O-CG 3.15Å; R307-Q311 PolarHBondContact O-N 2.72Å; S308-Q311 PolarHBondContact O-N 3Å; Q311-A313 VanDerWaalsContact C-N 3.34Å; Q311-S314 PolarHBondContact O-N 3.47Å; Q311-S314 PolarHBondContact O-OG 3.02Å; Q311-A315 VanDerWaalsContact O-CB 3.26Å; Q311-A315 WeakPolarHBondContact O-CB 3.33Å; Q311-A315 PolarHBondContact O-N 3.07Å
312L97Very high96.9Very high132 Ų132100.1 Ų100.169%0.69151%0.512SS*.Hα-helixtrans-63.6-42.1175.1-171.180.8000110.9S308 K316S308-L312 WeakPolarHBondContact O-CB 3.44Å; S308-L312 PolarHBondContact O-N 3.42Å; L312-K316 VanDerWaalsContact O-CB 3.25Å; L312-K316 WeakPolarHBondContact O-CB 3.47Å; L312-K316 PolarHBondContact O-N 3.33Å
313A97.1Very high97Very high62 Ų6297.8 Ų97.851%0.51250%0.504SS..Hα-helixtrans-64.8-42.917800000112.1S309 S310 Q311 K317S309-A313 WeakPolarHBondContact O-CB 3.49Å; S309-A313 PolarHBondContact O-N 3.22Å; S310-A313 PolarHBondContact O-N 2.78Å; Q311-A313 VanDerWaalsContact C-N 3.34Å; A313-K317 WeakPolarHBondContact O-CB 3.47Å; A313-K317 PolarHBondContact O-N 2.87Å
314S97Very high97.1Very high55 Ų5598.7 Ų98.739%0.38550%0.503SS..Hα-helixtrans-65.6-46.5175.764.70000111.6S310 Q311 K316 K317 E318S310-S314 PolarHBondContact O-N 3.34Å; S310-S314 PolarHBondContact O-OG 3.37Å; Q311-S314 PolarHBondContact O-N 3.47Å; Q311-S314 PolarHBondContact O-OG 3.02Å; S314-K316 VanDerWaalsContact C-N 3.34Å; S314-K316 PolarHBondContact O-N 3.46Å; S314-K317 WeakPolarHBondContact O-CB 3.36Å; S314-K317 PolarHBondContact O-N 2.9Å; S314-K317 VanDerWaalsContact O-N 3.15Å; S314-E318 WeakPolarHBondContact O-CG 3.37Å; S314-E318 PolarHBondContact O-N 3.26Å
315A97Very high97.1Very high52 Ų52100.6 Ų100.643%0.4351%0.507SS..Hα-helixtrans-61.9-40.517800000112.3Q311 K317 E318 F319Q311-A315 VanDerWaalsContact O-CB 3.26Å; Q311-A315 WeakPolarHBondContact O-CB 3.33Å; Q311-A315 PolarHBondContact O-N 3.07Å; A315-K317 VanDerWaalsContact C-N 3.34Å; A315-K317 PolarHBondContact O-N 3.09Å; A315-E318 PolarHBondContact O-N 3.45Å; A315-F319 WeakPolarHBondContact O-CB 3.36Å; A315-F319 PolarHBondContact O-N 2.86Å
316K97.3Very high97.1Very high144 Ų14497.3 Ų97.363%0.62650%0.499SS*.Hα-helixtrans-62.4-42.5174.8-174.7177-179.7-179.90111.3L312 S314 Q320L312-K316 VanDerWaalsContact O-CB 3.25Å; L312-K316 WeakPolarHBondContact O-CB 3.47Å; L312-K316 PolarHBondContact O-N 3.33Å; S314-K316 VanDerWaalsContact C-N 3.34Å; S314-K316 PolarHBondContact O-N 3.46Å; K316-Q320 WeakPolarHBondContact O-CB 3.34Å; K316-Q320 PolarHBondContact O-N 3.24Å
317K97.6Very high97.2Very high137 Ų13799.5 Ų99.560%0.59651%0.507SS*.Hα-helixtrans-64.1-44.7177.1-174.5-179.4178.1-177.70111.7A313 S314 A315 Q320 Q321A313-K317 WeakPolarHBondContact O-CB 3.47Å; A313-K317 PolarHBondContact O-N 2.87Å; S314-K317 WeakPolarHBondContact O-CB 3.36Å; S314-K317 PolarHBondContact O-N 2.9Å; S314-K317 VanDerWaalsContact O-N 3.15Å; A315-K317 VanDerWaalsContact C-N 3.34Å; A315-K317 PolarHBondContact O-N 3.09Å; K317-Q320 PolarHBondContact O-N 3.49Å; K317-Q321 WeakPolarHBondContact O-CG 3.47Å; K317-Q321 PolarHBondContact O-N 3.48Å
318E97.6Very high97.2Very high126 Ų12695.8 Ų95.859%0.58950%0.502SS*.Hα-helixtrans-62.5-45.3177-73.8170.4-16400111.7S314 A315 Q320 Q321 E322S314-E318 WeakPolarHBondContact O-CG 3.37Å; S314-E318 PolarHBondContact O-N 3.26Å; A315-E318 PolarHBondContact O-N 3.45Å; E318-Q320 VanDerWaalsContact C-N 3.34Å; E318-Q320 PolarHBondContact O-N 2.89Å; E318-Q321 PolarHBondContact O-N 3.37Å; E318-E322 PolarHBondContact O-N 2.83Å
319F97.2Very high97.3Very high143 Ų14397.7 Ų97.763%0.62750%0.498SS*.Hα-helixtrans-59.8-44.7175.4-179.8-103000111.7A315 Q321 E322 V323A315-F319 WeakPolarHBondContact O-CB 3.36Å; A315-F319 PolarHBondContact O-N 2.86Å; F319-Q321 VanDerWaalsContact C-N 3.35Å; F319-Q321 PolarHBondContact O-N 3.49Å; F319-E322 PolarHBondContact O-N 3.38Å; F319-V323 HydrophobicContact CD1-CG2 4.14Å; F319-V323 HydrophobicContact CD2-CG2 4.49Å; F319-V323 HydrophobicContact CE1-CG2 3.72Å; F319-V323 HydrophobicContact CE2-CG2 4.1Å; F319-V323 HydrophobicContact CZ-CG2 3.7Å; F319-V323 VanDerWaalsContact O-CG2 3.31Å; F319-V323 WeakPolarHBondContact O-CG2 3.32Å; F319-V323 PolarHBondContact O-N 3.44Å
320Q97.4Very high97.3Very high105 Ų10599.8 Ų99.849%0.49150%0.502SS..Hα-helixtrans-59.1-46.2177-160.5102.321.600111.4K316 K317 E318 E322 V323 E324K316-Q320 WeakPolarHBondContact O-CB 3.34Å; K316-Q320 PolarHBondContact O-N 3.24Å; K317-Q320 PolarHBondContact O-N 3.49Å; E318-Q320 VanDerWaalsContact C-N 3.34Å; E318-Q320 PolarHBondContact O-N 2.89Å; Q320-E322 VanDerWaalsContact C-N 3.34Å; Q320-E322 PolarHBondContact O-N 2.73Å; Q320-V323 PolarHBondContact O-N 3.44Å; Q320-E324 WeakPolarHBondContact O-CG 3.49Å; Q320-E324 PolarHBondContact O-N 3.47Å
321Q97.5Very high97.4Very high84 Ų8498.9 Ų98.939%0.39350%0.498SS..Hα-helixtrans-63.1-39177-73179.1-6.200112.3K317 E318 F319 E324 K325K317-Q321 WeakPolarHBondContact O-CG 3.47Å; K317-Q321 PolarHBondContact O-N 3.48Å; E318-Q321 PolarHBondContact O-N 3.37Å; F319-Q321 VanDerWaalsContact C-N 3.35Å; F319-Q321 PolarHBondContact O-N 3.49Å; Q321-E324 PolarHBondContact O-N 3.42Å; Q321-K325 WeakPolarHBondContact O-CB 3.39Å; Q321-K325 VanDerWaalsContact O-CG 3.28Å; Q321-K325 WeakPolarHBondContact O-CG 3.17Å; Q321-K325 PolarHBondContact O-N 3.45Å
322E96.9Very high97.4Very high73 Ų73100 Ų10034%0.34150%0.504SS..Hα-helixtrans-71-36.2178.5-161.656.2-144.100111.8E318 F319 Q320 K325 H326 R329E318-E322 PolarHBondContact O-N 2.83Å; F319-E322 PolarHBondContact O-N 3.38Å; Q320-E322 VanDerWaalsContact C-N 3.34Å; Q320-E322 PolarHBondContact O-N 2.73Å; E322-K325 PolarHBondContact O-N 3.03Å; E322-K325 IonicContact OE2-NZ 3.65Å; E322-H326 WeakPolarHBondContact O-CB 3.32Å; E322-H326 PolarHBondContact O-CD2 2.92Å; E322-H326 PolarHBondContact O-N 3.1Å; E322-H326 IonicContact OE1-CD2 2.85Å; E322-H326 IonicContact OE1-NE2 3.93Å; E322-R329 IonicContact OE1-CZ 3.98Å; E322-R329 IonicContact OE1-NH2 3.64Å; E322-R329 PolarHBondContact OE1-NH2 2.88Å
323V97.7Very high97.4Very high53 Ų5399.3 Ų99.332%0.32150%0.5SS..Hα-helixtrans-61.5-46.9171.4169.90000110.9F319 Q320 H326 Q327F319-V323 HydrophobicContact CD1-CG2 4.14Å; F319-V323 HydrophobicContact CD2-CG2 4.49Å; F319-V323 HydrophobicContact CE1-CG2 3.72Å; F319-V323 HydrophobicContact CE2-CG2 4.1Å; F319-V323 HydrophobicContact CZ-CG2 3.7Å; F319-V323 VanDerWaalsContact O-CG2 3.31Å; F319-V323 WeakPolarHBondContact O-CG2 3.32Å; F319-V323 PolarHBondContact O-N 3.44Å; Q320-V323 PolarHBondContact O-N 3.44Å; V323-H326 PolarHBondContact O-N 2.64Å; V323-Q327 HydrophobicContact CG1-CG 4.5Å; V323-Q327 WeakPolarHBondContact O-CG 3.49Å; V323-Q327 PolarHBondContact O-N 2.94Å
324E97.7Very high97.5Very high104 Ų104102 Ų10249%0.48650%0.502SS..Hα-helixtrans-61-45.9176.8-73.5169.4-16900111.5Q320 Q321 H326 Q327 V328Q320-E324 WeakPolarHBondContact O-CG 3.49Å; Q320-E324 PolarHBondContact O-N 3.47Å; Q321-E324 PolarHBondContact O-N 3.42Å; E324-H326 VanDerWaalsContact C-N 3.32Å; E324-H326 PolarHBondContact O-N 3.27Å; E324-Q327 PolarHBondContact O-N 2.94Å; E324-V328 WeakPolarHBondContact O-CG2 3.33Å; E324-V328 PolarHBondContact O-N 3.25Å
325K97.8Very high97.5Very high113 Ų113102.7 Ų102.749%0.49151%0.507SS..Hα-helixtrans-60.8-40.9174.5-73.5173.2-169.71690112.2Q321 E322 R329Q321-K325 WeakPolarHBondContact O-CB 3.39Å; Q321-K325 VanDerWaalsContact O-CG 3.28Å; Q321-K325 WeakPolarHBondContact O-CG 3.17Å; Q321-K325 PolarHBondContact O-N 3.45Å; E322-K325 PolarHBondContact O-N 3.03Å; E322-K325 IonicContact OE2-NZ 3.65Å; K325-R329 WeakPolarHBondContact O-CB 3.33Å; K325-R329 WeakPolarHBondContact O-CG 3.46Å; K325-R329 PolarHBondContact O-N 3.04Å; K325-R329 PolarHBondContact O-NE 3.09Å
326H96.5Very high97.5Very high99 Ų99104 Ų10446%0.45851%0.513SS..Hα-helixtrans-64.5-43.2175.4-92.9-65.8000111.8E322 V323 E324 V328 R329 M330E322-H326 WeakPolarHBondContact O-CB 3.32Å; E322-H326 PolarHBondContact O-CD2 2.92Å; E322-H326 PolarHBondContact O-N 3.1Å; E322-H326 IonicContact OE1-CD2 2.85Å; E322-H326 IonicContact OE1-NE2 3.93Å; V323-H326 PolarHBondContact O-N 2.64Å; E324-H326 VanDerWaalsContact C-N 3.32Å; E324-H326 PolarHBondContact O-N 3.27Å; H326-V328 PolarHBondContact O-N 2.65Å; H326-R329 PolarHBondContact CD2-NH2 3.28Å; H326-R329 PolarHBondContact CE1-NH2 2.64Å; H326-R329 PolarHBondContact NE2-NH2 2.59Å; H326-R329 PolarHBondContact O-N 2.82Å; H326-M330 WeakPolarHBondContact O-CB 3.42Å; H326-M330 VanDerWaalsContact O-CG 3.26Å; H326-M330 WeakPolarHBondContact O-CG 3.4Å; H326-M330 PolarHBondContact O-N 2.9Å
327Q97.8Very high97.5Very high125 Ų125101.9 Ų101.958%0.58451%0.508SS*.Hα-helixtrans-60.8-44.6176.6-75.2175.5-1.400111.8V323 E324 M330 A331V323-Q327 HydrophobicContact CG1-CG 4.5Å; V323-Q327 WeakPolarHBondContact O-CG 3.49Å; V323-Q327 PolarHBondContact O-N 2.94Å; E324-Q327 PolarHBondContact O-N 2.94Å; Q327-M330 PolarHBondContact O-N 2.99Å; Q327-A331 WeakPolarHBondContact O-CB 3.35Å; Q327-A331 PolarHBondContact O-N 3.08Å
328V97.8Very high97.6Very high83 Ų8399.5 Ų99.550%0.50350%0.499SS..Hα-helixtrans-62.2-45.7175.81740000111.2E324 H326 M330 A331 Q332E324-V328 WeakPolarHBondContact O-CG2 3.33Å; E324-V328 PolarHBondContact O-N 3.25Å; H326-V328 PolarHBondContact O-N 2.65Å; V328-M330 VanDerWaalsContact C-N 3.35Å; V328-M330 PolarHBondContact O-N 2.69Å; V328-A331 PolarHBondContact O-N 2.93Å; V328-Q332 HydrophobicContact CG1-CG 4.49Å; V328-Q332 WeakPolarHBondContact O-CB 3.32Å; V328-Q332 WeakPolarHBondContact O-CG 3.4Å; V328-Q332 PolarHBondContact O-N 3.28Å
329R97.9Very high97.6Very high109 Ų10996.6 Ų96.641%0.41149%0.49SS..Hα-helixtrans-61.1-42.5176.6-77.6-175.8-71.1-164.2-3.5112E322 K325 H326 Q332 L333E322-R329 IonicContact OE1-CZ 3.98Å; E322-R329 IonicContact OE1-NH2 3.64Å; E322-R329 PolarHBondContact OE1-NH2 2.88Å; K325-R329 WeakPolarHBondContact O-CB 3.33Å; K325-R329 WeakPolarHBondContact O-CG 3.46Å; K325-R329 PolarHBondContact O-N 3.04Å; K325-R329 PolarHBondContact O-NE 3.09Å; H326-R329 PolarHBondContact CD2-NH2 3.28Å; H326-R329 PolarHBondContact CE1-NH2 2.64Å; H326-R329 PolarHBondContact NE2-NH2 2.59Å; H326-R329 PolarHBondContact O-N 2.82Å; R329-Q332 PolarHBondContact O-N 3.3Å; R329-L333 WeakPolarHBondContact O-CB 3.46Å; R329-L333 VanDerWaalsContact O-CG 3.3Å; R329-L333 WeakPolarHBondContact O-CG 3.49Å; R329-L333 PolarHBondContact O-N 3.1Å
330M97.4Very high97.5Very high116 Ų11692.2 Ų92.257%0.57148%0.48SS*.Hα-helixtrans-62.2-48.3177.2-74.6-59.8-60.300111.3H326 Q327 V328 Q332 L333 E334H326-M330 WeakPolarHBondContact O-CB 3.42Å; H326-M330 VanDerWaalsContact O-CG 3.26Å; H326-M330 WeakPolarHBondContact O-CG 3.4Å; H326-M330 PolarHBondContact O-N 2.9Å; Q327-M330 PolarHBondContact O-N 2.99Å; V328-M330 VanDerWaalsContact C-N 3.35Å; V328-M330 PolarHBondContact O-N 2.69Å; M330-Q332 VanDerWaalsContact C-N 3.33Å; M330-Q332 PolarHBondContact O-N 3.48Å; M330-L333 PolarHBondContact O-N 3.29Å; M330-E334 WeakPolarHBondContact O-CB 3.29Å; M330-E334 PolarHBondContact O-N 2.92Å
331A97.8Very high97.6Very high58 Ų5890.9 Ų90.948%0.47947%0.474SS..Hα-helixtrans-61.9-39.1177.700000112.5Q327 V328 E334 S335Q327-A331 WeakPolarHBondContact O-CB 3.35Å; Q327-A331 PolarHBondContact O-N 3.08Å; V328-A331 PolarHBondContact O-N 2.93Å; A331-E334 PolarHBondContact O-N 2.95Å; A331-S335 WeakPolarHBondContact O-CB 3.17Å; A331-S335 PolarHBondContact O-N 3.13Å
332Q97.8Very high97.6Very high128 Ų12892.4 Ų92.460%0.59848%0.476SS*.Hα-helixtrans-64.8-45.4175-77178.2-10.500112.3V328 R329 M330 E334 S335 S336V328-Q332 HydrophobicContact CG1-CG 4.49Å; V328-Q332 WeakPolarHBondContact O-CB 3.32Å; V328-Q332 WeakPolarHBondContact O-CG 3.4Å; V328-Q332 PolarHBondContact O-N 3.28Å; R329-Q332 PolarHBondContact O-N 3.3Å; M330-Q332 VanDerWaalsContact C-N 3.33Å; M330-Q332 PolarHBondContact O-N 3.48Å; Q332-E334 VanDerWaalsContact C-N 3.33Å; Q332-S335 PolarHBondContact O-N 2.93Å; Q332-S336 WeakPolarHBondContact O-CB 3.46Å; Q332-S336 PolarHBondContact O-N 3.24Å
333L97.6Very high97.6Very high116 Ų11692.2 Ų92.261%0.60748%0.48SS*.Hα-helixtrans-63.5-40.5177.2-73.9172.6000111.5R329 M330 S336 L337R329-L333 WeakPolarHBondContact O-CB 3.46Å; R329-L333 VanDerWaalsContact O-CG 3.3Å; R329-L333 WeakPolarHBondContact O-CG 3.49Å; R329-L333 PolarHBondContact O-N 3.1Å; M330-L333 PolarHBondContact O-N 3.29Å; L333-S336 PolarHBondContact O-N 2.93Å; L333-L337 WeakPolarHBondContact O-CB 3.35Å; L333-L337 PolarHBondContact O-N 2.89Å
334E97.9Very high97.5Very high119 Ų11992.9 Ų92.956%0.55649%0.487SS*.Hα-helixtrans-66.4-43.1178-166.8168.2-164.500111.8M330 A331 Q332 S336 L337 Q338M330-E334 WeakPolarHBondContact O-CB 3.29Å; M330-E334 PolarHBondContact O-N 2.92Å; A331-E334 PolarHBondContact O-N 2.95Å; Q332-E334 VanDerWaalsContact C-N 3.33Å; E334-S336 VanDerWaalsContact C-N 3.34Å; E334-S336 PolarHBondContact O-N 3.26Å; E334-L337 PolarHBondContact O-N 3.48Å; E334-Q338 WeakPolarHBondContact O-CG 3.43Å; E334-Q338 PolarHBondContact O-N 3Å
335S97.5Very high97.6Very high70 Ų7094.3 Ų94.349%0.4949%0.488SS..Hα-helixtrans-62.7-40.4173.1-176.40000112.2A331 Q332 T339A331-S335 WeakPolarHBondContact O-CB 3.17Å; A331-S335 PolarHBondContact O-N 3.13Å; Q332-S335 PolarHBondContact O-N 2.93Å; S335-T339 WeakPolarHBondContact O-CB 3.45Å; S335-T339 PolarHBondContact O-N 3.13Å; S335-T339 PolarHBondContact O-OG1 3.46Å
336S97.5Very high97.6Very high78 Ų7893.2 Ų93.255%0.54548%0.484SS..Hα-helixtrans-64.2-45.8176.1-175.40000111.3Q332 L333 E334 T339 A340Q332-S336 WeakPolarHBondContact O-CB 3.46Å; Q332-S336 PolarHBondContact O-N 3.24Å; L333-S336 PolarHBondContact O-N 2.93Å; E334-S336 VanDerWaalsContact C-N 3.34Å; E334-S336 PolarHBondContact O-N 3.26Å; S336-T339 PolarHBondContact O-N 2.78Å; S336-A340 WeakPolarHBondContact O-CB 3.46Å; S336-A340 PolarHBondContact O-N 3.27Å
337L97.8Very high97.6Very high101 Ų10191.9 Ų91.953%0.52948%0.483SS..Hα-helixtrans-59.8-49.7176.8-179.666000111.3L333 E334 T339 A340 E341L333-L337 WeakPolarHBondContact O-CB 3.35Å; L333-L337 PolarHBondContact O-N 2.89Å; E334-L337 PolarHBondContact O-N 3.48Å; L337-T339 PolarHBondContact O-N 3.03Å; L337-A340 PolarHBondContact O-N 3.41Å; L337-E341 WeakPolarHBondContact O-CG 3.42Å; L337-E341 PolarHBondContact O-N 3.45Å
338Q97.8Very high97.6Very high86 Ų8691.8 Ų91.840%0.40248%0.483SS..Hα-helixtrans-59.8-37.2177.1-73.8-175.87.900112.2E334 R342E334-Q338 WeakPolarHBondContact O-CG 3.43Å; E334-Q338 PolarHBondContact O-N 3Å; Q338-R342 WeakPolarHBondContact O-CG 3.37Å; Q338-R342 PolarHBondContact O-N 2.95Å
339T97.6Very high97.6Very high66 Ų6693.9 Ų93.941%0.40549%0.487SS..Hα-helixtrans-67.9-45177.5-54.10000110.9S335 S336 L337 E341 R342 T343S335-T339 WeakPolarHBondContact O-CB 3.45Å; S335-T339 PolarHBondContact O-N 3.13Å; S335-T339 PolarHBondContact O-OG1 3.46Å; S336-T339 PolarHBondContact O-N 2.78Å; L337-T339 PolarHBondContact O-N 3.03Å; T339-E341 VanDerWaalsContact C-N 3.34Å; T339-E341 PolarHBondContact O-N 2.89Å; T339-R342 PolarHBondContact O-N 3.24Å; T339-T343 WeakPolarHBondContact O-CG2 3.32Å; T339-T343 PolarHBondContact O-N 3.14Å; T339-T343 PolarHBondContact O-OG1 3.19Å
340A96.9Very high97.6Very high50 Ų5096 Ų9641%0.41350%0.495SS..Hα-helixtrans-62.6-38.317500000112.6S336 L337 T343 S344S336-A340 WeakPolarHBondContact O-CB 3.46Å; S336-A340 PolarHBondContact O-N 3.27Å; L337-A340 PolarHBondContact O-N 3.41Å; A340-T343 WeakPolarHBondContact CA-OG1 3.38Å; A340-T343 PolarHBondContact O-OG1 3.47Å; A340-S344 VanDerWaalsContact O-CB 3.22Å; A340-S344 WeakPolarHBondContact O-CB 3.45Å; A340-S344 PolarHBondContact O-N 2.92Å
341E97.7Very high97.6Very high78 Ų7895.8 Ų95.836%0.36450%0.496SS..Hα-helixtrans-65.4-42.6174.9-76.6-174.5-174.800112.4L337 T339 S344 R345L337-E341 WeakPolarHBondContact O-CG 3.42Å; L337-E341 PolarHBondContact O-N 3.45Å; T339-E341 VanDerWaalsContact C-N 3.34Å; T339-E341 PolarHBondContact O-N 2.89Å; E341-S344 PolarHBondContact O-N 3.16Å; E341-R345 WeakPolarHBondContact O-CG 3.33Å; E341-R345 PolarHBondContact O-N 3.01Å; E341-R345 IonicContact OE2-CZ 3.58Å; E341-R345 IonicContact OE2-NH1 3.68Å; E341-R345 IonicContact OE2-NH2 2.75Å; E341-R345 PolarHBondContact OE2-NH2 2.97Å
342R98Very high97.6Very high116 Ų11698 Ų9844%0.43850%0.496SS..Hα-helixtrans-62-49.8176.2-73.5-176.8-147.3100.92.7110.8Q338 T339 S344 R345 E346Q338-R342 WeakPolarHBondContact O-CG 3.37Å; Q338-R342 PolarHBondContact O-N 2.95Å; T339-R342 PolarHBondContact O-N 3.24Å; R342-S344 VanDerWaalsContact C-N 3.31Å; R342-S344 PolarHBondContact O-N 2.93Å; R342-R345 PolarHBondContact O-N 3.3Å; R342-R345 VanDerWaalsContact O-N 3.15Å; R342-E346 WeakPolarHBondContact O-CG 3.48Å; R342-E346 PolarHBondContact O-N 3.35Å
343T97.4Very high97.7Very high69 Ų6996.9 Ų96.942%0.42349%0.491SS..Hα-helixtrans-63.8-38.1179.657.50000111.6T339 A340 E346 T347T339-T343 WeakPolarHBondContact O-CG2 3.32Å; T339-T343 PolarHBondContact O-N 3.14Å; T339-T343 PolarHBondContact O-OG1 3.19Å; A340-T343 WeakPolarHBondContact CA-OG1 3.38Å; A340-T343 PolarHBondContact O-OG1 3.47Å; T343-E346 PolarHBondContact O-N 3.43Å; T343-T347 WeakPolarHBondContact O-CB 3.39Å; T343-T347 WeakPolarHBondContact O-CG2 3.43Å; T343-T347 PolarHBondContact O-N 2.92Å; T343-T347 PolarHBondContact O-OG1 3Å; T343-T347 VanDerWaalsContact O-OG1 3.09Å
344S96.5Very high97.7Very high67 Ų6797.2 Ų97.247%0.46949%0.489SS..Hα-helixtrans-63-40.3173.4-175.50000112.8A340 E341 R342 T347 Q348A340-S344 VanDerWaalsContact O-CB 3.22Å; A340-S344 WeakPolarHBondContact O-CB 3.45Å; A340-S344 PolarHBondContact O-N 2.92Å; E341-S344 PolarHBondContact O-N 3.16Å; R342-S344 VanDerWaalsContact C-N 3.31Å; R342-S344 PolarHBondContact O-N 2.93Å; S344-T347 WeakPolarHBondContact CA-OG1 3.44Å; S344-T347 PolarHBondContact O-OG1 3.34Å; S344-Q348 VanDerWaalsContact O-CB 3.28Å; S344-Q348 WeakPolarHBondContact O-CB 3.38Å; S344-Q348 PolarHBondContact O-N 3.5Å
345R98.3Very high97.7Very high134 Ų13499.6 Ų99.651%0.50649%0.493SS..Hα-helixtrans-67.6-42.8176-74-178.4-158.4114.29.8111.2E341 R342 Q348 Q349E341-R345 WeakPolarHBondContact O-CG 3.33Å; E341-R345 PolarHBondContact O-N 3.01Å; E341-R345 IonicContact OE2-CZ 3.58Å; E341-R345 IonicContact OE2-NH1 3.68Å; E341-R345 IonicContact OE2-NH2 2.75Å; E341-R345 PolarHBondContact OE2-NH2 2.97Å; R342-R345 PolarHBondContact O-N 3.3Å; R342-R345 VanDerWaalsContact O-N 3.15Å; R345-Q348 PolarHBondContact O-N 3.27Å; R345-Q349 WeakPolarHBondContact O-CB 3.41Å; R345-Q349 WeakPolarHBondContact O-CG 3.41Å; R345-Q349 PolarHBondContact O-N 2.98Å
346E97.9Very high97.7Very high89 Ų89101.1 Ų101.142%0.41649%0.491SS..Hα-helixtrans-63.6-44.2177.7-73.4176.1-159.500112.3R342 T343 Q349 R350R342-E346 WeakPolarHBondContact O-CG 3.48Å; R342-E346 PolarHBondContact O-N 3.35Å; T343-E346 PolarHBondContact O-N 3.43Å; E346-Q349 PolarHBondContact O-N 3.39Å; E346-R350 WeakPolarHBondContact O-CG 3.15Å; E346-R350 PolarHBondContact O-N 3.34Å; E346-R350 IonicContact OE2-NH2 3.77Å
347T96.8Very high97.8Very high71 Ų71101 Ų10144%0.43648%0.482SS..Hα-helixtrans-65.3-41.3177.457.10000110.9T343 S344 Q349 R350 L351T343-T347 WeakPolarHBondContact O-CB 3.39Å; T343-T347 WeakPolarHBondContact O-CG2 3.43Å; T343-T347 PolarHBondContact O-N 2.92Å; T343-T347 PolarHBondContact O-OG1 3Å; T343-T347 VanDerWaalsContact O-OG1 3.09Å; S344-T347 WeakPolarHBondContact CA-OG1 3.44Å; S344-T347 PolarHBondContact O-OG1 3.34Å; T347-Q349 PolarHBondContact O-N 3.46Å; T347-R350 PolarHBondContact O-N 2.85Å; T347-L351 WeakPolarHBondContact O-CB 3.27Å; T347-L351 VanDerWaalsContact O-CG 3.27Å; T347-L351 WeakPolarHBondContact O-CG 3.46Å; T347-L351 PolarHBondContact O-N 3.24Å
348Q97.4Very high97.8Very high124 Ų12498.9 Ų98.958%0.57948%0.475SS*.Hα-helixtrans-61.5-42.4174.8-175.9176.8-1.700112.1S344 R345 Q352S344-Q348 VanDerWaalsContact O-CB 3.28Å; S344-Q348 WeakPolarHBondContact O-CB 3.38Å; S344-Q348 PolarHBondContact O-N 3.5Å; R345-Q348 PolarHBondContact O-N 3.27Å; Q348-Q352 WeakPolarHBondContact O-CB 3.44Å; Q348-Q352 PolarHBondContact O-N 2.72Å
349Q98Very high97.8Very high127 Ų127100.1 Ų100.159%0.59348%0.479SS*.Hα-helixtrans-63.6-46.1175.7-76.5177.60.500111.7R345 E346 T347 L351 Q352 E353R345-Q349 WeakPolarHBondContact O-CB 3.41Å; R345-Q349 WeakPolarHBondContact O-CG 3.41Å; R345-Q349 PolarHBondContact O-N 2.98Å; E346-Q349 PolarHBondContact O-N 3.39Å; T347-Q349 PolarHBondContact O-N 3.46Å; Q349-L351 PolarHBondContact O-N 2.97Å; Q349-Q352 WeakPolarHBondContact O-CB 3.32Å; Q349-Q352 PolarHBondContact O-N 2.86Å; Q349-E353 PolarHBondContact O-N 3.41Å
350R98.3Very high97.8Very high154 Ų154103.7 Ų103.758%0.58149%0.486SS*.Hα-helixtrans-58.5-48.9176-71.8-179.2-144.9-173.46.3111.6E346 T347 Q352 E353 E354E346-R350 WeakPolarHBondContact O-CG 3.15Å; E346-R350 PolarHBondContact O-N 3.34Å; E346-R350 IonicContact OE2-NH2 3.77Å; T347-R350 PolarHBondContact O-N 2.85Å; R350-Q352 VanDerWaalsContact C-N 3.25Å; R350-Q352 PolarHBondContact O-N 3.2Å; R350-E353 WeakPolarHBondContact O-CB 3.46Å; R350-E353 PolarHBondContact O-N 3Å; R350-E353 VanDerWaalsContact O-N 3.11Å; R350-E354 WeakPolarHBondContact O-CG 3.45Å; R350-E354 PolarHBondContact O-N 3.12Å
351L97.9Very high97.9Very high110 Ų110106 Ų10658%0.57649%0.488SS*.Hα-helixtrans-60.3-36.1177.2-71.9172.3000112.2T347 Q349 R355T347-L351 WeakPolarHBondContact O-CB 3.27Å; T347-L351 VanDerWaalsContact O-CG 3.27Å; T347-L351 WeakPolarHBondContact O-CG 3.46Å; T347-L351 PolarHBondContact O-N 3.24Å; Q349-L351 PolarHBondContact O-N 2.97Å; L351-R355 VanDerWaalsContact O-CB 3.26Å; L351-R355 WeakPolarHBondContact O-CB 3.21Å; L351-R355 PolarHBondContact O-N 3.4Å
352Q98.1Very high97.9Very high104 Ų104106.1 Ų106.149%0.48649%0.49SS..Hα-helixtrans-68.9-39.6176.2-170.8177.80.200111.9Q348 Q349 R350 R355 K356Q348-Q352 WeakPolarHBondContact O-CB 3.44Å; Q348-Q352 PolarHBondContact O-N 2.72Å; Q349-Q352 WeakPolarHBondContact O-CB 3.32Å; Q349-Q352 PolarHBondContact O-N 2.86Å; R350-Q352 VanDerWaalsContact C-N 3.25Å; R350-Q352 PolarHBondContact O-N 3.2Å; Q352-R355 PolarHBondContact O-N 2.94Å; Q352-K356 WeakPolarHBondContact O-CG 3.45Å; Q352-K356 PolarHBondContact O-N 3.27Å
353E98.3Very high97.9Very high106 Ų106106 Ų10650%0.49550%0.497SS..Hα-helixtrans-66.1-46.7176.3-154.370.3-165.500111Q349 R350 R355 K356 Q357Q349-E353 PolarHBondContact O-N 3.41Å; R350-E353 WeakPolarHBondContact O-CB 3.46Å; R350-E353 PolarHBondContact O-N 3Å; R350-E353 VanDerWaalsContact O-N 3.11Å; E353-R355 VanDerWaalsContact C-N 3.31Å; E353-R355 PolarHBondContact O-N 3.32Å; E353-K356 WeakPolarHBondContact O-CB 3.41Å; E353-K356 PolarHBondContact O-N 2.91Å; E353-K356 VanDerWaalsContact O-N 3.12Å; E353-K356 IonicContact OE2-NZ 2.77Å; E353-Q357 WeakPolarHBondContact O-CB 3.49Å; E353-Q357 PolarHBondContact O-N 3.02Å
354E97.9Very high98Very high122 Ų122105.9 Ų105.957%0.5750%0.5SS*.Hα-helixtrans-58.3-42.1173.3-73.8174.9-178.500111.4R350 K356 Q357 S358R350-E354 WeakPolarHBondContact O-CG 3.45Å; R350-E354 PolarHBondContact O-N 3.12Å; E354-K356 PolarHBondContact O-N 2.6Å; E354-Q357 PolarHBondContact O-N 3.01Å; E354-S358 WeakPolarHBondContact O-CB 3.44Å; E354-S358 PolarHBondContact O-N 2.93Å
355R98Very high98Very high170 Ų170108.2 Ų108.264%0.64251%0.506SS*.Hα-helixtrans-63.4-40.6175.4-173.9179.5-177.1-167.51.4112.2L351 Q352 E353 Q357 K359L351-R355 VanDerWaalsContact O-CB 3.26Å; L351-R355 WeakPolarHBondContact O-CB 3.21Å; L351-R355 PolarHBondContact O-N 3.4Å; Q352-R355 PolarHBondContact O-N 2.94Å; E353-R355 VanDerWaalsContact C-N 3.31Å; E353-R355 PolarHBondContact O-N 3.32Å; R355-Q357 VanDerWaalsContact C-N 3.34Å; R355-K359 VanDerWaalsContact O-CG 3.29Å; R355-K359 WeakPolarHBondContact O-CG 3.4Å; R355-K359 PolarHBondContact O-N 3.4Å; R355-K359 VanDerWaalsContact O-N 3.1Å
356K98.2Very high98Very high101 Ų101106.9 Ų106.944%0.43951%0.506SS..Hα-helixtrans-66.5-39.5174.8-71.9172.5-172.81680111.1Q352 E353 E354 K359 R360Q352-K356 WeakPolarHBondContact O-CG 3.45Å; Q352-K356 PolarHBondContact O-N 3.27Å; E353-K356 WeakPolarHBondContact O-CB 3.41Å; E353-K356 PolarHBondContact O-N 2.91Å; E353-K356 VanDerWaalsContact O-N 3.12Å; E353-K356 IonicContact OE2-NZ 2.77Å; E354-K356 PolarHBondContact O-N 2.6Å; K356-K359 PolarHBondContact O-N 3.04Å; K356-R360 WeakPolarHBondContact O-CG 3.28Å; K356-R360 PolarHBondContact O-N 3.41Å; K356-R360 VanDerWaalsContact O-N 3.09Å
357Q98.4Very high98Very high76 Ų76107.5 Ų107.536%0.35551%0.509SS..Hα-helixtrans-63.9-51.6177.7-178.358.120.500111.4E353 E354 R355 K359 R360 E361E353-Q357 WeakPolarHBondContact O-CB 3.49Å; E353-Q357 PolarHBondContact O-N 3.02Å; E354-Q357 PolarHBondContact O-N 3.01Å; R355-Q357 VanDerWaalsContact C-N 3.34Å; Q357-K359 VanDerWaalsContact C-N 3.27Å; Q357-K359 PolarHBondContact O-N 2.8Å; Q357-R360 WeakPolarHBondContact O-CA 3.42Å; Q357-R360 WeakPolarHBondContact O-CB 3.25Å; Q357-R360 PolarHBondContact O-N 3.33Å; Q357-R360 VanDerWaalsContact OE1-CZ 3.22Å; Q357-E361 WeakPolarHBondContact CG-OE1 3.38Å; Q357-E361 PolarHBondContact NE2-OE1 3.47Å; Q357-E361 PolarHBondContact O-N 2.89Å
358S97.4Very high98.1Very high56 Ų56106.1 Ų106.139%0.39250%0.502SS..Hα-helixtrans-57.4-39.3176.1179.60000112E354 R360 E361 I362E354-S358 WeakPolarHBondContact O-CB 3.44Å; E354-S358 PolarHBondContact O-N 2.93Å; S358-R360 PolarHBondContact O-N 3.5Å; S358-E361 PolarHBondContact O-N 3.26Å; S358-I362 WeakPolarHBondContact O-CB 3.33Å; S358-I362 VanDerWaalsContact O-CG1 3.23Å; S358-I362 WeakPolarHBondContact O-CG1 3.39Å; S358-I362 PolarHBondContact O-N 3.3Å
359K98.3Very high98.1Very high113 Ų113104 Ų10449%0.49149%0.494SS..Hα-helixtrans-61.5-41.7172.7-77.2177.1178.5-170.20113.2R355 K356 Q357 E361 I362 L363R355-K359 VanDerWaalsContact O-CG 3.29Å; R355-K359 WeakPolarHBondContact O-CG 3.4Å; R355-K359 PolarHBondContact O-N 3.4Å; R355-K359 VanDerWaalsContact O-N 3.1Å; K356-K359 PolarHBondContact O-N 3.04Å; Q357-K359 VanDerWaalsContact C-N 3.27Å; Q357-K359 PolarHBondContact O-N 2.8Å; K359-E361 VanDerWaalsContact C-N 3.34Å; K359-I362 PolarHBondContact O-N 2.95Å; K359-L363 WeakPolarHBondContact O-CG 3.4Å; K359-L363 PolarHBondContact O-N 2.9Å
360R98.4Very high98.2Very high141 Ų141102.4 Ų102.453%0.53249%0.489SS..Hα-helixtrans-63.9-42.1176.4-74.5-176.4-76.4-175.7-3.7111.1K356 Q357 S358 L363 S364K356-R360 WeakPolarHBondContact O-CG 3.28Å; K356-R360 PolarHBondContact O-N 3.41Å; K356-R360 VanDerWaalsContact O-N 3.09Å; Q357-R360 WeakPolarHBondContact O-CA 3.42Å; Q357-R360 WeakPolarHBondContact O-CB 3.25Å; Q357-R360 PolarHBondContact O-N 3.33Å; Q357-R360 VanDerWaalsContact OE1-CZ 3.22Å; S358-R360 PolarHBondContact O-N 3.5Å; R360-L363 PolarHBondContact O-N 3.46Å; R360-S364 WeakPolarHBondContact O-CB 3.31Å; R360-S364 PolarHBondContact O-N 3.13Å
361E98.3Very high98.2Very high98 Ų98100.2 Ų100.246%0.45848%0.481SS..Hα-helixtrans-64.3-44.4176.7-71.3167.6-169.600111.8Q357 S358 K359 L363 S364 L365Q357-E361 WeakPolarHBondContact CG-OE1 3.38Å; Q357-E361 PolarHBondContact NE2-OE1 3.47Å; Q357-E361 PolarHBondContact O-N 2.89Å; S358-E361 PolarHBondContact O-N 3.26Å; K359-E361 VanDerWaalsContact C-N 3.34Å; E361-L363 PolarHBondContact O-N 3.48Å; E361-S364 PolarHBondContact O-N 3.49Å; E361-L365 WeakPolarHBondContact O-CB 3.34Å; E361-L365 VanDerWaalsContact O-CG 3.31Å; E361-L365 WeakPolarHBondContact O-CG 3.48Å; E361-L365 PolarHBondContact O-N 2.99Å
362I98.1Very high98.2Very high81 Ų8199.9 Ų99.942%0.41548%0.479SS..Hα-helixtrans-56.9-50.2175.1-71164000110.5S358 K359 S364 L365 E366S358-I362 WeakPolarHBondContact O-CB 3.33Å; S358-I362 VanDerWaalsContact O-CG1 3.23Å; S358-I362 WeakPolarHBondContact O-CG1 3.39Å; S358-I362 PolarHBondContact O-N 3.3Å; K359-I362 PolarHBondContact O-N 2.95Å; I362-S364 VanDerWaalsContact C-N 3.34Å; I362-S364 PolarHBondContact O-N 2.92Å; I362-L365 PolarHBondContact O-N 3.27Å; I362-E366 HydrophobicContact CG2-CG 4.33Å; I362-E366 WeakPolarHBondContact O-CB 3.49Å; I362-E366 WeakPolarHBondContact O-CG 3.47Å; I362-E366 PolarHBondContact O-N 3.06Å
363L98.3Very high98.2Very high113 Ų113101.4 Ų101.459%0.59248%0.484SS*.Hα-helixtrans-61.3-41.3178.8-70.5170.8000112.1K359 R360 E361 L365 E366 E367K359-L363 WeakPolarHBondContact O-CG 3.4Å; K359-L363 PolarHBondContact O-N 2.9Å; R360-L363 PolarHBondContact O-N 3.46Å; E361-L363 PolarHBondContact O-N 3.48Å; L363-L365 VanDerWaalsContact C-N 3.34Å; L363-L365 PolarHBondContact O-N 3.02Å; L363-E366 PolarHBondContact O-N 2.84Å; L363-E367 WeakPolarHBondContact O-CB 3.43Å; L363-E367 PolarHBondContact O-N 3.35Å
364S98.4Very high98.2Very high67 Ų67101.9 Ų101.947%0.46949%0.486SS..Hα-helixtrans-64-39.5176.2-177.10000112.2R360 E361 I362 S368R360-S364 WeakPolarHBondContact O-CB 3.31Å; R360-S364 PolarHBondContact O-N 3.13Å; E361-S364 PolarHBondContact O-N 3.49Å; I362-S364 VanDerWaalsContact C-N 3.34Å; I362-S364 PolarHBondContact O-N 2.92Å; S364-S368 WeakPolarHBondContact O-CB 3.44Å; S364-S368 PolarHBondContact O-N 3.37Å
365L98.1Very high98.2Very high116 Ų116102.5 Ų102.561%0.60749%0.487SS*.Hα-helixtrans-69.4-42.5177.1-73.2173.5000111E361 I362 L363 E367 S368 N369E361-L365 WeakPolarHBondContact O-CB 3.34Å; E361-L365 VanDerWaalsContact O-CG 3.31Å; E361-L365 WeakPolarHBondContact O-CG 3.48Å; E361-L365 PolarHBondContact O-N 2.99Å; I362-L365 PolarHBondContact O-N 3.27Å; L363-L365 VanDerWaalsContact C-N 3.34Å; L363-L365 PolarHBondContact O-N 3.02Å; L365-E367 PolarHBondContact O-N 2.92Å; L365-S368 WeakPolarHBondContact CA-OG 3.34Å; L365-S368 PolarHBondContact O-N 3.47Å; L365-S368 PolarHBondContact O-OG 3.28Å; L365-N369 WeakPolarHBondContact O-CB 3.49Å; L365-N369 PolarHBondContact O-N 3.45Å
366E98.2Very high98.2Very high106 Ų10698.8 Ų98.850%0.49548%0.483SS..Hα-helixtrans-58.2-46.4174.5-75.8173.8171.100111.4I362 L363 S368 N369 I370I362-E366 HydrophobicContact CG2-CG 4.33Å; I362-E366 WeakPolarHBondContact O-CB 3.49Å; I362-E366 WeakPolarHBondContact O-CG 3.47Å; I362-E366 PolarHBondContact O-N 3.06Å; L363-E366 PolarHBondContact O-N 2.84Å; E366-S368 PolarHBondContact O-N 2.96Å; E366-N369 WeakPolarHBondContact O-CB 3.48Å; E366-N369 PolarHBondContact O-N 2.92Å; E366-N369 VanDerWaalsContact O-N 3.12Å; E366-I370 WeakPolarHBondContact O-CG1 3.33Å; E366-I370 PolarHBondContact O-N 3.36Å
367E98.3Very high98.2Very high102 Ų10299.6 Ų99.648%0.47749%0.488SS..Hα-helixtrans-62.8-41.4176.5-163.6-160.7-175.500111.8L363 L365 N369 I370 R371L363-E367 WeakPolarHBondContact O-CB 3.43Å; L363-E367 PolarHBondContact O-N 3.35Å; L365-E367 PolarHBondContact O-N 2.92Å; E367-N369 VanDerWaalsContact C-N 3.29Å; E367-N369 PolarHBondContact O-N 2.88Å; E367-I370 PolarHBondContact O-N 3.29Å; E367-R371 VanDerWaalsContact CD-NH2 3.33Å; E367-R371 PolarHBondContact O-N 2.91Å; E367-R371 IonicContact OE1-CZ 2.74Å; E367-R371 IonicContact OE1-NH1 3.75Å; E367-R371 PolarHBondContact OE1-NH1 3.23Å; E367-R371 IonicContact OE1-NH2 2.97Å; E367-R371 IonicContact OE2-CZ 3.04Å; E367-R371 IonicContact OE2-NH1 3.91Å; E367-R371 PolarHBondContact OE2-NH1 2.95Å; E367-R371 IonicContact OE2-NH2 3.57Å; E367-R371 PolarHBondContact OE2-NH2 3.48Å
368S98.2Very high98.2Very high41 Ų41101.1 Ų101.129%0.28750%0.498SS..Hα-helixtrans-62.9-36.4173.5800000112.5S364 L365 E366 R371 L372S364-S368 WeakPolarHBondContact O-CB 3.44Å; S364-S368 PolarHBondContact O-N 3.37Å; L365-S368 WeakPolarHBondContact CA-OG 3.34Å; L365-S368 PolarHBondContact O-N 3.47Å; L365-S368 PolarHBondContact O-OG 3.28Å; E366-S368 PolarHBondContact O-N 2.96Å; S368-R371 PolarHBondContact O-N 2.97Å; S368-L372 WeakPolarHBondContact O-CB 3.49Å; S368-L372 WeakPolarHBondContact O-CG 3.36Å; S368-L372 PolarHBondContact O-N 2.74Å
369N97.9Very high98.2Very high80 Ų80104.7 Ų104.743%0.42851%0.509SS..Hα-helixtrans-68.7-41.1178.8-160.9-70.9000111L365 E366 E367 L372 K373L365-N369 WeakPolarHBondContact O-CB 3.49Å; L365-N369 PolarHBondContact O-N 3.45Å; E366-N369 WeakPolarHBondContact O-CB 3.48Å; E366-N369 PolarHBondContact O-N 2.92Å; E366-N369 VanDerWaalsContact O-N 3.12Å; E367-N369 VanDerWaalsContact C-N 3.29Å; E367-N369 PolarHBondContact O-N 2.88Å; N369-L372 PolarHBondContact O-N 3.13Å; N369-K373 WeakPolarHBondContact O-CG 3.46Å; N369-K373 PolarHBondContact O-N 3.04Å; N369-K373 WeakPolarHBondContact OD1-CE 3.32Å
370I98.5Very high98.2Very high94 Ų94103.9 Ų103.948%0.48251%0.507SS..Hα-helixtrans-59.4-50.6172.8-67.1167000110.1E366 E367 L372 K373 E374E366-I370 WeakPolarHBondContact O-CG1 3.33Å; E366-I370 PolarHBondContact O-N 3.36Å; E367-I370 PolarHBondContact O-N 3.29Å; I370-L372 VanDerWaalsContact C-N 3.28Å; I370-L372 PolarHBondContact O-N 3.39Å; I370-K373 WeakPolarHBondContact O-CB 3.39Å; I370-K373 PolarHBondContact O-N 3.45Å; I370-K373 VanDerWaalsContact O-N 3.1Å; I370-E374 WeakPolarHBondContact O-CG 3.37Å; I370-E374 PolarHBondContact O-N 2.92Å
371R98.4Very high98.2Very high108 Ų108101.5 Ų101.541%0.40850%0.502SS..Hα-helixtrans-57.6-38.7176.5-74.8-173.9-77.9-106.4-5.3113.1E367 S368 K375E367-R371 VanDerWaalsContact CD-NH2 3.33Å; E367-R371 PolarHBondContact O-N 2.91Å; E367-R371 IonicContact OE1-CZ 2.74Å; E367-R371 IonicContact OE1-NH1 3.75Å; E367-R371 PolarHBondContact OE1-NH1 3.23Å; E367-R371 IonicContact OE1-NH2 2.97Å; E367-R371 IonicContact OE2-CZ 3.04Å; E367-R371 IonicContact OE2-NH1 3.91Å; E367-R371 PolarHBondContact OE2-NH1 2.95Å; E367-R371 IonicContact OE2-NH2 3.57Å; E367-R371 PolarHBondContact OE2-NH2 3.48Å; S368-R371 PolarHBondContact O-N 2.97Å; R371-K375 WeakPolarHBondContact O-CG 3.38Å; R371-K375 PolarHBondContact O-N 3.39Å; R371-K375 VanDerWaalsContact O-N 3.08Å
372L98.1Very high98.1Very high103 Ų103100.3 Ų100.354%0.53950%0.501SS..Hα-helixtrans-68.9-40.9176.7-75171.8000111.7S368 N369 I370 K375 V376S368-L372 WeakPolarHBondContact O-CB 3.49Å; S368-L372 WeakPolarHBondContact O-CG 3.36Å; S368-L372 PolarHBondContact O-N 2.74Å; N369-L372 PolarHBondContact O-N 3.13Å; I370-L372 VanDerWaalsContact C-N 3.28Å; I370-L372 PolarHBondContact O-N 3.39Å; L372-K375 PolarHBondContact O-N 3.37Å; L372-V376 WeakPolarHBondContact O-CG2 3.45Å; L372-V376 PolarHBondContact O-N 2.97Å
373K98.2Very high98.1Very high135 Ų135101.1 Ų101.159%0.58751%0.506SS*.Hα-helixtrans-61.1-44.2174.6-76.7173.5175.4170.70111.8N369 I370 K375 V376 Q377N369-K373 WeakPolarHBondContact O-CG 3.46Å; N369-K373 PolarHBondContact O-N 3.04Å; N369-K373 WeakPolarHBondContact OD1-CE 3.32Å; I370-K373 WeakPolarHBondContact O-CB 3.39Å; I370-K373 PolarHBondContact O-N 3.45Å; I370-K373 VanDerWaalsContact O-N 3.1Å; K373-K375 VanDerWaalsContact C-N 3.35Å; K373-K375 PolarHBondContact O-N 3Å; K373-V376 PolarHBondContact O-N 3.29Å; K373-Q377 WeakPolarHBondContact O-CB 3.38Å; K373-Q377 PolarHBondContact O-N 3.33Å
374E98.2Very high98.1Very high117 Ų117101.3 Ų101.355%0.54750%0.504SS..Hα-helixtrans-59.8-44174.9-70.6170.917000111.6I370 V376 Q377 L378I370-E374 WeakPolarHBondContact O-CG 3.37Å; I370-E374 PolarHBondContact O-N 2.92Å; E374-V376 PolarHBondContact O-N 3.19Å; E374-Q377 PolarHBondContact O-N 2.92Å; E374-L378 WeakPolarHBondContact O-CB 3.43Å; E374-L378 PolarHBondContact O-N 3.34Å
375K98.3Very high98.1Very high134 Ų134102.2 Ų102.258%0.58351%0.507SS*.Hα-helixtrans-62.4-42.5175.3-76.3179.1-178.9-177.10112.7R371 L372 K373 Q377 L378 Q379R371-K375 WeakPolarHBondContact O-CG 3.38Å; R371-K375 PolarHBondContact O-N 3.39Å; R371-K375 VanDerWaalsContact O-N 3.08Å; L372-K375 PolarHBondContact O-N 3.37Å; K373-K375 VanDerWaalsContact C-N 3.35Å; K373-K375 PolarHBondContact O-N 3Å; K375-Q377 VanDerWaalsContact C-N 3.34Å; K375-L378 PolarHBondContact O-N 3.49Å; K375-Q379 WeakPolarHBondContact O-CB 3.45Å; K375-Q379 WeakPolarHBondContact O-CG 3.33Å; K375-Q379 PolarHBondContact O-N 3.49Å
376V98Very high98.1Very high92 Ų92101.1 Ų101.156%0.55850%0.501SS*.Hα-helixtrans-63.4-43.2177.1168.30000110.4L372 K373 E374 Q379 Q380L372-V376 WeakPolarHBondContact O-CG2 3.45Å; L372-V376 PolarHBondContact O-N 2.97Å; K373-V376 PolarHBondContact O-N 3.29Å; E374-V376 PolarHBondContact O-N 3.19Å; V376-Q379 PolarHBondContact O-N 3.22Å; V376-Q380 WeakPolarHBondContact O-CB 3.42Å; V376-Q380 PolarHBondContact O-N 3.09Å
377Q98.3Very high98.1Very high119 Ų119100.6 Ų100.656%0.55651%0.505SS*.Hα-helixtrans-61.6-46176.4-175.5177.7-12.500111.6K373 E374 K375 Q379 Q380 E381K373-Q377 WeakPolarHBondContact O-CB 3.38Å; K373-Q377 PolarHBondContact O-N 3.33Å; E374-Q377 PolarHBondContact O-N 2.92Å; K375-Q377 VanDerWaalsContact C-N 3.34Å; Q377-Q379 VanDerWaalsContact C-N 3.32Å; Q377-Q379 PolarHBondContact O-N 3.49Å; Q377-Q380 WeakPolarHBondContact O-CB 3.38Å; Q377-Q380 PolarHBondContact O-N 2.97Å; Q377-Q380 VanDerWaalsContact O-N 3.13Å; Q377-E381 PolarHBondContact NE2-OE1 3.34Å; Q377-E381 WeakPolarHBondContact O-CG 3.47Å; Q377-E381 PolarHBondContact O-N 2.91Å
378L98.3Very high98.1Very high108 Ų10897.8 Ų97.857%0.56550%0.503SS*.Hα-helixtrans-61.4-40.2176.7-176.566.5000112.3E374 K375 Q380 E381 T382E374-L378 WeakPolarHBondContact O-CB 3.43Å; E374-L378 PolarHBondContact O-N 3.34Å; K375-L378 PolarHBondContact O-N 3.49Å; L378-Q380 VanDerWaalsContact C-N 3.33Å; L378-E381 PolarHBondContact O-N 3.06Å; L378-T382 WeakPolarHBondContact O-CB 3.41Å; L378-T382 PolarHBondContact O-N 3.35Å; L378-T382 PolarHBondContact O-OG1 2.95Å
379Q97.5Very high98.1Very high131 Ų131101.2 Ų101.261%0.61251%0.514SS*.Hα-helixtrans-64.4-38.8174.7-76.3-180-21.200111.9K375 V376 Q377 T382 L383K375-Q379 WeakPolarHBondContact O-CB 3.45Å; K375-Q379 WeakPolarHBondContact O-CG 3.33Å; K375-Q379 PolarHBondContact O-N 3.49Å; V376-Q379 PolarHBondContact O-N 3.22Å; Q377-Q379 VanDerWaalsContact C-N 3.32Å; Q377-Q379 PolarHBondContact O-N 3.49Å; Q379-T382 PolarHBondContact O-N 3.45Å; Q379-L383 WeakPolarHBondContact O-CG 3.5Å; Q379-L383 PolarHBondContact O-N 3.41Å
380Q97.9Very high98.1Very high96 Ų96103.6 Ų103.645%0.44952%0.521SS..Hα-helixtrans-63.1-47175.9-17761.730.900111.5V376 Q377 L378 T382 L383 E384V376-Q380 WeakPolarHBondContact O-CB 3.42Å; V376-Q380 PolarHBondContact O-N 3.09Å; Q377-Q380 WeakPolarHBondContact O-CB 3.38Å; Q377-Q380 PolarHBondContact O-N 2.97Å; Q377-Q380 VanDerWaalsContact O-N 3.13Å; L378-Q380 VanDerWaalsContact C-N 3.33Å; Q380-T382 VanDerWaalsContact C-N 3.3Å; Q380-T382 PolarHBondContact O-N 2.91Å; Q380-L383 PolarHBondContact O-N 2.9Å; Q380-E384 PolarHBondContact NE2-OE1 2.98Å; Q380-E384 WeakPolarHBondContact O-CG 3.19Å; Q380-E384 PolarHBondContact O-N 3.45Å
381E98.1Very high98Very high91 Ų91103.7 Ų103.743%0.42552%0.522SS..Hα-helixtrans-60.9-39176.1-70170-168.900111.9Q377 L378 E384 T385Q377-E381 PolarHBondContact NE2-OE1 3.34Å; Q377-E381 WeakPolarHBondContact O-CG 3.47Å; Q377-E381 PolarHBondContact O-N 2.91Å; L378-E381 PolarHBondContact O-N 3.06Å; E381-E384 PolarHBondContact O-N 3.38Å; E381-T385 PolarHBondContact O-N 2.89Å; E381-T385 PolarHBondContact O-OG1 3.22Å
382T98.1Very high98Very high73 Ų7399.8 Ų99.845%0.44852%0.515SS..Hα-helixtrans-65.1-43.9175.6-54.90000111.3L378 Q379 Q380 T385 L386L378-T382 WeakPolarHBondContact O-CB 3.41Å; L378-T382 PolarHBondContact O-N 3.35Å; L378-T382 PolarHBondContact O-OG1 2.95Å; Q379-T382 PolarHBondContact O-N 3.45Å; Q380-T382 VanDerWaalsContact C-N 3.3Å; Q380-T382 PolarHBondContact O-N 2.91Å; T382-T385 PolarHBondContact O-N 3.29Å; T382-L386 HydrophobicContact CG2-CD1 4.27Å; T382-L386 WeakPolarHBondContact O-CG 3.24Å; T382-L386 PolarHBondContact O-N 2.85Å
383L98Very high98Very high98 Ų9899.9 Ų99.951%0.51352%0.516SS..Hα-helixtrans-62.8-43176.7-78.2170.7000111.7Q379 Q380 T385 L386 V387Q379-L383 WeakPolarHBondContact O-CG 3.5Å; Q379-L383 PolarHBondContact O-N 3.41Å; Q380-L383 PolarHBondContact O-N 2.9Å; L383-T385 VanDerWaalsContact C-N 3.31Å; L383-T385 PolarHBondContact O-N 3.17Å; L383-L386 PolarHBondContact O-N 3.43Å; L383-V387 WeakPolarHBondContact O-CB 3.23Å; L383-V387 VanDerWaalsContact O-CG2 3.24Å; L383-V387 WeakPolarHBondContact O-CG2 3.39Å; L383-V387 PolarHBondContact O-N 2.92Å
384E97.9Very high98Very high117 Ų11798 Ų9855%0.54751%0.509SS..Hα-helixtrans-60.3-42.2176.5-74.9171.7-165.700111.6Q380 E381 V387 G388Q380-E384 PolarHBondContact NE2-OE1 2.98Å; Q380-E384 WeakPolarHBondContact O-CG 3.19Å; Q380-E384 PolarHBondContact O-N 3.45Å; E381-E384 PolarHBondContact O-N 3.38Å; E384-V387 PolarHBondContact O-N 3.43Å; E384-G388 PolarHBondContact O-N 3.39Å
385T98.1Very high97.9Very high86 Ų8697.9 Ų97.953%0.52851%0.508SS..Hα-helixtrans-61.1-49.6174.8-54.50000111.3E381 T382 L383 V387 G388 E389E381-T385 PolarHBondContact O-N 2.89Å; E381-T385 PolarHBondContact O-OG1 3.22Å; T382-T385 PolarHBondContact O-N 3.29Å; L383-T385 VanDerWaalsContact C-N 3.31Å; L383-T385 PolarHBondContact O-N 3.17Å; T385-V387 VanDerWaalsContact C-N 3.32Å; T385-V387 PolarHBondContact O-N 3.12Å; T385-G388 WeakPolarHBondContact O-CA 3.49Å; T385-G388 PolarHBondContact O-N 3.38Å; T385-G388 VanDerWaalsContact O-N 3.12Å; T385-E389 PolarHBondContact O-N 3.44Å
386L97.8Very high97.9Very high92 Ų9298 Ų9848%0.48251%0.509SS..Hα-helixtrans-63.1-36.3178.5-71.8173.7000112.7T382 L383 E389 K390T382-L386 HydrophobicContact CG2-CD1 4.27Å; T382-L386 WeakPolarHBondContact O-CG 3.24Å; T382-L386 PolarHBondContact O-N 2.85Å; L383-L386 PolarHBondContact O-N 3.43Å; L386-E389 PolarHBondContact O-N 2.96Å; L386-K390 WeakPolarHBondContact O-CB 3.35Å; L386-K390 PolarHBondContact O-N 3.42Å
387V98.2Very high97.9Very high96 Ų9697.3 Ų97.358%0.58251%0.505SS*.Hα-helixtrans-64.9-41.7173.9168.10000110.5L383 E384 T385 K390 L391L383-V387 WeakPolarHBondContact O-CB 3.23Å; L383-V387 VanDerWaalsContact O-CG2 3.24Å; L383-V387 WeakPolarHBondContact O-CG2 3.39Å; L383-V387 PolarHBondContact O-N 2.92Å; E384-V387 PolarHBondContact O-N 3.43Å; T385-V387 VanDerWaalsContact C-N 3.32Å; T385-V387 PolarHBondContact O-N 3.12Å; V387-K390 PolarHBondContact O-N 3.12Å; V387-L391 PolarHBondContact O-N 2.96Å
388G97.9Very high97.8Very high42 Ų4296.8 Ų96.843%0.43350%0.502SS..Hα-helixtrans-60-46.7173.200000112.6E384 T385 L391 G392E384-G388 PolarHBondContact O-N 3.39Å; T385-G388 WeakPolarHBondContact O-CA 3.49Å; T385-G388 PolarHBondContact O-N 3.38Å; T385-G388 VanDerWaalsContact O-N 3.12Å; G388-L391 PolarHBondContact O-N 2.85Å; G388-G392 PolarHBondContact O-N 3.3Å
389E97.9Very high97.8Very high114 Ų11495 Ų9553%0.53350%0.496SS..Hα-helixtrans-61.2-44.5175.8-71-179.2172.800112.2T385 L386 L391 G392 L393T385-E389 PolarHBondContact O-N 3.44Å; L386-E389 PolarHBondContact O-N 2.96Å; E389-L391 VanDerWaalsContact C-N 3.33Å; E389-L391 PolarHBondContact O-N 3.39Å; E389-G392 PolarHBondContact O-N 2.89Å; E389-L393 WeakPolarHBondContact O-CG 3.43Å; E389-L393 PolarHBondContact O-N 2.98Å
390K97.6Very high97.8Very high129 Ų12993.7 Ų93.756%0.56149%0.493SS*.Hα-helixtrans-58.3-45.2175.8179.6-174.9174.7-176.20111.4L386 V387 L393 Q394L386-K390 WeakPolarHBondContact O-CB 3.35Å; L386-K390 PolarHBondContact O-N 3.42Å; V387-K390 PolarHBondContact O-N 3.12Å; K390-L393 PolarHBondContact O-N 3.22Å; K390-Q394 WeakPolarHBondContact O-CG 3.41Å; K390-Q394 PolarHBondContact O-N 2.9Å
391L98Very high97.7Very high96 Ų9693.8 Ų93.850%0.50349%0.493SS..Hα-helixtrans-63.1-43.4177.8-174.468.3000111V387 G388 E389 L393 Q394 Q395V387-L391 PolarHBondContact O-N 2.96Å; G388-L391 PolarHBondContact O-N 2.85Å; E389-L391 VanDerWaalsContact C-N 3.33Å; E389-L391 PolarHBondContact O-N 3.39Å; L391-L393 VanDerWaalsContact C-N 3.34Å; L391-L393 PolarHBondContact O-N 3.24Å; L391-Q394 PolarHBondContact O-N 3.45Å; L391-Q395 WeakPolarHBondContact O-CG 3.38Å; L391-Q395 PolarHBondContact O-N 2.97Å
392G98.1Very high97.7Very high26 Ų2695.8 Ų95.827%0.26850%0.5SS..Hα-helixtrans-61.5-39.4175.100000112.9G388 E389 K396G388-G392 PolarHBondContact O-N 3.3Å; E389-G392 PolarHBondContact O-N 2.89Å; G392-K396 WeakPolarHBondContact O-CG 3.4Å; G392-K396 PolarHBondContact O-N 2.93Å; G392-K396 VanDerWaalsContact O-N 3.12Å
393L97.4Very high97.6Very high106 Ų10697.3 Ų97.356%0.55550%0.502SS*.Hα-helixtrans-66.8-41.4174.1-72.2174.7000112.1E389 K390 L391 Q395 K396 V397E389-L393 WeakPolarHBondContact O-CG 3.43Å; E389-L393 PolarHBondContact O-N 2.98Å; K390-L393 PolarHBondContact O-N 3.22Å; L391-L393 VanDerWaalsContact C-N 3.34Å; L391-L393 PolarHBondContact O-N 3.24Å; L393-Q395 PolarHBondContact O-N 3.46Å; L393-K396 PolarHBondContact O-N 3.25Å; L393-V397 WeakPolarHBondContact O-CG2 3.45Å; L393-V397 PolarHBondContact O-N 3.23Å
394Q97.9Very high97.5Very high96 Ų9698.7 Ų98.745%0.44951%0.506SS..Hα-helixtrans-59.1-45.3175.3-77.3177.6-33.200111.7K390 L391 K396 V397 E398K390-Q394 WeakPolarHBondContact O-CG 3.41Å; K390-Q394 PolarHBondContact O-N 2.9Å; L391-Q394 PolarHBondContact O-N 3.45Å; Q394-K396 VanDerWaalsContact C-N 3.34Å; Q394-K396 PolarHBondContact O-N 2.89Å; Q394-V397 PolarHBondContact O-N 2.82Å; Q394-E398 PolarHBondContact O-N 3.31Å
395Q97.6Very high97.4Very high113 Ų11399.6 Ų99.653%0.52851%0.508SS..Hα-helixtrans-61.8-40176-70.8176.2-5.100112.7L391 L393 E398 T399L391-Q395 WeakPolarHBondContact O-CG 3.38Å; L391-Q395 PolarHBondContact O-N 2.97Å; L393-Q395 PolarHBondContact O-N 3.46Å; Q395-E398 PolarHBondContact O-N 3.02Å; Q395-T399 PolarHBondContact O-N 3.02Å; Q395-T399 PolarHBondContact O-OG1 2.96Å
396K97.6Very high97.3Very high138 Ų13898.8 Ų98.860%0.650%0.503SS*.Hα-helixtrans-63.1-43.7174.5-74.8175-178176.90111.6G392 L393 Q394 T399 L400G392-K396 WeakPolarHBondContact O-CG 3.4Å; G392-K396 PolarHBondContact O-N 2.93Å; G392-K396 VanDerWaalsContact O-N 3.12Å; L393-K396 PolarHBondContact O-N 3.25Å; Q394-K396 VanDerWaalsContact C-N 3.34Å; Q394-K396 PolarHBondContact O-N 2.89Å; K396-T399 PolarHBondContact O-N 3.33Å; K396-L400 WeakPolarHBondContact O-CG 3.4Å; K396-L400 PolarHBondContact O-N 2.89Å
397V97.3Very high97.2Very high76 Ų7698 Ų9846%0.46151%0.505SS..Hα-helixtrans-61.3-45.3176.81700000111.1L393 Q394 T399 L400 Q401L393-V397 WeakPolarHBondContact O-CG2 3.45Å; L393-V397 PolarHBondContact O-N 3.23Å; Q394-V397 PolarHBondContact O-N 2.82Å; V397-T399 VanDerWaalsContact C-N 3.27Å; V397-T399 PolarHBondContact O-N 3.37Å; V397-L400 PolarHBondContact O-N 3.43Å; V397-Q401 HydrophobicContact CG1-CG 4.45Å; V397-Q401 WeakPolarHBondContact O-CB 3.33Å; V397-Q401 WeakPolarHBondContact O-CG 3.45Å; V397-Q401 PolarHBondContact O-N 2.85Å
398E97.4Very high97.1Very high109 Ų10996.3 Ų96.351%0.50950%0.496SS..Hα-helixtrans-60.8-37.7176-73.3178.9-171.200112.6Q394 Q395 K402Q394-E398 PolarHBondContact O-N 3.31Å; Q395-E398 PolarHBondContact O-N 3.02Å; E398-K402 WeakPolarHBondContact O-CG 3.32Å; E398-K402 PolarHBondContact O-N 2.99Å
399T97.2Very high97.1Very high69 Ų69100.3 Ų100.342%0.42350%0.504SS..Hα-helixtrans-67.2-48.8177.1-54.70000110.8Q395 K396 V397 Q401 K402 E403Q395-T399 PolarHBondContact O-N 3.02Å; Q395-T399 PolarHBondContact O-OG1 2.96Å; K396-T399 PolarHBondContact O-N 3.33Å; V397-T399 VanDerWaalsContact C-N 3.27Å; V397-T399 PolarHBondContact O-N 3.37Å; T399-Q401 VanDerWaalsContact C-N 3.3Å; T399-Q401 PolarHBondContact O-N 3.43Å; T399-K402 WeakPolarHBondContact O-CB 3.38Å; T399-K402 PolarHBondContact O-N 3.45Å; T399-E403 PolarHBondContact O-N 3.25Å
400L97Very high97Very high105 Ų10599.7 Ų99.755%0.5550%0.504SS..Hα-helixtrans-59.9-38.5176.4-72.8171.9000112.2K396 V397 K402 E403 E404K396-L400 WeakPolarHBondContact O-CG 3.4Å; K396-L400 PolarHBondContact O-N 2.89Å; V397-L400 PolarHBondContact O-N 3.43Å; L400-K402 VanDerWaalsContact C-N 3.31Å; L400-K402 PolarHBondContact O-N 2.8Å; L400-E403 PolarHBondContact O-N 3.05Å; L400-E404 WeakPolarHBondContact O-CB 3.48Å; L400-E404 PolarHBondContact O-N 3.19Å
401Q97Very high97Very high98 Ų9899.5 Ų99.546%0.45851%0.505SS..Hα-helixtrans-64.1-34.9174.7-76.8177.7-5.300112.8V397 T399 K405V397-Q401 HydrophobicContact CG1-CG 4.45Å; V397-Q401 WeakPolarHBondContact O-CB 3.33Å; V397-Q401 WeakPolarHBondContact O-CG 3.45Å; V397-Q401 PolarHBondContact O-N 2.85Å; T399-Q401 VanDerWaalsContact C-N 3.3Å; T399-Q401 PolarHBondContact O-N 3.43Å; Q401-K405 VanDerWaalsContact O-CG 3.31Å; Q401-K405 WeakPolarHBondContact O-CG 3.48Å; Q401-K405 PolarHBondContact O-N 3.47Å; Q401-K405 VanDerWaalsContact O-N 3.15Å
402K96.8Very high96.9Very high133 Ų133101.7 Ų101.758%0.57851%0.512SS*.Hα-helixtrans-67.9-43.6173.7-69.8167.8-174170.10110.5E398 T399 L400 E404 K405 T406E398-K402 WeakPolarHBondContact O-CG 3.32Å; E398-K402 PolarHBondContact O-N 2.99Å; T399-K402 WeakPolarHBondContact O-CB 3.38Å; T399-K402 PolarHBondContact O-N 3.45Å; L400-K402 VanDerWaalsContact C-N 3.31Å; L400-K402 PolarHBondContact O-N 2.8Å; K402-E404 VanDerWaalsContact C-N 3.35Å; K402-K405 PolarHBondContact O-N 3.2Å; K402-T406 WeakPolarHBondContact O-CG2 3.4Å; K402-T406 PolarHBondContact O-N 3.39Å
403E96.3Very high96.9Very high104 Ų104106 Ų10649%0.48653%0.527SS..Hα-helixtrans-63.8-37.3175.8-68.6174.9-178.800112.6T399 L400 T406 C407T399-E403 PolarHBondContact O-N 3.25Å; L400-E403 PolarHBondContact O-N 3.05Å; E403-T406 WeakPolarHBondContact CA-OG1 3.49Å; E403-T406 PolarHBondContact O-N 2.86Å; E403-T406 PolarHBondContact O-OG1 3.28Å; E403-C407 WeakPolarHBondContact O-CB 3.31Å; E403-C407 PolarHBondContact O-N 2.9Å; E403-C407 PolarHBondContact O-SG 3.19Å
404E96.5Very high96.9Very high128 Ų128106.1 Ų106.160%0.59853%0.527SS*.Hα-helixtrans-63.7-43.4174.8-176.3178.4-165.500111.2L400 K402 C407 C408L400-E404 WeakPolarHBondContact O-CB 3.48Å; L400-E404 PolarHBondContact O-N 3.19Å; K402-E404 VanDerWaalsContact C-N 3.35Å; E404-C407 WeakPolarHBondContact O-CB 3.33Å; E404-C407 PolarHBondContact O-N 3.4Å; E404-C408 PolarHBondContact O-N 3.18Å; E404-C408 PolarHBondContact O-SG 3.35Å
405K96.4Very high96.8Very high136 Ų136106.3 Ų106.359%0.59153%0.528SS*.Hα-helixtrans-60.3-46.1175.1-73.4171.8-175.9177.90111.8Q401 K402 C407 C408 E409Q401-K405 VanDerWaalsContact O-CG 3.31Å; Q401-K405 WeakPolarHBondContact O-CG 3.48Å; Q401-K405 PolarHBondContact O-N 3.47Å; Q401-K405 VanDerWaalsContact O-N 3.15Å; K402-K405 PolarHBondContact O-N 3.2Å; K405-C407 VanDerWaalsContact C-N 3.33Å; K405-C407 PolarHBondContact O-N 3.07Å; K405-C408 WeakPolarHBondContact O-CB 3.42Å; K405-C408 PolarHBondContact O-N 2.86Å; K405-E409 WeakPolarHBondContact O-CG 3.36Å; K405-E409 PolarHBondContact O-N 2.9Å
406T96.2Very high96.8Very high69 Ų69107.3 Ų107.342%0.42353%0.53SS..Hα-helixtrans-65.5-37.6177.559.10000111.6K402 E403 C408 E409 L410K402-T406 WeakPolarHBondContact O-CG2 3.4Å; K402-T406 PolarHBondContact O-N 3.39Å; E403-T406 WeakPolarHBondContact CA-OG1 3.49Å; E403-T406 PolarHBondContact O-N 2.86Å; E403-T406 PolarHBondContact O-OG1 3.28Å; T406-C408 VanDerWaalsContact C-N 3.34Å; T406-C408 PolarHBondContact O-N 3.41Å; T406-E409 PolarHBondContact O-N 3.47Å; T406-L410 WeakPolarHBondContact O-CB 3.32Å; T406-L410 WeakPolarHBondContact O-CG 3.43Å; T406-L410 PolarHBondContact O-N 3.46Å
407C95.3Very high96.8Very high75 Ų75105.2 Ų105.251%0.50753%0.525SS..Hα-helixtrans-60.9-42.3172.5-72.60000111.9E403 E404 K405 L410 Q411E403-C407 WeakPolarHBondContact O-CB 3.31Å; E403-C407 PolarHBondContact O-N 2.9Å; E403-C407 PolarHBondContact O-SG 3.19Å; E404-C407 WeakPolarHBondContact O-CB 3.33Å; E404-C407 PolarHBondContact O-N 3.4Å; K405-C407 VanDerWaalsContact C-N 3.33Å; K405-C407 PolarHBondContact O-N 3.07Å; C407-L410 PolarHBondContact O-N 3.31Å; C407-Q411 VanDerWaalsContact O-CB 3.32Å; C407-Q411 WeakPolarHBondContact O-CB 3.48Å; C407-Q411 PolarHBondContact O-N 3.15Å
408C95.9Very high96.8Very high60 Ų60108.2 Ų108.241%0.40553%0.532SS..Hα-helixtrans-62.3-44.5176.5-68.90000111.7E404 K405 T406 Q411 Q412E404-C408 PolarHBondContact O-N 3.18Å; E404-C408 PolarHBondContact O-SG 3.35Å; K405-C408 WeakPolarHBondContact O-CB 3.42Å; K405-C408 PolarHBondContact O-N 2.86Å; T406-C408 VanDerWaalsContact C-N 3.34Å; T406-C408 PolarHBondContact O-N 3.41Å; C408-Q411 PolarHBondContact O-N 3.48Å; C408-Q412 WeakPolarHBondContact O-CG 3.43Å; C408-Q412 PolarHBondContact O-N 3.34Å
409E97Very high96.7Very high127 Ų127106.9 Ų106.959%0.59353%0.532SS*.Hα-helixtrans-61.2-46.3176-71.2171.5-176.700111.8K405 T406 Q411 Q412 M413K405-E409 WeakPolarHBondContact O-CG 3.36Å; K405-E409 PolarHBondContact O-N 2.9Å; T406-E409 PolarHBondContact O-N 3.47Å; E409-Q411 VanDerWaalsContact C-N 3.33Å; E409-Q411 PolarHBondContact O-N 2.92Å; E409-Q412 PolarHBondContact O-N 3Å; E409-M413 PolarHBondContact O-N 3.46Å
410L96.5Very high96.7Very high101 Ų101108.4 Ų108.453%0.52953%0.534SS..Hα-helixtrans-62-41.5176-72.9174.2000111.6T406 C407 Q412 M413 I414T406-L410 WeakPolarHBondContact O-CB 3.32Å; T406-L410 WeakPolarHBondContact O-CG 3.43Å; T406-L410 PolarHBondContact O-N 3.46Å; C407-L410 PolarHBondContact O-N 3.31Å; L410-Q412 PolarHBondContact O-N 3.32Å; L410-M413 WeakPolarHBondContact O-CB 3.46Å; L410-M413 PolarHBondContact O-N 3.19Å; L410-I414 WeakPolarHBondContact O-CG1 3.28Å; L410-I414 PolarHBondContact O-N 3.24Å
411Q97.2Very high96.7Very high125 Ų125109.2 Ų109.258%0.58454%0.538SS*.Hα-helixtrans-64.9-39.3178.4-168.3168.29.900111.9C407 C408 E409 I414 Q415C407-Q411 VanDerWaalsContact O-CB 3.32Å; C407-Q411 WeakPolarHBondContact O-CB 3.48Å; C407-Q411 PolarHBondContact O-N 3.15Å; C408-Q411 PolarHBondContact O-N 3.48Å; E409-Q411 VanDerWaalsContact C-N 3.33Å; E409-Q411 PolarHBondContact O-N 2.92Å; Q411-I414 PolarHBondContact O-N 2.95Å; Q411-Q415 WeakPolarHBondContact O-CG 3.44Å; Q411-Q415 PolarHBondContact O-N 2.97Å
412Q96.7Very high96.7Very high141 Ų141107.8 Ų107.866%0.65954%0.539SS*.Hα-helixtrans-62.6-42.2172-71.1176.79.700111.7C408 E409 L410 Q415 K416C408-Q412 WeakPolarHBondContact O-CG 3.43Å; C408-Q412 PolarHBondContact O-N 3.34Å; E409-Q412 PolarHBondContact O-N 3Å; L410-Q412 PolarHBondContact O-N 3.32Å; Q412-Q415 PolarHBondContact O-N 3.46Å; Q412-K416 PolarHBondContact O-N 2.98Å
413M97.6Very high96.7Very high116 Ų116103.9 Ų103.957%0.57153%0.532SS*.Hα-helixtrans-63.2-43.6176.5-172178.5-69.200111.8E409 L410 Q415 K416 L417E409-M413 PolarHBondContact O-N 3.46Å; L410-M413 WeakPolarHBondContact O-CB 3.46Å; L410-M413 PolarHBondContact O-N 3.19Å; M413-Q415 VanDerWaalsContact C-N 3.34Å; M413-Q415 PolarHBondContact O-N 3.31Å; M413-K416 PolarHBondContact O-N 3.31Å; M413-L417 HydrophobicContact CG-CD1 4.16Å; M413-L417 HydrophobicContact CG-CG 4.48Å; M413-L417 WeakPolarHBondContact O-CB 3.38Å; M413-L417 WeakPolarHBondContact O-CG 3.49Å; M413-L417 PolarHBondContact O-N 3Å
414I97.1Very high96.7Very high109 Ų109103.3 Ų103.356%0.55954%0.536SS*.Hα-helixtrans-59.2-45.8175.1-71.2167.1000110.5L410 Q411 K416 L417 K418L410-I414 WeakPolarHBondContact O-CG1 3.28Å; L410-I414 PolarHBondContact O-N 3.24Å; Q411-I414 PolarHBondContact O-N 2.95Å; I414-K416 VanDerWaalsContact C-N 3.34Å; I414-K416 PolarHBondContact O-N 2.98Å; I414-L417 PolarHBondContact O-N 3.3Å; I414-K418 VanDerWaalsContact O-CB 3.28Å; I414-K418 WeakPolarHBondContact O-CB 3.28Å; I414-K418 PolarHBondContact O-N 3.34Å
415Q96.4Very high96.8Very high101 Ų101105.2 Ų105.247%0.47254%0.537SS..Hα-helixtrans-62.1-42.1177.5-72.3-65.6-6.800111.9Q411 Q412 M413 K418 T419Q411-Q415 WeakPolarHBondContact O-CG 3.44Å; Q411-Q415 PolarHBondContact O-N 2.97Å; Q412-Q415 PolarHBondContact O-N 3.46Å; M413-Q415 VanDerWaalsContact C-N 3.34Å; M413-Q415 PolarHBondContact O-N 3.31Å; Q415-K418 PolarHBondContact O-N 3Å; Q415-T419 WeakPolarHBondContact O-CG2 3.41Å; Q415-T419 PolarHBondContact O-N 2.83Å; Q415-T419 PolarHBondContact O-OG1 3.32Å
416K97.5Very high96.8Very high133 Ų133103.5 Ų103.558%0.57853%0.534SS*.Hα-helixtrans-62.2-45.1175.3-174.7179.5179.3-1790112.1Q412 M413 I414 K418 T419 Q420Q412-K416 PolarHBondContact O-N 2.98Å; M413-K416 PolarHBondContact O-N 3.31Å; I414-K416 VanDerWaalsContact C-N 3.34Å; I414-K416 PolarHBondContact O-N 2.98Å; K416-K418 VanDerWaalsContact C-N 3.32Å; K416-K418 PolarHBondContact O-N 3.11Å; K416-T419 PolarHBondContact O-N 3.46Å; K416-T419 PolarHBondContact O-OG1 3.26Å; K416-Q420 WeakPolarHBondContact O-CB 3.36Å; K416-Q420 WeakPolarHBondContact O-CG 3.26Å; K416-Q420 PolarHBondContact O-N 3.48Å
417L96.8Very high96.9Very high95 Ų95105.6 Ų105.650%0.49754%0.542SS..Hα-helixtrans-65.5-37.4176.7-72.4172.8000111.4M413 I414 Q420 L421M413-L417 HydrophobicContact CG-CD1 4.16Å; M413-L417 HydrophobicContact CG-CG 4.48Å; M413-L417 WeakPolarHBondContact O-CB 3.38Å; M413-L417 WeakPolarHBondContact O-CG 3.49Å; M413-L417 PolarHBondContact O-N 3Å; I414-L417 PolarHBondContact O-N 3.3Å; L417-Q420 PolarHBondContact O-N 3.37Å; L417-L421 VanDerWaalsContact O-CB 3.26Å; L417-L421 WeakPolarHBondContact O-CB 3.47Å; L417-L421 PolarHBondContact O-N 3.49Å
418K97.3Very high97Very high138 Ų138106.5 Ų106.560%0.654%0.541SS*.Hα-helixtrans-63.5-44.8176.7-172.6177.5-177.2178.80111.8I414 Q415 K416 L421 S422I414-K418 VanDerWaalsContact O-CB 3.28Å; I414-K418 WeakPolarHBondContact O-CB 3.28Å; I414-K418 PolarHBondContact O-N 3.34Å; Q415-K418 PolarHBondContact O-N 3Å; K416-K418 VanDerWaalsContact C-N 3.32Å; K416-K418 PolarHBondContact O-N 3.11Å; K418-L421 PolarHBondContact O-N 3.46Å; K418-S422 WeakPolarHBondContact O-CB 3.33Å; K418-S422 PolarHBondContact O-N 3.41Å; K418-S422 PolarHBondContact O-OG 3Å
419T96.1Very high97Very high82 Ų82107 Ų10750%0.50354%0.54SS..Hα-helixtrans-65.5-43.5176.356.10000111.1Q415 K416 L421 S422 A423Q415-T419 WeakPolarHBondContact O-CG2 3.41Å; Q415-T419 PolarHBondContact O-N 2.83Å; Q415-T419 PolarHBondContact O-OG1 3.32Å; K416-T419 PolarHBondContact O-N 3.46Å; K416-T419 PolarHBondContact O-OG1 3.26Å; T419-L421 PolarHBondContact O-N 2.82Å; T419-S422 PolarHBondContact O-N 3Å; T419-S422 PolarHBondContact O-OG 2.88Å; T419-A423 PolarHBondContact O-N 3.48Å
420Q97.4Very high97Very high100 Ų100106.5 Ų106.547%0.46754%0.536SS..Hα-helixtrans-58-49.4174-75.2-178.9-24.100112K416 L417 S422 A423 T424K416-Q420 WeakPolarHBondContact O-CB 3.36Å; K416-Q420 WeakPolarHBondContact O-CG 3.26Å; K416-Q420 PolarHBondContact O-N 3.48Å; L417-Q420 PolarHBondContact O-N 3.37Å; Q420-S422 VanDerWaalsContact C-N 3.31Å; Q420-S422 PolarHBondContact O-N 2.69Å; Q420-A423 WeakPolarHBondContact O-CB 3.46Å; Q420-A423 PolarHBondContact O-N 3.49Å; Q420-A423 VanDerWaalsContact O-N 3.11Å; Q420-T424 PolarHBondContact O-N 3.3Å; Q420-T424 PolarHBondContact O-OG1 2.96Å
421L97.1Very high97Very high122 Ų122106.7 Ų106.764%0.63953%0.534SS*.Hα-helixtrans-62.1-38.7179.7-168.8144.6000111.8L417 K418 T419 T424 R425L417-L421 VanDerWaalsContact O-CB 3.26Å; L417-L421 WeakPolarHBondContact O-CB 3.47Å; L417-L421 PolarHBondContact O-N 3.49Å; K418-L421 PolarHBondContact O-N 3.46Å; T419-L421 PolarHBondContact O-N 2.82Å; L421-T424 PolarHBondContact O-N 3Å; L421-R425 VanDerWaalsContact O-CB 3.28Å; L421-R425 WeakPolarHBondContact O-CB 3.48Å; L421-R425 PolarHBondContact O-N 2.88Å
422S96.8Very high97Very high69 Ų69106 Ų10648%0.48353%0.529SS..Hα-helixtrans-64.1-39.2174.274.10000112.7K418 T419 Q420 R425 L426K418-S422 WeakPolarHBondContact O-CB 3.33Å; K418-S422 PolarHBondContact O-N 3.41Å; K418-S422 PolarHBondContact O-OG 3Å; T419-S422 PolarHBondContact O-N 3Å; T419-S422 PolarHBondContact O-OG 2.88Å; Q420-S422 VanDerWaalsContact C-N 3.31Å; Q420-S422 PolarHBondContact O-N 2.69Å; S422-R425 PolarHBondContact O-N 3.44Å; S422-L426 PolarHBondContact O-N 3.28Å
423A96.9Very high97Very high51 Ų51101.9 Ų101.942%0.42152%0.519SS..Hα-helixtrans-68.1-44.8176.500000111.6T419 Q420 R425 L426 L427T419-A423 PolarHBondContact O-N 3.48Å; Q420-A423 WeakPolarHBondContact O-CB 3.46Å; Q420-A423 PolarHBondContact O-N 3.49Å; Q420-A423 VanDerWaalsContact O-N 3.11Å; A423-R425 VanDerWaalsContact C-N 3.32Å; A423-R425 PolarHBondContact O-N 2.88Å; A423-L426 PolarHBondContact O-N 2.89Å; A423-L427 WeakPolarHBondContact O-CG 3.39Å; A423-L427 PolarHBondContact O-N 3.3Å
424T96.6Very high96.9Very high92 Ų92102.2 Ų102.256%0.56452%0.517SS*.Hα-helixtrans-61.8-40.9175.4-490000111.2Q420 L421 L427 L428Q420-T424 PolarHBondContact O-N 3.3Å; Q420-T424 PolarHBondContact O-OG1 2.96Å; L421-T424 PolarHBondContact O-N 3Å; T424-L427 PolarHBondContact O-N 2.85Å; T424-L428 WeakPolarHBondContact O-CB 3.45Å; T424-L428 PolarHBondContact O-N 3.31Å
425R97.6Very high96.9Very high168 Ų168104.9 Ų104.963%0.63452%0.521SS*.Hα-helixtrans-60.9-45.2175-176.8173.2-178.91610.7111.7L421 S422 A423 L427 L428 D429L421-R425 VanDerWaalsContact O-CB 3.28Å; L421-R425 WeakPolarHBondContact O-CB 3.48Å; L421-R425 PolarHBondContact O-N 2.88Å; S422-R425 PolarHBondContact O-N 3.44Å; A423-R425 VanDerWaalsContact C-N 3.32Å; A423-R425 PolarHBondContact O-N 2.88Å; R425-L427 VanDerWaalsContact C-N 3.34Å; R425-L427 PolarHBondContact O-N 2.98Å; R425-L428 WeakPolarHBondContact O-CB 3.47Å; R425-L428 PolarHBondContact O-N 3.46Å; R425-D429 VanDerWaalsContact O-CG 3.32Å; R425-D429 PolarHBondContact O-N 3.47Å
426L97.1Very high96.9Very high99 Ų99105.8 Ų105.852%0.51853%0.526SS..Hα-helixtrans-61-41.2176-178.967.1000112.2S422 A423 D429 K430S422-L426 PolarHBondContact O-N 3.28Å; A423-L426 PolarHBondContact O-N 2.89Å; L426-D429 PolarHBondContact O-N 3.5Å; L426-K430 WeakPolarHBondContact O-CG 3.42Å; L426-K430 PolarHBondContact O-N 3.18Å
427L97.3Very high96.9Very high114 Ų114102.4 Ų102.460%0.59752%0.519SS*.Hα-helixtrans-64-42.8175.3-70.6174.2000111.6A423 T424 R425 D429 K430 E431A423-L427 WeakPolarHBondContact O-CG 3.39Å; A423-L427 PolarHBondContact O-N 3.3Å; T424-L427 PolarHBondContact O-N 2.85Å; R425-L427 VanDerWaalsContact C-N 3.34Å; R425-L427 PolarHBondContact O-N 2.98Å; L427-D429 VanDerWaalsContact C-N 3.35Å; L427-D429 PolarHBondContact O-N 2.88Å; L427-K430 WeakPolarHBondContact O-CB 3.37Å; L427-K430 PolarHBondContact O-N 2.96Å; L427-E431 PolarHBondContact O-N 3.48Å
428L97.2Very high96.8Very high94 Ų94100.2 Ų100.249%0.49251%0.514SS..Hα-helixtrans-60.9-44.2175.5179.664.5000111.5T424 R425 K430 E431 K432T424-L428 WeakPolarHBondContact O-CB 3.45Å; T424-L428 PolarHBondContact O-N 3.31Å; R425-L428 WeakPolarHBondContact O-CB 3.47Å; R425-L428 PolarHBondContact O-N 3.46Å; L428-K430 VanDerWaalsContact C-N 3.35Å; L428-E431 PolarHBondContact O-N 2.85Å; L428-K432 HydrophobicContact CG-CD 4.43Å; L428-K432 WeakPolarHBondContact O-CG 3.37Å; L428-K432 PolarHBondContact O-N 2.97Å
429D97.2Very high96.8Very high71 Ų7197.8 Ų97.838%0.3850%0.504SS..Hα-helixtrans-65.6-38.1178.9-69.1-23.5000111.5R425 L426 L427 E431 K432 A433R425-D429 VanDerWaalsContact O-CG 3.32Å; R425-D429 PolarHBondContact O-N 3.47Å; L426-D429 PolarHBondContact O-N 3.5Å; L427-D429 VanDerWaalsContact C-N 3.35Å; L427-D429 PolarHBondContact O-N 2.88Å; D429-E431 VanDerWaalsContact C-N 3.33Å; D429-E431 PolarHBondContact O-N 3.42Å; D429-K432 PolarHBondContact O-N 3.33Å; D429-A433 WeakPolarHBondContact O-CB 3.47Å; D429-A433 PolarHBondContact O-N 3.28Å
430K97.1Very high96.8Very high116 Ų11699.5 Ų99.550%0.50451%0.506SS..Hα-helixtrans-59.4-43.8170.5-75.6177.4179.9-178.10111.6L426 L427 L428 A433 K434L426-K430 WeakPolarHBondContact O-CG 3.42Å; L426-K430 PolarHBondContact O-N 3.18Å; L427-K430 WeakPolarHBondContact O-CB 3.37Å; L427-K430 PolarHBondContact O-N 2.96Å; L428-K430 VanDerWaalsContact C-N 3.35Å; K430-A433 PolarHBondContact O-N 2.95Å; K430-K434 WeakPolarHBondContact O-CG 3.48Å; K430-K434 PolarHBondContact O-N 3.22Å
431E96Very high96.6Very high104 Ų104100.8 Ų100.849%0.48651%0.512SS..Hα-helixtrans-72.1-36.4-178.3-144.859.7-16500112.5L427 L428 D429 A433 K434 Y435L427-E431 PolarHBondContact O-N 3.48Å; L428-E431 PolarHBondContact O-N 2.85Å; D429-E431 VanDerWaalsContact C-N 3.33Å; D429-E431 PolarHBondContact O-N 3.42Å; E431-A433 VanDerWaalsContact C-N 3.33Å; E431-A433 PolarHBondContact O-N 2.98Å; E431-K434 PolarHBondContact O-N 2.9Å; E431-K434 IonicContact OE1-NZ 3.73Å; E431-K434 WeakPolarHBondContact OE2-CD 3.48Å; E431-K434 WeakPolarHBondContact OE2-CE 3.39Å; E431-K434 IonicContact OE2-NZ 3.95Å; E431-K434 PolarHBondContact OE2-NZ 2.99Å; E431-Y435 WeakPolarHBondContact O-CB 3.09Å; E431-Y435 PolarHBondContact O-N 2.92Å
432K96.6Very high96.6Very high112 Ų112101 Ų10149%0.48751%0.51SS..Hα-helixtrans-58.7-44.5168.8-75176.4178.9174.80111.6L428 D429 Y435 Q436L428-K432 HydrophobicContact CG-CD 4.43Å; L428-K432 WeakPolarHBondContact O-CG 3.37Å; L428-K432 PolarHBondContact O-N 2.97Å; D429-K432 PolarHBondContact O-N 3.33Å; K432-Y435 PolarHBondContact O-N 3.44Å; K432-Q436 WeakPolarHBondContact O-CG 3.33Å; K432-Q436 PolarHBondContact O-N 3.45Å
433A96.8Very high96.5Very high54 Ų54101.8 Ų101.845%0.44651%0.506SS..Hα-helixtrans-64.3-41177.500000112D429 K430 E431 Q436 S437D429-A433 WeakPolarHBondContact O-CB 3.47Å; D429-A433 PolarHBondContact O-N 3.28Å; K430-A433 PolarHBondContact O-N 2.95Å; E431-A433 VanDerWaalsContact C-N 3.33Å; E431-A433 PolarHBondContact O-N 2.98Å; A433-Q436 PolarHBondContact O-N 3.35Å; A433-S437 WeakPolarHBondContact O-CB 3.4Å; A433-S437 PolarHBondContact O-N 2.87Å
434K96.9Very high96.5Very high123 Ų123102.2 Ų102.254%0.53551%0.506SS..Hα-helixtrans-61.4-45.5172.6-70.8-176.9-160.6158.60111.8K430 E431 S437 A438K430-K434 WeakPolarHBondContact O-CG 3.48Å; K430-K434 PolarHBondContact O-N 3.22Å; E431-K434 PolarHBondContact O-N 2.9Å; E431-K434 IonicContact OE1-NZ 3.73Å; E431-K434 WeakPolarHBondContact OE2-CD 3.48Å; E431-K434 WeakPolarHBondContact OE2-CE 3.39Å; E431-K434 IonicContact OE2-NZ 3.95Å; E431-K434 PolarHBondContact OE2-NZ 2.99Å; K434-S437 PolarHBondContact O-N 3.08Å; K434-A438 WeakPolarHBondContact O-CB 3.36Å; K434-A438 PolarHBondContact O-N 3.37Å
435Y96.8Very high96.4Very high164 Ų164103.2 Ų103.264%0.64351%0.505SS*.Hα-helixtrans-60.4-47.2177.7175.7-96.1000111.8E431 K432 S437 A438 F439E431-Y435 WeakPolarHBondContact O-CB 3.09Å; E431-Y435 PolarHBondContact O-N 2.92Å; K432-Y435 PolarHBondContact O-N 3.44Å; Y435-S437 VanDerWaalsContact C-N 3.35Å; Y435-S437 PolarHBondContact O-N 3.46Å; Y435-A438 PolarHBondContact O-N 2.99Å; Y435-F439 WeakPolarHBondContact O-CB 3.35Å; Y435-F439 PolarHBondContact O-N 3.45Å
436Q96.7Very high96.3Very high120 Ų120100.2 Ų100.256%0.56150%0.498SS*.Hα-helixtrans-60.4-42.6176.1-74.3175.9-14.900112.2K432 A433 F439 H440K432-Q436 WeakPolarHBondContact O-CG 3.33Å; K432-Q436 PolarHBondContact O-N 3.45Å; A433-Q436 PolarHBondContact O-N 3.35Å; Q436-F439 PolarHBondContact O-N 2.83Å; Q436-H440 PolarHBondContact O-CD2 2.98Å; Q436-H440 VanDerWaalsContact O-CD2 3.28Å; Q436-H440 PolarHBondContact O-N 3.3Å
437S96.3Very high96.2Very high62 Ų6298.2 Ų98.243%0.43450%0.497SS..Hα-helixtrans-61.6-46.7175.1-176.70000111.9A433 K434 Y435 F439 H440 Q441A433-S437 WeakPolarHBondContact O-CB 3.4Å; A433-S437 PolarHBondContact O-N 2.87Å; K434-S437 PolarHBondContact O-N 3.08Å; Y435-S437 VanDerWaalsContact C-N 3.35Å; Y435-S437 PolarHBondContact O-N 3.46Å; S437-F439 VanDerWaalsContact C-N 3.33Å; S437-F439 PolarHBondContact O-N 3.48Å; S437-H440 PolarHBondContact O-N 2.96Å; S437-Q441 WeakPolarHBondContact O-CG 3.49Å; S437-Q441 PolarHBondContact O-N 3.45Å
438A95.5Very high96.1Very high49 Ų4999.5 Ų99.541%0.40550%0.497SS..Hα-helixtrans-62.2-39.5176.400000112.1K434 Y435 Q441 Q442K434-A438 WeakPolarHBondContact O-CB 3.36Å; K434-A438 PolarHBondContact O-N 3.37Å; Y435-A438 PolarHBondContact O-N 2.99Å; A438-Q441 WeakPolarHBondContact O-CB 3.4Å; A438-Q441 PolarHBondContact O-N 3.35Å; A438-Q442 PolarHBondContact O-N 2.96Å
439F96.6Very high96Very high88 Ų88100.5 Ų100.539%0.38650%0.499SS..Hα-helixtrans-61.2-49.3175.4179.5-98.3000111.6Y435 Q436 S437 Q441 Q442 E443Y435-F439 WeakPolarHBondContact O-CB 3.35Å; Y435-F439 PolarHBondContact O-N 3.45Å; Q436-F439 PolarHBondContact O-N 2.83Å; S437-F439 VanDerWaalsContact C-N 3.33Å; S437-F439 PolarHBondContact O-N 3.48Å; F439-Q441 VanDerWaalsContact C-N 3.31Å; F439-Q441 PolarHBondContact O-N 3.45Å; F439-Q442 WeakPolarHBondContact O-CA 3.42Å; F439-Q442 WeakPolarHBondContact O-CB 3.35Å; F439-Q442 PolarHBondContact O-N 3.27Å; F439-Q442 VanDerWaalsContact O-N 3.08Å; F439-E443 HydrophobicContact CD1-CG 4.26Å; F439-E443 HydrophobicContact CE1-CG 3.85Å; F439-E443 WeakPolarHBondContact CE1-OE1 3.34Å; F439-E443 HydrophobicContact CZ-CG 4.02Å; F439-E443 WeakPolarHBondContact CZ-OE1 3.38Å; F439-E443 PolarHBondContact O-N 2.85Å
440H95.4Very high95.9Very high117 Ų117101.1 Ų101.154%0.54250%0.503SS..Hα-helixtrans-63-35.5175.6-72.5-45.8000113.2Q436 S437 Q442 E443 S444Q436-H440 PolarHBondContact O-CD2 2.98Å; Q436-H440 VanDerWaalsContact O-CD2 3.28Å; Q436-H440 PolarHBondContact O-N 3.3Å; S437-H440 PolarHBondContact O-N 2.96Å; H440-Q442 VanDerWaalsContact C-N 3.34Å; H440-E443 IonicContact CE1-OE2 3.46Å; H440-E443 IonicContact ND1-OE2 3.91Å; H440-E443 PolarHBondContact ND1-OE2 2.72Å; H440-E443 PolarHBondContact O-N 2.89Å; H440-S444 WeakPolarHBondContact O-CB 3.37Å; H440-S444 PolarHBondContact O-N 3.32Å
441Q94.9Very high95.9Very high127 Ų12799.4 Ų99.459%0.59351%0.505SS*.Hα-helixtrans-63.3-41.1172.1-73.2177.94.100111.6S437 A438 F439 S444 M445S437-Q441 WeakPolarHBondContact O-CG 3.49Å; S437-Q441 PolarHBondContact O-N 3.45Å; A438-Q441 WeakPolarHBondContact O-CB 3.4Å; A438-Q441 PolarHBondContact O-N 3.35Å; F439-Q441 VanDerWaalsContact C-N 3.31Å; F439-Q441 PolarHBondContact O-N 3.45Å; Q441-S444 PolarHBondContact O-N 3.46Å; Q441-M445 WeakPolarHBondContact O-CB 3.47Å; Q441-M445 PolarHBondContact O-N 2.98Å
442Q95.5Very high95.9Very high127 Ų127100 Ų10059%0.59351%0.511SS*.Hα-helixtrans-64.4-45.5175.1-178.3172.9-0.100111.6A438 F439 H440 S444 M445 Q446A438-Q442 PolarHBondContact O-N 2.96Å; F439-Q442 WeakPolarHBondContact O-CA 3.42Å; F439-Q442 WeakPolarHBondContact O-CB 3.35Å; F439-Q442 PolarHBondContact O-N 3.27Å; F439-Q442 VanDerWaalsContact O-N 3.08Å; H440-Q442 VanDerWaalsContact C-N 3.34Å; Q442-S444 VanDerWaalsContact C-N 3.33Å; Q442-S444 PolarHBondContact O-N 3.23Å; Q442-M445 PolarHBondContact O-N 3.48Å; Q442-Q446 WeakPolarHBondContact O-CB 3.43Å; Q442-Q446 PolarHBondContact O-N 2.85Å
443E95.5Very high95.9Very high85 Ų8599.4 Ų99.440%0.39751%0.513SS..Hα-helixtrans-58.3-44.9174.5-71-178.2134.900111.5F439 H440 Q446 A447F439-E443 HydrophobicContact CD1-CG 4.26Å; F439-E443 HydrophobicContact CE1-CG 3.85Å; F439-E443 WeakPolarHBondContact CE1-OE1 3.34Å; F439-E443 HydrophobicContact CZ-CG 4.02Å; F439-E443 WeakPolarHBondContact CZ-OE1 3.38Å; F439-E443 PolarHBondContact O-N 2.85Å; H440-E443 IonicContact CE1-OE2 3.46Å; H440-E443 IonicContact ND1-OE2 3.91Å; H440-E443 PolarHBondContact ND1-OE2 2.72Å; H440-E443 PolarHBondContact O-N 2.89Å; E443-Q446 PolarHBondContact O-N 3.43Å; E443-A447 WeakPolarHBondContact O-CB 3.38Å; E443-A447 PolarHBondContact O-N 3.36Å
444S96.1Very high95.8Very high60 Ų60104.2 Ų104.242%0.4252%0.524SS..Hα-helixtrans-62.3-42.7176-1740000111.8H440 Q441 Q442 A447 K448H440-S444 WeakPolarHBondContact O-CB 3.37Å; H440-S444 PolarHBondContact O-N 3.32Å; Q441-S444 PolarHBondContact O-N 3.46Å; Q442-S444 VanDerWaalsContact C-N 3.33Å; Q442-S444 PolarHBondContact O-N 3.23Å; S444-A447 PolarHBondContact O-N 2.82Å; S444-K448 WeakPolarHBondContact O-CG 3.35Å; S444-K448 PolarHBondContact O-N 3.21Å
445M95.6Very high95.7Very high114 Ų114104.2 Ų104.256%0.56252%0.52SS*.Hα-helixtrans-63.2-45.5176.1-173.6-173.7-60.100111.3Q441 Q442 K448 Q449Q441-M445 WeakPolarHBondContact O-CB 3.47Å; Q441-M445 PolarHBondContact O-N 2.98Å; Q442-M445 PolarHBondContact O-N 3.48Å; M445-K448 WeakPolarHBondContact O-CB 3.49Å; M445-K448 PolarHBondContact O-N 2.89Å; M445-Q449 WeakPolarHBondContact O-CG 3.42Å; M445-Q449 PolarHBondContact O-N 2.85Å
446Q95.8Very high95.6Very high104 Ų10499.9 Ų99.949%0.48651%0.511SS..Hα-helixtrans-64.4-40.6177.8-170.7176.710.500111.4Q442 E443 K448 Q449 N450Q442-Q446 WeakPolarHBondContact O-CB 3.43Å; Q442-Q446 PolarHBondContact O-N 2.85Å; E443-Q446 PolarHBondContact O-N 3.43Å; Q446-K448 VanDerWaalsContact C-N 3.34Å; Q446-K448 PolarHBondContact O-N 3.32Å; Q446-Q449 PolarHBondContact O-N 3.02Å; Q446-N450 WeakPolarHBondContact O-CB 3.42Å; Q446-N450 VanDerWaalsContact O-CG 3.24Å; Q446-N450 PolarHBondContact O-N 3.21Å; Q446-N450 PolarHBondContact O-ND2 3.46Å
447A95Very high95.6Very high58 Ų5898 Ų9848%0.47951%0.505SS..Hα-helixtrans-60.8-42.3173.800000111.8E443 S444 N450 S451E443-A447 WeakPolarHBondContact O-CB 3.38Å; E443-A447 PolarHBondContact O-N 3.36Å; S444-A447 PolarHBondContact O-N 2.82Å; A447-N450 PolarHBondContact O-N 3.43Å; A447-S451 WeakPolarHBondContact O-CB 3.35Å; A447-S451 PolarHBondContact O-N 3.42Å
448K95.4Very high95.5Very high140 Ų14097 Ų9761%0.60950%0.5SS*.Hα-helixtrans-63.9-45.5173.7-73.3176.7-176.7179.80112S444 M445 Q446 N450 S451 L452S444-K448 WeakPolarHBondContact O-CG 3.35Å; S444-K448 PolarHBondContact O-N 3.21Å; M445-K448 WeakPolarHBondContact O-CB 3.49Å; M445-K448 PolarHBondContact O-N 2.89Å; Q446-K448 VanDerWaalsContact C-N 3.34Å; Q446-K448 PolarHBondContact O-N 3.32Å; K448-N450 PolarHBondContact O-N 3.04Å; K448-S451 PolarHBondContact O-N 3.06Å; K448-L452 WeakPolarHBondContact O-CG 3.38Å; K448-L452 PolarHBondContact O-N 3.42Å
449Q94.2Very high95.4Very high116 Ų11698.2 Ų98.254%0.54250%0.499SS..Hα-helixtrans-58.1-47.1175.9-76.1175.9-23.900111.3M445 Q446 S451 L452 L453M445-Q449 WeakPolarHBondContact O-CG 3.42Å; M445-Q449 PolarHBondContact O-N 2.85Å; Q446-Q449 PolarHBondContact O-N 3.02Å; Q449-S451 VanDerWaalsContact C-N 3.33Å; Q449-S451 PolarHBondContact O-N 2.85Å; Q449-L452 PolarHBondContact O-N 3.14Å; Q449-L453 WeakPolarHBondContact O-CB 3.36Å; Q449-L453 PolarHBondContact O-N 3.23Å
450N95.8Very high95.3Very high84 Ų8497.7 Ų97.745%0.44950%0.5SS..Hα-helixtrans-62.1-39.4176.8-71.2-16.9000112.3Q446 A447 K448 K454Q446-N450 WeakPolarHBondContact O-CB 3.42Å; Q446-N450 VanDerWaalsContact O-CG 3.24Å; Q446-N450 PolarHBondContact O-N 3.21Å; Q446-N450 PolarHBondContact O-ND2 3.46Å; A447-N450 PolarHBondContact O-N 3.43Å; K448-N450 PolarHBondContact O-N 3.04Å; N450-K454 WeakPolarHBondContact O-CG 3.37Å; N450-K454 PolarHBondContact O-N 3.48Å
451S96.1Very high95.2Very high79 Ų7996.6 Ų96.655%0.55250%0.502SS*.Hα-helixtrans-66.5-40.6175.5-1740000112.3A447 K448 Q449 R455A447-S451 WeakPolarHBondContact O-CB 3.35Å; A447-S451 PolarHBondContact O-N 3.42Å; K448-S451 PolarHBondContact O-N 3.06Å; Q449-S451 VanDerWaalsContact C-N 3.33Å; Q449-S451 PolarHBondContact O-N 2.85Å; S451-R455 PolarHBondContact O-N 3.3Å; S451-R455 VanDerWaalsContact O-N 3.14Å
452L96.2Very high95.2Very high118 Ų11895.1 Ų95.162%0.61850%0.495SS*.Hα-helixtrans-66.3-44.1176.4-74.6172.5000110.9K448 Q449 K454 R455 V456K448-L452 WeakPolarHBondContact O-CG 3.38Å; K448-L452 PolarHBondContact O-N 3.42Å; Q449-L452 PolarHBondContact O-N 3.14Å; L452-K454 PolarHBondContact O-N 2.87Å; L452-R455 CarbonylContact O-C 3.47Å; L452-R455 WeakPolarHBondContact O-CA 3.42Å; L452-R455 WeakPolarHBondContact O-CB 3.48Å; L452-R455 PolarHBondContact O-N 2.86Å; L452-V456 WeakPolarHBondContact O-CG2 3.39Å; L452-V456 PolarHBondContact O-N 2.92Å
453L96.4Very high95.2Very high99 Ų9996.5 Ų96.552%0.51850%0.495SS..Hα-helixtrans-57.3-49.2176.4-173.165.5000110.9Q449 R455 V456 D457Q449-L453 WeakPolarHBondContact O-CB 3.36Å; Q449-L453 PolarHBondContact O-N 3.23Å; L453-R455 PolarHBondContact O-N 2.91Å; L453-V456 CarbonylContact O-C 3.55Å; L453-V456 WeakPolarHBondContact O-CA 3.41Å; L453-V456 WeakPolarHBondContact O-CB 3.47Å; L453-V456 PolarHBondContact O-N 3.36Å; L453-D457 VanDerWaalsContact O-CG 3.27Å; L453-D457 PolarHBondContact O-N 3.01Å
454K95.1Very high95.1Very high154 Ų15499 Ų9967%0.6751%0.506SS*.Hα-helixtrans-57-34.8174.2-73.6178.1-179.4-176.20113.4N450 L452 A458N450-K454 WeakPolarHBondContact O-CG 3.37Å; N450-K454 PolarHBondContact O-N 3.48Å; L452-K454 PolarHBondContact O-N 2.87Å; K454-A458 WeakPolarHBondContact O-CB 3.43Å; K454-A458 PolarHBondContact O-N 3.24Å
455R95.1Very high95Very high123 Ų12399.7 Ų99.746%0.46450%0.503SS..Hα-helixtrans-73.2-38.4175.8179.656.5179.7152.7-0.1111.6S451 L452 L453 A458 L459 E462S451-R455 PolarHBondContact O-N 3.3Å; S451-R455 VanDerWaalsContact O-N 3.14Å; L452-R455 CarbonylContact O-C 3.47Å; L452-R455 WeakPolarHBondContact O-CA 3.42Å; L452-R455 WeakPolarHBondContact O-CB 3.48Å; L452-R455 PolarHBondContact O-N 2.86Å; L453-R455 PolarHBondContact O-N 2.91Å; R455-A458 PolarHBondContact O-N 3.39Å; R455-L459 HydrophobicContact CG-CD1 4.25Å; R455-L459 WeakPolarHBondContact O-CB 3.48Å; R455-L459 VanDerWaalsContact O-CG 3.29Å; R455-L459 WeakPolarHBondContact O-CG 3.29Å; R455-L459 PolarHBondContact O-N 2.81Å; R455-E462 IonicContact CZ-OE1 2.82Å; R455-E462 IonicContact NH1-OE1 3.31Å; R455-E462 PolarHBondContact NH1-OE1 2.88Å
456V95Very high94.9Very high73 Ų7399.6 Ų99.644%0.44250%0.504SS..Hα-helixtrans-61.6-49.8173.1172.60000109.6L452 L453 A458 L459 D460L452-V456 WeakPolarHBondContact O-CG2 3.39Å; L452-V456 PolarHBondContact O-N 2.92Å; L453-V456 CarbonylContact O-C 3.55Å; L453-V456 WeakPolarHBondContact O-CA 3.41Å; L453-V456 WeakPolarHBondContact O-CB 3.47Å; L453-V456 PolarHBondContact O-N 3.36Å; V456-A458 VanDerWaalsContact C-N 3.28Å; V456-A458 PolarHBondContact O-N 3.32Å; V456-L459 CarbonylContact O-C 3.54Å; V456-L459 WeakPolarHBondContact O-CA 3.46Å; V456-L459 WeakPolarHBondContact O-CB 3.49Å; V456-L459 PolarHBondContact O-N 2.82Å; V456-D460 PolarHBondContact O-N 3.44Å
457D95.2Very high94.9Very high81 Ų8199 Ų9943%0.43350%0.501SS..Hα-helixtrans-56.6-43.1176.1-61.1-26.9000111.4L453 D460 V461L453-D457 VanDerWaalsContact O-CG 3.27Å; L453-D457 PolarHBondContact O-N 3.01Å; D457-D460 PolarHBondContact O-N 2.88Å; D457-V461 WeakPolarHBondContact O-CG2 3.44Å; D457-V461 PolarHBondContact O-N 3.29Å
458A94.6Very high94.8Very high40 Ų40102.2 Ų102.233%0.33150%0.501SS..Hα-helixtrans-64.2-39.5175.800000112.7K454 R455 V456 V461 E462K454-A458 WeakPolarHBondContact O-CB 3.43Å; K454-A458 PolarHBondContact O-N 3.24Å; R455-A458 PolarHBondContact O-N 3.39Å; V456-A458 VanDerWaalsContact C-N 3.28Å; V456-A458 PolarHBondContact O-N 3.32Å; A458-V461 PolarHBondContact O-N 2.99Å; A458-E462 WeakPolarHBondContact O-CG 3.48Å; A458-E462 PolarHBondContact O-N 3.04Å
459L94.1Very high94.7Very high76 Ų7699.3 Ų99.340%0.39849%0.49SS..Hα-helixtrans-67.5-36.5175.2-76.4170.7000111.9R455 V456 E462 R463R455-L459 HydrophobicContact CG-CD1 4.25Å; R455-L459 WeakPolarHBondContact O-CB 3.48Å; R455-L459 VanDerWaalsContact O-CG 3.29Å; R455-L459 WeakPolarHBondContact O-CG 3.29Å; R455-L459 PolarHBondContact O-N 2.81Å; V456-L459 CarbonylContact O-C 3.54Å; V456-L459 WeakPolarHBondContact O-CA 3.46Å; V456-L459 WeakPolarHBondContact O-CB 3.49Å; V456-L459 PolarHBondContact O-N 2.82Å; L459-E462 PolarHBondContact O-N 2.84Å; L459-R463 WeakPolarHBondContact O-CB 3.4Å; L459-R463 PolarHBondContact O-N 2.97Å
460D94.5Very high94.6Very high76 Ų7698.1 Ų98.141%0.40649%0.487SS..Hα-helixtrans-65.3-42.4174.9-76.3-30.9000110.6V456 D457 R463 E464V456-D460 PolarHBondContact O-N 3.44Å; D457-D460 PolarHBondContact O-N 2.88Å; D460-R463 WeakPolarHBondContact O-CB 3.49Å; D460-R463 PolarHBondContact O-N 2.99Å; D460-E464 WeakPolarHBondContact O-CB 3.29Å; D460-E464 WeakPolarHBondContact O-CG 3.41Å; D460-E464 PolarHBondContact O-N 3.34Å
461V94.1Very high94.5Very high95 Ų9599.3 Ų99.358%0.57649%0.489SS*.Hα-helixtrans-62.1-44.6171.9173.30000111.7D457 A458 R463 E464 E465D457-V461 WeakPolarHBondContact O-CG2 3.44Å; D457-V461 PolarHBondContact O-N 3.29Å; A458-V461 PolarHBondContact O-N 2.99Å; V461-R463 VanDerWaalsContact C-N 3.3Å; V461-R463 PolarHBondContact O-N 3Å; V461-E464 PolarHBondContact O-N 2.96Å; V461-E465 PolarHBondContact O-N 2.86Å
462E93.8Very high94.4Very high96 Ų9699.1 Ų99.145%0.44949%0.485SS..Hα-helixtrans-58.7-42.6174.5-76.2173.2-151.100110.9R455 A458 L459 L466R455-E462 IonicContact CZ-OE1 2.82Å; R455-E462 IonicContact NH1-OE1 3.31Å; R455-E462 PolarHBondContact NH1-OE1 2.88Å; A458-E462 WeakPolarHBondContact O-CG 3.48Å; A458-E462 PolarHBondContact O-N 3.04Å; L459-E462 PolarHBondContact O-N 2.84Å; E462-L466 WeakPolarHBondContact O-CB 3.46Å; E462-L466 VanDerWaalsContact O-CG 3.25Å; E462-L466 WeakPolarHBondContact O-CG 3.34Å; E462-L466 PolarHBondContact O-N 3.37Å
463R95.1Very high94.1Very high155 Ų155100.4 Ų100.459%0.58549%0.485SS*.Hα-helixtrans-64.7-47.4177.1-178.2-160.1168.1-155.4-6.1111.6L459 D460 V461 E465 L466 Q467L459-R463 WeakPolarHBondContact O-CB 3.4Å; L459-R463 PolarHBondContact O-N 2.97Å; D460-R463 WeakPolarHBondContact O-CB 3.49Å; D460-R463 PolarHBondContact O-N 2.99Å; V461-R463 VanDerWaalsContact C-N 3.3Å; V461-R463 PolarHBondContact O-N 3Å; R463-E465 VanDerWaalsContact C-N 3.35Å; R463-L466 PolarHBondContact O-N 2.82Å; R463-Q467 VanDerWaalsContact O-CB 3.3Å; R463-Q467 WeakPolarHBondContact O-CB 3.25Å; R463-Q467 PolarHBondContact O-N 3.43Å
464E94.6Very high94Very high137 Ų137100.4 Ų100.464%0.6448%0.483SS*.Hα-helixtrans-60.9-43.6179-76.4-176.8171.900111.3D460 V461 Q467 R468D460-E464 WeakPolarHBondContact O-CB 3.29Å; D460-E464 WeakPolarHBondContact O-CG 3.41Å; D460-E464 PolarHBondContact O-N 3.34Å; V461-E464 PolarHBondContact O-N 2.96Å; E464-Q467 PolarHBondContact O-N 3.35Å; E464-R468 WeakPolarHBondContact O-CB 3.44Å; E464-R468 PolarHBondContact O-N 3.45Å
465E94.4Very high93.8Very high75 Ų7599.5 Ų99.535%0.3548%0.481SS..Hα-helixtrans-67.8-40.5176.8179.754.8-154.900111.8V461 R463 Q467 R468 Q469V461-E465 PolarHBondContact O-N 2.86Å; R463-E465 VanDerWaalsContact C-N 3.35Å; E465-Q467 VanDerWaalsContact C-N 3.3Å; E465-Q467 PolarHBondContact O-N 2.98Å; E465-R468 PolarHBondContact O-N 2.84Å; E465-R468 IonicContact OE1-CZ 3.32Å; E465-R468 IonicContact OE1-NE 3.44Å; E465-R468 IonicContact OE1-NH2 2.78Å; E465-R468 PolarHBondContact OE1-NH2 3.01Å; E465-R468 IonicContact OE2-CZ 3.92Å; E465-R468 IonicContact OE2-NE 3.01Å; E465-R468 PolarHBondContact OE2-NE 3.02Å; E465-R468 IonicContact OE2-NH2 3.53Å; E465-Q469 WeakPolarHBondContact O-CB 3.49Å; E465-Q469 VanDerWaalsContact O-CG 3.29Å; E465-Q469 WeakPolarHBondContact O-CG 3.42Å; E465-Q469 PolarHBondContact O-N 3.29Å; E465-Q469 WeakPolarHBondContact OE1-CG 3.35Å; E465-Q469 PolarHBondContact OE1-NE2 3.38Å
466L93.6Very high93.6Very high113 Ų11396.4 Ų96.459%0.59248%0.482SS*.Hα-helixtrans-61.3-39.9172.7-76.5173.4000111.8E462 R463 Q469 L470E462-L466 WeakPolarHBondContact O-CB 3.46Å; E462-L466 VanDerWaalsContact O-CG 3.25Å; E462-L466 WeakPolarHBondContact O-CG 3.34Å; E462-L466 PolarHBondContact O-N 3.37Å; R463-L466 PolarHBondContact O-N 2.82Å; L466-Q469 PolarHBondContact O-N 3.04Å; L466-L470 WeakPolarHBondContact O-CB 3.3Å; L466-L470 PolarHBondContact O-N 3.44Å
467Q94.2Very high93.4Very high90 Ų9098.6 Ų98.642%0.42149%0.487SS..Hα-helixtrans-67.4-42.6177.4-173.8145.1-9.500111.3R463 E464 E465 Q469 L470 E471R463-Q467 VanDerWaalsContact O-CB 3.3Å; R463-Q467 WeakPolarHBondContact O-CB 3.25Å; R463-Q467 PolarHBondContact O-N 3.43Å; E464-Q467 PolarHBondContact O-N 3.35Å; E465-Q467 VanDerWaalsContact C-N 3.3Å; E465-Q467 PolarHBondContact O-N 2.98Å; Q467-Q469 VanDerWaalsContact C-N 3.33Å; Q467-Q469 PolarHBondContact O-N 3.35Å; Q467-L470 WeakPolarHBondContact O-CB 3.38Å; Q467-L470 PolarHBondContact O-N 3.23Å; Q467-L470 VanDerWaalsContact O-N 3.16Å; Q467-E471 WeakPolarHBondContact O-CG 3.33Å; Q467-E471 PolarHBondContact O-N 2.82Å
468R93.1Very high93.2Very high127 Ų12798.4 Ų98.448%0.47949%0.489SS..Hα-helixtrans-61-41.3172.7-162.1-166.971.6756.2112E464 E465 L470 E471 V472E464-R468 WeakPolarHBondContact O-CB 3.44Å; E464-R468 PolarHBondContact O-N 3.45Å; E465-R468 PolarHBondContact O-N 2.84Å; E465-R468 IonicContact OE1-CZ 3.32Å; E465-R468 IonicContact OE1-NE 3.44Å; E465-R468 IonicContact OE1-NH2 2.78Å; E465-R468 PolarHBondContact OE1-NH2 3.01Å; E465-R468 IonicContact OE2-CZ 3.92Å; E465-R468 IonicContact OE2-NE 3.01Å; E465-R468 PolarHBondContact OE2-NE 3.02Å; E465-R468 IonicContact OE2-NH2 3.53Å; R468-L470 VanDerWaalsContact C-N 3.34Å; R468-E471 PolarHBondContact O-N 3.44Å; R468-V472 WeakPolarHBondContact O-CG2 3.33Å; R468-V472 PolarHBondContact O-N 2.87Å
469Q93.7Very high93.1Very high79 Ų79100.9 Ų100.937%0.36950%0.496SS..Hα-helixtrans-65.8-36.9174.8-74.4177.625.800112.4E465 L466 Q467 K473E465-Q469 WeakPolarHBondContact O-CB 3.49Å; E465-Q469 VanDerWaalsContact O-CG 3.29Å; E465-Q469 WeakPolarHBondContact O-CG 3.42Å; E465-Q469 PolarHBondContact O-N 3.29Å; E465-Q469 WeakPolarHBondContact OE1-CG 3.35Å; E465-Q469 PolarHBondContact OE1-NE2 3.38Å; L466-Q469 PolarHBondContact O-N 3.04Å; Q467-Q469 VanDerWaalsContact C-N 3.33Å; Q467-Q469 PolarHBondContact O-N 3.35Å; Q469-K473 WeakPolarHBondContact O-CB 3.44Å; Q469-K473 WeakPolarHBondContact O-CG 3.42Å; Q469-K473 PolarHBondContact O-N 2.82Å
470L92.9Very high92.9Very high91 Ų91102.2 Ų102.248%0.47650%0.503SS..Hα-helixtrans-62.9-50.2173.4-171.881.4000110.2L466 Q467 R468 V472 K473 E474L466-L470 WeakPolarHBondContact O-CB 3.3Å; L466-L470 PolarHBondContact O-N 3.44Å; Q467-L470 WeakPolarHBondContact O-CB 3.38Å; Q467-L470 PolarHBondContact O-N 3.23Å; Q467-L470 VanDerWaalsContact O-N 3.16Å; R468-L470 VanDerWaalsContact C-N 3.34Å; L470-V472 VanDerWaalsContact C-N 3.33Å; L470-V472 PolarHBondContact O-N 3.16Å; L470-K473 CarbonylContact O-C 3.56Å; L470-K473 WeakPolarHBondContact O-CA 3.48Å; L470-K473 WeakPolarHBondContact O-CB 3.47Å; L470-K473 PolarHBondContact O-N 2.86Å; L470-E474 HydrophobicContact CG-CG 4.28Å; L470-E474 WeakPolarHBondContact O-CB 3.39Å; L470-E474 WeakPolarHBondContact O-CG 3.41Å; L470-E474 PolarHBondContact O-N 2.95Å
471E93.4Very high92.7Very high108 Ų108102.6 Ų102.651%0.50551%0.506SS..Hα-helixtrans-55.5-45.9177.8-73.9171.2-174.200111.7Q467 R468 K473 E474 E475Q467-E471 WeakPolarHBondContact O-CG 3.33Å; Q467-E471 PolarHBondContact O-N 2.82Å; R468-E471 PolarHBondContact O-N 3.44Å; E471-K473 VanDerWaalsContact C-N 3.34Å; E471-K473 PolarHBondContact O-N 3.5Å; E471-E474 PolarHBondContact O-N 3.42Å; E471-E475 WeakPolarHBondContact O-CB 3.38Å; E471-E475 PolarHBondContact O-N 3.4Å
472V93.4Very high92.5Very high75 Ų75102.8 Ų102.846%0.45550%0.503SS..Hα-helixtrans-62.1-41175.51720000111.6R468 L470 A476R468-V472 WeakPolarHBondContact O-CG2 3.33Å; R468-V472 PolarHBondContact O-N 2.87Å; L470-V472 VanDerWaalsContact C-N 3.33Å; L470-V472 PolarHBondContact O-N 3.16Å; V472-A476 WeakPolarHBondContact O-CB 3.34Å; V472-A476 PolarHBondContact O-N 2.88Å
473K90.5Very high92.4Very high146 Ų146102.9 Ų102.964%0.63550%0.504SS*.Hα-helixtrans-68.9-38.4176.8-77.1179.4-179.9176.30112.2Q469 L470 E471 A476 Q477Q469-K473 WeakPolarHBondContact O-CB 3.44Å; Q469-K473 WeakPolarHBondContact O-CG 3.42Å; Q469-K473 PolarHBondContact O-N 2.82Å; L470-K473 CarbonylContact O-C 3.56Å; L470-K473 WeakPolarHBondContact O-CA 3.48Å; L470-K473 WeakPolarHBondContact O-CB 3.47Å; L470-K473 PolarHBondContact O-N 2.86Å; E471-K473 VanDerWaalsContact C-N 3.34Å; E471-K473 PolarHBondContact O-N 3.5Å; K473-A476 PolarHBondContact O-N 2.83Å; K473-Q477 WeakPolarHBondContact O-CB 3.47Å; K473-Q477 PolarHBondContact O-N 3.2Å
474E92.9Very high92.1Very high99 Ų9999.8 Ų99.846%0.46350%0.498SS..Hα-helixtrans-66.1-41.8175.2-74179.5167.800111L470 E471 Q477 T478L470-E474 HydrophobicContact CG-CG 4.28Å; L470-E474 WeakPolarHBondContact O-CB 3.39Å; L470-E474 WeakPolarHBondContact O-CG 3.41Å; L470-E474 PolarHBondContact O-N 2.95Å; E471-E474 PolarHBondContact O-N 3.42Å; E474-Q477 PolarHBondContact O-N 3.4Å; E474-T478 WeakPolarHBondContact O-CG2 3.47Å; E474-T478 PolarHBondContact O-N 2.82Å; E474-T478 PolarHBondContact O-OG1 3.3Å
475E91.6Very high91.9Very high135 Ų13599.7 Ų99.763%0.63150%0.496SS*.Hα-helixtrans-62.4-44.1172.7-170.1177.9-170.200111.3E471 Q477 T478 N479E471-E475 WeakPolarHBondContact O-CB 3.38Å; E471-E475 PolarHBondContact O-N 3.4Å; E475-Q477 VanDerWaalsContact C-N 3.34Å; E475-Q477 PolarHBondContact O-N 3.45Å; E475-T478 WeakPolarHBondContact CA-OG1 3.42Å; E475-T478 PolarHBondContact O-N 2.95Å; E475-T478 PolarHBondContact O-OG1 2.84Å; E475-N479 WeakPolarHBondContact O-CB 3.44Å; E475-N479 PolarHBondContact O-N 3.3Å
476A91.6Very high91.7Very high58 Ų58103 Ų10348%0.47951%0.509SS..Hα-helixtrans-61.8-41.7173.800000112V472 K473 N479 L480V472-A476 WeakPolarHBondContact O-CB 3.34Å; V472-A476 PolarHBondContact O-N 2.88Å; K473-A476 PolarHBondContact O-N 2.83Å; A476-N479 PolarHBondContact O-N 2.89Å; A476-L480 WeakPolarHBondContact O-CB 3.39Å; A476-L480 PolarHBondContact O-N 2.75Å
477Q91.1Very high91.4Very high119 Ų119102.8 Ų102.856%0.55651%0.507SS*.Hα-helixtrans-65.9-42.7177.4-177.3177-1.800112K473 E474 E475 N479 L480 N481K473-Q477 WeakPolarHBondContact O-CB 3.47Å; K473-Q477 PolarHBondContact O-N 3.2Å; E474-Q477 PolarHBondContact O-N 3.4Å; E475-Q477 VanDerWaalsContact C-N 3.34Å; E475-Q477 PolarHBondContact O-N 3.45Å; Q477-N479 VanDerWaalsContact C-N 3.34Å; Q477-L480 PolarHBondContact O-N 3.26Å; Q477-N481 WeakPolarHBondContact O-CB 3.41Å; Q477-N481 PolarHBondContact O-N 3.22Å
478T89.9Confident91.1Very high77 Ų77101.6 Ų101.647%0.47251%0.506SS..Hα-helixtrans-63.7-40.2175.454.30000111.2E474 E475 N481 N482E474-T478 WeakPolarHBondContact O-CG2 3.47Å; E474-T478 PolarHBondContact O-N 2.82Å; E474-T478 PolarHBondContact O-OG1 3.3Å; E475-T478 WeakPolarHBondContact CA-OG1 3.42Å; E475-T478 PolarHBondContact O-N 2.95Å; E475-T478 PolarHBondContact O-OG1 2.84Å; T478-N481 PolarHBondContact O-N 3.46Å; T478-N482 WeakPolarHBondContact O-CB 3.46Å; T478-N482 VanDerWaalsContact O-CG 3.25Å; T478-N482 PolarHBondContact O-N 2.92Å; T478-N482 PolarHBondContact O-ND2 3.4Å
479N91.8Very high90.9Very high91 Ų9199.5 Ų99.549%0.48751%0.505SS..Hα-helixtrans-62.5-45.5172.9-168.13.7000111.7E475 A476 Q477 N481 N482 Q483E475-N479 WeakPolarHBondContact O-CB 3.44Å; E475-N479 PolarHBondContact O-N 3.3Å; A476-N479 PolarHBondContact O-N 2.89Å; Q477-N479 VanDerWaalsContact C-N 3.34Å; N479-N481 VanDerWaalsContact C-N 3.35Å; N479-N481 PolarHBondContact O-N 3.38Å; N479-N482 WeakPolarHBondContact O-CB 3.33Å; N479-N482 PolarHBondContact O-N 3.15Å; N479-Q483 WeakPolarHBondContact O-CG 3.37Å; N479-Q483 PolarHBondContact O-N 2.81Å; N479-Q483 PolarHBondContact OD1-NE2 3.47Å
480L90.5Very high90.7Very high104 Ų104100.7 Ų100.755%0.54551%0.513SS..Hα-helixtrans-62.4-41.2176.5-148.197.8000111.9A476 Q477 Q483 L484A476-L480 WeakPolarHBondContact O-CB 3.39Å; A476-L480 PolarHBondContact O-N 2.75Å; Q477-L480 PolarHBondContact O-N 3.26Å; L480-Q483 WeakPolarHBondContact O-CB 3.49Å; L480-Q483 PolarHBondContact O-N 3.29Å; L480-L484 WeakPolarHBondContact O-CB 3.46Å; L480-L484 PolarHBondContact O-N 3.5Å
481N90Very high90.5Very high85 Ų85103.1 Ų103.146%0.45552%0.52SS..Hα-helixtrans-62.9-40.7174.3-83.6-13.1000111.7Q477 T478 N479 Q483 L484 K485Q477-N481 WeakPolarHBondContact O-CB 3.41Å; Q477-N481 PolarHBondContact O-N 3.22Å; T478-N481 PolarHBondContact O-N 3.46Å; N479-N481 VanDerWaalsContact C-N 3.35Å; N479-N481 PolarHBondContact O-N 3.38Å; N481-Q483 VanDerWaalsContact C-N 3.32Å; N481-Q483 PolarHBondContact O-N 3.05Å; N481-L484 PolarHBondContact O-N 3.1Å; N481-K485 WeakPolarHBondContact O-CB 3.48Å; N481-K485 PolarHBondContact O-N 3.49Å
482N90.3Very high90.2Very high98 Ų98104.1 Ų104.152%0.52452%0.524SS..Hα-helixtrans-63.8-38.4174-73.5-26.7000111.7T478 N479 K485 K486T478-N482 WeakPolarHBondContact O-CB 3.46Å; T478-N482 VanDerWaalsContact O-CG 3.25Å; T478-N482 PolarHBondContact O-N 2.92Å; T478-N482 PolarHBondContact O-ND2 3.4Å; N479-N482 WeakPolarHBondContact O-CB 3.33Å; N479-N482 PolarHBondContact O-N 3.15Å; N482-K485 PolarHBondContact O-N 2.81Å; N482-K486 WeakPolarHBondContact O-CG 3.39Å; N482-K486 PolarHBondContact O-N 2.81Å
483Q91.5Very high89.9Confident99 Ų99106 Ų10646%0.46353%0.528SS..Hα-helixtrans-65.8-45.5173.3-69.8177.62200111.8N479 L480 N481 K485 K486 I487N479-Q483 WeakPolarHBondContact O-CG 3.37Å; N479-Q483 PolarHBondContact O-N 2.81Å; N479-Q483 PolarHBondContact OD1-NE2 3.47Å; L480-Q483 WeakPolarHBondContact O-CB 3.49Å; L480-Q483 PolarHBondContact O-N 3.29Å; N481-Q483 VanDerWaalsContact C-N 3.32Å; N481-Q483 PolarHBondContact O-N 3.05Å; Q483-K485 VanDerWaalsContact C-N 3.29Å; Q483-K485 PolarHBondContact O-N 2.86Å; Q483-K486 WeakPolarHBondContact O-CB 3.3Å; Q483-K486 PolarHBondContact O-N 3.38Å; Q483-I487 WeakPolarHBondContact O-CG1 3.48Å; Q483-I487 PolarHBondContact O-N 2.98Å
484L89.3Confident89.7Confident89 Ų89105.8 Ų105.847%0.46653%0.529SS..Hα-helixtrans-58.8-41.6174.6-89.4166.6000111.6L480 N481 I487 T488L480-L484 WeakPolarHBondContact O-CB 3.46Å; L480-L484 PolarHBondContact O-N 3.5Å; N481-L484 PolarHBondContact O-N 3.1Å; L484-I487 PolarHBondContact O-N 3.48Å; L484-T488 WeakPolarHBondContact O-CB 3.5Å; L484-T488 PolarHBondContact O-N 2.72Å; L484-T488 PolarHBondContact O-OG1 2.83Å
485K90.3Very high89.3Confident135 Ų135106.3 Ų106.359%0.58753%0.532SS*.Hα-helixtrans-60.9-48.2175.7-168.5172.1-177.6178.50111.2N481 N482 Q483 I487 T488 D489N481-K485 WeakPolarHBondContact O-CB 3.48Å; N481-K485 PolarHBondContact O-N 3.49Å; N482-K485 PolarHBondContact O-N 2.81Å; Q483-K485 VanDerWaalsContact C-N 3.29Å; Q483-K485 PolarHBondContact O-N 2.86Å; K485-I487 VanDerWaalsContact C-N 3.35Å; K485-I487 PolarHBondContact O-N 3.23Å; K485-T488 WeakPolarHBondContact O-CB 3.43Å; K485-T488 PolarHBondContact O-N 3.35Å; K485-T488 VanDerWaalsContact O-N 3.1Å; K485-D489 VanDerWaalsContact O-CG 3.22Å; K485-D489 PolarHBondContact O-N 3.27Å
486K89.7Confident88.9Confident146 Ų146102.8 Ų102.864%0.63553%0.526SS*.Hα-helixtrans-56.7-44.8173.9-75.5178.8178-179.60112.9N482 Q483 T488 D489 L490N482-K486 WeakPolarHBondContact O-CG 3.39Å; N482-K486 PolarHBondContact O-N 2.81Å; Q483-K486 WeakPolarHBondContact O-CB 3.3Å; Q483-K486 PolarHBondContact O-N 3.38Å; K486-T488 VanDerWaalsContact C-N 3.31Å; K486-D489 PolarHBondContact O-N 3.31Å; K486-L490 WeakPolarHBondContact O-CB 3.33Å; K486-L490 WeakPolarHBondContact O-CG 3.45Å; K486-L490 PolarHBondContact O-N 2.94Å
487I88.5Confident88.6Confident108 Ų108105 Ų10555%0.55453%0.526SS*.Hα-helixtrans-65.1-38177.6-68.8170.6000110.8Q483 L484 K485 L490 K491Q483-I487 WeakPolarHBondContact O-CG1 3.48Å; Q483-I487 PolarHBondContact O-N 2.98Å; L484-I487 PolarHBondContact O-N 3.48Å; K485-I487 VanDerWaalsContact C-N 3.35Å; K485-I487 PolarHBondContact O-N 3.23Å; I487-L490 PolarHBondContact O-N 3.41Å; I487-K491 VanDerWaalsContact O-CB 3.3Å; I487-K491 WeakPolarHBondContact O-CB 3.4Å; I487-K491 PolarHBondContact O-N 2.84Å
488T87.9Confident88.3Confident65 Ų65103.7 Ų103.740%0.39952%0.523SS..Hα-helixtrans-67-45.9177.9-530000110.8L484 K485 K486 L490 K491 E492L484-T488 WeakPolarHBondContact O-CB 3.5Å; L484-T488 PolarHBondContact O-N 2.72Å; L484-T488 PolarHBondContact O-OG1 2.83Å; K485-T488 WeakPolarHBondContact O-CB 3.43Å; K485-T488 PolarHBondContact O-N 3.35Å; K485-T488 VanDerWaalsContact O-N 3.1Å; K486-T488 VanDerWaalsContact C-N 3.31Å; T488-L490 VanDerWaalsContact C-N 3.34Å; T488-L490 PolarHBondContact O-N 3.34Å; T488-K491 WeakPolarHBondContact O-CB 3.46Å; T488-K491 PolarHBondContact O-N 3.45Å; T488-K491 VanDerWaalsContact O-N 3.17Å; T488-E492 WeakPolarHBondContact O-CG 3.49Å; T488-E492 PolarHBondContact O-N 2.84Å
489D88Confident87.9Confident83 Ų83102.6 Ų102.644%0.44452%0.518SS..Hα-helixtrans-59.6-44.1175.7-62.2-19.3000110.9K485 K486 E492 Q493K485-D489 VanDerWaalsContact O-CG 3.22Å; K485-D489 PolarHBondContact O-N 3.27Å; K486-D489 PolarHBondContact O-N 3.31Å; D489-E492 PolarHBondContact O-N 2.9Å; D489-Q493 PolarHBondContact O-N 3.45Å
490L90.1Very high87.6Confident104 Ų104104.6 Ų104.655%0.54552%0.524SS..Hα-helixtrans-63-42.1174.5-75.8170.7000112.2K486 I487 T488 Q493 E494K486-L490 WeakPolarHBondContact O-CB 3.33Å; K486-L490 WeakPolarHBondContact O-CG 3.45Å; K486-L490 PolarHBondContact O-N 2.94Å; I487-L490 PolarHBondContact O-N 3.41Å; T488-L490 VanDerWaalsContact C-N 3.34Å; T488-L490 PolarHBondContact O-N 3.34Å; L490-Q493 WeakPolarHBondContact O-CB 3.19Å; L490-Q493 PolarHBondContact O-N 2.97Å; L490-E494 PolarHBondContact O-N 2.85Å
491K87.9Confident87.2Confident142 Ų142105.3 Ų105.362%0.61753%0.525SS*.Hα-helixtrans-63-42.4175.9-177.4-167.1172.9-1690111.2I487 T488 Q493 E494 Q495I487-K491 VanDerWaalsContact O-CB 3.3Å; I487-K491 WeakPolarHBondContact O-CB 3.4Å; I487-K491 PolarHBondContact O-N 2.84Å; T488-K491 WeakPolarHBondContact O-CB 3.46Å; T488-K491 PolarHBondContact O-N 3.45Å; T488-K491 VanDerWaalsContact O-N 3.17Å; K491-Q493 VanDerWaalsContact C-N 3.31Å; K491-E494 PolarHBondContact O-N 2.99Å; K491-Q495 WeakPolarHBondContact O-CB 3.49Å; K491-Q495 PolarHBondContact O-N 2.85Å
492E87.6Confident86.8Confident129 Ų129106.1 Ų106.160%0.60353%0.526SS*.Hα-helixtrans-62.6-39.6175.5-75.6-177.9175.600111.3T488 D489 Q495 A496T488-E492 WeakPolarHBondContact O-CG 3.49Å; T488-E492 PolarHBondContact O-N 2.84Å; D489-E492 PolarHBondContact O-N 2.9Å; E492-Q495 PolarHBondContact O-N 2.84Å; E492-A496 WeakPolarHBondContact O-CB 3.5Å; E492-A496 PolarHBondContact O-N 3.5Å
493Q87.5Confident86.5Confident114 Ų114105.2 Ų105.253%0.53352%0.521SS..Hα-helixtrans-62.9-50.6174.1-173.4175.3-8.200112.1D489 L490 K491 Q495 A496 E497D489-Q493 PolarHBondContact O-N 3.45Å; L490-Q493 WeakPolarHBondContact O-CB 3.19Å; L490-Q493 PolarHBondContact O-N 2.97Å; K491-Q493 VanDerWaalsContact C-N 3.31Å; Q493-Q495 VanDerWaalsContact C-N 3.31Å; Q493-Q495 PolarHBondContact O-N 3.17Å; Q493-A496 WeakPolarHBondContact O-CB 3.37Å; Q493-A496 PolarHBondContact O-N 3.22Å; Q493-E497 PolarHBondContact O-N 3.4Å
494E85.3Confident86.2Confident142 Ų142104.3 Ų104.366%0.66452%0.519SS*.Hα-helixtrans-63-36.4176.3-74-161.416700112.3L490 K491 A496 E497 L498L490-E494 PolarHBondContact O-N 2.85Å; K491-E494 PolarHBondContact O-N 2.99Å; E494-A496 VanDerWaalsContact C-N 3.35Å; E494-E497 PolarHBondContact O-N 2.93Å; E494-L498 WeakPolarHBondContact O-CB 3.47Å; E494-L498 PolarHBondContact O-N 2.94Å
495Q85.9Confident85.8Confident109 Ų109103.5 Ų103.551%0.50952%0.519SS..Hα-helixtrans-66.3-37.5176.3-17368.842.900111.6K491 E492 Q493 L498 S499K491-Q495 WeakPolarHBondContact O-CB 3.49Å; K491-Q495 PolarHBondContact O-N 2.85Å; E492-Q495 PolarHBondContact O-N 2.84Å; Q493-Q495 VanDerWaalsContact C-N 3.31Å; Q493-Q495 PolarHBondContact O-N 3.17Å; Q495-L498 PolarHBondContact O-N 3.43Å; Q495-S499 WeakPolarHBondContact O-CB 3.33Å; Q495-S499 PolarHBondContact O-N 3.49Å
496A83.3Confident85.5Confident61 Ų61102.6 Ų102.650%0.50452%0.515SS..Hα-helixtrans-66-44.7173.800000111.4E492 Q493 E494 L498 S499 Q500E492-A496 WeakPolarHBondContact O-CB 3.5Å; E492-A496 PolarHBondContact O-N 3.5Å; Q493-A496 WeakPolarHBondContact O-CB 3.37Å; Q493-A496 PolarHBondContact O-N 3.22Å; E494-A496 VanDerWaalsContact C-N 3.35Å; A496-L498 PolarHBondContact O-N 2.88Å; A496-S499 PolarHBondContact O-N 3.29Å; A496-Q500 WeakPolarHBondContact O-CB 3.42Å; A496-Q500 PolarHBondContact O-N 3.19Å
497E84.9Confident85.2Confident106 Ų106102.5 Ų102.550%0.49552%0.517SS..Hα-helixtrans-60.8-42.6174-73.6-179.6-173.600111.9Q493 E494 Q500 Q501Q493-E497 PolarHBondContact O-N 3.4Å; E494-E497 PolarHBondContact O-N 2.93Å; E497-Q500 WeakPolarHBondContact O-CB 3.47Å; E497-Q500 PolarHBondContact O-N 3.38Å; E497-Q501 WeakPolarHBondContact O-CG 3.49Å; E497-Q501 PolarHBondContact O-N 2.93Å
498L84.8Confident84.9Confident91 Ų91102 Ų10248%0.47652%0.516SS..Hα-helixtrans-64.3-41176.3-173.470.6000112.2E494 Q495 A496 Q500 Q501 Q502E494-L498 WeakPolarHBondContact O-CB 3.47Å; E494-L498 PolarHBondContact O-N 2.94Å; Q495-L498 PolarHBondContact O-N 3.43Å; A496-L498 PolarHBondContact O-N 2.88Å; L498-Q500 VanDerWaalsContact C-N 3.32Å; L498-Q501 PolarHBondContact O-N 3.31Å; L498-Q502 PolarHBondContact O-N 3.34Å
499S81.9Confident84.6Confident53 Ų53104.8 Ų104.837%0.37152%0.524SS..Hα-helixtrans-62.9-41.3175.2-169.90000111.1Q495 A496 Q502 D503Q495-S499 WeakPolarHBondContact O-CB 3.33Å; Q495-S499 PolarHBondContact O-N 3.49Å; A496-S499 PolarHBondContact O-N 3.29Å; S499-Q502 PolarHBondContact O-N 3.31Å; S499-D503 PolarHBondContact O-N 3.45Å
500Q84.1Confident84.4Confident134 Ų134107.8 Ų107.863%0.62653%0.533SS*.Hα-helixtrans-62.8-43.5176.3-158.7177.725.200111.2A496 E497 L498 D503 I504A496-Q500 WeakPolarHBondContact O-CB 3.42Å; A496-Q500 PolarHBondContact O-N 3.19Å; E497-Q500 WeakPolarHBondContact O-CB 3.47Å; E497-Q500 PolarHBondContact O-N 3.38Å; L498-Q500 VanDerWaalsContact C-N 3.32Å; Q500-D503 PolarHBondContact O-N 3.38Å; Q500-I504 WeakPolarHBondContact O-CG1 3.37Å; Q500-I504 PolarHBondContact O-N 2.97Å
501Q81.7Confident84.1Confident119 Ų119108.7 Ų108.756%0.55653%0.534SS*.Hα-helixtrans-62.7-39.3173.3-72.6-73.1-27.200112.7E497 L498 I504 C505E497-Q501 WeakPolarHBondContact O-CG 3.49Å; E497-Q501 PolarHBondContact O-N 2.93Å; L498-Q501 PolarHBondContact O-N 3.31Å; Q501-I504 PolarHBondContact O-N 3.33Å; Q501-C505 PolarHBondContact O-N 2.91Å; Q501-C505 PolarHBondContact O-SG 3.46Å; Q501-C505 VanDerWaalsContact O-SG 3.33Å
502Q82.6Confident83.9Confident102 Ų102108.3 Ų108.348%0.47753%0.533SS..Hα-helixtrans-64.7-39.6176.3-85.3-174.9-13.800112.7L498 S499 C505 K506L498-Q502 PolarHBondContact O-N 3.34Å; S499-Q502 PolarHBondContact O-N 3.31Å; Q502-C505 PolarHBondContact O-N 3.44Å; Q502-K506 WeakPolarHBondContact O-CG 3.38Å; Q502-K506 PolarHBondContact O-N 3.04Å
503D83Confident83.7Confident79 Ų79107.7 Ų107.742%0.42253%0.53SS..Hα-helixtrans-69.1-37.8178.6-73.4-21.8000111.9S499 Q500 C505 K506 E507S499-D503 PolarHBondContact O-N 3.45Å; Q500-D503 PolarHBondContact O-N 3.38Å; D503-C505 VanDerWaalsContact C-N 3.34Å; D503-C505 PolarHBondContact O-N 3Å; D503-K506 PolarHBondContact O-N 3.01Å; D503-K506 IonicContact OD1-NZ 2.89Å; D503-K506 PolarHBondContact OD1-NZ 2.98Å; D503-E507 PolarHBondContact O-N 3.09Å
504I85.1Confident83.4Confident80 Ų80106.5 Ų106.541%0.4153%0.53SS..Hα-helixtrans-59.3-44.5170.3-65.7166.5000110.9Q500 Q501 K506 E507 L508Q500-I504 WeakPolarHBondContact O-CG1 3.37Å; Q500-I504 PolarHBondContact O-N 2.97Å; Q501-I504 PolarHBondContact O-N 3.33Å; I504-K506 VanDerWaalsContact C-N 3.33Å; I504-K506 PolarHBondContact O-N 3.25Å; I504-E507 PolarHBondContact O-N 3.48Å; I504-L508 HydrophobicContact CG2-CD1 4.1Å; I504-L508 WeakPolarHBondContact O-CG 3.38Å; I504-L508 PolarHBondContact O-N 2.79Å
505C81.8Confident83.3Confident71 Ų71104.6 Ų104.648%0.4852%0.524SS..Hα-helixtrans-62.7-38176.3-71.30000112.6Q501 Q502 D503 L508 Q509Q501-C505 PolarHBondContact O-N 2.91Å; Q501-C505 PolarHBondContact O-SG 3.46Å; Q501-C505 VanDerWaalsContact O-SG 3.33Å; Q502-C505 PolarHBondContact O-N 3.44Å; D503-C505 VanDerWaalsContact C-N 3.34Å; D503-C505 PolarHBondContact O-N 3Å; C505-L508 PolarHBondContact O-N 3.25Å; C505-Q509 VanDerWaalsContact O-CB 3.32Å; C505-Q509 WeakPolarHBondContact O-CB 3.32Å; C505-Q509 PolarHBondContact O-N 3.22Å
506K84.4Confident83.2Confident116 Ų116104.1 Ų104.150%0.50452%0.522SS..Hα-helixtrans-65.8-39.4175.9-70.9172.3-160.4153.10111.8Q502 D503 I504 Q509 K510Q502-K506 WeakPolarHBondContact O-CG 3.38Å; Q502-K506 PolarHBondContact O-N 3.04Å; D503-K506 PolarHBondContact O-N 3.01Å; D503-K506 IonicContact OD1-NZ 2.89Å; D503-K506 PolarHBondContact OD1-NZ 2.98Å; I504-K506 VanDerWaalsContact C-N 3.33Å; I504-K506 PolarHBondContact O-N 3.25Å; K506-Q509 PolarHBondContact O-N 3.3Å; K506-K510 PolarHBondContact O-N 3.42Å
507E83.7Confident83.1Confident144 Ų144105.2 Ų105.267%0.67352%0.522SS*.Hα-helixtrans-63-49.3174.3-76.6-167.1156.700111.5D503 I504 Q509 K510 E511D503-E507 PolarHBondContact O-N 3.09Å; I504-E507 PolarHBondContact O-N 3.48Å; E507-Q509 PolarHBondContact O-N 2.99Å; E507-K510 WeakPolarHBondContact O-CB 3.5Å; E507-K510 PolarHBondContact O-N 3.28Å; E507-K510 VanDerWaalsContact O-N 3.14Å; E507-E511 PolarHBondContact O-N 3.4Å
508L81.8Confident83.1Confident99 Ų99108.3 Ų108.352%0.51853%0.53SS..Hα-helixtrans-58.8-35.9175.5-74.2169.7000112.3I504 C505 E511 K512I504-L508 HydrophobicContact CG2-CD1 4.1Å; I504-L508 WeakPolarHBondContact O-CG 3.38Å; I504-L508 PolarHBondContact O-N 2.79Å; C505-L508 PolarHBondContact O-N 3.25Å; L508-E511 PolarHBondContact O-N 3.02Å; L508-K512 WeakPolarHBondContact O-CB 3.49Å; L508-K512 PolarHBondContact O-N 2.69Å
509Q82.4Confident83Confident122 Ų122107.6 Ų107.657%0.5753%0.529SS*.Hα-helixtrans-70.8-36.9177.5-170137.9-22.100112.9C505 K506 E507 E511 K512 Q513C505-Q509 VanDerWaalsContact O-CB 3.32Å; C505-Q509 WeakPolarHBondContact O-CB 3.32Å; C505-Q509 PolarHBondContact O-N 3.22Å; K506-Q509 PolarHBondContact O-N 3.3Å; E507-Q509 PolarHBondContact O-N 2.99Å; Q509-E511 VanDerWaalsContact C-N 3.34Å; Q509-K512 PolarHBondContact O-N 2.89Å; Q509-Q513 WeakPolarHBondContact O-CG 3.47Å; Q509-Q513 PolarHBondContact O-N 3.49Å
510K83.3Confident82.9Confident146 Ų146110.4 Ų110.464%0.63554%0.536SS*.Hα-helixtrans-63.1-43.4170.1-75.4178.1179.51760110.9K506 E507 K512 Q513 T514K506-K510 PolarHBondContact O-N 3.42Å; E507-K510 WeakPolarHBondContact O-CB 3.5Å; E507-K510 PolarHBondContact O-N 3.28Å; E507-K510 VanDerWaalsContact O-N 3.14Å; K510-K512 PolarHBondContact O-N 3.48Å; K510-Q513 PolarHBondContact O-N 2.99Å; K510-T514 PolarHBondContact O-N 3.18Å; K510-T514 PolarHBondContact O-OG1 3.03Å
511E82.7Confident82.9Confident123 Ų123109.5 Ų109.558%0.57553%0.532SS*.Hα-helixtrans-61.4-45.1178.2-143.5179.2-16200111.2E507 L508 Q509 Q513 T514 L515E507-E511 PolarHBondContact O-N 3.4Å; L508-E511 PolarHBondContact O-N 3.02Å; Q509-E511 VanDerWaalsContact C-N 3.34Å; E511-Q513 PolarHBondContact O-N 2.82Å; E511-T514 PolarHBondContact O-N 3.08Å; E511-L515 WeakPolarHBondContact O-CG 3.38Å; E511-L515 PolarHBondContact O-N 3.01Å
512K84.1Confident82.9Confident134 Ų134109.2 Ų109.258%0.58353%0.533SS*.Hα-helixtrans-56-49.5172.2-179-174.9173.7-177.70112.2L508 Q509 K510 T514 L515 Q516L508-K512 WeakPolarHBondContact O-CB 3.49Å; L508-K512 PolarHBondContact O-N 2.69Å; Q509-K512 PolarHBondContact O-N 2.89Å; K510-K512 PolarHBondContact O-N 3.48Å; K512-T514 VanDerWaalsContact C-N 3.29Å; K512-T514 PolarHBondContact O-N 3.49Å; K512-L515 PolarHBondContact O-N 3.27Å; K512-Q516 WeakPolarHBondContact O-CB 3.44Å; K512-Q516 PolarHBondContact O-N 3.38Å
513Q82.9Confident82.9Confident117 Ų117110.3 Ų110.355%0.54754%0.539SS..Hα-helixtrans-60.2-40179.3-78.1-179-1500112.1Q509 K510 E511 Q516 T517Q509-Q513 WeakPolarHBondContact O-CG 3.47Å; Q509-Q513 PolarHBondContact O-N 3.49Å; K510-Q513 PolarHBondContact O-N 2.99Å; E511-Q513 PolarHBondContact O-N 2.82Å; Q513-Q516 WeakPolarHBondContact O-CB 3.47Å; Q513-Q516 PolarHBondContact O-N 2.95Å; Q513-T517 PolarHBondContact O-N 3.15Å; Q513-T517 PolarHBondContact O-OG1 3.18Å
514T82.8Confident82.8Confident88 Ų88113.4 Ų113.454%0.5455%0.548SS..Hα-helixtrans-65.4-41.2178.6-42.30000111.7K510 E511 K512 Q516 T517 R518K510-T514 PolarHBondContact O-N 3.18Å; K510-T514 PolarHBondContact O-OG1 3.03Å; E511-T514 PolarHBondContact O-N 3.08Å; K512-T514 VanDerWaalsContact C-N 3.29Å; K512-T514 PolarHBondContact O-N 3.49Å; T514-Q516 VanDerWaalsContact C-N 3.35Å; T514-T517 PolarHBondContact O-OG1 2.88Å; T514-R518 PolarHBondContact O-N 3.14Å
515L82.7Confident82.7Confident102 Ų102117 Ų11753%0.53456%0.557SS.*Hα-helixtrans-65.2-40.1173.4-72.3169.8000111.5E511 K512 R518 V519E511-L515 WeakPolarHBondContact O-CG 3.38Å; E511-L515 PolarHBondContact O-N 3.01Å; K512-L515 PolarHBondContact O-N 3.27Å; L515-R518 WeakPolarHBondContact O-CB 3.48Å; L515-R518 PolarHBondContact O-N 3.39Å; L515-V519 WeakPolarHBondContact O-CG2 3.47Å; L515-V519 PolarHBondContact O-N 2.75Å
516Q83.8Confident82.6Confident100 Ų100117.6 Ų117.647%0.46756%0.558SS.*Hα-helixtrans-64.9-39.9-179.8-155.7163.9-4.100111.9K512 Q513 T514 R518 V519 E520K512-Q516 WeakPolarHBondContact O-CB 3.44Å; K512-Q516 PolarHBondContact O-N 3.38Å; Q513-Q516 WeakPolarHBondContact O-CB 3.47Å; Q513-Q516 PolarHBondContact O-N 2.95Å; T514-Q516 VanDerWaalsContact C-N 3.35Å; Q516-R518 VanDerWaalsContact C-N 3.34Å; Q516-R518 PolarHBondContact O-N 3.39Å; Q516-V519 PolarHBondContact O-N 2.72Å; Q516-E520 PolarHBondContact O-N 2.9Å
517T80.4Confident82.4Confident83 Ų83114.2 Ų114.251%0.50955%0.552SS.*Hα-helixtrans-63.7-38.9173.72.40000112.2Q513 T514 V519 E520 E521Q513-T517 PolarHBondContact O-N 3.15Å; Q513-T517 PolarHBondContact O-OG1 3.18Å; T514-T517 PolarHBondContact O-OG1 2.88Å; T517-V519 VanDerWaalsContact C-N 3.34Å; T517-E520 PolarHBondContact O-N 3.46Å; T517-E521 PolarHBondContact O-N 3.45Å
518R84.4Confident82.1Confident172 Ų172112.9 Ų112.965%0.64955%0.546SS*.Hα-helixtrans-63.2-39.3174.3-98.2178160.1-179.5-4.4112.7T514 L515 Q516 L522T514-R518 PolarHBondContact O-N 3.14Å; L515-R518 WeakPolarHBondContact O-CB 3.48Å; L515-R518 PolarHBondContact O-N 3.39Å; Q516-R518 VanDerWaalsContact C-N 3.34Å; Q516-R518 PolarHBondContact O-N 3.39Å; R518-L522 WeakPolarHBondContact O-CB 3.35Å; R518-L522 WeakPolarHBondContact O-CG 3.29Å; R518-L522 PolarHBondContact O-N 3.42Å
519V83.6Confident82.1Confident76 Ų76113.7 Ų113.746%0.46155%0.55SS..Hα-helixtrans-64.2-47.9175.9171.10000110.2L515 Q516 T517 E521 L522 E523L515-V519 WeakPolarHBondContact O-CG2 3.47Å; L515-V519 PolarHBondContact O-N 2.75Å; Q516-V519 PolarHBondContact O-N 2.72Å; T517-V519 VanDerWaalsContact C-N 3.34Å; V519-E521 VanDerWaalsContact C-N 3.32Å; V519-E521 PolarHBondContact O-N 2.98Å; V519-L522 WeakPolarHBondContact O-CB 3.27Å; V519-L522 PolarHBondContact O-N 3.18Å; V519-L522 VanDerWaalsContact O-N 3.17Å; V519-E523 HydrophobicContact CG1-CG 4.44Å; V519-E523 WeakPolarHBondContact O-CG 3.44Å; V519-E523 PolarHBondContact O-N 2.79Å
520E80.4Confident81.7Confident111 Ų111113.6 Ų113.652%0.51955%0.551SS.*Hα-helixtrans-60.4-39.3177.7-72.2172.8-174.900112.4Q516 T517 E523 K524Q516-E520 PolarHBondContact O-N 2.9Å; T517-E520 PolarHBondContact O-N 3.46Å; E520-E523 PolarHBondContact O-N 2.98Å; E520-K524 WeakPolarHBondContact O-CB 3.49Å; E520-K524 PolarHBondContact O-N 2.69Å
521E83.5Confident81.4Confident116 Ų116111.8 Ų111.854%0.54255%0.545SS..Hα-helixtrans-66.6-38.6176.4-166.1177.3-178.300112.3T517 V519 K524 R525T517-E521 PolarHBondContact O-N 3.45Å; V519-E521 VanDerWaalsContact C-N 3.32Å; V519-E521 PolarHBondContact O-N 2.98Å; E521-K524 PolarHBondContact O-N 3.24Å; E521-R525 PolarHBondContact O-N 3.47Å; E521-R525 VanDerWaalsContact O-N 3.13Å
522L82Confident81.2Confident112 Ų112112.4 Ų112.459%0.58655%0.547SS*.Hα-helixtrans-65.8-44.6173.6-79.3166.4000111.7R518 V519 K524 R525 V526R518-L522 WeakPolarHBondContact O-CB 3.35Å; R518-L522 WeakPolarHBondContact O-CG 3.29Å; R518-L522 PolarHBondContact O-N 3.42Å; V519-L522 WeakPolarHBondContact O-CB 3.27Å; V519-L522 PolarHBondContact O-N 3.18Å; V519-L522 VanDerWaalsContact O-N 3.17Å; L522-K524 VanDerWaalsContact C-N 3.27Å; L522-K524 PolarHBondContact O-N 2.82Å; L522-R525 PolarHBondContact O-N 3Å; L522-V526 WeakPolarHBondContact O-CG2 3.46Å; L522-V526 PolarHBondContact O-N 3Å
523E81.4Confident80.9Confident126 Ų126109.3 Ų109.359%0.58954%0.54SS*.Hα-helixtrans-58.6-40.7175.7-75.6-178.3163.800111.5V519 E520 V526 A527V519-E523 HydrophobicContact CG1-CG 4.44Å; V519-E523 WeakPolarHBondContact O-CG 3.44Å; V519-E523 PolarHBondContact O-N 2.79Å; E520-E523 PolarHBondContact O-N 2.98Å; E523-V526 PolarHBondContact O-N 3Å; E523-A527 PolarHBondContact O-N 3.28Å
524K81.9Confident80.6Confident144 Ų144109.3 Ų109.363%0.62654%0.538SS*.Hα-helixtrans-63.4-43.5176.9-155.1176.7-175.4-178.20112.3E520 E521 L522 V526 A527 E528E520-K524 WeakPolarHBondContact O-CB 3.49Å; E520-K524 PolarHBondContact O-N 2.69Å; E521-K524 PolarHBondContact O-N 3.24Å; L522-K524 VanDerWaalsContact C-N 3.27Å; L522-K524 PolarHBondContact O-N 2.82Å; K524-V526 VanDerWaalsContact C-N 3.35Å; K524-V526 PolarHBondContact O-N 3.46Å; K524-A527 PolarHBondContact O-N 3.25Å; K524-E528 WeakPolarHBondContact O-CG 3.38Å; K524-E528 PolarHBondContact O-N 3.28Å
525R82.1Confident80.1Confident154 Ų154108.2 Ų108.258%0.58154%0.537SS*.Hα-helixtrans-63.8-38.8174.3-74.3179.7178.8-144.71.4112.5E521 L522 A527 E528 L529E521-R525 PolarHBondContact O-N 3.47Å; E521-R525 VanDerWaalsContact O-N 3.13Å; L522-R525 PolarHBondContact O-N 3Å; R525-A527 VanDerWaalsContact C-N 3.35Å; R525-E528 PolarHBondContact O-N 3.25Å; R525-L529 WeakPolarHBondContact O-CG 3.45Å; R525-L529 PolarHBondContact O-N 3.23Å
526V81.6Confident79.7Confident84 Ų84108.8 Ų108.851%0.50954%0.541SS..Hα-helixtrans-63.8-42.3175.3170.60000110.4L522 E523 K524 L529 M530L522-V526 WeakPolarHBondContact O-CG2 3.46Å; L522-V526 PolarHBondContact O-N 3Å; E523-V526 PolarHBondContact O-N 3Å; K524-V526 VanDerWaalsContact C-N 3.35Å; K524-V526 PolarHBondContact O-N 3.46Å; V526-L529 PolarHBondContact O-N 3.02Å; V526-M530 WeakPolarHBondContact O-CG 3.49Å; V526-M530 PolarHBondContact O-N 2.87Å
527A78.6Confident79.3Confident46 Ų46111.9 Ų111.938%0.3855%0.548SS..Hα-helixtrans-62.6-43.3176.400000112.6E523 K524 R525 L529 M530 E531E523-A527 PolarHBondContact O-N 3.28Å; K524-A527 PolarHBondContact O-N 3.25Å; R525-A527 VanDerWaalsContact C-N 3.35Å; A527-L529 VanDerWaalsContact C-N 3.34Å; A527-L529 PolarHBondContact O-N 3.23Å; A527-M530 PolarHBondContact O-N 3.42Å; A527-E531 PolarHBondContact O-N 3.4Å; A527-E531 VanDerWaalsContact O-N 3.12Å
528E78.9Confident78.8Confident116 Ų116113.3 Ų113.354%0.54255%0.549SS..Hα-helixtrans-62.2-39.8175.9-74173.7-178.300112.6K524 R525 E531 H532K524-E528 WeakPolarHBondContact O-CG 3.38Å; K524-E528 PolarHBondContact O-N 3.28Å; R525-E528 PolarHBondContact O-N 3.25Å; E528-E531 PolarHBondContact O-N 2.89Å; E528-H532 PolarHBondContact O-N 2.76Å; E528-H532 VanDerWaalsContact O-N 3.14Å; E528-H532 PolarHBondContact O-ND1 2.85Å
529L79.9Confident78Confident115 Ų115113.5 Ų113.560%0.60255%0.549SS*.Hα-helixtrans-65.7-40.4174.3-81.2164.4000112.1R525 V526 A527 E531 H532 V533R525-L529 WeakPolarHBondContact O-CG 3.45Å; R525-L529 PolarHBondContact O-N 3.23Å; V526-L529 PolarHBondContact O-N 3.02Å; A527-L529 VanDerWaalsContact C-N 3.34Å; A527-L529 PolarHBondContact O-N 3.23Å; L529-E531 PolarHBondContact O-N 3.32Å; L529-H532 WeakPolarHBondContact O-CB 3.45Å; L529-H532 PolarHBondContact O-N 3.29Å; L529-V533 WeakPolarHBondContact O-CG2 3.46Å; L529-V533 PolarHBondContact O-N 3.27Å
530M75Confident77.1Confident120 Ų120116 Ų11659%0.59156%0.556SS**Hα-helixtrans-62.8-40.5176.9-75-160.1-47.700112.6V526 A527 V533 K534V526-M530 WeakPolarHBondContact O-CG 3.49Å; V526-M530 PolarHBondContact O-N 2.87Å; A527-M530 PolarHBondContact O-N 3.42Å; M530-V533 PolarHBondContact O-N 3.17Å; M530-K534 PolarHBondContact O-N 3.37Å
531E77.5Confident76.9Confident109 Ų109119.4 Ų119.451%0.50956%0.564SS.*Hα-helixtrans-67.7-36.6176.4-79.8-60.3136.600112A527 E528 L529 V533 K534 A535A527-E531 PolarHBondContact O-N 3.4Å; A527-E531 VanDerWaalsContact O-N 3.12Å; E528-E531 PolarHBondContact O-N 2.89Å; L529-E531 PolarHBondContact O-N 3.32Å; E531-V533 VanDerWaalsContact C-N 3.33Å; E531-V533 PolarHBondContact O-N 3.05Å; E531-K534 PolarHBondContact O-N 3.37Å; E531-K534 IonicContact OE1-NZ 3.88Å; E531-K534 PolarHBondContact OE1-NZ 3.11Å; E531-A535 PolarHBondContact O-N 2.96Å
532H77.4Confident76Confident135 Ų135119.1 Ų119.163%0.62557%0.566SS**Hα-helixtrans-59.5-42.5170-94.177.3000112.6E528 L529 A535 L536E528-H532 PolarHBondContact O-N 2.76Å; E528-H532 VanDerWaalsContact O-N 3.14Å; E528-H532 PolarHBondContact O-ND1 2.85Å; L529-H532 WeakPolarHBondContact O-CB 3.45Å; L529-H532 PolarHBondContact O-N 3.29Å; H532-A535 PolarHBondContact O-N 3.3Å; H532-L536 WeakPolarHBondContact O-CG 3.45Å; H532-L536 PolarHBondContact O-N 3.01Å
533V78.4Confident74.8Confident70 Ų70118.5 Ų118.542%0.42456%0.562SS.*Hα-helixtrans-66.4-38.4178.3171.20000111.6L529 M530 E531 L536 R537L529-V533 WeakPolarHBondContact O-CG2 3.46Å; L529-V533 PolarHBondContact O-N 3.27Å; M530-V533 PolarHBondContact O-N 3.17Å; E531-V533 VanDerWaalsContact C-N 3.33Å; E531-V533 PolarHBondContact O-N 3.05Å; V533-L536 PolarHBondContact O-N 3.34Å; V533-R537 PolarHBondContact O-N 3.27Å
534K77.1Confident73.9Confident117 Ų117118 Ų11851%0.50957%0.568SS.*Hα-helixtrans-61.6-47.8172.2-93.2-178.4-173.5165.80112M530 E531 L536 R537 E538M530-K534 PolarHBondContact O-N 3.37Å; E531-K534 PolarHBondContact O-N 3.37Å; E531-K534 IonicContact OE1-NZ 3.88Å; E531-K534 PolarHBondContact OE1-NZ 3.11Å; K534-L536 PolarHBondContact O-N 3.48Å; K534-R537 PolarHBondContact O-N 2.87Å; K534-R537 VanDerWaalsContact O-N 3.09Å; K534-E538 PolarHBondContact O-N 3.42Å
535A72.2Confident73Confident64 Ų64114.2 Ų114.253%0.52956%0.564SS.*Hα-helixtrans-58.8-37.8179.100000112.1E531 H532 R539E531-A535 PolarHBondContact O-N 2.96Å; H532-A535 PolarHBondContact O-N 3.3Å; A535-R539 PolarHBondContact O-N 3.23Å; A535-R539 VanDerWaalsContact O-N 3.17Å
536L72.9Confident71.7Confident115 Ų115112.9 Ų112.960%0.60256%0.562SS**Hα-helixtrans-67.4-40.8174.4-72.3170.2000112.7H532 V533 K534 R539 E540H532-L536 WeakPolarHBondContact O-CG 3.45Å; H532-L536 PolarHBondContact O-N 3.01Å; V533-L536 PolarHBondContact O-N 3.34Å; K534-L536 PolarHBondContact O-N 3.48Å; L536-R539 WeakPolarHBondContact O-CB 3.43Å; L536-R539 PolarHBondContact O-N 3.06Å; L536-E540 WeakPolarHBondContact O-CB 3.32Å; L536-E540 PolarHBondContact O-N 3.49Å
537R76.1Confident70.4Confident165 Ų165113.7 Ų113.762%0.62357%0.569SS**Hα-helixtrans-66.2-37.5175.2-78-176.5-175.2158.62.8113.1V533 K534 R539 E540 R541V533-R537 PolarHBondContact O-N 3.27Å; K534-R537 PolarHBondContact O-N 2.87Å; K534-R537 VanDerWaalsContact O-N 3.09Å; R537-R539 VanDerWaalsContact C-N 3.32Å; R537-E540 PolarHBondContact O-N 3.45Å; R537-R541 WeakPolarHBondContact O-CB 3.41Å; R537-R541 PolarHBondContact O-N 2.93Å
538E69.9Low68.9Low112 Ų112120.8 Ų120.852%0.52359%0.594SS.*Hα-helixtrans-65.7-39.1177.3-139.571.3-151.900110.9K534 R541 L542K534-E538 PolarHBondContact O-N 3.42Å; E538-R541 PolarHBondContact O-N 3.06Å; E538-L542 WeakPolarHBondContact O-CG 3.38Å; E538-L542 PolarHBondContact O-N 3.23Å
539R68.9Low67.7Low176 Ų176121 Ų12166%0.66460%0.599SS**Hα-helixtrans-62.3-44171.9-174.7-179.1-177.7130.60.4111.7A535 L536 R537 L542 L543A535-R539 PolarHBondContact O-N 3.23Å; A535-R539 VanDerWaalsContact O-N 3.17Å; L536-R539 WeakPolarHBondContact O-CB 3.43Å; L536-R539 PolarHBondContact O-N 3.06Å; R537-R539 VanDerWaalsContact C-N 3.32Å; R539-L542 PolarHBondContact O-N 3.13Å; R539-L543 HydrophobicContact CG-CD1 4.19Å; R539-L543 WeakPolarHBondContact O-CD1 3.38Å; R539-L543 VanDerWaalsContact O-CG 3.3Å; R539-L543 WeakPolarHBondContact O-CG 3.46Å; R539-L543 PolarHBondContact O-N 3.38Å
540E64.2Low65.9Low129 Ų129121.2 Ų121.260%0.60360%0.6SS**Hα-helixtrans-63.3-42.5177.3-162.6176.4-157.400111.5L536 R537 L542 L543 V544L536-E540 WeakPolarHBondContact O-CB 3.32Å; L536-E540 PolarHBondContact O-N 3.49Å; R537-E540 PolarHBondContact O-N 3.45Å; E540-L542 PolarHBondContact O-N 2.9Å; E540-L543 PolarHBondContact O-N 3.45Å; E540-V544 WeakPolarHBondContact O-CG2 3.49Å; E540-V544 PolarHBondContact O-N 3Å
541R76.3Confident64.6Low183 Ų183122.8 Ų122.869%0.69161%0.612SS**Hα-helixtrans-62.3-42.1175.9-174.4-176.3170.5153.81.2112.6R537 E538 L543 V544 A545R537-R541 WeakPolarHBondContact O-CB 3.41Å; R537-R541 PolarHBondContact O-N 2.93Å; E538-R541 PolarHBondContact O-N 3.06Å; R541-L543 VanDerWaalsContact C-N 3.34Å; R541-V544 PolarHBondContact O-N 3.01Å; R541-A545 PolarHBondContact O-N 3.01Å
542L63.1Low63Low109 Ų109129.1 Ų129.157%0.57163%0.631SS**Hα-helixtrans-66.3-35.7176.9-79.9164.5000112.3E538 R539 E540 V544 A545E538-L542 WeakPolarHBondContact O-CG 3.38Å; E538-L542 PolarHBondContact O-N 3.23Å; R539-L542 PolarHBondContact O-N 3.13Å; E540-L542 PolarHBondContact O-N 2.9Å; L542-V544 VanDerWaalsContact C-N 3.27Å; L542-V544 PolarHBondContact O-N 3.27Å; L542-A545 PolarHBondContact O-N 3.12Å
543L57.8Low60.8Low99 Ų99126.2 Ų126.252%0.51863%0.63SS.*Hα-helixtrans-67.3-24.8175.3-74.9165.2000113.2R539 E540 R541R539-L543 HydrophobicContact CG-CD1 4.19Å; R539-L543 WeakPolarHBondContact O-CD1 3.38Å; R539-L543 VanDerWaalsContact O-CG 3.3Å; R539-L543 WeakPolarHBondContact O-CG 3.46Å; R539-L543 PolarHBondContact O-N 3.38Å; E540-L543 PolarHBondContact O-N 3.45Å; R541-L543 VanDerWaalsContact C-N 3.34Å
544V62.5Low58.8Low115 Ų115131.2 Ų131.270%0.69765%0.648SS**Hα-helixtrans-83.4-32.4177.3172.30000112.7E540 R541 L542E540-V544 WeakPolarHBondContact O-CG2 3.49Å; E540-V544 PolarHBondContact O-N 3Å; R541-V544 PolarHBondContact O-N 3.01Å; L542-V544 VanDerWaalsContact C-N 3.27Å; L542-V544 PolarHBondContact O-N 3.27Å
545A63.4Low56.8Low66 Ų66131.3 Ų131.355%0.54566%0.659SS.*Hα-helixtrans-79.5-23.4-175.800000114.2R541 L542R541-A545 PolarHBondContact O-N 3.01Å; L542-A545 PolarHBondContact O-N 3.12Å
546F54.4Low54.9Low126 Ų126136.9 Ų136.955%0.55367%0.674SS**  trans-131.786.4-178.7-63.9-81000110.7E548 L549F546-E548 PolarHBondContact O-N 2.96Å; F546-E548 VanDerWaalsContact O-N 3.1Å; F546-L549 HydrophobicContact CB-CD1 3.89Å; F546-L549 HydrophobicContact CB-CG 4.44Å; F546-L549 HydrophobicContact CG-CD1 4.49Å; F546-L549 PolarHBondContact O-N 3.49Å
547P53.2Low53.4Low101 Ų101136.6 Ų136.666%0.65668%0.679SS**G310 helixtrans-61-19179.5-22.333.1000114.2L549 N550P547-L549 PolarHBondContact O-N 3.5Å; P547-N550 WeakPolarHBondContact O-CB 3.46Å; P547-N550 PolarHBondContact O-N 3.25Å
548E48.7Very low51.6Low194 Ų194138 Ų13891%0.90769%0.693SS**G310 helixtrans-76.7-6.7-179.8-51.6-155-15400113.8F546 N550F546-E548 PolarHBondContact O-N 2.96Å; F546-E548 VanDerWaalsContact O-N 3.1Å; E548-N550 VanDerWaalsContact C-N 3.34Å
549L53.9Low50.4Low121 Ų121136.4 Ų136.463%0.63469%0.694SS**G310 helixtrans-92.310.4173-76165.8000113.3F546 P547 N551F546-L549 HydrophobicContact CB-CD1 3.89Å; F546-L549 HydrophobicContact CB-CG 4.44Å; F546-L549 HydrophobicContact CG-CD1 4.49Å; F546-L549 PolarHBondContact O-N 3.49Å; P547-L549 PolarHBondContact O-N 3.5Å; L549-N551 PolarHBondContact O-N 3.34Å
550N41.1Very low49.4Very low119 Ų119133.9 Ų133.964%0.63670%0.698SS**  trans-77.784.1176.7-161.623.8000111.2P547 E548 W552P547-N550 WeakPolarHBondContact O-CB 3.46Å; P547-N550 PolarHBondContact O-N 3.25Å; E548-N550 VanDerWaalsContact C-N 3.34Å; N550-W552 PolarHBondContact O-N 3.47Å
551N47.1Very low48.8Very low154 Ų154131.2 Ų131.282%0.82471%0.706SS**  trans-76112.1167.6-87.8-15.5000110.2L549 A553L549-N551 PolarHBondContact O-N 3.34Å; N551-A553 PolarHBondContact O-N 3.02Å
552W44.5Very low47.9Very low241 Ų241126.2 Ų126.291%0.91369%0.693SS**  trans-56.7117.9158.4-86.450.9000110.1N550N550-W552 PolarHBondContact O-N 3.47Å
553A32Very low48Very low74 Ų74127.8 Ų127.861%0.61270%0.701SS**  trans-171.398.3146.800000109.9N551N551-A553 PolarHBondContact O-N 3.02Å
554H35.5Very low48.2Very low175 Ų175128.7 Ų128.781%0.8171%0.705SS**  trans70.6133.9153.1-48.9-59.4000114.9
555T35.8Very low48.6Very low119 Ų119128 Ų12873%0.7370%0.697SS**  cis-175.511839.7-10.60000103.9
556Q32.4Very low48.5Very low182 Ų182128 Ų12885%0.8569%0.688SS**  61.4136.196.7-108.1-164.7-11.100115.7
557P41.3Very low48.9Very low109 Ų109127.5 Ų127.571%0.70869%0.688SS**  trans-86.2148.9-168.135.3-31.3000112.2
558Q38.8Very low49.8Very low194 Ų194128 Ų12891%0.90768%0.682SS**  trans-114.794.8158.4-67-175.9-21.800104.9
559S42.8Very low51Low79 Ų79125.7 Ų125.755%0.55267%0.671SS**  38.710869.8-169.20000112.9G561S559-G561 VanDerWaalsContact C-N 3.34Å
560T49.3Very low51.8Low122 Ų122126.1 Ų126.175%0.74867%0.67SS**  trans-919.4179-28.90000112.8N562T560-N562 PolarHBondContact O-N 3.27Å
561G50.2Low53.4Low74 Ų74126 Ų12676%0.76367%0.665SS**SBendtrans67.417.8172.700000115.5S559S559-G561 VanDerWaalsContact C-N 3.34Å
562N59Low54.7Low78 Ų78124.9 Ų124.942%0.41766%0.656SS.*  trans-130.7101171.7-170.8-20.5000110.1T560 I564 L565 D566T560-N562 PolarHBondContact O-N 3.27Å; N562-I564 PolarHBondContact O-N 3.3Å; N562-I564 VanDerWaalsContact O-N 3.08Å; N562-I564 PolarHBondContact OD1-N 2.92Å; N562-L565 HydrophobicContact CB-CB 4.48Å; N562-L565 HydrophobicContact CB-CD1 4.19Å; N562-L565 PolarHBondContact O-N 3.35Å; N562-L565 VanDerWaalsContact O-N 3.15Å; N562-D566 PolarHBondContact O-N 3.17Å
563L63.5Low56.1Low141 Ų141117.1 Ų117.174%0.73864%0.638SS**Hα-helixtrans-58.5-23.6-172.7-144.899.1000113.9M567L563-M567 PolarHBondContact O-N 2.97Å; L563-M567 VanDerWaalsContact O-N 3.16Å
564I63.8Low58.2Low119 Ų119117.7 Ų117.761%0.6163%0.631SS**Hα-helixtrans-79-41.7179.8-62.5-176.1000111.1N562 M567 E568N562-I564 PolarHBondContact O-N 3.3Å; N562-I564 VanDerWaalsContact O-N 3.08Å; N562-I564 PolarHBondContact OD1-N 2.92Å; I564-M567 PolarHBondContact O-N 3.09Å; I564-M567 VanDerWaalsContact O-N 3.17Å; I564-E568 PolarHBondContact O-N 3.31Å
565L70.6Confident60.2Low101 Ų101113.9 Ų113.953%0.52962%0.616SS.*Hα-helixtrans-68.4-37175.7-78.6163.5000111.5N562 M567 Q569N562-L565 HydrophobicContact CB-CB 4.48Å; N562-L565 HydrophobicContact CB-CD1 4.19Å; N562-L565 PolarHBondContact O-N 3.35Å; N562-L565 VanDerWaalsContact O-N 3.15Å; L565-M567 VanDerWaalsContact C-N 3.33Å; L565-M567 PolarHBondContact O-N 3.05Å; L565-Q569 PolarHBondContact O-N 3.32Å
566D60.3Low62Low64 Ų64113.3 Ų113.334%0.34261%0.608SS.*Hα-helixtrans-63.7-27.6169-90.4-30.3000113.1N562N562-D566 PolarHBondContact O-N 3.17Å
567M63.1Low64Low116 Ų116113.4 Ų113.457%0.57160%0.6SS**Hα-helixtrans-86.5-35.6174.2-92.1-172.358.200113.8L563 I564 L565 Q570 Q571L563-M567 PolarHBondContact O-N 2.97Å; L563-M567 VanDerWaalsContact O-N 3.16Å; I564-M567 PolarHBondContact O-N 3.09Å; I564-M567 VanDerWaalsContact O-N 3.17Å; L565-M567 VanDerWaalsContact C-N 3.33Å; L565-M567 PolarHBondContact O-N 3.05Å; M567-Q570 PolarHBondContact O-N 3.1Å; M567-Q571 WeakPolarHBondContact O-CB 3.34Å; M567-Q571 PolarHBondContact O-N 3.44Å
568E72.4Confident65.6Low111 Ų111112.2 Ų112.252%0.51959%0.587SS.*Hα-helixtrans-65.5-41.7179.9-91.2-178.415300112.8I564 Q570 Q571 Q572I564-E568 PolarHBondContact O-N 3.31Å; E568-Q570 VanDerWaalsContact C-N 3.32Å; E568-Q570 PolarHBondContact O-N 3.41Å; E568-Q571 PolarHBondContact O-N 3.42Å; E568-Q572 PolarHBondContact O-N 3.02Å
569Q73.4Confident67.4Low146 Ų146110.1 Ų110.168%0.68258%0.575SS**Hα-helixtrans-70-33.4179.8-158.3160.712.300111.5L565 S573L565-Q569 PolarHBondContact O-N 3.32Å; Q569-S573 PolarHBondContact O-N 3.34Å
570Q71.4Confident69Low130 Ų130110.6 Ų110.661%0.60757%0.57SS**Hα-helixtrans-71.5-35.9172.6-162.6168.4-5.500112M567 E568 N574M567-Q570 PolarHBondContact O-N 3.1Å; E568-Q570 VanDerWaalsContact C-N 3.32Å; E568-Q570 PolarHBondContact O-N 3.41Å; Q570-N574 WeakPolarHBondContact O-CB 3.49Å; Q570-N574 PolarHBondContact O-N 3.31Å; Q570-N574 VanDerWaalsContact O-N 3.14Å; Q570-N574 PolarHBondContact O-ND2 3.06Å
571Q74.4Confident70.2Confident116 Ų116109.1 Ų109.154%0.54256%0.558SS.*Hα-helixtrans-70.1-39.3174.1-173.1173.9-800112.9M567 E568 N574 N575M567-Q571 WeakPolarHBondContact O-CB 3.34Å; M567-Q571 PolarHBondContact O-N 3.44Å; E568-Q571 PolarHBondContact O-N 3.42Å; Q571-N574 PolarHBondContact O-N 3.14Å; Q571-N575 PolarHBondContact O-N 2.98Å
572Q75.1Confident71.4Confident132 Ų132111.1 Ų111.162%0.61755%0.547SS*.Hα-helixtrans-61.1-44.6173.8-81.3-175.3-900112.1E568 N575 I576E568-Q572 PolarHBondContact O-N 3.02Å; Q572-N575 WeakPolarHBondContact O-CB 3.42Å; Q572-N575 PolarHBondContact O-N 2.87Å; Q572-I576 WeakPolarHBondContact O-CG1 3.47Å; Q572-I576 PolarHBondContact O-N 3.05Å; Q572-I576 VanDerWaalsContact O-N 3.1Å
573S72.4Confident72.2Confident78 Ų78114 Ų11455%0.54556%0.558SS.*Hα-helixtrans-67.1-38.6179.9-154.80000111.9Q569 I576 R577Q569-S573 PolarHBondContact O-N 3.34Å; S573-I576 PolarHBondContact O-N 3.4Å; S573-R577 PolarHBondContact O-N 3.43Å
574N77.1Confident72.7Confident85 Ų85112.9 Ų112.946%0.45555%0.549SS..Hα-helixtrans-64.2-37.6172-75.8-22000112.8Q570 Q571 R577 I578Q570-N574 WeakPolarHBondContact O-CB 3.49Å; Q570-N574 PolarHBondContact O-N 3.31Å; Q570-N574 VanDerWaalsContact O-N 3.14Å; Q570-N574 PolarHBondContact O-ND2 3.06Å; Q571-N574 PolarHBondContact O-N 3.14Å; N574-R577 WeakPolarHBondContact O-CB 3.47Å; N574-R577 PolarHBondContact O-N 3.27Å; N574-I578 WeakPolarHBondContact O-CG1 3.42Å; N574-I578 PolarHBondContact O-N 3.07Å
575N76.6Confident73.2Confident95 Ų95111.7 Ų111.751%0.50854%0.544SS..Hα-helixtrans-63.5-38.5174.1-97.9-33.8000112.8Q571 Q572 I578 K579Q571-N575 PolarHBondContact O-N 2.98Å; Q572-N575 WeakPolarHBondContact O-CB 3.42Å; Q572-N575 PolarHBondContact O-N 2.87Å; N575-I578 PolarHBondContact O-N 3.17Å; N575-K579 PolarHBondContact O-N 3.45Å
576I74Confident73.4Confident108 Ų108110.7 Ų110.755%0.55454%0.542SS*.Hα-helixtrans-64.5-43.5174-66.1169.1000110.3Q572 S573 I578 K579 I580Q572-I576 WeakPolarHBondContact O-CG1 3.47Å; Q572-I576 PolarHBondContact O-N 3.05Å; Q572-I576 VanDerWaalsContact O-N 3.1Å; S573-I576 PolarHBondContact O-N 3.4Å; I576-I578 VanDerWaalsContact C-N 3.32Å; I576-I578 PolarHBondContact O-N 3.35Å; I576-K579 PolarHBondContact O-N 3.29Å; I576-I580 HydrophobicContact CG2-CD1 4.08Å; I576-I580 WeakPolarHBondContact O-CG1 3.48Å; I576-I580 PolarHBondContact O-N 3.42Å
577R75.4Confident73.9Confident183 Ų183111.8 Ų111.869%0.69155%0.551SS**Hα-helixtrans-61.3-37.1177.1-166.1171.3-178.41540.4112.5S573 N574 L581S573-R577 PolarHBondContact O-N 3.43Å; N574-R577 WeakPolarHBondContact O-CB 3.47Å; N574-R577 PolarHBondContact O-N 3.27Å; R577-L581 HydrophobicContact CG-CD1 4.46Å; R577-L581 WeakPolarHBondContact O-CD1 3.47Å; R577-L581 WeakPolarHBondContact O-CG 3.47Å; R577-L581 PolarHBondContact O-N 3.2Å
578I74.4Confident74.2Confident85 Ų85111.1 Ų111.144%0.43655%0.549SS..Hα-helixtrans-70.4-46176-69.5167.2000111.6N574 N575 I576 I580 L581 E582N574-I578 WeakPolarHBondContact O-CG1 3.42Å; N574-I578 PolarHBondContact O-N 3.07Å; N575-I578 PolarHBondContact O-N 3.17Å; I576-I578 VanDerWaalsContact C-N 3.32Å; I576-I578 PolarHBondContact O-N 3.35Å; I578-I580 VanDerWaalsContact C-N 3.31Å; I578-I580 PolarHBondContact O-N 3.3Å; I578-L581 PolarHBondContact O-N 2.98Å; I578-L581 VanDerWaalsContact O-N 3.17Å; I578-E582 HydrophobicContact CG2-CG 4.23Å; I578-E582 WeakPolarHBondContact O-CG 3.47Å; I578-E582 PolarHBondContact O-N 3.47Å
579K76.8Confident74Confident150 Ų150112.1 Ų112.165%0.65255%0.553SS**Hα-helixtrans-58.1-39.7179.9-117.1178.3-179.3176.60113.5N575 I576 Q583N575-K579 PolarHBondContact O-N 3.45Å; I576-K579 PolarHBondContact O-N 3.29Å; K579-Q583 PolarHBondContact O-N 2.97Å
580I75.8Confident73.7Confident88 Ų88112 Ų11245%0.45155%0.551SS.*Hα-helixtrans-69.7-43.8178.1-66.1172.6000110.3I576 I578 E582 Q583 E584I576-I580 HydrophobicContact CG2-CD1 4.08Å; I576-I580 WeakPolarHBondContact O-CG1 3.48Å; I576-I580 PolarHBondContact O-N 3.42Å; I578-I580 VanDerWaalsContact C-N 3.31Å; I578-I580 PolarHBondContact O-N 3.3Å; I580-E582 VanDerWaalsContact C-N 3.31Å; I580-E582 PolarHBondContact O-N 3.4Å; I580-Q583 PolarHBondContact O-N 3.25Å; I580-E584 PolarHBondContact O-N 3.45Å
581L74.4Confident73.2Confident92 Ų92108.7 Ų108.748%0.48254%0.542SS..Hα-helixtrans-65.8-31.5176.3-74.7169.7000113.1R577 I578 N585R577-L581 HydrophobicContact CG-CD1 4.46Å; R577-L581 WeakPolarHBondContact O-CD1 3.47Å; R577-L581 WeakPolarHBondContact O-CG 3.47Å; R577-L581 PolarHBondContact O-N 3.2Å; I578-L581 PolarHBondContact O-N 2.98Å; I578-L581 VanDerWaalsContact O-N 3.17Å; L581-N585 WeakPolarHBondContact O-CB 3.4Å; L581-N585 PolarHBondContact O-N 3.26Å; L581-N585 PolarHBondContact O-ND2 3.06Å; L581-N585 VanDerWaalsContact O-ND2 3.11Å
582E74.8Confident72.7Confident116 Ų116107.9 Ų107.954%0.54254%0.541SS..Hα-helixtrans-70.5-42.1172.6-75.5176.4162.500111.9I578 I580 E584 N585 V586I578-E582 HydrophobicContact CG2-CG 4.23Å; I578-E582 WeakPolarHBondContact O-CG 3.47Å; I578-E582 PolarHBondContact O-N 3.47Å; I580-E582 VanDerWaalsContact C-N 3.31Å; I580-E582 PolarHBondContact O-N 3.4Å; E582-E584 VanDerWaalsContact C-N 3.35Å; E582-E584 PolarHBondContact O-N 3.03Å; E582-N585 PolarHBondContact O-N 3.42Å; E582-V586 WeakPolarHBondContact O-CB 3.38Å; E582-V586 VanDerWaalsContact O-CG2 3.27Å; E582-V586 WeakPolarHBondContact O-CG2 3.48Å; E582-V586 PolarHBondContact O-N 3.23Å
583Q75.9Confident72.1Confident137 Ų137107.3 Ų107.364%0.6454%0.538SS*.Hα-helixtrans-61.2-42.9174.3-85.7-176-26.700112K579 I580 V586 T587K579-Q583 PolarHBondContact O-N 2.97Å; I580-Q583 PolarHBondContact O-N 3.25Å; Q583-V586 PolarHBondContact O-N 3.27Å; Q583-T587 WeakPolarHBondContact O-CB 3.35Å; Q583-T587 PolarHBondContact O-N 2.88Å; Q583-T587 PolarHBondContact O-OG1 3.49Å
584E74Confident71.3Confident118 Ų118111.8 Ų111.855%0.55155%0.548SS*.Hα-helixtrans-70.9-37.2177.8-72.1-172.3161.200112I580 E582 T587 L588I580-E584 PolarHBondContact O-N 3.45Å; E582-E584 VanDerWaalsContact C-N 3.35Å; E582-E584 PolarHBondContact O-N 3.03Å; E584-T587 CarbonylContact O-C 3.59Å; E584-T587 WeakPolarHBondContact O-CB 3.4Å; E584-T587 PolarHBondContact O-N 3.35Å; E584-L588 WeakPolarHBondContact O-CB 3.5Å; E584-L588 PolarHBondContact O-N 3.1Å
585N75.8Confident70Confident94 Ų94114 Ų11450%0.50356%0.559SS.*Hα-helixtrans-66.2-37.2172-90.6-54.8000113.1L581 E582 T587 L588 H589L581-N585 WeakPolarHBondContact O-CB 3.4Å; L581-N585 PolarHBondContact O-N 3.26Å; L581-N585 PolarHBondContact O-ND2 3.06Å; L581-N585 VanDerWaalsContact O-ND2 3.11Å; E582-N585 PolarHBondContact O-N 3.42Å; N585-T587 VanDerWaalsContact C-N 3.26Å; N585-T587 PolarHBondContact O-N 3.28Å; N585-L588 CarbonylContact O-C 3.6Å; N585-L588 PolarHBondContact O-N 3.14Å; N585-H589 WeakPolarHBondContact O-CB 3.43Å; N585-H589 PolarHBondContact O-N 3.19Å
586V75Confident69Low80 Ų80119.7 Ų119.749%0.48557%0.573SS.*Hα-helixtrans-63.8-36.7171.7167.80000110.6E582 Q583 H589 K590E582-V586 WeakPolarHBondContact O-CB 3.38Å; E582-V586 VanDerWaalsContact O-CG2 3.27Å; E582-V586 WeakPolarHBondContact O-CG2 3.48Å; E582-V586 PolarHBondContact O-N 3.23Å; Q583-V586 PolarHBondContact O-N 3.27Å; V586-H589 PolarHBondContact O-N 2.88Å; V586-K590 WeakPolarHBondContact O-CB 3.46Å; V586-K590 PolarHBondContact O-N 3.34Å
587T69.8Low67.9Low87 Ų87122.6 Ų122.653%0.53459%0.585SS.*Hα-helixtrans-69.1-40.9176.2-52.80000111.1Q583 E584 N585 S591Q583-T587 WeakPolarHBondContact O-CB 3.35Å; Q583-T587 PolarHBondContact O-N 2.88Å; Q583-T587 PolarHBondContact O-OG1 3.49Å; E584-T587 CarbonylContact O-C 3.59Å; E584-T587 WeakPolarHBondContact O-CB 3.4Å; E584-T587 PolarHBondContact O-N 3.35Å; N585-T587 VanDerWaalsContact C-N 3.26Å; N585-T587 PolarHBondContact O-N 3.28Å; T587-S591 WeakPolarHBondContact O-CB 3.3Å; T587-S591 PolarHBondContact O-N 3.5Å; T587-S591 PolarHBondContact O-OG 2.97Å
588L70Confident66.4Low102 Ų102125.2 Ų125.253%0.53460%0.595SS.*Hα-helixtrans-64.6-39.5171.4-83.4160.7000112.1E584 N585 S591 L592E584-L588 WeakPolarHBondContact O-CB 3.5Å; E584-L588 PolarHBondContact O-N 3.1Å; N585-L588 CarbonylContact O-C 3.6Å; N585-L588 PolarHBondContact O-N 3.14Å; L588-S591 WeakPolarHBondContact O-CB 3.5Å; L588-S591 PolarHBondContact O-N 3.37Å; L588-L592 WeakPolarHBondContact O-CB 3.35Å; L588-L592 WeakPolarHBondContact O-CG 3.5Å; L588-L592 PolarHBondContact O-N 3.37Å
589H67Low65Low132 Ų132127.7 Ų127.761%0.61164%0.641SS**Hα-helixtrans-67.8-43.9176-99.9-29.4000112.4N585 V586 S591 L592 E593N585-H589 WeakPolarHBondContact O-CB 3.43Å; N585-H589 PolarHBondContact O-N 3.19Å; V586-H589 PolarHBondContact O-N 2.88Å; H589-S591 PolarHBondContact O-N 3.4Å; H589-L592 CarbonylContact O-C 3.57Å; H589-L592 PolarHBondContact O-N 3.42Å; H589-E593 WeakPolarHBondContact O-CB 3.33Å; H589-E593 PolarHBondContact O-N 3.17Å
590K67.2Low64.4Low143 Ų143126.6 Ų126.662%0.62264%0.64SS**Hα-helixtrans-60.5-33.3171.9-82.4-179176.1176.20112.2V586 K594V586-K590 WeakPolarHBondContact O-CB 3.46Å; V586-K590 PolarHBondContact O-N 3.34Å; K590-K594 PolarHBondContact O-N 3.08Å; K590-K594 VanDerWaalsContact O-N 3.09Å
591S62.3Low63.8Low62 Ų62128.6 Ų128.643%0.43465%0.65SS.*Hα-helixtrans-73.2-38.7176.6-550000111.6T587 L588 H589 K594 L595T587-S591 WeakPolarHBondContact O-CB 3.3Å; T587-S591 PolarHBondContact O-N 3.5Å; T587-S591 PolarHBondContact O-OG 2.97Å; L588-S591 WeakPolarHBondContact O-CB 3.5Å; L588-S591 PolarHBondContact O-N 3.37Å; H589-S591 PolarHBondContact O-N 3.4Å; S591-K594 PolarHBondContact O-N 3.36Å; S591-L595 PolarHBondContact O-N 3.16Å; S591-L595 VanDerWaalsContact O-N 3.08Å
592L62.9Low63.2Low98 Ų98130.6 Ų130.651%0.51366%0.66SS.*Hα-helixtrans-68.4-31.7171.8-80.8165.6000113.1L588 H589 L595 R596L588-L592 WeakPolarHBondContact O-CB 3.35Å; L588-L592 WeakPolarHBondContact O-CG 3.5Å; L588-L592 PolarHBondContact O-N 3.37Å; H589-L592 CarbonylContact O-C 3.57Å; H589-L592 PolarHBondContact O-N 3.42Å; L592-L595 HydrophobicContact CD2-CD1 4.03Å; L592-L595 CarbonylContact O-C 3.55Å; L592-L595 WeakPolarHBondContact O-CA 3.49Å; L592-L595 VanDerWaalsContact O-CB 3.29Å; L592-L595 WeakPolarHBondContact O-CB 3.5Å; L592-L595 PolarHBondContact O-N 3.15Å; L592-L595 VanDerWaalsContact O-N 3.15Å; L592-R596 PolarHBondContact O-N 3.18Å
593E62.6Low62.6Low120 Ų120131.5 Ų131.556%0.56167%0.667SS**Hα-helixtrans-72.9-33.4175.3-159.5138.5-141.500111.4H589 L595 R596 Q597H589-E593 WeakPolarHBondContact O-CB 3.33Å; H589-E593 PolarHBondContact O-N 3.17Å; E593-L595 VanDerWaalsContact C-N 3.27Å; E593-L595 PolarHBondContact O-N 2.98Å; E593-R596 WeakPolarHBondContact O-CB 3.49Å; E593-R596 PolarHBondContact O-N 3.18Å; E593-Q597 PolarHBondContact O-N 3.32Å
594K55Low61.7Low173 Ų173131.1 Ų131.175%0.75267%0.668SS**Hα-helixtrans-66.8-26.9166.3-80-176.2176.6-179.20113.2K590 S591 R596K590-K594 PolarHBondContact O-N 3.08Å; K590-K594 VanDerWaalsContact O-N 3.09Å; S591-K594 PolarHBondContact O-N 3.36Å; K594-R596 VanDerWaalsContact C-N 3.27Å
595L51.4Low60.9Low132 Ų132132 Ų13269%0.69168%0.676SS**THydrogen-bonded Turntrans-72.8-13167.7-81.6160000113.3S591 L592 E593S591-L595 PolarHBondContact O-N 3.16Å; S591-L595 VanDerWaalsContact O-N 3.08Å; L592-L595 HydrophobicContact CD2-CD1 4.03Å; L592-L595 CarbonylContact O-C 3.55Å; L592-L595 WeakPolarHBondContact O-CA 3.49Å; L592-L595 VanDerWaalsContact O-CB 3.29Å; L592-L595 WeakPolarHBondContact O-CB 3.5Å; L592-L595 PolarHBondContact O-N 3.15Å; L592-L595 VanDerWaalsContact O-N 3.15Å; E593-L595 VanDerWaalsContact C-N 3.27Å; E593-L595 PolarHBondContact O-N 2.98Å
596R54.9Low59.8Low213 Ų213134.7 Ų134.780%0.80469%0.689SS**THydrogen-bonded Turntrans-97-19.7-178-143-177.5-143.4178.96.1114.8L592 E593 K594L592-R596 PolarHBondContact O-N 3.18Å; E593-R596 WeakPolarHBondContact O-CB 3.49Å; E593-R596 PolarHBondContact O-N 3.18Å; K594-R596 VanDerWaalsContact C-N 3.27Å
597Q49.8Very low58.7Low169 Ų169138.9 Ų138.979%0.7970%0.704SS**SBendtrans-101.24.7-179-73.1-172.3-1.400114.9E593E593-Q597 PolarHBondContact O-N 3.32Å
598R44.8Very low57.8Low238 Ų238143.3 Ų143.390%0.89872%0.718SS**  trans-135.752164.7-76.8-171.3177.5-167.1-1.7110.7
599G45.2Very low56.6Low137 Ų137147 Ų147100%1.41274%0.735SS**  trans-75.90132.500000108.7

Retrieved 599 of 599 residues in 141.8 ms (Link to these results)