A0A061IQ17_CRIGR Loading...

Ankyrin repeat domain 34A

AlphaFold DB , UniProt , Accession A0A061IQ17, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ankrd34a, Length 495 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
1M33.6Very low66.3Low227 Ų227101.6 Ų101.6100%1.11852%0.521SS*.  01300-68.9169.4175.300107.7
2L37Very low68.6Low135 Ų13593.3 Ų93.371%0.70748%0.479SS*.  trans-120.1111.8176.6-78.2172.9000108.2T4L2-T4 HydrophobicContact CB-CG2 3.96Å; L2-T4 HydrophobicContact CD1-CG2 4.46Å; L2-T4 HydrophobicContact CD2-CG2 4.41Å; L2-T4 PolarHBondContact O-N 2.75Å; L2-T4 VanDerWaalsContact O-N 3.12Å; L2-T4 PolarHBondContact O-OG1 3.17Å
3H41.7Very low70.5Confident171 Ų17186.2 Ų86.279%0.79244%0.442SS*.  trans-82.775.5167.3-62110.6000107.7
4T51.9Low71.9Confident63 Ų6382.6 Ų82.639%0.38744%0.437SS..  trans-96.2-22-16820.60000115.3L2L2-T4 HydrophobicContact CB-CG2 3.96Å; L2-T4 HydrophobicContact CD1-CG2 4.46Å; L2-T4 HydrophobicContact CD2-CG2 4.41Å; L2-T4 PolarHBondContact O-N 2.75Å; L2-T4 VanDerWaalsContact O-N 3.12Å; L2-T4 PolarHBondContact O-OG1 3.17Å
5E51.8Low73.2Confident187 Ų18784.4 Ų84.487%0.87444%0.442SS*.G310 helixtrans-80.4-42.6-162.1-59.4-174.2159.500112.9H7E5-H7 VanDerWaalsContact C-N 3.34Å; E5-H7 PolarHBondContact O-N 3.48Å
6G62.5Low74.3Confident46 Ų4679.8 Ų79.847%0.47442%0.421SS..G310 helixtrans-78.9-2.1-179.400000116.6
7H83.7Confident75.4Confident60 Ų6081.1 Ų81.128%0.27842%0.422SS..G310 helixtrans-132.517.5-170.4-55.5-29.3000114.2E5 R11E5-H7 VanDerWaalsContact C-N 3.34Å; E5-H7 PolarHBondContact O-N 3.48Å; H7-R11 WeakPolarHBondContact O-CG 3.48Å; H7-R11 PolarHBondContact O-N 2.98Å; H7-R11 VanDerWaalsContact O-N 3.16Å
8A90.8Very high76.4Confident42 Ų4278.4 Ų78.435%0.34741%0.408SS..Hα-helixtrans-61.3-44.9179.500000112.5R11 A12 L24A8-R11 PolarHBondContact O-N 2.92Å; A8-A12 PolarHBondContact O-N 3.24Å; A8-L24 HydrophobicContact CB-CD1 4.18Å; A8-L24 HydrophobicContact CB-CD2 4.19Å
9L93.1Very high77.4Confident8 Ų885.7 Ų85.74%0.04243%0.43CS..Hα-helixtrans-61.6-51.7179.517963.8000111.6R11 A12 V13 A21 L24 L25 A41L9-R11 VanDerWaalsContact C-N 3.25Å; L9-R11 PolarHBondContact O-N 3.4Å; L9-A12 WeakPolarHBondContact O-CB 3.41Å; L9-A12 PolarHBondContact O-N 2.93Å; L9-V13 HydrophobicContact CD1-CG2 4.05Å; L9-V13 HydrophobicContact CG-CG2 4.36Å; L9-V13 WeakPolarHBondContact O-CB 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.12Å; L9-V13 PolarHBondContact O-N 3.12Å; L9-A21 HydrophobicContact CD1-CB 4.19Å; L9-L24 HydrophobicContact CD1-CB 4.31Å; L9-L25 HydrophobicContact CD1-CD1 4.39Å; L9-L25 HydrophobicContact CD1-CD2 4.06Å; L9-L25 HydrophobicContact CD1-CG 3.94Å; L9-L25 HydrophobicContact CD2-CD2 3.61Å; L9-L25 HydrophobicContact CD2-CG 4.4Å; L9-L25 HydrophobicContact CG-CD2 4.5Å; L9-A41 HydrophobicContact CD2-CB 3.73Å; L9-A41 HydrophobicContact CG-CB 3.93Å
10L92.4Very high78.2Confident22 Ų2285.3 Ų85.312%0.11543%0.428CS..Hα-helixtrans-59.2-37.7-179.8-74.362.9000111.5G14 D35 E39 A41L10-G14 PolarHBondContact O-N 3.33Å; L10-D35 HydrophobicContact CD2-CB 3.61Å; L10-E39 VanDerWaalsContact CD2-O 3.22Å; L10-E39 WeakPolarHBondContact CD2-O 3.47Å; L10-A41 HydrophobicContact CD1-CB 4.22Å
11R91.3Very high79Confident157 Ų15781.2 Ų81.259%0.59241%0.408SS*.Hα-helixtrans-69.1-38.3174.2-78-179.4153.6-140.7-7.9113.3H7 A8 L9 Q15H7-R11 WeakPolarHBondContact O-CG 3.48Å; H7-R11 PolarHBondContact O-N 2.98Å; H7-R11 VanDerWaalsContact O-N 3.16Å; A8-R11 PolarHBondContact O-N 2.92Å; L9-R11 VanDerWaalsContact C-N 3.25Å; L9-R11 PolarHBondContact O-N 3.4Å; R11-Q15 WeakPolarHBondContact O-CB 3.23Å; R11-Q15 WeakPolarHBondContact O-CG 3.49Å; R11-Q15 PolarHBondContact O-N 2.93Å
12A93.1Very high81.9Confident2 Ų275 Ų752%0.01737%0.372CS..Hα-helixtrans-66.7-44.9175.400000111.5A8 L9 Q15 G16 K17 L20 L24A8-A12 PolarHBondContact O-N 3.24Å; L9-A12 WeakPolarHBondContact O-CB 3.41Å; L9-A12 PolarHBondContact O-N 2.93Å; A12-Q15 PolarHBondContact O-N 3.41Å; A12-G16 PolarHBondContact O-N 2.69Å; A12-K17 PolarHBondContact O-N 2.87Å; A12-L20 HydrophobicContact CB-CB 4.08Å; A12-L20 HydrophobicContact CB-CD2 3.71Å; A12-L20 HydrophobicContact CB-CG 3.71Å; A12-L24 HydrophobicContact CB-CD1 3.86Å
13V93.9Very high84.7Confident0 Ų074 Ų740%037%0.367CS..Hα-helixtrans-65.5-49.3178171.60000111.2L9 Q15 G16 A21 A41 A44 A45 Y50 M59 L63L9-V13 HydrophobicContact CD1-CG2 4.05Å; L9-V13 HydrophobicContact CG-CG2 4.36Å; L9-V13 WeakPolarHBondContact O-CB 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.12Å; L9-V13 PolarHBondContact O-N 3.12Å; V13-Q15 PolarHBondContact O-N 3.29Å; V13-Q15 VanDerWaalsContact O-N 3.08Å; V13-G16 PolarHBondContact O-N 3.46Å; V13-A21 HydrophobicContact CG2-CB 3.88Å; V13-A41 WeakPolarHBondContact CG1-O 3.3Å; V13-A41 HydrophobicContact CG2-CB 4.47Å; V13-A44 HydrophobicContact CG1-CB 4.41Å; V13-A45 HydrophobicContact CG1-CB 3.58Å; V13-Y50 WeakPolarHBondContact O-CE1 3.46Å; V13-Y50 PolarHBondContact O-OH 3.02Å; V13-M59 HydrophobicContact CB-SD 4.41Å; V13-M59 HydrophobicContact CG1-CG 3.93Å; V13-M59 HydrophobicContact CG1-SD 4.25Å; V13-M59 HydrophobicContact CG2-SD 3.97Å; V13-L63 HydrophobicContact CG1-CD1 4.06Å; V13-L63 HydrophobicContact CG2-CD1 4.24Å; V13-L63 HydrophobicContact CG2-CD2 4.33Å
14G90.5Very high87.2Confident36 Ų3668 Ų6837%0.37134%0.34SS..Hα-helixtrans-61.1-19.2177.500000114.5L10L10-G14 PolarHBondContact O-N 3.33Å
15Q90.2Very high89.2Confident110 Ų11065.8 Ų65.851%0.51433%0.326SS..THydrogen-bonded Turntrans-976.1173.8-67.3173.322.700113.6R11 A12 V13 K17R11-Q15 WeakPolarHBondContact O-CB 3.23Å; R11-Q15 WeakPolarHBondContact O-CG 3.49Å; R11-Q15 PolarHBondContact O-N 2.93Å; A12-Q15 PolarHBondContact O-N 3.41Å; V13-Q15 PolarHBondContact O-N 3.29Å; V13-Q15 VanDerWaalsContact O-N 3.08Å; Q15-K17 HydrophobicContact CB-CD 4.04Å; Q15-K17 HydrophobicContact CB-CG 4.07Å; Q15-K17 PolarHBondContact O-N 2.96Å; Q15-K17 VanDerWaalsContact OE1-CE 3.32Å
16G91.1Very high91.2Very high10 Ų1062.9 Ų62.910%0.10331%0.313CS..THydrogen-bonded Turntrans69.713.4178.800000114.4A12 V13 L18 N55 M59A12-G16 PolarHBondContact O-N 2.69Å; V13-G16 PolarHBondContact O-N 3.46Å; G16-L18 VanDerWaalsContact C-N 3.3Å; G16-L18 PolarHBondContact O-N 3.24Å; G16-N55 PolarHBondContact O-ND2 3.22Å; G16-M59 VanDerWaalsContact C-CE 3.44Å
17K93.1Very high92.6Very high103 Ų10363.8 Ų63.845%0.44832%0.322SS..  trans-83.369-172.3-68.2176.2175.3169.90111.3A12 Q15 R19 L20 A21A12-K17 PolarHBondContact O-N 2.87Å; Q15-K17 HydrophobicContact CB-CD 4.04Å; Q15-K17 HydrophobicContact CB-CG 4.07Å; Q15-K17 PolarHBondContact O-N 2.96Å; Q15-K17 VanDerWaalsContact OE1-CE 3.32Å; K17-R19 PolarHBondContact O-N 2.85Å; K17-R19 VanDerWaalsContact O-N 3.13Å; K17-L20 HydrophobicContact CB-CB 3.93Å; K17-L20 HydrophobicContact CD-CD2 4.28Å; K17-L20 WeakPolarHBondContact O-CA 3.46Å; K17-L20 WeakPolarHBondContact O-CB 3.32Å; K17-L20 PolarHBondContact O-N 3.31Å; K17-A21 PolarHBondContact O-N 3.07Å
18L93.7Very high92.9Very high33 Ų3363.5 Ų63.517%0.17334%0.336CS..Hα-helixtrans-51.6-38.8-176.1-179.259.9000113.6G16 L20 A21 R22 R58 M59 Y62G16-L18 VanDerWaalsContact C-N 3.3Å; G16-L18 PolarHBondContact O-N 3.24Å; L18-L20 PolarHBondContact O-N 3.49Å; L18-A21 PolarHBondContact O-N 3.39Å; L18-R22 WeakPolarHBondContact O-CB 3.35Å; L18-R22 VanDerWaalsContact O-CG 3.31Å; L18-R22 WeakPolarHBondContact O-CG 3.32Å; L18-R22 PolarHBondContact O-N 3.48Å; L18-R58 HydrophobicContact CD2-CB 4.2Å; L18-M59 HydrophobicContact CB-CE 4.09Å; L18-M59 HydrophobicContact CD1-SD 3.9Å; L18-Y62 HydrophobicContact CD1-CD1 3.77Å; L18-Y62 HydrophobicContact CD1-CG 4.14Å
19R94.7Very high92.9Very high216 Ų21663.2 Ų63.282%0.81533%0.333SS*.Hα-helixtrans-64.3-34.3174.4-80.3-176.7168.5176.2-3.9113.7K17 L23K17-R19 PolarHBondContact O-N 2.85Å; K17-R19 VanDerWaalsContact O-N 3.13Å; R19-L23 WeakPolarHBondContact O-CG 3.39Å; R19-L23 PolarHBondContact O-N 3.04Å
20L94.4Very high92.8Very high77 Ų7770.7 Ų70.740%0.40336%0.362SS..Hα-helixtrans-78.9-38.4177.4-178.261000111.1A12 K17 L18 R22 L23 L24A12-L20 HydrophobicContact CB-CB 4.08Å; A12-L20 HydrophobicContact CB-CD2 3.71Å; A12-L20 HydrophobicContact CB-CG 3.71Å; K17-L20 HydrophobicContact CB-CB 3.93Å; K17-L20 HydrophobicContact CD-CD2 4.28Å; K17-L20 WeakPolarHBondContact O-CA 3.46Å; K17-L20 WeakPolarHBondContact O-CB 3.32Å; K17-L20 PolarHBondContact O-N 3.31Å; L18-L20 PolarHBondContact O-N 3.49Å; L20-R22 VanDerWaalsContact C-N 3.32Å; L20-R22 PolarHBondContact O-N 3.37Å; L20-L23 PolarHBondContact O-N 3.41Å; L20-L24 HydrophobicContact CD1-CD1 4.38Å; L20-L24 HydrophobicContact CD1-CG 4.44Å; L20-L24 HydrophobicContact CG-CD1 4.1Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.26Å; L20-L24 PolarHBondContact O-N 3.39Å
21A94.4Very high92.8Very high0 Ų070.5 Ų70.50%036%0.362CS..Hα-helixtrans-60.1-42.1173.100000111.7L9 V13 K17 L18 L24 L25 M59L9-A21 HydrophobicContact CD1-CB 4.19Å; V13-A21 HydrophobicContact CG2-CB 3.88Å; K17-A21 PolarHBondContact O-N 3.07Å; L18-A21 PolarHBondContact O-N 3.39Å; A21-L24 PolarHBondContact O-N 3.4Å; A21-L25 WeakPolarHBondContact O-CG 3.4Å; A21-L25 PolarHBondContact O-N 3.37Å; A21-L25 VanDerWaalsContact O-N 3.07Å; A21-M59 HydrophobicContact CB-SD 4.01Å
22R95.2Very high92.9Very high96 Ų9665.3 Ų65.336%0.36235%0.346SS..Hα-helixtrans-54.4-59.6171.5-79.8166.5180-102.5-7.8112.5L18 L20 L24 L25 E26 Y62L18-R22 WeakPolarHBondContact O-CB 3.35Å; L18-R22 VanDerWaalsContact O-CG 3.31Å; L18-R22 WeakPolarHBondContact O-CG 3.32Å; L18-R22 PolarHBondContact O-N 3.48Å; L20-R22 VanDerWaalsContact C-N 3.32Å; L20-R22 PolarHBondContact O-N 3.37Å; R22-L24 PolarHBondContact O-N 3.26Å; R22-L24 VanDerWaalsContact O-N 3.12Å; R22-L25 PolarHBondContact O-N 2.9Å; R22-L25 VanDerWaalsContact O-N 3.1Å; R22-E26 VanDerWaalsContact O-CB 3.31Å; R22-E26 WeakPolarHBondContact O-CB 3.37Å; R22-E26 VanDerWaalsContact O-CG 3.26Å; R22-E26 WeakPolarHBondContact O-CG 3.34Å; R22-E26 PolarHBondContact O-N 3.22Å; R22-Y62 HydrophobicContact CB-CE1 4.17Å; R22-Y62 HydrophobicContact CG-CD1 3.94Å; R22-Y62 HydrophobicContact CG-CE1 3.3Å; R22-Y62 HydrophobicContact CG-CE2 4.09Å; R22-Y62 VanDerWaalsContact CG-CZ 3.43Å
23L95.8Very high92.8Very high116 Ų11669.6 Ų69.661%0.60737%0.365SS*.Hα-helixtrans-59.6-26.2-179.4-69.5170.3000113.9R19 L20 G27R19-L23 WeakPolarHBondContact O-CG 3.39Å; R19-L23 PolarHBondContact O-N 3.04Å; L20-L23 PolarHBondContact O-N 3.41Å; L23-G27 PolarHBondContact O-N 2.92Å
24L94.1Very high92.6Very high43 Ų4371.1 Ų71.123%0.22538%0.382CS..Hα-helixtrans-77.4-42.3175.5-71.6168.5000112.2A8 L9 A12 L20 A21 R22 G27 G28 A29A8-L24 HydrophobicContact CB-CD1 4.18Å; A8-L24 HydrophobicContact CB-CD2 4.19Å; L9-L24 HydrophobicContact CD1-CB 4.31Å; A12-L24 HydrophobicContact CB-CD1 3.86Å; L20-L24 HydrophobicContact CD1-CD1 4.38Å; L20-L24 HydrophobicContact CD1-CG 4.44Å; L20-L24 HydrophobicContact CG-CD1 4.1Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.26Å; L20-L24 PolarHBondContact O-N 3.39Å; A21-L24 PolarHBondContact O-N 3.4Å; R22-L24 PolarHBondContact O-N 3.26Å; R22-L24 VanDerWaalsContact O-N 3.12Å; L24-G27 CarbonylContact O-C 3.42Å; L24-G27 WeakPolarHBondContact O-CA 3.44Å; L24-G27 PolarHBondContact O-N 3.28Å; L24-G28 PolarHBondContact O-N 2.71Å; L24-A29 HydrophobicContact CB-CB 4.25Å; L24-A29 WeakPolarHBondContact O-CB 3.47Å; L24-A29 PolarHBondContact O-N 3.33Å
25L93.7Very high92.6Very high18 Ų1871.6 Ų71.69%0.09438%0.375CS..Hα-helixtrans-71-43.2176.1-66.9176000111.7L9 A21 R22 G27 G28 A29 V31 Y62 L63 Q66L9-L25 HydrophobicContact CD1-CD1 4.39Å; L9-L25 HydrophobicContact CD1-CD2 4.06Å; L9-L25 HydrophobicContact CD1-CG 3.94Å; L9-L25 HydrophobicContact CD2-CD2 3.61Å; L9-L25 HydrophobicContact CD2-CG 4.4Å; L9-L25 HydrophobicContact CG-CD2 4.5Å; A21-L25 WeakPolarHBondContact O-CG 3.4Å; A21-L25 PolarHBondContact O-N 3.37Å; A21-L25 VanDerWaalsContact O-N 3.07Å; R22-L25 PolarHBondContact O-N 2.9Å; R22-L25 VanDerWaalsContact O-N 3.1Å; L25-G27 PolarHBondContact O-N 3.19Å; L25-G28 PolarHBondContact O-N 3Å; L25-A29 VanDerWaalsContact CD2-O 3.26Å; L25-A29 WeakPolarHBondContact CD2-O 3.38Å; L25-V31 HydrophobicContact CD1-CG2 4.38Å; L25-V31 HydrophobicContact CD2-CB 3.86Å; L25-V31 HydrophobicContact CD2-CG2 4.14Å; L25-Y62 HydrophobicContact CD1-CE1 3.82Å; L25-L63 HydrophobicContact CD1-CD2 3.99Å; L25-Q66 HydrophobicContact CD1-CB 4.02Å; L25-Q66 HydrophobicContact CD1-CG 3.88Å
26E93.8Very high92.5Very high125 Ų12569.3 Ų69.358%0.58438%0.375SS*.Hα-helixtrans-59-29.5169.7-67.9162.3-165.400111.6R22 G28R22-E26 VanDerWaalsContact O-CB 3.31Å; R22-E26 WeakPolarHBondContact O-CB 3.37Å; R22-E26 VanDerWaalsContact O-CG 3.26Å; R22-E26 WeakPolarHBondContact O-CG 3.34Å; R22-E26 PolarHBondContact O-N 3.22Å; E26-G28 VanDerWaalsContact C-N 3.32Å
27G91.8Very high92.4Very high65 Ų6573.5 Ų73.567%0.6739%0.392SS*.THydrogen-bonded Turntrans-83.46.2172.700000115.5L23 L24 L25L23-G27 PolarHBondContact O-N 2.92Å; L24-G27 CarbonylContact O-C 3.42Å; L24-G27 WeakPolarHBondContact O-CA 3.44Å; L24-G27 PolarHBondContact O-N 3.28Å; L25-G27 PolarHBondContact O-N 3.19Å
28G89.2Confident92.3Very high55 Ų5569.8 Ų69.857%0.56738%0.383SS*.THydrogen-bonded Turntrans87.716.2175.200000116.2L24 L25 E26L24-G28 PolarHBondContact O-N 2.71Å; L25-G28 PolarHBondContact O-N 3Å; E26-G28 VanDerWaalsContact C-N 3.32Å
29A91.5Very high92.2Very high36 Ų3669.5 Ų69.530%0.29838%0.381SS..  trans-66.7135.4170.700000111.1L24 L25 V31L24-A29 HydrophobicContact CB-CB 4.25Å; L24-A29 WeakPolarHBondContact O-CB 3.47Å; L24-A29 PolarHBondContact O-N 3.33Å; L25-A29 VanDerWaalsContact CD2-O 3.26Å; L25-A29 WeakPolarHBondContact CD2-O 3.38Å; A29-V31 PolarHBondContact O-N 3.47Å
30Y91.4Very high92.2Very high164 Ų16459.2 Ų59.264%0.64334%0.342SS*.  trans-74.1119.5-179.3-60.7-77.5000111.2N32 E33Y30-N32 VanDerWaalsContact C-N 3.29Å; Y30-N32 PolarHBondContact O-N 3.32Å; Y30-E33 HydrophobicContact CD2-CG 4.4Å; Y30-E33 WeakPolarHBondContact CD2-OE1 3.42Å; Y30-E33 HydrophobicContact CG-CG 4.39Å; Y30-E33 PolarHBondContact O-N 3.4Å
31V92.7Very high92.2Very high18 Ų1855.6 Ų55.611%0.10932%0.323CS..THydrogen-bonded Turntrans-65.9-30.2-175.271.40000113.6L25 A29 L63 A68L25-V31 HydrophobicContact CD1-CG2 4.38Å; L25-V31 HydrophobicContact CD2-CB 3.86Å; L25-V31 HydrophobicContact CD2-CG2 4.14Å; A29-V31 PolarHBondContact O-N 3.47Å; V31-L63 HydrophobicContact CG2-CD2 3.89Å; V31-A68 HydrophobicContact CG2-CB 3.77Å
32N93.3Very high92.2Very high48 Ų4855.6 Ų55.626%0.25732%0.323SS..THydrogen-bonded Turntrans-98.88.6-177.4-67.3-28.8000113.8Y30 G34 G67 A68 D69 I72Y30-N32 VanDerWaalsContact C-N 3.29Å; Y30-N32 PolarHBondContact O-N 3.32Å; N32-G34 PolarHBondContact O-N 3.05Å; N32-G67 PolarHBondContact ND2-O 2.66Å; N32-A68 VanDerWaalsContact OD1-CA 3.25Å; N32-A68 WeakPolarHBondContact OD1-CA 3.46Å; N32-D69 PolarHBondContact ND2-N 2.83Å; N32-D69 PolarHBondContact ND2-OD2 2.89Å; N32-D69 PolarHBondContact OD1-N 2.96Å; N32-I72 HydrophobicContact CB-CD1 3.73Å
33E89.9Confident92.2Very high92 Ų9251 Ų5143%0.4331%0.306SS..  trans-66.7126.7168.2-88179.6159.300110.6Y30Y30-E33 HydrophobicContact CD2-CG 4.4Å; Y30-E33 WeakPolarHBondContact CD2-OE1 3.42Å; Y30-E33 HydrophobicContact CG-CG 4.39Å; Y30-E33 PolarHBondContact O-N 3.4Å
34G89.5Confident92Very high33 Ų3345.9 Ų45.934%0.3428%0.28SS..BIsolated β-bridgetrans-88.1156.8172.500000112.1N32 E39N32-G34 PolarHBondContact O-N 3.05Å; G34-E39 WeakPolarHBondContact CA-O 3.32Å
35D90.4Very high92Very high45 Ų4543.9 Ų43.924%0.24127%0.27CS..  trans-70-173.8167.294.4-51.4000111.9L10 Q37 G38 E39L10-D35 HydrophobicContact CD2-CB 3.61Å; D35-Q37 PolarHBondContact O-N 3.1Å; D35-Q37 VanDerWaalsContact O-N 3.14Å; D35-Q37 VanDerWaalsContact OD1-CA 3.24Å; D35-Q37 WeakPolarHBondContact OD1-CA 3.26Å; D35-Q37 VanDerWaalsContact OD1-CB 3.32Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.37Å; D35-Q37 PolarHBondContact OD1-N 3.42Å; D35-Q37 PolarHBondContact OD2-N 3.4Å; D35-G38 PolarHBondContact O-N 2.91Å; D35-G38 PolarHBondContact OD1-N 2.93Å; D35-G38 VanDerWaalsContact OD1-N 3.09Å; D35-E39 PolarHBondContact N-O 3.32Å; D35-E39 WeakPolarHBondContact OD1-CB 3.39Å; D35-E39 PolarHBondContact OD1-N 3.36Å
36A89.9Confident91.9Very high62 Ų6243 Ų4351%0.51227%0.265SS..THydrogen-bonded Turntrans-53.9-30.6172.100000113.7R75A36-R75 PolarHBondContact O-NE 3.44Å; A36-R75 VanDerWaalsContact O-NE 3.08Å; A36-R75 PolarHBondContact O-NH1 3.24Å; A36-R75 PolarHBondContact O-NH2 3.14Å
37Q88.8Confident91.7Very high99 Ų9943 Ų4346%0.46326%0.26SS..THydrogen-bonded Turntrans-89.41.6175.9-48.2-61.9-9.400114.2D35 E39 R75D35-Q37 PolarHBondContact O-N 3.1Å; D35-Q37 VanDerWaalsContact O-N 3.14Å; D35-Q37 VanDerWaalsContact OD1-CA 3.24Å; D35-Q37 WeakPolarHBondContact OD1-CA 3.26Å; D35-Q37 VanDerWaalsContact OD1-CB 3.32Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.37Å; D35-Q37 PolarHBondContact OD1-N 3.42Å; D35-Q37 PolarHBondContact OD2-N 3.4Å; Q37-E39 VanDerWaalsContact C-N 3.29Å; Q37-R75 WeakPolarHBondContact O-CB 3.2Å; Q37-R75 VanDerWaalsContact O-CG 3.28Å; Q37-R75 WeakPolarHBondContact O-CG 3.43Å; Q37-R75 PolarHBondContact O-N 3.27Å
38G90.9Very high91.6Very high24 Ų2440.3 Ų40.325%0.24723%0.232CC..  trans75.511.8-173.600000114.2D35 T40D35-G38 PolarHBondContact O-N 2.91Å; D35-G38 PolarHBondContact OD1-N 2.93Å; D35-G38 VanDerWaalsContact OD1-N 3.09Å; G38-T40 PolarHBondContact O-N 3.48Å
39E91.8Very high91.4Very high27 Ų2748 Ų4813%0.12624%0.244CC..  trans-69.9116.2171.1-69.8-163.8157.600109.5L10 G34 D35 Q37 M43 R47 D74 H83L10-E39 VanDerWaalsContact CD2-O 3.22Å; L10-E39 WeakPolarHBondContact CD2-O 3.47Å; G34-E39 WeakPolarHBondContact CA-O 3.32Å; D35-E39 PolarHBondContact N-O 3.32Å; D35-E39 WeakPolarHBondContact OD1-CB 3.39Å; D35-E39 PolarHBondContact OD1-N 3.36Å; Q37-E39 VanDerWaalsContact C-N 3.29Å; E39-M43 HydrophobicContact CB-SD 4.5Å; E39-R47 IonicContact OE1-CZ 2.84Å; E39-R47 IonicContact OE1-NE 3.25Å; E39-R47 PolarHBondContact OE1-NE 2.87Å; E39-R47 IonicContact OE1-NH2 2.56Å; E39-R47 IonicContact OE2-CZ 3.78Å; E39-R47 IonicContact OE2-NE 2.81Å; E39-R47 PolarHBondContact OE2-NE 3Å; E39-R47 IonicContact OE2-NH2 3.99Å; E39-R47 PolarHBondContact OE2-NH2 2.61Å; E39-D74 HydrophobicContact CG-CB 4.42Å; E39-H83 IonicContact OE1-CE1 2.79Å
40T94.1Very high91.2Very high1 Ų147.8 Ų47.81%0.00624%0.235CC..BIsolated β-bridgetrans-79.4167.2175.466.90000111.8G38 L42 M43 A44 I72G38-T40 PolarHBondContact O-N 3.48Å; T40-L42 PolarHBondContact O-N 2.88Å; T40-L42 PolarHBondContact OG1-N 3.28Å; T40-M43 HydrophobicContact CG2-CE 4.24Å; T40-M43 PolarHBondContact N-SD 3.32Å; T40-M43 PolarHBondContact O-N 3.3Å; T40-M43 VanDerWaalsContact O-N 3.16Å; T40-M43 PolarHBondContact OG1-N 3.48Å; T40-A44 PolarHBondContact O-N 2.78Å; T40-I72 HydrophobicContact CG2-CB 4.16Å; T40-I72 HydrophobicContact CG2-CD1 4.12Å; T40-I72 HydrophobicContact CG2-CG2 3.65Å
41A94.3Very high90.9Very high0 Ų048.5 Ų48.50%025%0.25CC..Hα-helixtrans-52.5-38.5171.700000112.5L9 L10 V13 A44 A45 L63L9-A41 HydrophobicContact CD2-CB 3.73Å; L9-A41 HydrophobicContact CG-CB 3.93Å; L10-A41 HydrophobicContact CD1-CB 4.22Å; V13-A41 WeakPolarHBondContact CG1-O 3.3Å; V13-A41 HydrophobicContact CG2-CB 4.47Å; A41-A44 PolarHBondContact O-N 2.79Å; A41-A45 PolarHBondContact O-N 3.19Å; A41-L63 HydrophobicContact CB-CD1 4.49Å; A41-L63 HydrophobicContact CB-CD2 4.11Å
42L95.1Very high90.5Very high0 Ų050.6 Ų50.60%026%0.261CS..Hα-helixtrans-67.8-41.3179.1-17167.4000112.7T40 A45 C46 V60 L63 L64 A68 P70 A80 L97T40-L42 PolarHBondContact O-N 2.88Å; T40-L42 PolarHBondContact OG1-N 3.28Å; L42-A45 PolarHBondContact O-N 3.16Å; L42-C46 PolarHBondContact O-N 3.27Å; L42-C46 PolarHBondContact O-SG 2.88Å; L42-V60 HydrophobicContact CD1-CG1 4.04Å; L42-L63 HydrophobicContact CD1-CB 3.97Å; L42-L63 HydrophobicContact CD1-CD1 4.41Å; L42-L64 HydrophobicContact CD1-CD2 4.02Å; L42-L64 HydrophobicContact CD1-CG 4Å; L42-L64 HydrophobicContact CD2-CD2 3.8Å; L42-A68 HydrophobicContact CB-CB 4.15Å; L42-A68 HydrophobicContact CD1-CB 4.24Å; L42-A68 HydrophobicContact CD2-CB 4.01Å; L42-A68 HydrophobicContact CG-CB 4.37Å; L42-P70 HydrophobicContact CD2-CB 4.09Å; L42-A80 HydrophobicContact CB-CB 4.5Å; L42-A80 HydrophobicContact CD2-CB 3.77Å; L42-A80 HydrophobicContact CG-CB 3.83Å; L42-L97 HydrophobicContact CD1-CD2 4.24Å; L42-L97 HydrophobicContact CD2-CD2 3.96Å; L42-L97 HydrophobicContact CG-CD2 4.23Å
43M94Very high89.7Confident0 Ų053.2 Ų53.20%028%0.28CS..Hα-helixtrans-63.3-43.9173.1-63.9170.3-169.500111.1E39 T40 A45 C46 R47 I72 D74 A80E39-M43 HydrophobicContact CB-SD 4.5Å; T40-M43 HydrophobicContact CG2-CE 4.24Å; T40-M43 PolarHBondContact N-SD 3.32Å; T40-M43 PolarHBondContact O-N 3.3Å; T40-M43 VanDerWaalsContact O-N 3.16Å; T40-M43 PolarHBondContact OG1-N 3.48Å; M43-A45 VanDerWaalsContact C-N 3.28Å; M43-A45 PolarHBondContact O-N 3.12Å; M43-C46 PolarHBondContact O-N 2.89Å; M43-C46 VanDerWaalsContact O-N 3.11Å; M43-R47 WeakPolarHBondContact O-CB 3.5Å; M43-R47 PolarHBondContact O-N 3.35Å; M43-I72 VanDerWaalsContact CE-C 3.47Å; M43-I72 HydrophobicContact CE-CB 4.3Å; M43-I72 HydrophobicContact CE-CG2 4.03Å; M43-I72 WeakPolarHBondContact CE-O 3.1Å; M43-D74 HydrophobicContact CE-CB 4.46Å; M43-D74 HydrophobicContact SD-CB 3.92Å; M43-A80 HydrophobicContact CG-CB 4.27Å
44A92.6Very high89.5Confident9 Ų954.2 Ų54.27%0.07429%0.285CS..Hα-helixtrans-59.6-37.6176.700000112.2V13 T40 A41 A48V13-A44 HydrophobicContact CG1-CB 4.41Å; T40-A44 PolarHBondContact O-N 2.78Å; A41-A44 PolarHBondContact O-N 2.79Å; A44-A48 WeakPolarHBondContact O-CB 3.48Å; A44-A48 PolarHBondContact O-N 3.49Å
45A93.1Very high89.5Confident0 Ų054.3 Ų54.30%028%0.278CS..Hα-helixtrans-64.4-40.4174.200000112.7V13 A41 L42 M43 Y50 M59 V60 L63V13-A45 HydrophobicContact CG1-CB 3.58Å; A41-A45 PolarHBondContact O-N 3.19Å; L42-A45 PolarHBondContact O-N 3.16Å; M43-A45 VanDerWaalsContact C-N 3.28Å; M43-A45 PolarHBondContact O-N 3.12Å; A45-Y50 WeakPolarHBondContact CA-OH 3.37Å; A45-M59 HydrophobicContact CB-CG 3.92Å; A45-V60 HydrophobicContact CB-CG2 3.77Å; A45-L63 HydrophobicContact CB-CD1 3.79Å
46C92.1Very high89.5Confident0 Ų052.8 Ų52.80%027%0.269CS..Hα-helixtrans-71.1-43.5179.8-62.90000112L42 M43 K56 H83 A84L42-C46 PolarHBondContact O-N 3.27Å; L42-C46 PolarHBondContact O-SG 2.88Å; M43-C46 PolarHBondContact O-N 2.89Å; M43-C46 VanDerWaalsContact O-N 3.11Å; C46-K56 PolarHBondContact O-NZ 3.4Å; C46-H83 HydrophobicContact CB-CB 4.02Å; C46-A84 HydrophobicContact CB-CB 3.99Å
47R89.4Confident89.6Confident124 Ų12450.7 Ų50.747%0.46825%0.252SS..Hα-helixtrans-73.1-28.8-179.3-172.7170.566.967.1-5.7113.6E39 M43E39-R47 IonicContact OE1-CZ 2.84Å; E39-R47 IonicContact OE1-NE 3.25Å; E39-R47 PolarHBondContact OE1-NE 2.87Å; E39-R47 IonicContact OE1-NH2 2.56Å; E39-R47 IonicContact OE2-CZ 3.78Å; E39-R47 IonicContact OE2-NE 2.81Å; E39-R47 PolarHBondContact OE2-NE 3Å; E39-R47 IonicContact OE2-NH2 3.99Å; E39-R47 PolarHBondContact OE2-NH2 2.61Å; M43-R47 WeakPolarHBondContact O-CB 3.5Å; M43-R47 PolarHBondContact O-N 3.35Å
48A88.9Confident89.9Confident10 Ų1052.7 Ų52.78%0.08326%0.255CS..  trans-63.5152.8-179.400000112.7A44 Y50 K56A44-A48 WeakPolarHBondContact O-CB 3.48Å; A44-A48 PolarHBondContact O-N 3.49Å; A48-Y50 HydrophobicContact CB-CD1 4.13Å; A48-Y50 HydrophobicContact CB-CE1 3.41Å; A48-Y50 VanDerWaalsContact CB-CE1 3.41Å; A48-Y50 HydrophobicContact CB-CE2 4.35Å; A48-K56 WeakPolarHBondContact O-CE 3.31Å; A48-K56 PolarHBondContact O-NZ 3.15Å
49R86.4Confident90Very high217 Ų21751.6 Ų51.682%0.81924%0.243SC*.  trans-104.7129.4164.1-65.7-172.3178.7-148.91.6107.6
50Y86.7Confident90.2Very high31 Ų3150.3 Ų50.312%0.12224%0.237CC..  trans-120.8149.4174.8-51-47000108.2V13 A45 A48 D52 N55 K56 M59V13-Y50 WeakPolarHBondContact O-CE1 3.46Å; V13-Y50 PolarHBondContact O-OH 3.02Å; A45-Y50 WeakPolarHBondContact CA-OH 3.37Å; A48-Y50 HydrophobicContact CB-CD1 4.13Å; A48-Y50 HydrophobicContact CB-CE1 3.41Å; A48-Y50 VanDerWaalsContact CB-CE1 3.41Å; A48-Y50 HydrophobicContact CB-CE2 4.35Å; Y50-D52 VanDerWaalsContact C-N 3.26Å; Y50-D52 PolarHBondContact O-N 3.04Å; Y50-N55 HydrophobicContact CD2-CB 4.36Å; Y50-K56 HydrophobicContact CD2-CB 3.73Å; Y50-K56 HydrophobicContact CD2-CG 4.27Å; Y50-K56 HydrophobicContact CE2-CB 3.97Å; Y50-K56 HydrophobicContact CE2-CG 4.08Å; Y50-M59 HydrophobicContact CE2-CB 4.46Å
51D83.9Confident90.2Very high178 Ų17856.7 Ų56.795%0.95226%0.261SS*.SBendtrans-69-28.6-177.7-41.1-78.9000112.1
52D84.9Confident90.3Very high63 Ų6357.2 Ų57.234%0.33726%0.263SS..SBendtrans-102.5118.8171169.324.5000110.4Y50 Q54 N55 R58Y50-D52 VanDerWaalsContact C-N 3.26Å; Y50-D52 PolarHBondContact O-N 3.04Å; D52-Q54 VanDerWaalsContact C-N 3.26Å; D52-Q54 PolarHBondContact O-N 2.69Å; D52-Q54 VanDerWaalsContact OD1-CB 3.26Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.23Å; D52-Q54 PolarHBondContact OD1-N 3.15Å; D52-N55 HydrophobicContact CB-CB 4.1Å; D52-N55 WeakPolarHBondContact O-CB 3.4Å; D52-N55 PolarHBondContact O-N 3.2Å; D52-N55 VanDerWaalsContact O-N 3.15Å; D52-N55 PolarHBondContact OD2-N 3.42Å; D52-N55 VanDerWaalsContact OD2-N 3.14Å; D52-R58 IonicContact OD2-NH1 2.78Å
53P77.4Confident90.3Very high103 Ų10357.2 Ų57.267%0.66926%0.263SS*.Hα-helixtrans-63.3-29.8175.726.4-34.2000112.9N55 K56P53-N55 VanDerWaalsContact C-N 3.26Å; P53-N55 PolarHBondContact O-N 3.38Å; P53-K56 PolarHBondContact O-N 3.37Å; P53-K56 VanDerWaalsContact O-N 3.15Å
54Q84.9Confident90.4Very high113 Ų11357.7 Ų57.753%0.52827%0.266SS..Hα-helixtrans-67.3-28.7176.7-62.8-67.7-3000111.7D52 K56 A57 R58D52-Q54 VanDerWaalsContact C-N 3.26Å; D52-Q54 PolarHBondContact O-N 2.69Å; D52-Q54 VanDerWaalsContact OD1-CB 3.26Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.23Å; D52-Q54 PolarHBondContact OD1-N 3.15Å; Q54-K56 PolarHBondContact O-N 3.34Å; Q54-A57 PolarHBondContact O-N 2.76Å; Q54-R58 WeakPolarHBondContact O-CB 3.48Å; Q54-R58 WeakPolarHBondContact O-CD 3.13Å; Q54-R58 WeakPolarHBondContact O-CG 3.38Å; Q54-R58 PolarHBondContact O-N 2.99Å
55N89.7Confident90.5Very high34 Ų3461.5 Ų61.518%0.18228%0.282CS..Hα-helixtrans-62.6-31.2174.5-162.522000111.7G16 Y50 D52 P53 M59G16-N55 PolarHBondContact O-ND2 3.22Å; Y50-N55 HydrophobicContact CD2-CB 4.36Å; D52-N55 HydrophobicContact CB-CB 4.1Å; D52-N55 WeakPolarHBondContact O-CB 3.4Å; D52-N55 PolarHBondContact O-N 3.2Å; D52-N55 VanDerWaalsContact O-N 3.15Å; D52-N55 PolarHBondContact OD2-N 3.42Å; D52-N55 VanDerWaalsContact OD2-N 3.14Å; P53-N55 VanDerWaalsContact C-N 3.26Å; P53-N55 PolarHBondContact O-N 3.38Å; N55-M59 VanDerWaalsContact O-CB 3.24Å; N55-M59 WeakPolarHBondContact O-CB 3.4Å; N55-M59 PolarHBondContact O-N 3.31Å
56K90.8Very high90.6Very high14 Ų1465.6 Ų65.66%0.06130%0.301CS..Hα-helixtrans-66.5-52.2175.6-166.6177.5-78-166.80111.7C46 A48 Y50 P53 Q54 R58 M59 V60 G88 V93C46-K56 PolarHBondContact O-NZ 3.4Å; A48-K56 WeakPolarHBondContact O-CE 3.31Å; A48-K56 PolarHBondContact O-NZ 3.15Å; Y50-K56 HydrophobicContact CD2-CB 3.73Å; Y50-K56 HydrophobicContact CD2-CG 4.27Å; Y50-K56 HydrophobicContact CE2-CB 3.97Å; Y50-K56 HydrophobicContact CE2-CG 4.08Å; P53-K56 PolarHBondContact O-N 3.37Å; P53-K56 VanDerWaalsContact O-N 3.15Å; Q54-K56 PolarHBondContact O-N 3.34Å; K56-R58 VanDerWaalsContact C-N 3.31Å; K56-R58 PolarHBondContact O-N 3.01Å; K56-M59 PolarHBondContact O-N 2.88Å; K56-V60 HydrophobicContact CG-CG2 4.41Å; K56-V60 WeakPolarHBondContact O-CB 3.45Å; K56-V60 WeakPolarHBondContact O-CG2 3.06Å; K56-V60 PolarHBondContact O-N 3.02Å; K56-G88 PolarHBondContact NZ-O 3.49Å; K56-V93 HydrophobicContact CB-CG2 4.43Å; K56-V93 HydrophobicContact CD-CG2 4.02Å; K56-V93 HydrophobicContact CG-CG2 3.9Å
57A92.4Very high90.6Very high18 Ų1867.8 Ų67.815%0.14932%0.323CS..Hα-helixtrans-59.3-4217700000111.8Q54 R61 L96Q54-A57 PolarHBondContact O-N 2.76Å; A57-R61 WeakPolarHBondContact O-CB 3.32Å; A57-R61 PolarHBondContact O-N 2.81Å; A57-L96 HydrophobicContact CB-CD1 4.19Å
58R93.9Very high90.9Very high141 Ų14162.1 Ų62.153%0.53230%0.303SS..Hα-helixtrans-64.5-40.4176.9-71.3166.6178.7167.8-1.8113.3L18 D52 Q54 K56 Y62L18-R58 HydrophobicContact CD2-CB 4.2Å; D52-R58 IonicContact OD2-NH1 2.78Å; Q54-R58 WeakPolarHBondContact O-CB 3.48Å; Q54-R58 WeakPolarHBondContact O-CD 3.13Å; Q54-R58 WeakPolarHBondContact O-CG 3.38Å; Q54-R58 PolarHBondContact O-N 2.99Å; K56-R58 VanDerWaalsContact C-N 3.31Å; K56-R58 PolarHBondContact O-N 3.01Å; R58-Y62 VanDerWaalsContact O-CB 3.29Å; R58-Y62 WeakPolarHBondContact O-CB 3.45Å; R58-Y62 PolarHBondContact O-N 3.22Å
59M94.3Very high91.2Very high0 Ų065.8 Ų65.80%032%0.322CS..Hα-helixtrans-69.1-49.8177.6-173.373.977.400111.5V13 G16 L18 A21 A45 Y50 N55 K56 Y62 L63V13-M59 HydrophobicContact CB-SD 4.41Å; V13-M59 HydrophobicContact CG1-CG 3.93Å; V13-M59 HydrophobicContact CG1-SD 4.25Å; V13-M59 HydrophobicContact CG2-SD 3.97Å; G16-M59 VanDerWaalsContact C-CE 3.44Å; L18-M59 HydrophobicContact CB-CE 4.09Å; L18-M59 HydrophobicContact CD1-SD 3.9Å; A21-M59 HydrophobicContact CB-SD 4.01Å; A45-M59 HydrophobicContact CB-CG 3.92Å; Y50-M59 HydrophobicContact CE2-CB 4.46Å; N55-M59 VanDerWaalsContact O-CB 3.24Å; N55-M59 WeakPolarHBondContact O-CB 3.4Å; N55-M59 PolarHBondContact O-N 3.31Å; K56-M59 PolarHBondContact O-N 2.88Å; M59-Y62 PolarHBondContact O-N 3.34Å; M59-L63 HydrophobicContact CG-CD1 4.16Å; M59-L63 WeakPolarHBondContact O-CG 3.31Å; M59-L63 PolarHBondContact O-N 3.45Å
60V94.8Very high91.6Very high0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-60.2-49.6178.5169.70000110.5L42 A45 K56 Y62 L63 L64 V93 L97L42-V60 HydrophobicContact CD1-CG1 4.04Å; A45-V60 HydrophobicContact CB-CG2 3.77Å; K56-V60 HydrophobicContact CG-CG2 4.41Å; K56-V60 WeakPolarHBondContact O-CB 3.45Å; K56-V60 WeakPolarHBondContact O-CG2 3.06Å; K56-V60 PolarHBondContact O-N 3.02Å; V60-Y62 VanDerWaalsContact C-N 3.35Å; V60-Y62 PolarHBondContact O-N 2.78Å; V60-L63 PolarHBondContact O-N 3.14Å; V60-L64 HydrophobicContact CG1-CD1 3.8Å; V60-L64 HydrophobicContact CG1-CG 4.45Å; V60-L64 VanDerWaalsContact O-CG 3.31Å; V60-L64 WeakPolarHBondContact O-CG 3.33Å; V60-L64 PolarHBondContact O-N 3.05Å; V60-V93 HydrophobicContact CG1-CG1 4.3Å; V60-V93 HydrophobicContact CG2-CG1 4.09Å; V60-L97 HydrophobicContact CG1-CD2 4.15Å; V60-L97 HydrophobicContact CG1-CG 4.24Å
61R95.2Very high92Very high135 Ų13557.7 Ų57.751%0.50930%0.297SS..Hα-helixtrans-56-47.6176.3178.5178.1162.2156.56.2111.8A57 L63 L64 E65 L96A57-R61 WeakPolarHBondContact O-CB 3.32Å; A57-R61 PolarHBondContact O-N 2.81Å; R61-L63 VanDerWaalsContact C-N 3.34Å; R61-L63 PolarHBondContact O-N 3.38Å; R61-L64 PolarHBondContact O-N 2.85Å; R61-E65 HydrophobicContact CG-CG 4.28Å; R61-E65 IonicContact CZ-OE1 3.21Å; R61-E65 IonicContact NE-OE1 2.92Å; R61-E65 PolarHBondContact NE-OE1 3.44Å; R61-E65 IonicContact NE-OE2 2.72Å; R61-E65 IonicContact NH2-OE1 2.78Å; R61-E65 PolarHBondContact NH2-OE1 3.09Å; R61-E65 WeakPolarHBondContact O-CB 3.49Å; R61-E65 VanDerWaalsContact O-CG 3.32Å; R61-E65 WeakPolarHBondContact O-CG 3.11Å; R61-E65 PolarHBondContact O-N 3.26Å; R61-L96 HydrophobicContact CB-CD1 4.1Å; R61-L96 HydrophobicContact CB-CD2 4.32Å; R61-L96 HydrophobicContact CG-CD2 4.39Å
62Y95.8Very high92.4Very high11 Ų1151.7 Ų51.74%0.04326%0.264CS..Hα-helixtrans-64.5-37.6-179.6175.9-114.2000112.5L18 R22 L25 R58 M59 V60 E65 Q66L18-Y62 HydrophobicContact CD1-CD1 3.77Å; L18-Y62 HydrophobicContact CD1-CG 4.14Å; R22-Y62 HydrophobicContact CB-CE1 4.17Å; R22-Y62 HydrophobicContact CG-CD1 3.94Å; R22-Y62 HydrophobicContact CG-CE1 3.3Å; R22-Y62 HydrophobicContact CG-CE2 4.09Å; R22-Y62 VanDerWaalsContact CG-CZ 3.43Å; L25-Y62 HydrophobicContact CD1-CE1 3.82Å; R58-Y62 VanDerWaalsContact O-CB 3.29Å; R58-Y62 WeakPolarHBondContact O-CB 3.45Å; R58-Y62 PolarHBondContact O-N 3.22Å; M59-Y62 PolarHBondContact O-N 3.34Å; V60-Y62 VanDerWaalsContact C-N 3.35Å; V60-Y62 PolarHBondContact O-N 2.78Å; Y62-E65 PolarHBondContact O-N 3.02Å; Y62-Q66 HydrophobicContact CD2-CG 4.19Å; Y62-Q66 HydrophobicContact CE1-CG 4.21Å; Y62-Q66 HydrophobicContact CE2-CG 3.57Å; Y62-Q66 VanDerWaalsContact O-CG 3.29Å; Y62-Q66 WeakPolarHBondContact O-CG 3.21Å; Y62-Q66 PolarHBondContact O-N 3.09Å; Y62-Q66 VanDerWaalsContact O-N 3.14Å; Y62-Q66 PolarHBondContact OH-OE1 3.13Å
63L95.4Very high92.9Very high0 Ų050.9 Ų50.90%027%0.266CS..Hα-helixtrans-63.9-43174.5-70.2165.6000111.6V13 L25 V31 A41 L42 A45 M59 V60 R61 Q66 G67 A68V13-L63 HydrophobicContact CG1-CD1 4.06Å; V13-L63 HydrophobicContact CG2-CD1 4.24Å; V13-L63 HydrophobicContact CG2-CD2 4.33Å; L25-L63 HydrophobicContact CD1-CD2 3.99Å; V31-L63 HydrophobicContact CG2-CD2 3.89Å; A41-L63 HydrophobicContact CB-CD1 4.49Å; A41-L63 HydrophobicContact CB-CD2 4.11Å; L42-L63 HydrophobicContact CD1-CB 3.97Å; L42-L63 HydrophobicContact CD1-CD1 4.41Å; A45-L63 HydrophobicContact CB-CD1 3.79Å; M59-L63 HydrophobicContact CG-CD1 4.16Å; M59-L63 WeakPolarHBondContact O-CG 3.31Å; M59-L63 PolarHBondContact O-N 3.45Å; V60-L63 PolarHBondContact O-N 3.14Å; R61-L63 VanDerWaalsContact C-N 3.34Å; R61-L63 PolarHBondContact O-N 3.38Å; L63-Q66 CarbonylContact O-C 3.5Å; L63-Q66 WeakPolarHBondContact O-CA 3.36Å; L63-Q66 PolarHBondContact O-N 3.27Å; L63-G67 PolarHBondContact O-N 3.08Å; L63-A68 HydrophobicContact CB-CB 4Å; L63-A68 WeakPolarHBondContact O-CB 3.41Å; L63-A68 PolarHBondContact O-N 3.2Å
64L95.9Very high93.7Very high10 Ų1046.5 Ų46.55%0.05224%0.237CC..Hα-helixtrans-64.4-38.8175.1-64.4168000112.1L42 V60 R61 Q66 G67 A68 L96 L97 H100L42-L64 HydrophobicContact CD1-CD2 4.02Å; L42-L64 HydrophobicContact CD1-CG 4Å; L42-L64 HydrophobicContact CD2-CD2 3.8Å; V60-L64 HydrophobicContact CG1-CD1 3.8Å; V60-L64 HydrophobicContact CG1-CG 4.45Å; V60-L64 VanDerWaalsContact O-CG 3.31Å; V60-L64 WeakPolarHBondContact O-CG 3.33Å; V60-L64 PolarHBondContact O-N 3.05Å; R61-L64 PolarHBondContact O-N 2.85Å; L64-Q66 PolarHBondContact O-N 3.36Å; L64-G67 PolarHBondContact O-N 3.41Å; L64-G67 VanDerWaalsContact O-N 3.09Å; L64-A68 HydrophobicContact CD2-CB 4.49Å; L64-A68 WeakPolarHBondContact CD2-O 3.37Å; L64-L96 HydrophobicContact CD1-CB 4.44Å; L64-L97 HydrophobicContact CD1-CD2 4.2Å; L64-L97 HydrophobicContact CD2-CD2 4.29Å; L64-H100 HydrophobicContact CB-CB 4.46Å; L64-H100 HydrophobicContact CD1-CB 4.09Å; L64-H100 HydrophobicContact CD2-CB 3.92Å; L64-H100 HydrophobicContact CG-CB 4.38Å
65E95Very high94.2Very high89 Ų8948.7 Ų48.742%0.41624%0.241SC..THydrogen-bonded Turntrans-65.4-11.7171.1-73172.3161.100113.5R61 Y62R61-E65 HydrophobicContact CG-CG 4.28Å; R61-E65 IonicContact CZ-OE1 3.21Å; R61-E65 IonicContact NE-OE1 2.92Å; R61-E65 PolarHBondContact NE-OE1 3.44Å; R61-E65 IonicContact NE-OE2 2.72Å; R61-E65 IonicContact NH2-OE1 2.78Å; R61-E65 PolarHBondContact NH2-OE1 3.09Å; R61-E65 WeakPolarHBondContact O-CB 3.49Å; R61-E65 VanDerWaalsContact O-CG 3.32Å; R61-E65 WeakPolarHBondContact O-CG 3.11Å; R61-E65 PolarHBondContact O-N 3.26Å; Y62-E65 PolarHBondContact O-N 3.02Å
66Q94.5Very high94.3Very high87 Ų8751.9 Ų51.941%0.40726%0.257SS..THydrogen-bonded Turntrans-106.913173.1-60.7-64.6-99.300113L25 Y62 L63 L64L25-Q66 HydrophobicContact CD1-CB 4.02Å; L25-Q66 HydrophobicContact CD1-CG 3.88Å; Y62-Q66 HydrophobicContact CD2-CG 4.19Å; Y62-Q66 HydrophobicContact CE1-CG 4.21Å; Y62-Q66 HydrophobicContact CE2-CG 3.57Å; Y62-Q66 VanDerWaalsContact O-CG 3.29Å; Y62-Q66 WeakPolarHBondContact O-CG 3.21Å; Y62-Q66 PolarHBondContact O-N 3.09Å; Y62-Q66 VanDerWaalsContact O-N 3.14Å; Y62-Q66 PolarHBondContact OH-OE1 3.13Å; L63-Q66 CarbonylContact O-C 3.5Å; L63-Q66 WeakPolarHBondContact O-CA 3.36Å; L63-Q66 PolarHBondContact O-N 3.27Å; L64-Q66 PolarHBondContact O-N 3.36Å
67G92.8Very high94.4Very high45 Ų4551.7 Ų51.746%0.46426%0.259SS..THydrogen-bonded Turntrans84.226.9176.600000114.8N32 L63 L64 D69N32-G67 PolarHBondContact ND2-O 2.66Å; L63-G67 PolarHBondContact O-N 3.08Å; L64-G67 PolarHBondContact O-N 3.41Å; L64-G67 VanDerWaalsContact O-N 3.09Å; G67-D69 PolarHBondContact O-N 3.3Å
68A95.3Very high94.5Very high5 Ų553.8 Ų53.84%0.04126%0.263CS..  trans-66.6125.7171.800000111.7V31 N32 L42 L63 L64 P70V31-A68 HydrophobicContact CG2-CB 3.77Å; N32-A68 VanDerWaalsContact OD1-CA 3.25Å; N32-A68 WeakPolarHBondContact OD1-CA 3.46Å; L42-A68 HydrophobicContact CB-CB 4.15Å; L42-A68 HydrophobicContact CD1-CB 4.24Å; L42-A68 HydrophobicContact CD2-CB 4.01Å; L42-A68 HydrophobicContact CG-CB 4.37Å; L63-A68 HydrophobicContact CB-CB 4Å; L63-A68 WeakPolarHBondContact O-CB 3.41Å; L63-A68 PolarHBondContact O-N 3.2Å; L64-A68 HydrophobicContact CD2-CB 4.49Å; L64-A68 WeakPolarHBondContact CD2-O 3.37Å; A68-P70 WeakPolarHBondContact O-CD 3.48Å
69D95.2Very high94.6Very high88 Ų8847 Ų4747%0.47124%0.238SC..  trans-83.1114.6-179.4-72.2-46.6000110.8N32 G67 N71 I72N32-D69 PolarHBondContact ND2-N 2.83Å; N32-D69 PolarHBondContact ND2-OD2 2.89Å; N32-D69 PolarHBondContact OD1-N 2.96Å; G67-D69 PolarHBondContact O-N 3.3Å; D69-N71 VanDerWaalsContact C-N 3.28Å; D69-N71 PolarHBondContact O-N 2.73Å; D69-I72 HydrophobicContact CB-CD1 3.74Å; D69-I72 HydrophobicContact CB-CG1 3.79Å
70P95Very high94.6Very high10 Ų1047.1 Ų47.17%0.06524%0.238CC..THydrogen-bonded Turntrans-73.3-19-176.529.9-35.7000114.1L42 A68 A80 L97 A102L42-P70 HydrophobicContact CD2-CB 4.09Å; A68-P70 WeakPolarHBondContact O-CD 3.48Å; P70-A80 PolarHBondContact O-N 2.96Å; P70-L97 HydrophobicContact CB-CD2 4.08Å; P70-A102 HydrophobicContact CB-CB 3.89Å; P70-A102 HydrophobicContact CG-CB 4.21Å
71N94.4Very high94.6Very high67 Ų6747.1 Ų47.136%0.35824%0.238SC..THydrogen-bonded Turntrans-94.81.2-174.5-66.3-28.9000113.9D69 G101 A102 D103D69-N71 VanDerWaalsContact C-N 3.28Å; D69-N71 PolarHBondContact O-N 2.73Å; N71-G101 PolarHBondContact ND2-O 2.9Å; N71-A102 WeakPolarHBondContact OD1-CA 3.34Å; N71-D103 PolarHBondContact ND2-OD2 3.31Å; N71-D103 PolarHBondContact OD1-N 2.74Å
72I93.9Very high94.5Very high52 Ų5240.8 Ų40.827%0.26722%0.215SC..  trans-61.4142.9163.6-62.8173.7000108.3N32 T40 M43 D69 T79N32-I72 HydrophobicContact CB-CD1 3.73Å; T40-I72 HydrophobicContact CG2-CB 4.16Å; T40-I72 HydrophobicContact CG2-CD1 4.12Å; T40-I72 HydrophobicContact CG2-CG2 3.65Å; M43-I72 VanDerWaalsContact CE-C 3.47Å; M43-I72 HydrophobicContact CE-CB 4.3Å; M43-I72 HydrophobicContact CE-CG2 4.03Å; M43-I72 WeakPolarHBondContact CE-O 3.1Å; D69-I72 HydrophobicContact CB-CD1 3.74Å; D69-I72 HydrophobicContact CB-CG1 3.79Å; I72-T79 WeakPolarHBondContact O-CA 3.43Å
73A94.5Very high94.4Very high46 Ų4640.5 Ų40.538%0.3821%0.214SC..BIsolated β-bridgetrans-117.2142.3178.700000111.3R78A73-R78 WeakPolarHBondContact CA-O 2.99Å
74D94.1Very high94.2Very high11 Ų1140.7 Ų40.76%0.05922%0.215CC..  trans-71.9178172.169.913.2000112E39 M43 L76 G77 R78 H83E39-D74 HydrophobicContact CG-CB 4.42Å; M43-D74 HydrophobicContact CE-CB 4.46Å; M43-D74 HydrophobicContact SD-CB 3.92Å; D74-L76 PolarHBondContact O-N 3.15Å; D74-L76 VanDerWaalsContact OD1-C 3.3Å; D74-L76 VanDerWaalsContact OD1-CA 3.26Å; D74-L76 WeakPolarHBondContact OD1-CA 3.43Å; D74-L76 WeakPolarHBondContact OD1-CB 3.43Å; D74-L76 PolarHBondContact OD1-N 3.33Å; D74-G77 WeakPolarHBondContact O-CA 3.16Å; D74-G77 PolarHBondContact O-N 2.98Å; D74-G77 PolarHBondContact OD1-N 3.05Å; D74-R78 PolarHBondContact N-O 3.32Å; D74-R78 PolarHBondContact OD1-N 3.06Å; D74-R78 IonicContact OD1-NE 3.96Å; D74-R78 IonicContact OD2-CZ 3.67Å; D74-R78 VanDerWaalsContact OD2-CZ 3.25Å; D74-R78 IonicContact OD2-NE 3.87Å; D74-R78 PolarHBondContact OD2-NE 2.85Å; D74-R78 IonicContact OD2-NH2 2.72Å; D74-R78 PolarHBondContact OD2-NH2 3.03Å; D74-H83 IonicContact OD2-CD2 2.82Å; D74-H83 IonicContact OD2-CE1 3.2Å; D74-H83 PolarHBondContact OD2-CE1 3.32Å; D74-H83 IonicContact OD2-NE2 3.95Å; D74-H83 PolarHBondContact OD2-NE2 3.42Å
75R94.4Very high94Very high160 Ų16040.2 Ų40.260%0.60421%0.213SC*.THydrogen-bonded Turntrans-57.5-18.7174.3-84.1-177.3-174.4175.3-7.7115A36 Q37 G77A36-R75 PolarHBondContact O-NE 3.44Å; A36-R75 VanDerWaalsContact O-NE 3.08Å; A36-R75 PolarHBondContact O-NH1 3.24Å; A36-R75 PolarHBondContact O-NH2 3.14Å; Q37-R75 WeakPolarHBondContact O-CB 3.2Å; Q37-R75 VanDerWaalsContact O-CG 3.28Å; Q37-R75 WeakPolarHBondContact O-CG 3.43Å; Q37-R75 PolarHBondContact O-N 3.27Å; R75-G77 VanDerWaalsContact C-N 3.34Å
76L92.9Very high93.7Very high100 Ų10038.6 Ų38.652%0.52421%0.214SC..THydrogen-bonded Turntrans-92.71.8174.7-60.7177.1000111.7D74 R78 D108 H109D74-L76 PolarHBondContact O-N 3.15Å; D74-L76 VanDerWaalsContact OD1-C 3.3Å; D74-L76 VanDerWaalsContact OD1-CA 3.26Å; D74-L76 WeakPolarHBondContact OD1-CA 3.43Å; D74-L76 WeakPolarHBondContact OD1-CB 3.43Å; D74-L76 PolarHBondContact OD1-N 3.33Å; L76-R78 VanDerWaalsContact C-N 3.35Å; L76-R78 HydrophobicContact CB-CG 4.27Å; L76-D108 WeakPolarHBondContact O-CB 3.49Å; L76-H109 PolarHBondContact O-N 3.34Å; L76-H109 PolarHBondContact O-ND1 3.15Å
77G93.5Very high93.1Very high10 Ų1035.4 Ų35.410%0.10321%0.205CC..SBendtrans82.711.2179.100000113.4D74 R75 H109D74-G77 WeakPolarHBondContact O-CA 3.16Å; D74-G77 PolarHBondContact O-N 2.98Å; D74-G77 PolarHBondContact OD1-N 3.05Å; R75-G77 VanDerWaalsContact C-N 3.34Å; G77-H109 WeakPolarHBondContact CA-ND1 3.25Å; G77-H109 PolarHBondContact N-ND1 2.98Å; G77-H109 VanDerWaalsContact N-ND1 3.17Å
78R93.9Very high92.4Very high62 Ų6234.2 Ų34.223%0.23419%0.192CC..  trans-91.5127-173.2-57.8174.4-56.8174.96.7110.9A73 D74 L76 M82 H83 D108A73-R78 WeakPolarHBondContact CA-O 2.99Å; D74-R78 PolarHBondContact N-O 3.32Å; D74-R78 PolarHBondContact OD1-N 3.06Å; D74-R78 IonicContact OD1-NE 3.96Å; D74-R78 IonicContact OD2-CZ 3.67Å; D74-R78 VanDerWaalsContact OD2-CZ 3.25Å; D74-R78 IonicContact OD2-NE 3.87Å; D74-R78 PolarHBondContact OD2-NE 2.85Å; D74-R78 IonicContact OD2-NH2 2.72Å; D74-R78 PolarHBondContact OD2-NH2 3.03Å; L76-R78 VanDerWaalsContact C-N 3.35Å; L76-R78 HydrophobicContact CB-CG 4.27Å; R78-M82 HydrophobicContact CB-CB 4.14Å; R78-M82 HydrophobicContact CB-SD 4.03Å; R78-M82 HydrophobicContact CG-SD 4.18Å; R78-H83 PolarHBondContact NH2-CE1 3.16Å; R78-D108 HydrophobicContact CG-CB 3.7Å
79T95.3Very high91.2Very high0 Ų034.6 Ų34.60%020%0.197CC..BIsolated β-bridgetrans-80.9168.5174.264.70000111.9I72 L81 M82 H83 V106I72-T79 WeakPolarHBondContact O-CA 3.43Å; T79-L81 PolarHBondContact O-N 3.07Å; T79-L81 VanDerWaalsContact O-N 3.16Å; T79-M82 PolarHBondContact O-N 2.9Å; T79-H83 PolarHBondContact O-CD2 3.33Å; T79-H83 PolarHBondContact O-N 2.94Å; T79-H83 VanDerWaalsContact O-N 3.14Å; T79-V106 HydrophobicContact CG2-CB 4.2Å; T79-V106 HydrophobicContact CG2-CG1 3.85Å; T79-V106 HydrophobicContact CG2-CG2 4.4Å
80A94.8Very high90.5Very high1 Ų131.9 Ų31.91%0.00819%0.19CC..Hα-helixtrans-54.9-33.4175.500000112.6L42 M43 P70 H83 A84 L97L42-A80 HydrophobicContact CB-CB 4.5Å; L42-A80 HydrophobicContact CD2-CB 3.77Å; L42-A80 HydrophobicContact CG-CB 3.83Å; M43-A80 HydrophobicContact CG-CB 4.27Å; P70-A80 PolarHBondContact O-N 2.96Å; A80-H83 PolarHBondContact O-N 3.01Å; A80-A84 PolarHBondContact O-N 3.49Å; A80-L97 HydrophobicContact CB-CD2 4.09Å
81L94.6Very high90.2Very high0 Ų032.2 Ų32.20%019%0.194CC..Hα-helixtrans-65.7-40.9176.7-170.266.7000112.5T79 A84 C85 A94 L97 L98 A102 P104 A114 L130T79-L81 PolarHBondContact O-N 3.07Å; T79-L81 VanDerWaalsContact O-N 3.16Å; L81-A84 WeakPolarHBondContact O-CB 3.39Å; L81-A84 PolarHBondContact O-N 2.91Å; L81-C85 PolarHBondContact O-N 2.83Å; L81-C85 PolarHBondContact O-SG 3.24Å; L81-A94 HydrophobicContact CD1-CB 4.34Å; L81-L97 HydrophobicContact CB-CD1 4.49Å; L81-L97 HydrophobicContact CD1-CB 3.99Å; L81-L97 HydrophobicContact CD1-CD1 4.11Å; L81-L98 HydrophobicContact CD1-CG 4.23Å; L81-L98 HydrophobicContact CD2-CD2 3.92Å; L81-A102 HydrophobicContact CB-CB 4.33Å; L81-A102 HydrophobicContact CD2-CB 4.18Å; L81-P104 HydrophobicContact CD2-CB 4.03Å; L81-A114 HydrophobicContact CD2-CB 3.9Å; L81-A114 HydrophobicContact CG-CB 3.92Å; L81-L130 HydrophobicContact CD1-CD2 4.19Å; L81-L130 HydrophobicContact CD2-CD2 3.89Å; L81-L130 HydrophobicContact CG-CD2 4.2Å
82M94.1Very high90Very high2 Ų231.8 Ų31.81%0.0120%0.199CC..Hα-helixtrans-66.7-41.6175.4-62179.6-168.200111.7R78 T79 A84 C85 A86 V106 D108 A114R78-M82 HydrophobicContact CB-CB 4.14Å; R78-M82 HydrophobicContact CB-SD 4.03Å; R78-M82 HydrophobicContact CG-SD 4.18Å; T79-M82 PolarHBondContact O-N 2.9Å; M82-A84 VanDerWaalsContact C-N 3.26Å; M82-A84 PolarHBondContact O-N 3.42Å; M82-C85 PolarHBondContact O-N 2.89Å; M82-C85 VanDerWaalsContact O-N 3.16Å; M82-A86 PolarHBondContact O-N 3.08Å; M82-V106 VanDerWaalsContact CE-C 3.42Å; M82-V106 HydrophobicContact CE-CB 4Å; M82-V106 HydrophobicContact CE-CG1 3.94Å; M82-V106 WeakPolarHBondContact CE-O 3.48Å; M82-D108 HydrophobicContact SD-CB 3.95Å; M82-A114 HydrophobicContact CG-CB 4.18Å
83H92.5Very high89.9Confident6 Ų629.4 Ų29.43%0.02819%0.187CC..Hα-helixtrans-60.9-34.7172.7-82.4-90.7000112.3E39 C46 D74 R78 T79 A80 G87E39-H83 IonicContact OE1-CE1 2.79Å; C46-H83 HydrophobicContact CB-CB 4.02Å; D74-H83 IonicContact OD2-CD2 2.82Å; D74-H83 IonicContact OD2-CE1 3.2Å; D74-H83 PolarHBondContact OD2-CE1 3.32Å; D74-H83 IonicContact OD2-NE2 3.95Å; D74-H83 PolarHBondContact OD2-NE2 3.42Å; R78-H83 PolarHBondContact NH2-CE1 3.16Å; T79-H83 PolarHBondContact O-CD2 3.33Å; T79-H83 PolarHBondContact O-N 2.94Å; T79-H83 VanDerWaalsContact O-N 3.14Å; A80-H83 PolarHBondContact O-N 3.01Å; H83-G87 WeakPolarHBondContact O-CA 3.38Å; H83-G87 PolarHBondContact O-N 3.03Å
84A91.9Very high89.9Confident3 Ų327.3 Ų27.33%0.02517%0.17CC..Hα-helixtrans-69-39173.300000112.4C46 A80 L81 M82 G88 G89 V93 L97C46-A84 HydrophobicContact CB-CB 3.99Å; A80-A84 PolarHBondContact O-N 3.49Å; L81-A84 WeakPolarHBondContact O-CB 3.39Å; L81-A84 PolarHBondContact O-N 2.91Å; M82-A84 VanDerWaalsContact C-N 3.26Å; M82-A84 PolarHBondContact O-N 3.42Å; A84-G88 PolarHBondContact O-N 3.14Å; A84-G89 PolarHBondContact O-N 3.06Å; A84-V93 HydrophobicContact CB-CG1 3.8Å; A84-L97 HydrophobicContact CB-CD1 3.82Å
85C91.6Very high89.8Confident1 Ų129.4 Ų29.41%0.00719%0.185CC..Hα-helixtrans-66.5-58.2177.2-61.20000111L81 M82 G87 G88 A114 H117 A118 R121L81-C85 PolarHBondContact O-N 2.83Å; L81-C85 PolarHBondContact O-SG 3.24Å; M82-C85 PolarHBondContact O-N 2.89Å; M82-C85 VanDerWaalsContact O-N 3.16Å; C85-G87 PolarHBondContact O-N 3.16Å; C85-G88 PolarHBondContact O-N 2.9Å; C85-A114 PolarHBondContact SG-O 3.2Å; C85-A114 VanDerWaalsContact SG-O 3.41Å; C85-H117 HydrophobicContact CB-CB 3.72Å; C85-A118 HydrophobicContact CB-CB 4.24Å; C85-R121 WeakPolarHBondContact O-CD 3.29Å
86A88.8Confident89.8Confident54 Ų5423.6 Ų23.645%0.44617%0.166SC..Hα-helixtrans-64.5-37.2-179.400000113M82 G88 H117M82-A86 PolarHBondContact O-N 3.08Å; A86-G88 VanDerWaalsContact C-N 3.33Å; A86-G88 PolarHBondContact O-N 2.78Å; A86-H117 HydrophobicContact CB-CB 4.35Å
87G81.9Confident89.9Confident20 Ų2018.9 Ų18.921%0.20614%0.141CC..Hα-helixtrans-78.2-8.1-17700000115.5H83 C85H83-G87 WeakPolarHBondContact O-CA 3.38Å; H83-G87 PolarHBondContact O-N 3.03Å; C85-G87 PolarHBondContact O-N 3.16Å
88G77.2Confident89.9Confident20 Ų2019.6 Ų19.621%0.20614%0.143CC..THydrogen-bonded Turntrans68.565.2-17100000111.5K56 A84 C85 A86 G90K56-G88 PolarHBondContact NZ-O 3.49Å; A84-G88 PolarHBondContact O-N 3.14Å; C85-G88 PolarHBondContact O-N 2.9Å; A86-G88 VanDerWaalsContact C-N 3.33Å; A86-G88 PolarHBondContact O-N 2.78Å; G88-G90 VanDerWaalsContact C-N 3.33Å
89G70.6Confident89.9Confident14 Ų1420.8 Ų20.814%0.14417%0.166CC..  trans-73.5-26.7170.200000112.9A84 V93A84-G89 PolarHBondContact O-N 3.06Å; G89-V93 WeakPolarHBondContact O-CB 3.36Å; G89-V93 WeakPolarHBondContact O-CG2 3.46Å
90G80.6Confident89.8Confident30 Ų3024.9 Ų24.931%0.30919%0.185SC..  trans74.4161.4-168.500000112.3G88 A92 V93 A94G88-G90 VanDerWaalsContact C-N 3.33Å; G90-A92 PolarHBondContact O-N 3.26Å; G90-A92 VanDerWaalsContact O-N 3.16Å; G90-V93 PolarHBondContact O-N 3.23Å; G90-A94 PolarHBondContact O-N 3Å
91A87.6Confident89.6Confident18 Ų1826.5 Ų26.515%0.14920%0.202CC..Hα-helixtrans-57.9-33.1-17400000113.1V93 A94 S95 E125 T129A91-V93 VanDerWaalsContact C-N 3.33Å; A91-V93 PolarHBondContact O-N 2.93Å; A91-A94 PolarHBondContact O-N 3.4Å; A91-S95 WeakPolarHBondContact O-CB 3.29Å; A91-S95 PolarHBondContact O-N 3.33Å; A91-S95 PolarHBondContact O-OG 3.17Å; A91-E125 HydrophobicContact CB-CB 3.89Å; A91-T129 HydrophobicContact CB-CG2 4.06Å
92A90.9Very high89.6Confident58 Ų5826.5 Ų26.548%0.47920%0.202SC..Hα-helixtrans-63.5-30.8176.800000114.2G90 S95 L96G90-A92 PolarHBondContact O-N 3.26Å; G90-A92 VanDerWaalsContact O-N 3.16Å; A92-S95 PolarHBondContact O-OG 3.19Å; A92-L96 WeakPolarHBondContact O-CB 3.4Å; A92-L96 WeakPolarHBondContact O-CD1 3.13Å; A92-L96 WeakPolarHBondContact O-CG 3.48Å; A92-L96 PolarHBondContact O-N 2.93Å
93V92.9Very high89.4Confident2 Ų229.1 Ų29.11%0.01222%0.216CC..Hα-helixtrans-80.7-38.4176.11720000110.6K56 V60 A84 G89 G90 A91 L97K56-V93 HydrophobicContact CB-CG2 4.43Å; K56-V93 HydrophobicContact CD-CG2 4.02Å; K56-V93 HydrophobicContact CG-CG2 3.9Å; V60-V93 HydrophobicContact CG1-CG1 4.3Å; V60-V93 HydrophobicContact CG2-CG1 4.09Å; A84-V93 HydrophobicContact CB-CG1 3.8Å; G89-V93 WeakPolarHBondContact O-CB 3.36Å; G89-V93 WeakPolarHBondContact O-CG2 3.46Å; G90-V93 PolarHBondContact O-N 3.23Å; A91-V93 VanDerWaalsContact C-N 3.33Å; A91-V93 PolarHBondContact O-N 2.93Å; V93-L97 HydrophobicContact CG1-CD1 4.03Å; V93-L97 WeakPolarHBondContact O-CG 3.04Å; V93-L97 PolarHBondContact O-N 3.39Å; V93-L97 VanDerWaalsContact O-N 3.09Å
94A93.3Very high89.2Confident2 Ų229 Ų292%0.01722%0.215CC..Hα-helixtrans-61.2-48.117400000111.3L81 G90 A91 L96 L97 L98L81-A94 HydrophobicContact CD1-CB 4.34Å; G90-A94 PolarHBondContact O-N 3Å; A91-A94 PolarHBondContact O-N 3.4Å; A94-L96 PolarHBondContact O-N 3.42Å; A94-L97 PolarHBondContact O-N 3.25Å; A94-L98 WeakPolarHBondContact O-CB 3.34Å; A94-L98 WeakPolarHBondContact O-CD1 3.19Å; A94-L98 WeakPolarHBondContact O-CG 3.42Å; A94-L98 PolarHBondContact O-N 2.94Å
95S93.3Very high88.9Confident55 Ų5532.4 Ų32.439%0.38524%0.239SC..Hα-helixtrans-65.4-37.4179.764.80000113.2A91 A92 L98 A99A91-S95 WeakPolarHBondContact O-CB 3.29Å; A91-S95 PolarHBondContact O-N 3.33Å; A91-S95 PolarHBondContact O-OG 3.17Å; A92-S95 PolarHBondContact O-OG 3.19Å; S95-L98 PolarHBondContact O-N 3.16Å; S95-A99 VanDerWaalsContact O-CB 3.26Å; S95-A99 WeakPolarHBondContact O-CB 3.36Å; S95-A99 PolarHBondContact O-N 2.99Å
96L94.4Very high88.8Confident38 Ų3834.6 Ų34.620%0.19925%0.252CS..Hα-helixtrans-60.1-48.2171.4-79.4168.8000112A57 R61 L64 A92 A94 A99 H100A57-L96 HydrophobicContact CB-CD1 4.19Å; R61-L96 HydrophobicContact CB-CD1 4.1Å; R61-L96 HydrophobicContact CB-CD2 4.32Å; R61-L96 HydrophobicContact CG-CD2 4.39Å; L64-L96 HydrophobicContact CD1-CB 4.44Å; A92-L96 WeakPolarHBondContact O-CB 3.4Å; A92-L96 WeakPolarHBondContact O-CD1 3.13Å; A92-L96 WeakPolarHBondContact O-CG 3.48Å; A92-L96 PolarHBondContact O-N 2.93Å; A94-L96 PolarHBondContact O-N 3.42Å; L96-A99 PolarHBondContact O-N 3.13Å; L96-H100 PolarHBondContact O-CD2 2.91Å; L96-H100 PolarHBondContact O-N 3.32Å; L96-H100 VanDerWaalsContact O-N 3.1Å
97L94.5Very high89Confident0 Ų040.1 Ų40.10%026%0.262CS..Hα-helixtrans-62.8-44.3178.8-71.5166.4000111.5L42 V60 L64 P70 A80 L81 A84 V93 A94 H100 G101 A102L42-L97 HydrophobicContact CD1-CD2 4.24Å; L42-L97 HydrophobicContact CD2-CD2 3.96Å; L42-L97 HydrophobicContact CG-CD2 4.23Å; V60-L97 HydrophobicContact CG1-CD2 4.15Å; V60-L97 HydrophobicContact CG1-CG 4.24Å; L64-L97 HydrophobicContact CD1-CD2 4.2Å; L64-L97 HydrophobicContact CD2-CD2 4.29Å; P70-L97 HydrophobicContact CB-CD2 4.08Å; A80-L97 HydrophobicContact CB-CD2 4.09Å; L81-L97 HydrophobicContact CB-CD1 4.49Å; L81-L97 HydrophobicContact CD1-CB 3.99Å; L81-L97 HydrophobicContact CD1-CD1 4.11Å; A84-L97 HydrophobicContact CB-CD1 3.82Å; V93-L97 HydrophobicContact CG1-CD1 4.03Å; V93-L97 WeakPolarHBondContact O-CG 3.04Å; V93-L97 PolarHBondContact O-N 3.39Å; V93-L97 VanDerWaalsContact O-N 3.09Å; A94-L97 PolarHBondContact O-N 3.25Å; L97-H100 CarbonylContact O-C 3.43Å; L97-H100 PolarHBondContact O-N 3.06Å; L97-G101 PolarHBondContact O-N 3.27Å; L97-A102 VanDerWaalsContact C-CB 3.47Å; L97-A102 HydrophobicContact CB-CB 3.96Å; L97-A102 WeakPolarHBondContact O-CB 3.26Å; L97-A102 PolarHBondContact O-N 3.4Å
98L93.5Very high89.5Confident25 Ų2539.9 Ų39.913%0.13126%0.256CS..Hα-helixtrans-63.8-40.5178.1-68.7162.1000112.1L81 A94 S95 H100 G101 P104 L130 A133L81-L98 HydrophobicContact CD1-CG 4.23Å; L81-L98 HydrophobicContact CD2-CD2 3.92Å; A94-L98 WeakPolarHBondContact O-CB 3.34Å; A94-L98 WeakPolarHBondContact O-CD1 3.19Å; A94-L98 WeakPolarHBondContact O-CG 3.42Å; A94-L98 PolarHBondContact O-N 2.94Å; S95-L98 PolarHBondContact O-N 3.16Å; L98-H100 VanDerWaalsContact C-N 3.29Å; L98-H100 PolarHBondContact O-N 2.94Å; L98-G101 PolarHBondContact O-N 3.39Å; L98-P104 HydrophobicContact CD2-CB 4.42Å; L98-P104 HydrophobicContact CD2-CG 4.27Å; L98-L130 HydrophobicContact CD1-CD2 4.2Å; L98-A133 HydrophobicContact CD1-CB 3.79Å; L98-A133 HydrophobicContact CD2-CB 3.95Å; L98-A133 HydrophobicContact CG-CB 4.33Å
99A93.2Very high90.3Very high87 Ų8746.3 Ų46.372%0.71928%0.28SS*.Hα-helixtrans-64.9-31175.300000112.9S95 L96 G101S95-A99 VanDerWaalsContact O-CB 3.26Å; S95-A99 WeakPolarHBondContact O-CB 3.36Å; S95-A99 PolarHBondContact O-N 2.99Å; L96-A99 PolarHBondContact O-N 3.13Å; A99-G101 VanDerWaalsContact C-N 3.27Å; A99-G101 PolarHBondContact O-N 3.38Å
100H94.4Very high91.2Very high86 Ų8650.1 Ų50.140%0.39831%0.311SS..THydrogen-bonded Turntrans-8819.1171.6-76.7-96.5000113.5L64 L96 L97 L98L64-H100 HydrophobicContact CB-CB 4.46Å; L64-H100 HydrophobicContact CD1-CB 4.09Å; L64-H100 HydrophobicContact CD2-CB 3.92Å; L64-H100 HydrophobicContact CG-CB 4.38Å; L96-H100 PolarHBondContact O-CD2 2.91Å; L96-H100 PolarHBondContact O-N 3.32Å; L96-H100 VanDerWaalsContact O-N 3.1Å; L97-H100 CarbonylContact O-C 3.43Å; L97-H100 PolarHBondContact O-N 3.06Å; L98-H100 VanDerWaalsContact C-N 3.29Å; L98-H100 PolarHBondContact O-N 2.94Å
101G90.4Very high91.5Very high36 Ų3649.8 Ų49.837%0.37131%0.307SS..THydrogen-bonded Turntrans90.113.616900000116.1N71 L97 L98 A99N71-G101 PolarHBondContact ND2-O 2.9Å; L97-G101 PolarHBondContact O-N 3.27Å; L98-G101 PolarHBondContact O-N 3.39Å; A99-G101 VanDerWaalsContact C-N 3.27Å; A99-G101 PolarHBondContact O-N 3.38Å
102A93.8Very high91.6Very high0 Ų049.7 Ų49.70%031%0.306CS..  trans-58.7139.2175.400000112.6P70 N71 L81 L97 P104 K137P70-A102 HydrophobicContact CB-CB 3.89Å; P70-A102 HydrophobicContact CG-CB 4.21Å; N71-A102 WeakPolarHBondContact OD1-CA 3.34Å; L81-A102 HydrophobicContact CB-CB 4.33Å; L81-A102 HydrophobicContact CD2-CB 4.18Å; L97-A102 VanDerWaalsContact C-CB 3.47Å; L97-A102 HydrophobicContact CB-CB 3.96Å; L97-A102 WeakPolarHBondContact O-CB 3.26Å; L97-A102 PolarHBondContact O-N 3.4Å; A102-P104 WeakPolarHBondContact O-CD 3.47Å; A102-K137 PolarHBondContact O-NZ 3.07Å
103D90.1Very high91.6Very high57 Ų5747.9 Ų47.931%0.30529%0.29SS..  trans-98.8111.2179.5-77.2-47.2000112.6N71 S105 V106 K137N71-D103 PolarHBondContact ND2-OD2 3.31Å; N71-D103 PolarHBondContact OD1-N 2.74Å; D103-S105 PolarHBondContact O-N 2.92Å; D103-V106 HydrophobicContact CB-CG2 3.79Å; D103-K137 IonicContact OD1-NZ 2.66Å; D103-K137 PolarHBondContact OD1-NZ 3.35Å
104P88.6Confident91.5Very high2 Ų247.9 Ų47.91%0.01329%0.29CS..THydrogen-bonded Turntrans-75.9-12.9179.332.2-36.1000113.4L81 L98 A102 L130 C134L81-P104 HydrophobicContact CD2-CB 4.03Å; L98-P104 HydrophobicContact CD2-CB 4.42Å; L98-P104 HydrophobicContact CD2-CG 4.27Å; A102-P104 WeakPolarHBondContact O-CD 3.47Å; P104-L130 HydrophobicContact CB-CD2 4.19Å; P104-C134 VanDerWaalsContact CG-SG 3.58Å
105S86.3Confident91.3Very high75 Ų7548.6 Ų48.652%0.52429%0.294SS..THydrogen-bonded Turntrans-80.1-14.6179520000114D103D103-S105 PolarHBondContact O-N 2.92Å
106V89.3Confident91.1Very high47 Ų4748.6 Ų48.629%0.28529%0.291SS..  trans-61.4147175.1-175.70000109.6T79 M82 D103 S113T79-V106 HydrophobicContact CG2-CB 4.2Å; T79-V106 HydrophobicContact CG2-CG1 3.85Å; T79-V106 HydrophobicContact CG2-CG2 4.4Å; M82-V106 VanDerWaalsContact CE-C 3.42Å; M82-V106 HydrophobicContact CE-CB 4Å; M82-V106 HydrophobicContact CE-CG1 3.94Å; M82-V106 WeakPolarHBondContact CE-O 3.48Å; D103-V106 HydrophobicContact CB-CG2 3.79Å; V106-S113 WeakPolarHBondContact O-CA 3.26Å; V106-S113 WeakPolarHBondContact O-CB 3.35Å
107R91.4Very high90.9Very high170 Ų17048.3 Ų48.364%0.64229%0.289SS*.BIsolated β-bridgetrans-125.3140.8177.8-5817872.6179.21.9109.4G111 A112R107-G111 PolarHBondContact NE-O 3.16Å; R107-G111 PolarHBondContact NH2-O 2.9Å; R107-A112 CarbonylContact C-O 3.58Å; R107-A112 VanDerWaalsContact CA-O 3.31Å; R107-A112 WeakPolarHBondContact CA-O 3.45Å
108D93.2Very high90.7Very high16 Ų1648.3 Ų48.39%0.08629%0.289CS..  trans-78-179.4174.666.626.1000112.2L76 R78 M82 A110 G111 A112 H117L76-D108 WeakPolarHBondContact O-CB 3.49Å; R78-D108 HydrophobicContact CG-CB 3.7Å; M82-D108 HydrophobicContact SD-CB 3.95Å; D108-A110 PolarHBondContact O-N 2.95Å; D108-A110 WeakPolarHBondContact OD1-CA 3.45Å; D108-A110 WeakPolarHBondContact OD1-CB 3.26Å; D108-A110 PolarHBondContact OD1-N 3.06Å; D108-G111 WeakPolarHBondContact O-CA 3.39Å; D108-G111 PolarHBondContact O-N 3.14Å; D108-G111 PolarHBondContact OD1-N 2.72Å; D108-G111 VanDerWaalsContact OD1-N 3.08Å; D108-A112 PolarHBondContact N-O 2.79Å; D108-A112 PolarHBondContact OD1-N 3.15Å; D108-H117 IonicContact OD2-CD2 3.97Å; D108-H117 IonicContact OD2-CE1 3.48Å; D108-H117 PolarHBondContact OD2-CE1 3.39Å; D108-H117 IonicContact OD2-NE2 3.68Å; D108-H117 PolarHBondContact OD2-NE2 3.39Å
109H93.1Very high90.4Very high154 Ų15451.3 Ų51.371%0.71330%0.304SS*.THydrogen-bonded Turntrans-68.8-13.4-179.5-71.477.5000114L76 G77 G111L76-H109 PolarHBondContact O-N 3.34Å; L76-H109 PolarHBondContact O-ND1 3.15Å; G77-H109 WeakPolarHBondContact CA-ND1 3.25Å; G77-H109 PolarHBondContact N-ND1 2.98Å; G77-H109 VanDerWaalsContact N-ND1 3.17Å; H109-G111 VanDerWaalsContact C-N 3.31Å
110A89.8Confident90.2Very high95 Ų9553.3 Ų53.379%0.78530%0.303SS*.THydrogen-bonded Turntrans-87.5-4.9168.700000112.1D108 A112D108-A110 PolarHBondContact O-N 2.95Å; D108-A110 WeakPolarHBondContact OD1-CA 3.45Å; D108-A110 WeakPolarHBondContact OD1-CB 3.26Å; D108-A110 PolarHBondContact OD1-N 3.06Å; A110-A112 VanDerWaalsContact C-N 3.32Å
111G88.3Confident89.8Confident23 Ų2354.4 Ų54.424%0.23730%0.303CS..SBendtrans809.7-175.700000113.8R107 D108 H109R107-G111 PolarHBondContact NE-O 3.16Å; R107-G111 PolarHBondContact NH2-O 2.9Å; D108-G111 WeakPolarHBondContact O-CA 3.39Å; D108-G111 PolarHBondContact O-N 3.14Å; D108-G111 PolarHBondContact OD1-N 2.72Å; D108-G111 VanDerWaalsContact OD1-N 3.08Å; H109-G111 VanDerWaalsContact C-N 3.31Å
112A88.8Confident89.5Confident15 Ų1555.2 Ų55.212%0.12431%0.312CS..  trans-80.9139.5174.800000110.4R107 D108 A110 V116R107-A112 CarbonylContact C-O 3.58Å; R107-A112 VanDerWaalsContact CA-O 3.31Å; R107-A112 WeakPolarHBondContact CA-O 3.45Å; D108-A112 PolarHBondContact N-O 2.79Å; D108-A112 PolarHBondContact OD1-N 3.15Å; A110-A112 VanDerWaalsContact C-N 3.32Å; A112-V116 HydrophobicContact CB-CB 4.05Å; A112-V116 HydrophobicContact CB-CG1 4.03Å
113S91Very high89.2Confident21 Ų2157 Ų5715%0.14732%0.321CS..BIsolated β-bridgetrans-101.3172.2171.867.40000110.7V106 L115 V116 H117V106-S113 WeakPolarHBondContact O-CA 3.26Å; V106-S113 WeakPolarHBondContact O-CB 3.35Å; S113-L115 PolarHBondContact O-N 3.02Å; S113-L115 VanDerWaalsContact O-N 3.13Å; S113-V116 WeakPolarHBondContact O-CB 3.26Å; S113-V116 PolarHBondContact O-N 2.84Å; S113-H117 PolarHBondContact O-CD2 3.08Å; S113-H117 VanDerWaalsContact O-CD2 3.3Å; S113-H117 PolarHBondContact O-N 3.34Å
114A90.4Very high89.1Confident1 Ų164.6 Ų64.61%0.00835%0.346CS..Hα-helixtrans-55-32.317700000113.1L81 M82 C85 A118 L130L81-A114 HydrophobicContact CD2-CB 3.9Å; L81-A114 HydrophobicContact CG-CB 3.92Å; M82-A114 HydrophobicContact CG-CB 4.18Å; C85-A114 PolarHBondContact SG-O 3.2Å; C85-A114 VanDerWaalsContact SG-O 3.41Å; A114-A118 PolarHBondContact O-N 3.41Å; A114-A118 VanDerWaalsContact O-N 3.08Å; A114-L130 HydrophobicContact CB-CD2 4.21Å
115L89.3Confident89.1Confident18 Ų1871.3 Ų71.39%0.09438%0.377CS..Hα-helixtrans-63.7-39.9174.2-72163.3000112.9S113 A118 L119 L127 L130 L131 V141S113-L115 PolarHBondContact O-N 3.02Å; S113-L115 VanDerWaalsContact O-N 3.13Å; L115-A118 PolarHBondContact O-N 3.17Å; L115-L119 WeakPolarHBondContact O-CG 3.47Å; L115-L119 PolarHBondContact O-N 3.34Å; L115-L127 HydrophobicContact CD2-CD1 3.84Å; L115-L130 HydrophobicContact CD2-CB 3.55Å; L115-L130 HydrophobicContact CD2-CD1 4.42Å; L115-L130 HydrophobicContact CG-CB 4.39Å; L115-L131 HydrophobicContact CD2-CD2 3.97Å; L115-L131 HydrophobicContact CD2-CG 4.13Å; L115-V141 HydrophobicContact CD1-CG1 3.94Å; L115-V141 HydrophobicContact CD1-CG2 3.71Å
116V89.3Confident89.3Confident54 Ų5467.9 Ų67.933%0.32735%0.353SS..Hα-helixtrans-66.5-48.6178.2-177.60000109.7A112 S113 A118 L119 D120A112-V116 HydrophobicContact CB-CB 4.05Å; A112-V116 HydrophobicContact CB-CG1 4.03Å; S113-V116 WeakPolarHBondContact O-CB 3.26Å; S113-V116 PolarHBondContact O-N 2.84Å; V116-A118 PolarHBondContact O-N 2.84Å; V116-A118 VanDerWaalsContact O-N 3.15Å; V116-L119 WeakPolarHBondContact O-CB 3.31Å; V116-L119 PolarHBondContact O-N 3.04Å; V116-D120 PolarHBondContact O-N 2.56Å
117H90.2Very high89.4Confident33 Ų3367.1 Ų67.115%0.15335%0.347CS..Hα-helixtrans-60.2-25.6175.9-71.2-73.4000113.7C85 A86 D108 S113C85-H117 HydrophobicContact CB-CB 3.72Å; A86-H117 HydrophobicContact CB-CB 4.35Å; D108-H117 IonicContact OD2-CD2 3.97Å; D108-H117 IonicContact OD2-CE1 3.48Å; D108-H117 PolarHBondContact OD2-CE1 3.39Å; D108-H117 IonicContact OD2-NE2 3.68Å; D108-H117 PolarHBondContact OD2-NE2 3.39Å; S113-H117 PolarHBondContact O-CD2 3.08Å; S113-H117 VanDerWaalsContact O-CD2 3.3Å; S113-H117 PolarHBondContact O-N 3.34Å
118A89.8Confident89.3Confident0 Ų061.1 Ų61.10%033%0.334CS..Hα-helixtrans-80.6-38.3173.200000112.8C85 A114 L115 V116 R121 G122 D123 L130C85-A118 HydrophobicContact CB-CB 4.24Å; A114-A118 PolarHBondContact O-N 3.41Å; A114-A118 VanDerWaalsContact O-N 3.08Å; L115-A118 PolarHBondContact O-N 3.17Å; V116-A118 PolarHBondContact O-N 2.84Å; V116-A118 VanDerWaalsContact O-N 3.15Å; A118-R121 PolarHBondContact O-N 3.32Å; A118-G122 PolarHBondContact O-N 3.21Å; A118-G122 VanDerWaalsContact O-N 3.14Å; A118-D123 PolarHBondContact O-N 3.13Å; A118-L130 HydrophobicContact CB-CD1 3.77Å
119L88.6Confident89.2Confident88 Ų8862.4 Ų62.446%0.46134%0.342SS..Hα-helixtrans-64.2-48.5174.6-77.6163.6000111.7L115 V116 R121 G122 L127L115-L119 WeakPolarHBondContact O-CG 3.47Å; L115-L119 PolarHBondContact O-N 3.34Å; V116-L119 WeakPolarHBondContact O-CB 3.31Å; V116-L119 PolarHBondContact O-N 3.04Å; L119-R121 PolarHBondContact O-N 3.36Å; L119-R121 VanDerWaalsContact O-N 3.16Å; L119-G122 PolarHBondContact O-N 3.36Å; L119-L127 HydrophobicContact CD2-CD1 4.21Å; L119-L127 HydrophobicContact CD2-CD2 3.6Å; L119-L127 HydrophobicContact CG-CD1 4.04Å; L119-L127 HydrophobicContact CG-CD2 4.28Å
120D88.3Confident89Confident129 Ų12955 Ų5569%0.6931%0.308SS*.THydrogen-bonded Turntrans-60.5-25.9179.1-67.3-20.8000112.5V116V116-D120 PolarHBondContact O-N 2.56Å
121R85.8Confident89Confident108 Ų10851.9 Ų51.941%0.40828%0.278SS..THydrogen-bonded Turntrans-88-17.7175.6-166.5166.2-167.2-71.5-16.6113.7C85 A118 L119 D123C85-R121 WeakPolarHBondContact O-CD 3.29Å; A118-R121 PolarHBondContact O-N 3.32Å; L119-R121 PolarHBondContact O-N 3.36Å; L119-R121 VanDerWaalsContact O-N 3.16Å; R121-D123 VanDerWaalsContact C-N 3.31Å; R121-D123 WeakPolarHBondContact CD-OD2 3.35Å; R121-D123 IonicContact CZ-OD1 3.97Å; R121-D123 IonicContact CZ-OD2 3.5Å; R121-D123 IonicContact NE-OD2 3.58Å; R121-D123 IonicContact NH1-OD1 2.73Å; R121-D123 PolarHBondContact NH1-OD1 3.33Å; R121-D123 IonicContact NH1-OD2 3.34Å; R121-D123 PolarHBondContact NH1-OD2 3.38Å
122G85Confident89Confident53 Ų5355 Ų5555%0.54629%0.289SS..THydrogen-bonded Turntrans74.612.4-175.900000115.2A118 L119 R124A118-G122 PolarHBondContact O-N 3.21Å; A118-G122 VanDerWaalsContact O-N 3.14Å; L119-G122 PolarHBondContact O-N 3.36Å; G122-R124 PolarHBondContact O-N 3.26Å
123D86.4Confident89Confident37 Ų3755.2 Ų55.220%0.19829%0.291CS..  trans-74.384.6-177.1-79.8-20.4000111.4A118 R121 E125 T126 L127A118-D123 PolarHBondContact O-N 3.13Å; R121-D123 VanDerWaalsContact C-N 3.31Å; R121-D123 WeakPolarHBondContact CD-OD2 3.35Å; R121-D123 IonicContact CZ-OD1 3.97Å; R121-D123 IonicContact CZ-OD2 3.5Å; R121-D123 IonicContact NE-OD2 3.58Å; R121-D123 IonicContact NH1-OD1 2.73Å; R121-D123 PolarHBondContact NH1-OD1 3.33Å; R121-D123 IonicContact NH1-OD2 3.34Å; R121-D123 PolarHBondContact NH1-OD2 3.38Å; D123-E125 PolarHBondContact O-N 2.83Å; D123-E125 VanDerWaalsContact O-N 3.15Å; D123-T126 HydrophobicContact CB-CG2 4.04Å; D123-T126 WeakPolarHBondContact CB-OG1 3.35Å; D123-T126 PolarHBondContact O-N 3.17Å; D123-T126 PolarHBondContact O-OG1 2.85Å; D123-T126 VanDerWaalsContact O-OG1 3.07Å; D123-L127 WeakPolarHBondContact O-CB 3.36Å; D123-L127 PolarHBondContact O-N 2.91Å
124R88.1Confident88.8Confident217 Ų21754.4 Ų54.482%0.81929%0.285SS*.Hα-helixtrans-55.2-34.4-178.9-62.5-176.769.3116.2-0.3113.5G122 A128G122-R124 PolarHBondContact O-N 3.26Å; R124-A128 WeakPolarHBondContact O-CB 3.31Å; R124-A128 PolarHBondContact O-N 3.02Å
125E89.8Confident88.6Confident144 Ų14459.1 Ų59.167%0.67331%0.306SS*.Hα-helixtrans-71.7-44.9179.4-58.9-177.8172.800112.9A91 D123 L127 A128 T129A91-E125 HydrophobicContact CB-CB 3.89Å; D123-E125 PolarHBondContact O-N 2.83Å; D123-E125 VanDerWaalsContact O-N 3.15Å; E125-L127 VanDerWaalsContact C-N 3.34Å; E125-A128 PolarHBondContact O-N 3.05Å; E125-T129 PolarHBondContact O-N 2.93Å; E125-T129 VanDerWaalsContact O-N 3.12Å; E125-T129 PolarHBondContact O-OG1 3.28Å
126T90.1Very high88.4Confident3 Ų362.6 Ų62.62%0.01834%0.337CS..Hα-helixtrans-66.3-42.6177.263.10000109.6D123 A128 T129 L130D123-T126 HydrophobicContact CB-CG2 4.04Å; D123-T126 WeakPolarHBondContact CB-OG1 3.35Å; D123-T126 PolarHBondContact O-N 3.17Å; D123-T126 PolarHBondContact O-OG1 2.85Å; D123-T126 VanDerWaalsContact O-OG1 3.07Å; T126-A128 VanDerWaalsContact C-N 3.34Å; T126-A128 PolarHBondContact O-N 3.07Å; T126-T129 PolarHBondContact O-N 2.95Å; T126-T129 PolarHBondContact O-OG1 3.27Å; T126-L130 WeakPolarHBondContact O-CB 3.46Å; T126-L130 WeakPolarHBondContact O-CD1 3.47Å; T126-L130 VanDerWaalsContact O-CG 3.3Å; T126-L130 WeakPolarHBondContact O-CG 3.49Å; T126-L130 PolarHBondContact O-N 3.28Å
127L89.8Confident88Confident31 Ų3164.3 Ų64.316%0.16234%0.34CS..Hα-helixtrans-56.1-45.3175.1-178.463.6000111.9L115 L119 D123 E125 L130 L131L115-L127 HydrophobicContact CD2-CD1 3.84Å; L119-L127 HydrophobicContact CD2-CD1 4.21Å; L119-L127 HydrophobicContact CD2-CD2 3.6Å; L119-L127 HydrophobicContact CG-CD1 4.04Å; L119-L127 HydrophobicContact CG-CD2 4.28Å; D123-L127 WeakPolarHBondContact O-CB 3.36Å; D123-L127 PolarHBondContact O-N 2.91Å; E125-L127 VanDerWaalsContact C-N 3.34Å; L127-L130 PolarHBondContact O-N 3.06Å; L127-L131 HydrophobicContact CD1-CD1 4.19Å; L127-L131 HydrophobicContact CD1-CG 4.21Å; L127-L131 HydrophobicContact CG-CD1 3.98Å; L127-L131 HydrophobicContact CG-CG 4.41Å; L127-L131 WeakPolarHBondContact O-CB 3.18Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.33Å; L127-L131 PolarHBondContact O-N 3.39Å
128A89.9Confident87.3Confident43 Ų4365.9 Ų65.936%0.35537%0.365SS..Hα-helixtrans-59.2-51.2174.900000111.6R124 E125 T126 L130 L131 D132R124-A128 WeakPolarHBondContact O-CB 3.31Å; R124-A128 PolarHBondContact O-N 3.02Å; E125-A128 PolarHBondContact O-N 3.05Å; T126-A128 VanDerWaalsContact C-N 3.34Å; T126-A128 PolarHBondContact O-N 3.07Å; A128-L130 VanDerWaalsContact C-N 3.28Å; A128-L130 PolarHBondContact O-N 2.92Å; A128-L131 PolarHBondContact O-N 2.95Å; A128-D132 PolarHBondContact O-N 3.49Å
129T91.5Very high86.7Confident43 Ų4368.6 Ų68.626%0.26438%0.382SS..Hα-helixtrans-61.3-33.9178.759.30000113.6A91 E125 T126 A133A91-T129 HydrophobicContact CB-CG2 4.06Å; E125-T129 PolarHBondContact O-N 2.93Å; E125-T129 VanDerWaalsContact O-N 3.12Å; E125-T129 PolarHBondContact O-OG1 3.28Å; T126-T129 PolarHBondContact O-N 2.95Å; T126-T129 PolarHBondContact O-OG1 3.27Å; T129-A133 WeakPolarHBondContact O-CB 3.03Å; T129-A133 PolarHBondContact O-N 3.16Å
130L89.7Confident85.6Confident0 Ų071.7 Ų71.70%039%0.394CS..Hα-helixtrans-71.2-44.7175.1-71.6161.4000111.6L81 L98 P104 A114 L115 A118 T126 L127 A128 D132 A133 C134L81-L130 HydrophobicContact CD1-CD2 4.19Å; L81-L130 HydrophobicContact CD2-CD2 3.89Å; L81-L130 HydrophobicContact CG-CD2 4.2Å; L98-L130 HydrophobicContact CD1-CD2 4.2Å; P104-L130 HydrophobicContact CB-CD2 4.19Å; A114-L130 HydrophobicContact CB-CD2 4.21Å; L115-L130 HydrophobicContact CD2-CB 3.55Å; L115-L130 HydrophobicContact CD2-CD1 4.42Å; L115-L130 HydrophobicContact CG-CB 4.39Å; A118-L130 HydrophobicContact CB-CD1 3.77Å; T126-L130 WeakPolarHBondContact O-CB 3.46Å; T126-L130 WeakPolarHBondContact O-CD1 3.47Å; T126-L130 VanDerWaalsContact O-CG 3.3Å; T126-L130 WeakPolarHBondContact O-CG 3.49Å; T126-L130 PolarHBondContact O-N 3.28Å; L127-L130 PolarHBondContact O-N 3.06Å; A128-L130 VanDerWaalsContact C-N 3.28Å; A128-L130 PolarHBondContact O-N 2.92Å; L130-D132 VanDerWaalsContact C-N 3.34Å; L130-D132 PolarHBondContact O-N 3.36Å; L130-A133 PolarHBondContact O-N 3.21Å; L130-C134 WeakPolarHBondContact O-CB 3.24Å; L130-C134 PolarHBondContact O-N 3.49Å; L130-C134 PolarHBondContact O-SG 2.92Å
131L89Confident84.7Confident28 Ų2867.1 Ų67.115%0.14737%0.371CS..Hα-helixtrans-62.2-41.4177.1-73.6172.5000111.4L115 L127 A128 C134 K135 V141L115-L131 HydrophobicContact CD2-CD2 3.97Å; L115-L131 HydrophobicContact CD2-CG 4.13Å; L127-L131 HydrophobicContact CD1-CD1 4.19Å; L127-L131 HydrophobicContact CD1-CG 4.21Å; L127-L131 HydrophobicContact CG-CD1 3.98Å; L127-L131 HydrophobicContact CG-CG 4.41Å; L127-L131 WeakPolarHBondContact O-CB 3.18Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.33Å; L127-L131 PolarHBondContact O-N 3.39Å; A128-L131 PolarHBondContact O-N 2.95Å; L131-C134 WeakPolarHBondContact O-CB 3.38Å; L131-C134 PolarHBondContact O-N 2.81Å; L131-K135 VanDerWaalsContact O-CG 3.29Å; L131-K135 WeakPolarHBondContact O-CG 3.28Å; L131-K135 PolarHBondContact O-N 3.22Å; L131-V141 HydrophobicContact CD2-CB 3.83Å; L131-V141 HydrophobicContact CD2-CG1 3.77Å; L131-V141 HydrophobicContact CD2-CG2 4.01Å
132D88.9Confident83.8Confident88 Ų8865.8 Ų65.847%0.47137%0.371SS..Hα-helixtrans-71.5-35.4178.7-66.4-25.8000112.2A128 L130 K135 A136A128-D132 PolarHBondContact O-N 3.49Å; L130-D132 VanDerWaalsContact C-N 3.34Å; L130-D132 PolarHBondContact O-N 3.36Å; D132-K135 PolarHBondContact O-N 2.98Å; D132-K135 WeakPolarHBondContact OD1-CE 3.33Å; D132-K135 IonicContact OD1-NZ 2.69Å; D132-K135 PolarHBondContact OD1-NZ 2.92Å; D132-A136 WeakPolarHBondContact O-CB 3.5Å; D132-A136 PolarHBondContact O-N 3.48Å
133A88.3Confident82.8Confident21 Ų2166.5 Ų66.517%0.17436%0.361CS..Hα-helixtrans-67.2-35169.600000112.9L98 T129 L130 A136 K137L98-A133 HydrophobicContact CD1-CB 3.79Å; L98-A133 HydrophobicContact CD2-CB 3.95Å; L98-A133 HydrophobicContact CG-CB 4.33Å; T129-A133 WeakPolarHBondContact O-CB 3.03Å; T129-A133 PolarHBondContact O-N 3.16Å; L130-A133 PolarHBondContact O-N 3.21Å; A133-A136 PolarHBondContact O-N 2.84Å; A133-K137 WeakPolarHBondContact O-CB 3.16Å; A133-K137 WeakPolarHBondContact O-CG 3.22Å; A133-K137 PolarHBondContact O-N 3.29Å
134C86.9Confident81.8Confident3 Ų369.9 Ų69.92%0.0238%0.378CS..Hα-helixtrans-65.4-43.1172-75.70000111.9P104 L130 L131 A136 K137 G138 T139 V141P104-C134 VanDerWaalsContact CG-SG 3.58Å; L130-C134 WeakPolarHBondContact O-CB 3.24Å; L130-C134 PolarHBondContact O-N 3.49Å; L130-C134 PolarHBondContact O-SG 2.92Å; L131-C134 WeakPolarHBondContact O-CB 3.38Å; L131-C134 PolarHBondContact O-N 2.81Å; C134-A136 VanDerWaalsContact C-N 3.34Å; C134-A136 PolarHBondContact O-N 2.72Å; C134-K137 CarbonylContact O-C 3.49Å; C134-K137 PolarHBondContact O-N 3.42Å; C134-G138 PolarHBondContact O-N 3Å; C134-G138 VanDerWaalsContact O-N 3.12Å; C134-T139 WeakPolarHBondContact CA-OG1 3.47Å; C134-T139 WeakPolarHBondContact CB-OG1 3.32Å; C134-T139 PolarHBondContact O-N 3.38Å; C134-T139 PolarHBondContact O-OG1 3.11Å; C134-V141 HydrophobicContact CB-CG2 3.73Å
135K85.6Confident80.5Confident101 Ų10161.6 Ų61.644%0.43935%0.352SS..Hα-helixtrans-58.9-45.8172.1-67.5165-157.3167.50110.9L131 D132 K137 G138 N161L131-K135 VanDerWaalsContact O-CG 3.29Å; L131-K135 WeakPolarHBondContact O-CG 3.28Å; L131-K135 PolarHBondContact O-N 3.22Å; D132-K135 PolarHBondContact O-N 2.98Å; D132-K135 WeakPolarHBondContact OD1-CE 3.33Å; D132-K135 IonicContact OD1-NZ 2.69Å; D132-K135 PolarHBondContact OD1-NZ 2.92Å; K135-K137 VanDerWaalsContact C-N 3.31Å; K135-K137 PolarHBondContact O-N 3.12Å; K135-G138 PolarHBondContact O-N 3.35Å; K135-N161 WeakPolarHBondContact CE-OD1 3.24Å; K135-N161 PolarHBondContact NZ-OD1 2.89Å
136A84.8Confident79.1Confident91 Ų9159.2 Ų59.275%0.75235%0.347SS*.Hα-helixtrans-64.7-31177.700000113.4D132 A133 C134 G138D132-A136 WeakPolarHBondContact O-CB 3.5Å; D132-A136 PolarHBondContact O-N 3.48Å; A133-A136 PolarHBondContact O-N 2.84Å; C134-A136 VanDerWaalsContact C-N 3.34Å; C134-A136 PolarHBondContact O-N 2.72Å; A136-G138 VanDerWaalsContact C-N 3.28Å
137K80.8Confident77.3Confident90 Ų9061.3 Ų61.339%0.39136%0.358SS..THydrogen-bonded Turntrans-82.53170.8-73.5-173.9170.3-173.80113.8A102 D103 A133 C134 K135 T139A102-K137 PolarHBondContact O-NZ 3.07Å; D103-K137 IonicContact OD1-NZ 2.66Å; D103-K137 PolarHBondContact OD1-NZ 3.35Å; A133-K137 WeakPolarHBondContact O-CB 3.16Å; A133-K137 WeakPolarHBondContact O-CG 3.22Å; A133-K137 PolarHBondContact O-N 3.29Å; C134-K137 CarbonylContact O-C 3.49Å; C134-K137 PolarHBondContact O-N 3.42Å; K135-K137 VanDerWaalsContact C-N 3.31Å; K135-K137 PolarHBondContact O-N 3.12Å; K137-T139 PolarHBondContact O-N 3.1Å
138G77.1Confident75.8Confident66 Ų6664.9 Ų64.968%0.6838%0.382SS*.THydrogen-bonded Turntrans71.112.2179.100000114.9C134 K135 A136C134-G138 PolarHBondContact O-N 3Å; C134-G138 VanDerWaalsContact O-N 3.12Å; K135-G138 PolarHBondContact O-N 3.35Å; A136-G138 VanDerWaalsContact C-N 3.28Å
139T75.6Confident73.9Confident56 Ų5663.9 Ų63.934%0.34437%0.372SS..  trans-90.2108.5178.5550000110.4C134 K137 V141C134-T139 WeakPolarHBondContact CA-OG1 3.47Å; C134-T139 WeakPolarHBondContact CB-OG1 3.32Å; C134-T139 PolarHBondContact O-N 3.38Å; C134-T139 PolarHBondContact O-OG1 3.11Å; K137-T139 PolarHBondContact O-N 3.1Å; T139-V141 PolarHBondContact O-N 2.87Å
140E66.4Low72.4Confident154 Ų15468.9 Ų68.972%0.7241%0.405SS*.  trans-67114.8172.5-66.7-163.2151.700111.1I142E140-I142 PolarHBondContact O-N 2.99Å
141V68.6Low71.6Confident33 Ų3373.1 Ų73.120%0.243%0.434CS..  trans-88.499.3173.5-177.80000108.6L115 L131 C134 T139 I143L115-V141 HydrophobicContact CD1-CG1 3.94Å; L115-V141 HydrophobicContact CD1-CG2 3.71Å; L131-V141 HydrophobicContact CD2-CB 3.83Å; L131-V141 HydrophobicContact CD2-CG1 3.77Å; L131-V141 HydrophobicContact CD2-CG2 4.01Å; C134-V141 HydrophobicContact CB-CG2 3.73Å; T139-V141 PolarHBondContact O-N 2.87Å; V141-I143 HydrophobicContact CG1-CG1 4.36Å
142I66.7Low70.5Confident80 Ų8074.5 Ų74.541%0.4146%0.456SS..  trans-83.2112.8171.8-59.2175.3000108.8E140 I144 Q158E140-I142 PolarHBondContact O-N 2.99Å; I142-I144 HydrophobicContact CG2-CG1 3.85Å; I142-Q158 HydrophobicContact CG2-CG 3.94Å
143I65Low69.4Low68 Ų6873.7 Ų73.735%0.34945%0.454SS..EExtended strand (participates in β ladder)trans-87.4112.7168.8-58.1175.4000107.6V141 T145 Y159V141-I143 HydrophobicContact CG1-CG1 4.36Å; I143-T145 HydrophobicContact CG2-CG2 4.29Å; I143-Y159 PolarHBondContact O-N 3.13Å
144I65.9Low68Low107 Ų10780.3 Ų80.355%0.54948%0.479SS..EExtended strand (participates in β ladder)trans-98.3101.8170.7-53.7175.9000107.4I142 T156I142-I144 HydrophobicContact CG2-CG1 3.85Å; I144-T156 HydrophobicContact CG2-CG2 3.76Å
145T60Low66.6Low44 Ų4486.1 Ų86.127%0.2750%0.504SS..EExtended strand (participates in β ladder)trans-77.6137.1164.566.80000108.6I143 D147 T156 R157 Y159I143-T145 HydrophobicContact CG2-CG2 4.29Å; T145-D147 VanDerWaalsContact C-N 3.33Å; T145-D147 VanDerWaalsContact CB-OD1 3.23Å; T145-D147 WeakPolarHBondContact CB-OD1 3.26Å; T145-D147 PolarHBondContact O-N 3.46Å; T145-D147 PolarHBondContact OG1-OD1 3.48Å; T145-T156 WeakPolarHBondContact O-CA 3.48Å; T145-R157 PolarHBondContact N-O 3.09Å; T145-R157 PolarHBondContact O-N 2.94Å; T145-Y159 HydrophobicContact CG2-CD2 4.14Å; T145-Y159 HydrophobicContact CG2-CE2 3.82Å
146T60.8Low64.8Low93 Ų9386.3 Ų86.357%0.57151%0.514SS*.EExtended strand (participates in β ladder)trans-91.175.3164.356.60000108.2T148T146-T148 PolarHBondContact O-N 2.63Å
147D51.9Low63.4Low47 Ų4788.7 Ų88.725%0.25150%0.503SS..EExtended strand (participates in β ladder)trans-60.6108.2176.5-76.212.7000108.5T145 S149 K155 R157T145-D147 VanDerWaalsContact C-N 3.33Å; T145-D147 VanDerWaalsContact CB-OD1 3.23Å; T145-D147 WeakPolarHBondContact CB-OD1 3.26Å; T145-D147 PolarHBondContact O-N 3.46Å; T145-D147 PolarHBondContact OG1-OD1 3.48Å; D147-S149 PolarHBondContact O-N 2.95Å; D147-K155 PolarHBondContact N-O 3.28Å; D147-K155 PolarHBondContact O-N 3.1Å; D147-R157 WeakPolarHBondContact OD2-CD 3.38Å; D147-R157 IonicContact OD2-CZ 3.61Å; D147-R157 IonicContact OD2-NE 3.8Å; D147-R157 IonicContact OD2-NH1 2.71Å; D147-R157 PolarHBondContact OD2-NH1 3.18Å
148T57.4Low62.1Low107 Ų10790.6 Ų90.666%0.65651%0.514SS*.EExtended strand (participates in β ladder)trans-73.994.816849.40000107.8T146T146-T148 PolarHBondContact O-N 2.63Å
149S50.5Low61.2Low22 Ų2292.7 Ų92.715%0.15450%0.502CS..  trans-57.7156.1172.261.60000111.1D147 S151 G152 T153D147-S149 PolarHBondContact O-N 2.95Å; S149-S151 PolarHBondContact O-N 2.97Å; S149-S151 PolarHBondContact OG-OG 2.99Å; S149-G152 PolarHBondContact O-N 2.84Å; S149-T153 PolarHBondContact N-O 3.16Å; S149-T153 VanDerWaalsContact N-O 3.15Å; S149-T153 PolarHBondContact OG-N 2.83Å; S149-T153 PolarHBondContact OG-O 3.1Å; S149-T153 PolarHBondContact OG-OG1 3.43Å
150P61.4Low59.9Low148 Ų14894 Ų9496%0.96151%0.506SS*.THydrogen-bonded Turntrans-62-11.2179.223.5-34.2000114.4G152P150-G152 VanDerWaalsContact C-N 3.32Å
151S71.5Confident59Low88 Ų8891 Ų9162%0.61550%0.495SS*.THydrogen-bonded Turntrans-89.112.3169.462.50000114.1S149 T153S149-S151 PolarHBondContact O-N 2.97Å; S149-S151 PolarHBondContact OG-OG 2.99Å; S151-T153 PolarHBondContact O-N 3.41Å; S151-T153 PolarHBondContact OG-OG1 3.09Å
152G67Low57.4Low58 Ų5893.5 Ų93.560%0.59851%0.514SS*.SBendtrans73.6-11.9-178.100000115S149 P150 K154S149-G152 PolarHBondContact O-N 2.84Å; P150-G152 VanDerWaalsContact C-N 3.32Å; G152-K154 PolarHBondContact O-N 3.5Å
153T65.5Low55.9Low70 Ų7094.8 Ų94.843%0.42953%0.528SS..  trans-68.3123.2178.8680000110.5S149 S151 K155S149-T153 PolarHBondContact N-O 3.16Å; S149-T153 VanDerWaalsContact N-O 3.15Å; S149-T153 PolarHBondContact OG-N 2.83Å; S149-T153 PolarHBondContact OG-O 3.1Å; S149-T153 PolarHBondContact OG-OG1 3.43Å; S151-T153 PolarHBondContact O-N 3.41Å; S151-T153 PolarHBondContact OG-OG1 3.09Å; T153-K155 PolarHBondContact O-N 3.31Å
154K58.8Low54.8Low161 Ų16197.4 Ų97.470%0.755%0.549SS*.EExtended strand (participates in β ladder)trans-72111.8171.9-66.9177.9-179.3177.80108.4G152G152-K154 PolarHBondContact O-N 3.5Å
155K57.1Low53.4Low124 Ų12497.7 Ų97.754%0.53956%0.56SS.*EExtended strand (participates in β ladder)trans-102.9118174.4-66.3-169.9178.1-175.30109.3D147 T153 R157D147-K155 PolarHBondContact N-O 3.28Å; D147-K155 PolarHBondContact O-N 3.1Å; T153-K155 PolarHBondContact O-N 3.31Å; K155-R157 PolarHBondContact O-N 2.93Å
156T49.1Very low52.7Low106 Ų106102 Ų10265%0.6559%0.589SS**EExtended strand (participates in β ladder)trans-77.9108.517347.30000109.4I144 T145I144-T156 HydrophobicContact CG2-CG2 3.76Å; T145-T156 WeakPolarHBondContact O-CA 3.48Å
157R54.1Low52Low141 Ų141101.1 Ų101.153%0.53260%0.599SS.*EExtended strand (participates in β ladder)trans-94.4120.4169.8-78.1-174.7165.6148.8-17.6109.6T145 D147 K155 Y159T145-R157 PolarHBondContact N-O 3.09Å; T145-R157 PolarHBondContact O-N 2.94Å; D147-R157 WeakPolarHBondContact OD2-CD 3.38Å; D147-R157 IonicContact OD2-CZ 3.61Å; D147-R157 IonicContact OD2-NE 3.8Å; D147-R157 IonicContact OD2-NH1 2.71Å; D147-R157 PolarHBondContact OD2-NH1 3.18Å; K155-R157 PolarHBondContact O-N 2.93Å; R157-Y159 HydrophobicContact CB-CD2 4.13Å; R157-Y159 HydrophobicContact CB-CE2 3.52Å; R157-Y159 WeakPolarHBondContact CD-OH 3.47Å; R157-Y159 PolarHBondContact O-N 3.14Å
158Q54.8Low51.5Low130 Ų130105.4 Ų105.461%0.60763%0.626SS**EExtended strand (participates in β ladder)trans-81.4102.7171.2172.8170.87.100108.9I142 L160I142-Q158 HydrophobicContact CG2-CG 3.94Å; Q158-L160 PolarHBondContact O-N 2.82Å
159Y57.8Low50.7Low109 Ų109108.8 Ų108.843%0.42764%0.635SS.*EExtended strand (participates in β ladder)trans-85.895.4168.2-66.4-87.1000108.9I143 T145 R157I143-Y159 PolarHBondContact O-N 3.13Å; T145-Y159 HydrophobicContact CG2-CD2 4.14Å; T145-Y159 HydrophobicContact CG2-CE2 3.82Å; R157-Y159 HydrophobicContact CB-CD2 4.13Å; R157-Y159 HydrophobicContact CB-CE2 3.52Å; R157-Y159 WeakPolarHBondContact CD-OH 3.47Å; R157-Y159 PolarHBondContact O-N 3.14Å
160L47.9Very low50.2Low85 Ų85115.6 Ų115.645%0.44567%0.67SS.*  trans-71.2165.4161-143.677.1000109.2Q158 S162Q158-L160 PolarHBondContact O-N 2.82Å; L160-S162 PolarHBondContact O-N 3.08Å
161N46.7Very low49.2Very low90 Ų90114.2 Ų114.248%0.48166%0.661SS.*SBendtrans-76.139.1175.6-80.7-93000113.1K135K135-N161 WeakPolarHBondContact CE-OD1 3.24Å; K135-N161 PolarHBondContact NZ-OD1 2.89Å
162S36.3Very low47.5Very low86 Ų86114.5 Ų114.560%0.60167%0.668SS**PPolyproline II helixtrans-69.8128.2162.451.40000109L160L160-S162 PolarHBondContact O-N 3.08Å
163P34.8Very low46.4Very low107 Ų107117.6 Ų117.670%0.69568%0.678SS**PPolyproline II helixtrans-59.4149.7168.527.8-34.3000109.5S165P163-S165 PolarHBondContact O-N 2.86Å
164P41.4Very low45.2Very low123 Ų123118.7 Ų118.780%0.79969%0.694SS**PPolyproline II helixtrans-60.9122.6177.726-33.6000109.6P166P164-P166 WeakPolarHBondContact O-CD 3.45Å
165S36.8Very low44.3Very low112 Ų112117 Ų11778%0.78370%0.699SS**PPolyproline II helixtrans-55.8121174.2-57.20000109.3P163 G167P163-S165 PolarHBondContact O-N 2.86Å; S165-G167 PolarHBondContact O-N 3.25Å
166P44.6Very low43.6Very low135 Ų135116.7 Ų116.788%0.87771%0.71SS**SBendtrans-71.2132-176.428-33.9000110.6P164P164-P166 WeakPolarHBondContact O-CD 3.45Å
167G45.8Very low43Very low75 Ų75116.8 Ų116.877%0.77372%0.715SS**  trans100.559.416900000116.3S165S165-G167 PolarHBondContact O-N 3.25Å
168V41.6Very low42.5Very low137 Ų137116.4 Ų116.483%0.8373%0.731SS**  trans-129.198.4149.2-175.80000107.6
169E41Very low41.5Very low177 Ų177113.8 Ų113.883%0.82774%0.739SS**PPolyproline II helixtrans-82.7142.7165.8-61.1-174.3130.200108.9P171E169-P171 VanDerWaalsContact O-CD 3.23Å; E169-P171 WeakPolarHBondContact O-CD 3.37Å
170D40.4Very low40.2Very low166 Ų166114.8 Ų114.889%0.88876%0.756SS**PPolyproline II helixtrans-72.4118.2176.4-82.6-53.2000111.2
171P41.3Very low39.5Very low119 Ų119117.1 Ų117.177%0.77378%0.778SS**PPolyproline II helixtrans-91.4122.6173.63.717.1000110.8E169E169-P171 VanDerWaalsContact O-CD 3.23Å; E169-P171 WeakPolarHBondContact O-CD 3.37Å
172A34.4Very low39Very low94 Ų94118.5 Ų118.578%0.77779%0.79SS**PPolyproline II helixtrans-67.8165.2168.900000111.7
173P44Very low38.9Very low123 Ų123120.2 Ų120.280%0.79980%0.802SS**PPolyproline II helixtrans-85.4143.6-147.631.3-36.8000117.9
174A40.2Very low39.5Very low93 Ų93120.9 Ų120.977%0.76981%0.806SS**  trans26.7135.2146.500000121.9
175P39.6Very low39.6Very low125 Ų125121.1 Ų121.181%0.81281%0.811SS**  -126.5177.3105.633.4-23.2000113.5
176P42.8Very low39.4Very low118 Ų118123 Ų12377%0.76681%0.807SS**  trans-95.2159.6-146.5-6.124.8000120.3
177S37.1Very low39.1Very low107 Ų107123.2 Ų123.275%0.74881%0.805SS**  trans-6.7152.9146.259.80000120
178P43.6Very low38.4Very low133 Ų133125.4 Ų125.486%0.86480%0.796SS**  cis-143.3170.736.341.3-22.8000118.1
179G33.2Very low38Very low76 Ų76127 Ų12778%0.78480%0.799SS**  trans-177.9111.3172.200000114.5
180V31.5Very low37.6Very low129 Ų129127.2 Ų127.278%0.78280%0.8SS**  trans-56.6137.1-178.5175.40000114T182V180-T182 HydrophobicContact CG1-CG2 3.86Å
181C32.2Very low37.2Very low135 Ų135126.6 Ų126.691%0.91280%0.802SS**  trans-141.9137.1150.7-87.90000109.3
182T36.8Very low36.8Very low119 Ų119126 Ų12673%0.7381%0.807SS**  trans-110.3144.6-163.551.70000113.5V180V180-T182 HydrophobicContact CG1-CG2 3.86Å
183S34.7Very low36.7Very low122 Ų122125.3 Ų125.385%0.85381%0.81SS**  trans-155.4134.3149-80.30000110.3
184P46Very low36.1Very low120 Ų120123.6 Ų123.678%0.77981%0.814SS**  trans-100154-169.637.3-34.9000114.3
185S44Very low35.6Very low129 Ų129123 Ų12390%0.90282%0.816SS**  trans-160.4104.3148.7-79.80000108
186E33.5Very low35.3Very low152 Ų152129.4 Ų129.471%0.7183%0.825SS**  trans-111.4120.6-172178.1169.6-138.200109.8Q188E186-Q188 VanDerWaalsContact CG-OE1 3.24Å; E186-Q188 PolarHBondContact OE1-NE2 3.06Å
187V37.6Very low34.7Very low138 Ų138127.6 Ų127.684%0.83683%0.827SS**  trans-143.190.1169.7-176.90000108.1
188Q30.6Very low34.6Very low121 Ų121130.6 Ų130.657%0.56583%0.834SS**  trans-74.5141.3164.3-67.285-2.800110.6E186E186-Q188 VanDerWaalsContact CG-OE1 3.24Å; E186-Q188 PolarHBondContact OE1-NE2 3.06Å
189L33.1Very low33.9Very low172 Ų172132.4 Ų132.490%0.90184%0.836SS**  trans-116.7128145.6-70.7175.6000107.5
190Q34.1Very low33.7Very low181 Ų181133.9 Ų133.985%0.84683%0.834SS**  trans-96.9131.7-178.4-65.6178.6-10.300110.7
191T32Very low34.6Very low152 Ų152133.4 Ų133.493%0.93383%0.833SS**  trans-138.4143154.940.30000108.7
192A32.1Very low34.3Very low106 Ų106139 Ų13988%0.87684%0.835SS**  trans-110.3164.4-160.200000114.4
193G31.2Very low34Very low81 Ų81137.5 Ų137.584%0.83584%0.835SS**  trans99138.117500000113.2
194G31.3Very low33.7Very low86 Ų86140.7 Ų140.789%0.88784%0.837SS**  cis140.7105.7-5.500000112.3
195G30.9Very low33.1Very low80 Ų80143.6 Ų143.683%0.82584%0.84SS**  trans163.3141.8175.800000113.2
196R33.3Very low32.5Very low260 Ų260146.4 Ų146.498%0.98184%0.839SS**  trans-95.2145.8169.4-69.8176.1165.4-156.6-2.3109.4
197G30.8Very low32.5Very low80 Ų80146.2 Ų146.283%0.82584%0.838SS**  trans-162.3120.6169.700000111.6
198L33.5Very low32.4Very low170 Ų170147 Ų14789%0.8983%0.832SS**  trans-94.1166.3179.6-99.4166.8000111.5
199L29.8Very low32.7Very low171 Ų171148.1 Ų148.190%0.89584%0.835SS**  trans87.1150162.5-65.7160.1000119.9
200S29.4Very low32.7Very low108 Ų108149.1 Ų149.176%0.75583%0.827SS**  trans-163.1167.9174.8-146.80000106.1
201P49.7Very low32.7Very low118 Ų118147.3 Ų147.377%0.76682%0.823SS**  cis-129170.7-12.740.5-27.1000113.2
202R25.3Very low32.9Very low253 Ų253148 Ų14896%0.95582%0.819SS**  trans-165.6156.5132.3-154.9155.7-179.6151.4-0.8111.5
203A30.2Very low33Very low87 Ų87152.8 Ų152.872%0.71982%0.821SS**  trans-75.6157.2-172.600000115.6
204Q28.6Very low33Very low190 Ų190157.8 Ų157.889%0.88882%0.823SS**  -154.8-178124.3-111.3179.1-7700111
205E33.1Very low33.3Very low180 Ų180162.4 Ų162.484%0.84182%0.818SS**  trans-103-165.3-163-63.8162.9118.100113.2
206E32.3Very low33.6Very low189 Ų189164.5 Ų164.588%0.88382%0.818SS**  trans73.3111.4-175.4-55.3-174.7173.500113.8
207E34.6Very low34.1Very low147 Ų147159.4 Ų159.469%0.68781%0.809SS**  8294.565.4-158.5-158162.500114.5K209E207-K209 IonicContact OE1-NZ 3.49Å; E207-K209 PolarHBondContact OE1-NZ 3.47Å
208E34.5Very low34.7Very low154 Ų154161.4 Ų161.472%0.7281%0.808SS**  trans-140.8175.5133.1-135.9-154.7127.300111.5R210E208-R210 IonicContact OE1-CZ 3.77Å; E208-R210 IonicContact OE1-NE 3.77Å; E208-R210 IonicContact OE1-NH2 2.88Å; E208-R210 PolarHBondContact OE1-NH2 3.05Å
209K36.6Very low35.4Very low145 Ų145162.8 Ų162.863%0.6381%0.806SS**  trans-110.8-175.8-158.7-60.6175.2174.766.10112.3E207E207-K209 IonicContact OE1-NZ 3.49Å; E207-K209 PolarHBondContact OE1-NZ 3.47Å
210R33.3Very low36.2Very low193 Ų193160 Ų16073%0.72880%0.798SS**  trans90140.6162.3-57.4177-122.3-137-0.1116.6E208E208-R210 IonicContact OE1-CZ 3.77Å; E208-R210 IonicContact OE1-NE 3.77Å; E208-R210 IonicContact OE1-NH2 2.88Å; E208-R210 PolarHBondContact OE1-NH2 3.05Å
211D34.9Very low37.1Very low144 Ų144160.5 Ų160.577%0.7780%0.799SS**  cis-150.2139.4-17.2-92.5-34.4000108
212I36.5Very low36.7Very low166 Ų166162.5 Ų162.585%0.85180%0.803SS**  trans-131.1134.6172.3-68-178.9000108.7E214I212-E214 PolarHBondContact O-N 2.99Å
213F32.9Very low37.4Very low206 Ų206158.4 Ų158.490%0.90480%0.8SS**  trans-66.4117.5-175.7-83.8-111.1000112.2
214E31.4Very low38.2Very low187 Ų187160 Ų16087%0.87480%0.803SS**  trans-113.3133.5170-170.2168.3-135.600110.2I212I212-E214 PolarHBondContact O-N 2.99Å
215F37.2Very low39Very low182 Ų182156.2 Ų156.280%0.79880%0.798SS**PPolyproline II helixtrans-85.2128.1-178.5-88.1-98.1000111.1L217F215-L217 PolarHBondContact O-N 3.27Å
216P37.2Very low39.7Very low125 Ų125154 Ų15481%0.81280%0.799SS**PPolyproline II helixtrans-76.8116.2-178.629.7-34000112.2
217L45.1Very low40Very low153 Ų153150.7 Ų150.780%0.80180%0.797SS**PPolyproline II helixtrans-93.7151158.7-92.279.1000110.6F215F215-L217 PolarHBondContact O-N 3.27Å
218P41.9Very low40.6Very low122 Ų122152 Ų15279%0.79280%0.803SS**PPolyproline II helixtrans-71.6145.4-179.429.8-35.1000112.4
219K48.3Very low41Very low199 Ų199150.7 Ų150.787%0.86581%0.808SS**PPolyproline II helixtrans-70147177.3-62.8-178.7178.5-177.10112.1
220P47.3Very low41.5Very low111 Ų111151.2 Ų151.272%0.72182%0.817SS**PPolyproline II helixtrans-69.6156.6160.832.9-34.7000110.9
221P48.2Very low42.1Very low119 Ų119147.8 Ų147.877%0.77382%0.819SS**PPolyproline II helixtrans-75.9155.9169.933.4-35000111.9
222D40.8Very low42.8Very low161 Ų161150.4 Ų150.486%0.86182%0.824SS**PPolyproline II helixtrans-74.4142.9-172.2-48.5-91.2000114.6
223D39.7Very low43.4Very low166 Ų166147.7 Ų147.789%0.88882%0.817SS**PPolyproline II helixtrans-82.6126.9170-90.4-46.3000111.5
224P48.6Very low44.4Very low120 Ų120142.9 Ų142.978%0.77981%0.806SS**PPolyproline II helixtrans-81.7141.417132.4-33.1000112.3
225S45.4Very low45.1Very low112 Ų112145.7 Ų145.778%0.78381%0.809SS**PPolyproline II helixtrans-77.9167.9178.8620000112.7
226P47.1Very low45.9Very low133 Ų133144.7 Ų144.786%0.86481%0.806SS**PPolyproline II helixtrans-80.8148.9-149.831.4-36.2000115.1
227S38.6Very low47Very low119 Ų119143.8 Ų143.883%0.83280%0.8SS**  trans-115.3160.4171.237.70000111.7
228E47.5Very low47.5Very low176 Ų176142.5 Ų142.582%0.82280%0.802SS**  trans-68.3153.7-164.1-69-168.2118.300115.9L230E228-L230 PolarHBondContact O-N 3.39Å
229P42.5Very low48.1Very low125 Ų125145.8 Ų145.881%0.81280%0.803SS**  trans-77107.7-175.630.5-35.6000113.4
230L46.7Very low48.3Very low157 Ų157142.4 Ų142.482%0.82280%0.801SS**PPolyproline II helixtrans-63.1152166.7-85.399.8000112.7E228E228-L230 PolarHBondContact O-N 3.39Å
231P47.1Very low48.3Very low120 Ų120145 Ų14578%0.77981%0.808SS**PPolyproline II helixtrans-69.9145.6-170.127.2-35.6000113.9
232K49.6Very low48.2Very low200 Ų200149.1 Ų149.187%0.8781%0.814SS**PPolyproline II helixtrans-74.3133.5179.4-64.8164-174.81640110.5
233P49.3Very low48.3Very low109 Ų109151.6 Ų151.671%0.70881%0.812SS**PPolyproline II helixtrans-65.3152.6172.928.1-34.6000111.4R235P233-R235 PolarHBondContact O-N 2.86Å
234P52.9Low48.4Very low104 Ų104151.8 Ų151.868%0.67581%0.812SS**PPolyproline II helixtrans-64.7128.7-173.825.4-34.3000112.2H236P234-H236 PolarHBondContact O-N 2.84Å
235R45.4Very low48.1Very low247 Ų247152.3 Ų152.393%0.93281%0.808SS**  trans-76.8100.1172.8-71.1179.3172.6179.5-4.3109.8P233P233-R235 PolarHBondContact O-N 2.86Å
236H54.6Low48Very low160 Ų160152.3 Ų152.374%0.74181%0.808SS**PPolyproline II helixtrans-65.2139.7167.4-60-67.9000110.5P234P234-H236 PolarHBondContact O-N 2.84Å
237P60.8Low48.3Very low106 Ų106153.3 Ų153.369%0.68880%0.801SS**PPolyproline II helixtrans-65.6149.3174.428.3-34.6000110.7K239P237-K239 PolarHBondContact O-N 2.66Å
238P54.5Low49Very low127 Ų127153.1 Ų153.183%0.82580%0.797SS**PPolyproline II helixtrans-63.5121.5177.826.6-33.6000110.2
239K55.1Low48.8Very low190 Ų190156.4 Ų156.483%0.82680%0.802SS**PPolyproline II helixtrans-62.5130.1172.5-64.1178.6-179178.50108.4P237 L241P237-K239 PolarHBondContact O-N 2.66Å; K239-L241 PolarHBondContact O-N 3.2Å; K239-L241 VanDerWaalsContact O-N 3.15Å
240P52.1Low49.3Very low128 Ų128153.8 Ų153.883%0.83180%0.797SS**PPolyproline II helixtrans-64.4119.5178.325.8-33.1000109.6K242P240-K242 PolarHBondContact O-N 2.82Å
241L48.1Very low48.9Very low165 Ų165154.5 Ų154.586%0.86480%0.801SS**PPolyproline II helixtrans-63.2122.9170.5-69.5172.1000108.2K239 R243K239-L241 PolarHBondContact O-N 3.2Å; K239-L241 VanDerWaalsContact O-N 3.15Å; L241-R243 PolarHBondContact O-N 2.84Å; L241-R243 VanDerWaalsContact O-N 3.09Å
242K46.7Very low48.5Very low206 Ų206155.1 Ų155.190%0.89680%0.802SS**PPolyproline II helixtrans-56.3118.5171.2-82.9-177.1171.5-178.60108.1P240 L244P240-K242 PolarHBondContact O-N 2.82Å; K242-L244 PolarHBondContact O-N 2.97Å
243R41.8Very low47.9Very low214 Ų214149.5 Ų149.581%0.80879%0.793SS**  trans-61.5109.3166.3-61.6176.590.5-118.79.6106.5L241 N245L241-R243 PolarHBondContact O-N 2.84Å; L241-R243 VanDerWaalsContact O-N 3.09Å; R243-N245 PolarHBondContact O-N 3Å
244L41.9Very low47.6Very low170 Ų170149.5 Ų149.589%0.8979%0.793SS**  trans-63.7117.4159-83.3164000105.9K242 S246K242-L244 PolarHBondContact O-N 2.97Å; L244-S246 PolarHBondContact O-N 3.22Å
245N41.6Very low47Very low131 Ų131150.6 Ų150.670%0.70180%0.8SS**  trans-69.9104.3176.6-73.1-23.1000107.9R243 E247R243-N245 PolarHBondContact O-N 3Å; N245-E247 PolarHBondContact O-N 3.37Å
246S43.8Very low46.7Very low112 Ų112147.3 Ų147.378%0.78380%0.796SS**  trans-65114.4157.853.70000107.6L244L244-S246 PolarHBondContact O-N 3.22Å
247E53Low45.9Very low154 Ų154145.8 Ų145.872%0.7280%0.8SS**  trans-63.3133.2-178-62.318013600110.8N245 W249N245-E247 PolarHBondContact O-N 3.37Å; E247-W249 PolarHBondContact O-N 2.89Å
248P53.6Low45.1Very low114 Ų114147.1 Ų147.174%0.7481%0.805SS**  trans-77.793.8178.431.1-33.3000110.3G250P248-G250 PolarHBondContact O-N 3.36Å
249W43.8Very low44.6Very low246 Ų246146.3 Ų146.393%0.93280%0.8SS**THydrogen-bonded Turntrans-56.8108.3165.3-67.885.1000109.4E247E247-W249 PolarHBondContact O-N 2.89Å
250G52.2Low43.7Very low69 Ų69143.3 Ų143.371%0.71180%0.8SS**THydrogen-bonded Turntrans163.8-5.5-176.400000117.7P248 V252P248-G250 PolarHBondContact O-N 3.36Å; G250-V252 PolarHBondContact O-N 3.08Å
251L37.9Very low42.9Very low172 Ų172142.1 Ų142.190%0.90180%0.801SS**  trans-76.586.8174.1-90.3164.9000111.6A253L251-A253 PolarHBondContact O-N 3.32Å
252V40Very low42.2Very low134 Ų134143.8 Ų143.881%0.81281%0.805SS**PPolyproline II helixtrans-67.1122.3165.9178.10000108.9G250G250-V252 PolarHBondContact O-N 3.08Å
253A37.1Very low41.5Very low81 Ų81137.7 Ų137.767%0.66980%0.8SS**PPolyproline II helixtrans-71.6138.7176.700000111.3L251L251-A253 PolarHBondContact O-N 3.32Å
254P42.4Very low41.2Very low110 Ų110139.2 Ų139.271%0.71481%0.806SS**PPolyproline II helixtrans-70.2143.8171.230.3-34000110.6
255P40.9Very low41.1Very low126 Ų126137.5 Ų137.582%0.81881%0.805SS**PPolyproline II helixtrans-69.5140.7178.729.2-34.6000111.5
256Q38.9Very low40.6Very low179 Ų179135 Ų13584%0.83681%0.811SS**PPolyproline II helixtrans-77.9144.5172.5-67.3-171.8-2.700111.2
257P36.8Very low40Very low128 Ų128138 Ų13883%0.83181%0.814SS**PPolyproline II helixtrans-76.4137.517531.4-33.8000111.5
258V44.9Very low39.3Very low133 Ų133139.5 Ų139.581%0.80682%0.821SS**PPolyproline II helixtrans-94.3135.2173.3-168.10000108.6
259P42.9Very low38.2Very low110 Ų110145 Ų14571%0.71483%0.827SS**PPolyproline II helixtrans-69.4153.9-179.528.3-35.6000112.7
260P36.6Very low37.8Very low128 Ų128141.8 Ų141.883%0.83183%0.827SS**PPolyproline II helixtrans-76.1149.4178.832.4-35.4000112.2
261A35.3Very low36.7Very low103 Ų103143.1 Ų143.185%0.85183%0.831SS**  trans-122.9134.9164.900000109.2
262E33.3Very low36.6Very low200 Ų200139.9 Ų139.994%0.93583%0.83SS**  trans-88.2164179.8-56.5-178.7125.800111.2
263G32.8Very low36.2Very low77 Ų77142.7 Ų142.779%0.79483%0.834SS**  trans131.296.5167.300000116.3
264R34.6Very low35.9Very low246 Ų246147.3 Ų147.393%0.92884%0.839SS**  trans-104.4170.6148.6-72.8-175.5177-172.5-0.1107.2
265P41.3Very low35.6Very low134 Ų134148.4 Ų148.487%0.8784%0.839SS**  cis-133.1-178.9841.8-25000115.4
266G30Very low35.9Very low80 Ų80146.1 Ų146.183%0.82584%0.838SS**  trans-170.1144.8165.800000110.3
267M32.3Very low35.9Very low174 Ų174145.9 Ų145.986%0.85784%0.842SS**  trans-143.6118.6-172.8179.2-17275.400112.4
268E37.4Very low35.7Very low186 Ų186146.4 Ų146.487%0.86984%0.843SS**  trans-172.4128.7153.3-103.7153.4-149.800105.4
269R31Very low35.2Very low230 Ų230148.1 Ų148.187%0.86885%0.847SS**  cis77.261.735.7-154.1-170.8-177.1179.21.3114.7
270L35.1Very low35Very low178 Ų178149.4 Ų149.493%0.93285%0.853SS**  trans-106.7131145.7-72.2174.7000109.2
271A29.5Very low34.7Very low96 Ų96147 Ų14779%0.79385%0.851SS**  trans-99.6141.7170.200000108.8
272A35.2Very low34.8Very low105 Ų105153.8 Ų153.887%0.86886%0.855SS**  trans-119.6112166.500000107.5
273E33Very low35.2Very low193 Ų193150.1 Ų150.190%0.90285%0.848SS**  trans-80.5139.3175.4-60.9-179131.700109.9
274F30.3Very low35.3Very low177 Ų177157.9 Ų157.978%0.77685%0.854SS**  trans-148.4131.5161.1-164-117.8000110.5
275N35Very low35.2Very low133 Ų133154.6 Ų154.671%0.71185%0.854SS**SBendtrans48.569.4176.8-63.7-7.3000114.8L277N275-L277 PolarHBondContact O-N 2.86Å
276G48.7Very low34.7Very low78 Ų78153.6 Ų153.680%0.80485%0.85SS**  trans-64.6115.5-177.200000114.7
277L37.6Very low34.8Very low174 Ų174161 Ų16191%0.91185%0.853SS**  trans-136.2102.8150.8-76.9-178.9000109.2N275N275-L277 PolarHBondContact O-N 2.86Å
278T33.3Very low34.7Very low139 Ų139162.4 Ų162.485%0.85385%0.849SS**  trans-85.9125.9164.551.80000109.6
279L34.9Very low34.5Very low169 Ų169161.3 Ų161.389%0.88584%0.843SS**  trans-154.6164156.6-113169.7000111.2
280T37.2Very low34.5Very low137 Ų137155.6 Ų155.684%0.8484%0.838SS**  trans-118.1156.7-160.653.40000112.2
281G31.2Very low34.8Very low78 Ų78153.2 Ų153.280%0.80483%0.831SS**  trans146123164.900000116.7
282R36.3Very low34.9Very low246 Ų246158.2 Ų158.293%0.92884%0.838SS**  trans-102.6171.2150.8-71.8-179.4170.6-176.5-1.3106.8
283P42.5Very low34.9Very low123 Ų123156.5 Ų156.580%0.79983%0.831SS**  cis-140.3-170.914.143.1-23.7000116.5
284R34.5Very low35.9Very low240 Ų240153 Ų15391%0.90683%0.825SS**  trans-39.9151.1166-61.3167161.5-179.1-7.5115.5
285L32.8Very low35.9Very low177 Ų177152.6 Ų152.693%0.92783%0.825SS**  trans-152.2164.3130.7-111178.3000111.8
286S30.9Very low35.9Very low112 Ų112153.2 Ų153.278%0.78383%0.828SS**  trans-109.7141.9-178.5-41.50000111.5
287R31.8Very low36Very low236 Ų236154.8 Ų154.889%0.89183%0.825SS**  trans-164.6129.9145-167.6158-77.1-159.1-2.5115.4
288R31.3Very low36.3Very low204 Ų204152.5 Ų152.577%0.7782%0.82SS**  trans-3.6139.8151.8-62.4173.7-179.5-84.61.5121.3
289H33.2Very low36.7Very low163 Ų163151.6 Ų151.676%0.75582%0.817SS**  trans1122.5144.3-22-84000120.3
290S30.8Very low36.6Very low109 Ų109155.3 Ų155.376%0.76282%0.819SS**  -176.3137.2129.1-83.20000105.8
291T41.8Very low36.4Very low128 Ų128152.9 Ų152.979%0.78581%0.813SS**  cis78.365.534.673.80000116
292E31.5Very low36.7Very low202 Ų202156 Ų15694%0.94481%0.806SS**  trans-137.5162.6150.7-66.2-168.3132.400109.1
293G34.2Very low36.9Very low69 Ų69151.8 Ų151.871%0.71180%0.795SS**  trans-140.9-150.8173.600000108.8
294P53.8Low36.5Very low120 Ų120151.2 Ų151.278%0.77979%0.789SS**  cis-126.5-114.7-1.239.2-19000112.4
295E31.4Very low36.5Very low167 Ų167146 Ų14678%0.7878%0.784SS**  trans71136.3178.3-60.7173.3-169.200116
296D33.9Very low36.5Very low146 Ų146141.4 Ų141.478%0.78178%0.779SS**  cis-156.9153.3-11.4-124.94.1000112
297P51.5Low36.5Very low112 Ų112140 Ų14073%0.72778%0.783SS**  trans-106.5133.6-177.536.7-29.9000115.6
298P44.3Very low36.5Very low125 Ų125132.3 Ų132.381%0.81278%0.777SS**  trans-96.1166.9174.437.4-33.8000113.6
299P39.9Very low37.5Very low121 Ų121128.1 Ų128.179%0.78678%0.776SS**  -128.4152-125.140.6-29.1000117.5
300W34.4Very low37.5Very low247 Ų247128 Ų12894%0.93678%0.78SS**  trans-143.2141.3137.159-78.9000108.9
301A32.2Very low37.8Very low85 Ų85128.8 Ų128.870%0.70279%0.785SS**  trans-133.7179-171.800000110.6
302E38.2Very low37.3Very low144 Ų144134.2 Ų134.267%0.67379%0.791SS**  trans73.3138.2-173.6-49.6-136.6127.900113.9
303K39.2Very low37.3Very low158 Ų158135.1 Ų135.169%0.68779%0.786SS**  cis-159.2164.9-4.5-116.8170.6-176.4143.10106.2
304V34.6Very low37.2Very low111 Ų111139.7 Ų139.767%0.67379%0.794SS**  cis-153.8158.813.480.90000109.2
305T35.7Very low36.1Very low131 Ų131139 Ų13980%0.80479%0.788SS**  trans29.7133.7165.761.20000121.4
306G32Very low36.2Very low79 Ų79135.5 Ų135.581%0.81479%0.788SS**  cis141143.40.800000112.2
307G30.8Very low37.1Very low84 Ų84134.3 Ų134.387%0.86679%0.788SS**  trans83.389.9167.800000117.1
308G32.3Very low36.2Very low74 Ų74138.2 Ų138.276%0.76380%0.797SS**  trans-89.3-144.3144.600000109.7
309P51.7Low35.6Very low115 Ų115136.2 Ų136.275%0.74779%0.791SS**  cis-141.9-155.5-7.730.1-4.4000112.9
310L32.8Very low35.2Very low162 Ų162139.7 Ų139.785%0.84880%0.796SS**  trans88.9117.3157.5-50.9-178.3000119.8
311S38.3Very low35Very low124 Ų124137 Ų13787%0.86779%0.794SS**  trans-86126.6162.8-44.60000111.2
312R30.8Very low35.1Very low243 Ų243138.7 Ų138.792%0.91780%0.801SS**  trans-163.2125.6159.3-127.9-178.9-177.1-143.20.8114.4
313R30.5Very low34.8Very low220 Ų220135.1 Ų135.183%0.8380%0.803SS**  trans134.3136.5168.1-84172153156-3.5108.6T315R313-T315 WeakPolarHBondContact CD-OG1 3.46Å; R313-T315 WeakPolarHBondContact CG-OG1 3.22Å; R313-T315 PolarHBondContact NE-OG1 3.4Å
314N32.1Very low34.6Very low166 Ų166135.8 Ų135.889%0.88881%0.813SS**  cis47.869.2-1.4-74.816.2000116.4
315T32.1Very low35.3Very low104 Ų104135.9 Ų135.964%0.63882%0.816SS**  trans-173.9131.8135.634.60000109R313R313-T315 WeakPolarHBondContact CD-OG1 3.46Å; R313-T315 WeakPolarHBondContact CG-OG1 3.22Å; R313-T315 PolarHBondContact NE-OG1 3.4Å
316A33.5Very low35.3Very low95 Ų95135.5 Ų135.579%0.78582%0.818SS**  trans-138.6174.9160.100000106.2
317P52.5Low35.3Very low121 Ų121135 Ų13579%0.78681%0.814SS**  cis-131.2177.8-2.342.3-27.6000114.4
318E31.4Very low35.4Very low194 Ų194138.9 Ų138.991%0.90781%0.814SS**  trans-143.9164.5147.1-83.3-170.3110.400108.4
319A32Very low35.5Very low83 Ų83144.4 Ų144.469%0.68681%0.811SS**  cis175.693.5-46.100000109
320Q31.8Very low34.7Very low193 Ų193144.9 Ų144.990%0.90280%0.804SS**  trans-16999.4161.8-111.7171.3-12.700107.1
321E31.2Very low34.7Very low191 Ų191145.4 Ų145.489%0.89380%0.799SS**  71.499.668.7-73.6-130.299.900115.3
322S33.6Very low34.2Very low121 Ų121147.5 Ų147.585%0.84680%0.8SS**  trans-163.6102.6146.962.80000112
323G30.8Very low34.3Very low69 Ų69142 Ų14271%0.71180%0.799SS**  trans65.8104163.500000117.4
324L36.1Very low34.2Very low172 Ų172141.6 Ų141.690%0.90180%0.797SS**  83.9143.161.1-66.9177.4000115.5
325P49.5Very low34Very low113 Ų113140.4 Ų140.473%0.73479%0.788SS**  trans-143.5175-130.143-24.3000118.2
326S35.6Very low34Very low122 Ų122143.6 Ų143.685%0.85380%0.795SS**  trans-163.7151.4145.1-80.30000107.8
327G32.1Very low34.9Very low70 Ų70144.2 Ų144.272%0.72279%0.791SS**  cis95.912122.100000109.5
328L32.5Very low33.8Very low165 Ų165145.4 Ų145.486%0.86480%0.796SS**  cis-159.3165.49.7-106.9161.6000110.4
329R35.3Very low33.8Very low189 Ų189144.1 Ų144.171%0.71379%0.79SS**  trans69.9111.6150.6-79.6176.9155.5-116.62.8122.8
330Q33.3Very low34.1Very low125 Ų125146.6 Ų146.658%0.58479%0.791SS**  82.3133.2115.8-73.3-176.414.300124.1
331K33.3Very low34.1Very low173 Ų173143.7 Ų143.775%0.75278%0.782SS**  trans79.1110140.9-77.1177.1175.9-176.40121.2
332L29.2Very low34.4Very low169 Ų169140.6 Ų140.689%0.88578%0.776SS**  39.4103.7117.8-69.5166.4000118.8
333S31.4Very low35.3Very low128 Ų128140.7 Ų140.790%0.89577%0.774SS**  -159.8177.6128.466.90000111.5
334R28.2Very low35.3Very low211 Ų211140.6 Ų140.680%0.79677%0.773SS**  trans-124.7157.8-163.4168.3-169.4173167.2-0109.7
335M28.3Very low35.3Very low140 Ų140140 Ų14069%0.6977%0.765SS**  trans107108.4166.2-61.2-56.6-160.700116.4
336E32.5Very low34.4Very low171 Ų171143.7 Ų143.780%0.79977%0.77SS**  48.9153.7116.5-58.7-48.3102.900122.9
337P51.9Low34.2Very low108 Ų108143.7 Ų143.770%0.70177%0.768SS**  trans-109.4170-153.642-35.9000116.7
338V30.5Very low35.6Very low147 Ų147145.3 Ų145.389%0.89177%0.766SS**  trans-140167.6163.5-1790000109.1
339E31.2Very low35.2Very low167 Ų167145 Ų14578%0.7877%0.765SS**  trans-103.5177.6-156-50.4175.2107.600117.3
340L38.4Very low35.2Very low135 Ų135141.2 Ų141.271%0.70777%0.768SS**  trans103.7156.7131.5-128.369000122.3
341D30.5Very low36.4Very low131 Ų131140.4 Ų140.470%0.70177%0.774SS**  trans73.1150159.1-70.2-29.4000120.2
342T39Very low36.1Very low127 Ų127141.3 Ų141.378%0.77978%0.78SS**  cis-150.6176.20.97.80000111.7
343P51.9Low36.3Very low123 Ų123137.7 Ų137.780%0.79978%0.775SS**  trans-123.5-175.3-162.145.4-36.2000117.8
344G31.1Very low36.4Very low66 Ų66137.6 Ų137.668%0.6878%0.775SS**  trans167.4161.916100000113.8
345H36.3Very low36.7Very low161 Ų161139.1 Ų139.175%0.74578%0.78SS**  cis-168.4171.2-9.5-135.780.6000111.2
346F30.8Very low36.8Very low190 Ų190141 Ų14183%0.83379%0.792SS**  trans88.5147167-58.6-69000121.9
347C31.2Very low36.7Very low121 Ų121137 Ų13782%0.81879%0.788SS**  trans-139.4-156.1-172.9-45.30000107.5
348P60.3Low35.8Very low105 Ų105139.8 Ų139.868%0.68280%0.796SS**  cis-132.3-178.4-18.432.1-9.9000113.6
349D24.4Very low36.1Very low157 Ų157138.5 Ų138.584%0.8478%0.781SS**  176.9168.5115-96.2-15.6000114.7
350S35.6Very low36.2Very low111 Ų111139.3 Ų139.378%0.77678%0.776SS**  trans-163.8-179.4-172.5-133.90000108.6
351P57.8Low36Very low107 Ų107142.1 Ų142.170%0.69578%0.777SS**  cis-134.1-172.8-3.740.8-22.2000113.8
352E26.9Very low36.3Very low192 Ų192146.3 Ų146.390%0.89778%0.784SS**  176.7172.8122.2-88.2-120.4117.600110.3
353A33.6Very low36Very low93 Ų93151 Ų15177%0.76979%0.789SS**  trans-141.3157.1-163.200000115.2
354S33.9Very low35Very low127 Ų127151 Ų15189%0.88879%0.791SS**  trans-148.3156157.7-23.20000110.5
355R33.8Very low35.1Very low242 Ų242152.5 Ų152.591%0.91380%0.798SS**  trans-106.5151.7-171.8-66.1165.1134.3139-5.9111.6
356L30.3Very low35.3Very low181 Ų181150.2 Ų150.295%0.94880%0.8SS**  -163.6165123-103.5169000109.6
357A31.5Very low36.5Very low85 Ų85146.4 Ų146.470%0.70279%0.794SS**  trans-150.6153.7-171.500000112.2
358L33.2Very low36.6Very low167 Ų167148.2 Ų148.287%0.87480%0.795SS**  trans-158.9135151.4-136.569.5000114.4
359E36Very low35.2Very low121 Ų121150 Ų15057%0.56580%0.804SS**  trans42.6117.2146.2-71.3-84.698.300123.6
360R34.4Very low35.6Very low184 Ų184150 Ų15069%0.69480%0.803SS**  62150.9125.4-70.4-171.7-159.217523.3122.4
361R34.5Very low36.6Very low193 Ų193150.2 Ų150.273%0.72880%0.802SS**  cis-158.1118.4-16171.9-175.6-71-142.12.8110.8
362R35.1Very low36.3Very low220 Ų220150.2 Ų150.283%0.8380%0.802SS**  trans16.3119.2148.9-59-169.6-175.3-171.51.7120.8
363Y33.4Very low36.5Very low225 Ų225146.4 Ų146.488%0.88280%0.803SS**  48.6135.4120.1-61.6-70.2000122.7
364S30.2Very low36.3Very low123 Ų123145.1 Ų145.186%0.8680%0.799SS**  trans-136.7157.7138.661.40000110
365A34.7Very low36.1Very low98 Ų98144.7 Ų144.781%0.8180%0.796SS**  trans-143.2156.3-179.600000111.2
366S39.2Very low35.9Very low113 Ų113139.4 Ų139.479%0.7979%0.79SS**  trans-82.6-174174.2-37.80000111
367P55.5Low36Very low110 Ų110136 Ų13671%0.71478%0.781SS**  cis-139.9173.9-4.137.2-16.7000117.3
368L34.2Very low36.1Very low159 Ų159137.7 Ų137.783%0.83279%0.788SS**  trans44.4125.9143-67.6166.6000123.3
369T30.4Very low37.1Very low141 Ų141135.6 Ų135.687%0.86579%0.785SS**  trans-160.9166.9138.9-13.50000112.3
370L33.8Very low37.1Very low159 Ų159141 Ų14183%0.83280%0.8SS**  trans-150.7169.4-176.6-79.7173000110.7
371P56.6Low37Very low115 Ų115140.9 Ų140.975%0.74781%0.807SS**  cis-111.7-92.4-23.329.2-8.1000110.9
372P51.4Low37Very low107 Ų107137 Ų13770%0.69581%0.809SS**  cis-126.7164.4-24.539.9-23.9000116.6
373A30.9Very low36.9Very low111 Ų111134.5 Ų134.592%0.91781%0.807SS**  trans61.2158.5156.600000120.8
374G29.5Very low37Very low67 Ų67131 Ų13169%0.69180%0.799SS**  trans164.2-29.5158.800000124
375S29Very low37.2Very low118 Ų118129.4 Ų129.483%0.82579%0.788SS**  trans59.6157.9168.470.40000122.9
376V30.3Very low37.3Very low130 Ų130132.2 Ų132.279%0.78879%0.789SS**  trans75.8103.5161.5-162.20000121.2
377S31.6Very low37.9Very low109 Ų109133 Ų13376%0.76279%0.79SS**  174.2155.2105.149.80000113.6
378S34.7Very low36.8Very low122 Ų122131.1 Ų131.185%0.85379%0.791SS**  trans-160.4144.3171.8-59.80000111.7
379P52.8Low36.9Very low122 Ų122128.2 Ų128.279%0.79279%0.791SS**  trans-145.1164135.337.8-23.2000112.1
380R37.1Very low37.1Very low234 Ų234128.4 Ų128.488%0.88379%0.791SS**  cis-164.9-173.6-16.3-121.3-173.3168.2-156.7-4107.2
381Q31.8Very low37.3Very low182 Ų182125.9 Ų125.985%0.8579%0.787SS**  trans76.9131168-54.5-172.616.700115.9
382S34.4Very low37.1Very low111 Ų111126 Ų12678%0.77679%0.788SS**  cis-151.3158.7-6.2-86.80000113.3
383Q33.5Very low36.4Very low168 Ų168128.8 Ų128.879%0.78580%0.796SS**  trans-61.6164.2173.5-78165.6-101.400113.6
384E35.6Very low36.5Very low152 Ų152129.8 Ų129.871%0.7180%0.796SS**  cis-158.5-162.54.9-127-174.468.500110.7
385S34.1Very low36.6Very low89 Ų89130.4 Ų130.462%0.62280%0.803SS**  cis-150.7-161.710.4-156.60000113
386L37.8Very low36.9Very low158 Ų158135.3 Ų135.383%0.82780%0.803SS**  trans-138.8-171.8-172-67.4178.6000110.8
387P50.9Low37.3Very low128 Ų128140.7 Ų140.783%0.83181%0.809SS**  cis-140.5-179.43.243.9-25000118.5
388G33.1Very low37.5Very low71 Ų71146.4 Ų146.473%0.73281%0.814SS**  trans113.1107.7164.500000114.4
389A35.7Very low37.6Very low99 Ų99145.8 Ų145.882%0.81881%0.81SS**  73.5141.557.500000113.4
390V35.3Very low37.5Very low145 Ų145146.1 Ų146.188%0.87981%0.812SS**  cis-143.9172.117.4-146.80000111.9
391S38Very low37.4Very low106 Ų106138.5 Ų138.574%0.74181%0.806SS**  trans-113.5158172.4-490000110.8
392P52.7Low37.7Very low118 Ų118138.2 Ų138.277%0.76681%0.81SS**  -158.3165.272.842.1-20.6000120.4
393L35.1Very low38.1Very low164 Ų164141.3 Ų141.386%0.85982%0.817SS**  trans6.6126.7146.6-59.5165.4000122.4
394S33Very low38.6Very low132 Ų132142 Ų14292%0.92382%0.82SS**  169.7141.6120.1-79.50000112.8
395G33.3Very low38.6Very low81 Ų81146.5 Ų146.584%0.83583%0.83SS**  trans179.340.8-175.500000121
396R35Very low39.2Very low220 Ų220153.6 Ų153.683%0.8384%0.844SS**  trans-12.4120.8168.3-164.3176.7-161.3-109.89.7118.3
397R37.3Very low39.2Very low244 Ų244149.5 Ų149.592%0.92184%0.839SS**  trans-54.2147.1170.5-74.1-175.9177.9-124.33.4112.9
398R35.9Very low39.1Very low228 Ų228149.2 Ų149.286%0.8684%0.84SS**  trans-135152.8161.8-79.3-175.4171.9169.2-1.1110.3
399S37.4Very low39.5Very low110 Ų110149.5 Ų149.577%0.76984%0.843SS**  trans-95.3151.4171.743.70000111.5
400P50.5Low40Very low128 Ų128151.6 Ų151.683%0.83185%0.846SS**  trans-83.8135.216533.1-30.8000110.7
401G35.2Very low40.4Very low74 Ų74152.4 Ų152.476%0.76385%0.845SS**  trans-94.7177.5172.800000112.8
402L38.3Very low40.5Very low177 Ų177155.6 Ų155.693%0.92785%0.853SS**  trans-58.9149.9177-63.494.1000112.2
403L42.1Very low39.9Very low176 Ų176155.3 Ų155.392%0.92184%0.844SS**  trans-119.1136162.5-159.574.1000109.3
404E43.7Very low40.1Very low181 Ų181155.2 Ų155.285%0.84684%0.844SS**  trans-81.8141.1-166.9-65.5172.7100.500113.9R406E404-R406 PolarHBondContact O-N 3.34Å
405R36.1Very low40.5Very low247 Ų247154.7 Ų154.793%0.93283%0.827SS**  trans-85.884179.2-172.1178.6-173.9-103.44.7110.8G407R405-G407 PolarHBondContact O-N 3.16Å
406R48Very low40.8Very low239 Ų239156.9 Ų156.990%0.90282%0.818SS**  trans-64.4114169-78-169.1174.2-163.3-1.8110.3E404E404-R406 PolarHBondContact O-N 3.34Å
407G37Very low40.8Very low71 Ų71152 Ų15273%0.73282%0.817SS**  trans-88.1143.2163.200000110.4R405R405-G407 PolarHBondContact O-N 3.16Å
408S48.9Very low41.1Very low123 Ų123148 Ų14886%0.8681%0.809SS**  trans-131.8103.6169.6-630000107.7
409G41Very low41Very low77 Ų77143.9 Ų143.979%0.79481%0.81SS**  trans-99.3135.4170.400000109.9
410T46.9Very low41.1Very low143 Ų143150.1 Ų150.188%0.87782%0.817SS**  trans-130.5117.9164.447.50000108.3
411L42.7Very low40.7Very low162 Ų162149.8 Ų149.885%0.84881%0.814SS**  trans-93.3141.7168.4-71.2169.5000108.8
412L39.6Very low41.2Very low173 Ų173149.7 Ų149.791%0.90681%0.813SS**  trans-144.7118.9150.2-113.6165.8000106.8
413L41.3Very low41.2Very low112 Ų112151.3 Ų151.359%0.58681%0.813SS**  trans-82.1152.1164.1-84.767.4000107.7
414D38.8Very low41.7Very low161 Ų161150.5 Ų150.586%0.86181%0.809SS**  trans-135.1162.3141.7-144.6-24.5000109.6
415H42.3Very low42.1Very low122 Ų122147.2 Ų147.257%0.56580%0.803SS**  trans-119135.8-139.7-85.3-91.1000117
416I38.5Very low42.8Very low127 Ų127140.7 Ų140.765%0.65179%0.793SS**  trans65.7108.9138.6-56.2165.8000119.1Q418I416-Q418 HydrophobicContact CG2-CG 3.91Å
417S36.1Very low42.7Very low116 Ų116137.5 Ų137.581%0.81179%0.793SS**  -161.292.5126.339.40000108.7
418Q42.5Very low42.9Very low161 Ų161141.7 Ų141.775%0.75280%0.798SS**  80.3132.488.6-76.6-168.116.600115.9I416I416-Q418 HydrophobicContact CG2-CG 3.91Å
419T33.2Very low42.8Very low142 Ų142142.3 Ų142.387%0.87180%0.797SS**  trans80.2129.5167.766.90000121.2
420R39.4Very low42.7Very low241 Ų241143.9 Ų143.991%0.90980%0.796SS**  trans-91.6176.8155.4-98.9-177.5170.3-157.90.2108.3
421P43.5Very low42.8Very low121 Ų121141.9 Ų141.979%0.78679%0.785SS**  cis-120.4-168.3-13.330.8-9.9000111.5
422G44.6Very low42.8Very low71 Ų71142.7 Ų142.773%0.73278%0.784SS**  trans-79.1148.8-173.500000116.2
423F39.6Very low43.3Very low212 Ų212139.7 Ų139.793%0.9378%0.775SS**  trans-145144.4156.7-115-87.1000108.6
424L52.2Low43.8Very low158 Ų158139.3 Ų139.383%0.82778%0.779SS**PPolyproline II helixtrans-85.9138.5170.5-79.4165.2000109.8
425P51.1Low43.8Very low113 Ų113139 Ų13973%0.73478%0.775SS**PPolyproline II helixtrans-72.2132.3169.629.9-32.6000110.2
426P50.5Low44.2Very low110 Ų110138.5 Ų138.571%0.71478%0.783SS**PPolyproline II helixtrans-77149.4174.532.2-34.4000111.3
427L46.5Very low43.9Very low172 Ų172139.4 Ų139.490%0.90179%0.79SS**PPolyproline II helixtrans-93.7128.8163.7-69.5178.2000109.3
428N41.2Very low43.9Very low158 Ų158141.9 Ų141.985%0.84579%0.792SS**PPolyproline II helixtrans-69.5132-170.9-73.2-21.3000112.9
429V47.5Very low43.6Very low137 Ų137144.7 Ų144.783%0.8380%0.796SS**PPolyproline II helixtrans-82.2132159.4178.90000108.1
430S38.3Very low43.9Very low110 Ų110143.7 Ų143.777%0.76979%0.791SS**PPolyproline II helixtrans-78.3153.9176.447.30000112.2
431P50.3Low43.8Very low100 Ų100140.2 Ų140.265%0.64979%0.785SS**  trans-117162.9-149.141.6-32.7000117.4
432H41.4Very low44.3Very low180 Ų180140.1 Ų140.183%0.83379%0.785SS**  trans95.8151154.7-63.4-49.7000121.3
433P50Low43.7Very low110 Ų110140.8 Ų140.871%0.71479%0.792SS**  trans-126.8-151.3-15342.1-20.4000111.6
434P52.8Low43.2Very low104 Ų104134.2 Ų134.268%0.67578%0.784SS**  cis-141.2161.9-342.9-23.5000119.7
435I38.9Very low42.3Very low153 Ų153139 Ų13979%0.78579%0.791SS**  29.4133.2124.7-52.3176.3000117.9
436P49.1Very low41.7Very low112 Ų112137.9 Ų137.973%0.72779%0.791SS**  -144.3169.950.728.1-2.8000121.1
437D32.3Very low41.4Very low147 Ų147138.2 Ų138.279%0.78679%0.793SS**  trans19141.5150.2-63.9-58000124.6
438I36.7Very low40.9Very low167 Ų167134.9 Ų134.986%0.85679%0.785SS**  -174.1146.4106.7-92.9159.6000111.6
439R36.3Very low40.7Very low221 Ų221135 Ų13583%0.83478%0.784SS**  trans-96.3149175.4-132.6177.9-174.1174.71.2109.8
440P39.3Very low40.3Very low120 Ų120134.7 Ų134.778%0.77979%0.785SS**  -152.5-178.192.539.7-21.4000116
441Q37.7Very low40.3Very low168 Ų168133.4 Ų133.479%0.78578%0.781SS**  trans-106.3-160.9162.8-65.7-169.5-2.600109.8
442P53.4Low40.5Very low120 Ų120133.3 Ų133.378%0.77978%0.781SS**  -129.8166.2-81.739-24.1000115.4
443G32.1Very low40.6Very low85 Ų85130.8 Ų130.888%0.87678%0.78SS**  trans106.7155.6149.400000117.7
444G30.2Very low39.9Very low74 Ų74133.5 Ų133.576%0.76378%0.783SS**  trans131.787.3162.100000118.7
445R33.4Very low39.2Very low258 Ų258134 Ų13497%0.97479%0.789SS**  trans63.6152.5152.5-68178.6166173-5.3120.3
446A38.3Very low38.9Very low90 Ų90130.8 Ų130.874%0.74479%0.794SS**  trans-103.3174.616800000110.7
447P44.9Very low38.4Very low116 Ų116130.2 Ų130.275%0.75380%0.798SS**  -149.6174.596.439.4-22.6000117.4
448S34.1Very low38.9Very low103 Ų103129.5 Ų129.572%0.7280%0.802SS**  trans59.3102.1151.5560000122.3
449L37Very low38.8Very low159 Ų159125.4 Ų125.483%0.83280%0.8SS**  28.4139.3112.1-76.6173.5000120
450P40.4Very low39.1Very low132 Ų132120 Ų12086%0.85780%0.797SS**  -138.1177.872.841.2-28000117
451A37.9Very low39.5Very low82 Ų82120.1 Ų120.168%0.67880%0.797SS**  trans-156.2-175.5175.900000108.9
452P54.7Low39.9Very low99 Ų99123.8 Ų123.864%0.64380%0.804SS**  -113.2-159.5-52.239.7-27000110.1
453P43.8Very low39.5Very low127 Ų127124.2 Ų124.283%0.82581%0.805SS**  trans-128.8167.313437-30.1000114.6
454H34Very low40.4Very low167 Ų167130.1 Ų130.177%0.77381%0.806SS**  trans-94.4151.4-156.6-71.2-108.5000116.8
455S37.7Very low41.3Very low115 Ų115138.2 Ų138.280%0.80481%0.814SS**  trans20.2132.7145.963.30000121.9
456G32.6Very low42.1Very low85 Ų85135.1 Ų135.188%0.87681%0.807SS**  trans-160.997.1162.800000114.2
457A39.6Very low42.3Very low99 Ų99139.2 Ų139.282%0.81882%0.816SS**  trans-144159.7168.800000107.6
458P43Very low42.5Very low133 Ų133139.9 Ų139.986%0.86482%0.817SS**  cis-130.1-17917.642.5-27.2000115
459G33.5Very low43.3Very low80 Ų80145.6 Ų145.683%0.82582%0.823SS**  trans156.7106164.400000114.5
460S43.8Very low44.1Very low109 Ų109149.6 Ų149.676%0.76283%0.827SS**  trans-101.8148.1170.379.10000111
461P47.7Very low44.5Very low122 Ų122151.2 Ų151.279%0.79282%0.823SS**  -129.8162.5118.236.5-30.5000114
462R46.3Very low45.3Very low244 Ų244150.8 Ų150.892%0.92182%0.815SS**  trans-86.1115.3-165.1-59157.989.2170.77.9112
463T44.8Very low45.3Very low130 Ų130153.5 Ų153.580%0.79882%0.821SS**  trans-100.8134.3167.355.50000111.7R465T463-R465 PolarHBondContact O-N 3.18Å; T463-R465 VanDerWaalsContact O-N 3.09Å
464K50.4Low45.7Very low208 Ų208154.1 Ų154.190%0.90481%0.813SS**  trans-79.890.5-171.6-64.6174.3-177.4173.40111.4K466K464-K466 PolarHBondContact O-N 3.38Å; K464-K466 VanDerWaalsContact O-N 3.1Å
465R48.7Very low46.7Very low244 Ų244149.8 Ų149.892%0.92180%0.798SS**  trans-65.6105.6169.2-83.9-176.6156.2173.5-6110.6T463T463-R465 PolarHBondContact O-N 3.18Å; T463-R465 VanDerWaalsContact O-N 3.09Å
466K50.3Low47.6Very low194 Ų194149.2 Ų149.284%0.84378%0.783SS**  trans-67.6129.1168-67.9179.8179.5177.20108.9K464 V468K464-K466 PolarHBondContact O-N 3.38Å; K464-K466 VanDerWaalsContact O-N 3.1Å; K466-V468 PolarHBondContact O-N 3.12Å; K466-V468 VanDerWaalsContact O-N 3.16Å
467L43Very low48.4Very low176 Ų176151.5 Ų151.592%0.92177%0.77SS**  trans-74105.6177.3-15780.7000109.3R469L467-R469 PolarHBondContact O-N 3.19Å
468V48.6Very low49.3Very low129 Ų129152.8 Ų152.878%0.78276%0.762SS**PPolyproline II helixtrans-70119.3175.5178.40000108.5K466 R470K466-V468 PolarHBondContact O-N 3.12Å; K466-V468 VanDerWaalsContact O-N 3.16Å; V468-R470 PolarHBondContact O-N 3.05Å
469R51.9Low49.9Very low223 Ų223155.1 Ų155.184%0.84275%0.754SS**PPolyproline II helixtrans-63.9121.5178.5-160.7174.4-166.5141.80.4108.4L467 H471L467-R469 PolarHBondContact O-N 3.19Å; R469-H471 PolarHBondContact O-CD2 3.06Å; R469-H471 PolarHBondContact O-N 3.28Å; R469-H471 VanDerWaalsContact O-N 3.1Å
470R54.2Low50.8Low244 Ų244158.2 Ų158.292%0.92175%0.751SS**PPolyproline II helixtrans-58116.7175.1-75.9-177170.7-177.4-4.1108.9V468V468-R470 PolarHBondContact O-N 3.05Å
471H48.9Very low51.3Low166 Ų166160.5 Ų160.577%0.76975%0.754SS**PPolyproline II helixtrans-73.2152.6171.4-88.8-107.3000110.3R469R469-H471 PolarHBondContact O-CD2 3.06Å; R469-H471 PolarHBondContact O-N 3.28Å; R469-H471 VanDerWaalsContact O-N 3.1Å
472S54.6Low51.6Low73 Ų73158.1 Ų158.151%0.5175%0.751SS.*PPolyproline II helixtrans-68.9138.6176.9-178.30000110.9Q474 T475S472-Q474 PolarHBondContact O-N 3.04Å; S472-Q474 WeakPolarHBondContact OG-CB 3.45Å; S472-Q474 PolarHBondContact OG-N 3.15Å; S472-T475 PolarHBondContact O-N 3Å; S472-T475 PolarHBondContact O-OG1 3.03Å; S472-T475 VanDerWaalsContact O-OG1 3.13Å
473M54.4Low51.9Low155 Ų155149.2 Ų149.276%0.76474%0.736SS**G310 helixtrans-54.3-24172.8-72.1-69.1-69.200113T475 E476M473-T475 PolarHBondContact O-N 3.27Å; M473-E476 PolarHBondContact O-N 3.21Å
474Q52.7Low51.9Low140 Ų140153.1 Ų153.165%0.65474%0.742SS**G310 helixtrans-66-17.8-175.3-157.3171.213.500114.2S472S472-Q474 PolarHBondContact O-N 3.04Å; S472-Q474 WeakPolarHBondContact OG-CB 3.45Å; S472-Q474 PolarHBondContact OG-N 3.15Å
475T54.7Low51.7Low76 Ų76152.4 Ų152.447%0.46674%0.742SS.*G310 helixtrans-88.3-18.5178490000114.8S472 M473S472-T475 PolarHBondContact O-N 3Å; S472-T475 PolarHBondContact O-OG1 3.03Å; S472-T475 VanDerWaalsContact O-OG1 3.13Å; M473-T475 PolarHBondContact O-N 3.27Å
476E55.5Low51.4Low104 Ų104146.5 Ų146.549%0.48674%0.738SS.*Hα-helixtrans-81.4-38.7178.6-73.8-77.795.800111.6M473 I478 R479 L480M473-E476 PolarHBondContact O-N 3.21Å; E476-I478 PolarHBondContact O-N 3.38Å; E476-I478 VanDerWaalsContact O-N 3.17Å; E476-R479 PolarHBondContact O-N 3.24Å; E476-R479 IonicContact OE1-CZ 3.6Å; E476-R479 IonicContact OE1-NH1 2.66Å; E476-R479 PolarHBondContact OE1-NH1 3.24Å; E476-L480 PolarHBondContact O-N 3.09Å
477Q50.3Low50.9Low132 Ų132145.8 Ų145.862%0.61774%0.742SS**Hα-helixtrans-59.2-29.9179.7-67-179-54.400113.2
478I58.5Low50.7Low126 Ų126140.9 Ų140.965%0.64674%0.735SS**Hα-helixtrans-72.5-31.5177.8-62.2175.3000111.6E476E476-I478 PolarHBondContact O-N 3.38Å; E476-I478 VanDerWaalsContact O-N 3.17Å
479R56Low50Low182 Ų182138.5 Ų138.569%0.68774%0.736SS**Hα-helixtrans-69.5-39175.7-74.6-174.7175.5131.7-3.1112.4E476 L481 G482E476-R479 PolarHBondContact O-N 3.24Å; E476-R479 IonicContact OE1-CZ 3.6Å; E476-R479 IonicContact OE1-NH1 2.66Å; E476-R479 PolarHBondContact OE1-NH1 3.24Å; R479-L481 PolarHBondContact O-N 3.44Å; R479-G482 PolarHBondContact O-N 3.19Å; R479-G482 VanDerWaalsContact O-N 3.08Å
480L51Low50.2Low145 Ų145134.5 Ų134.576%0.75974%0.739SS**Hα-helixtrans-66.8-16.9-177.8-64.9174000113.2E476E476-L480 PolarHBondContact O-N 3.09Å
481L54.1Low49.5Very low158 Ų158126.5 Ų126.583%0.82773%0.732SS**THydrogen-bonded Turntrans-87.6-8.1174.3-72.5166.4000114.2R479R479-L481 PolarHBondContact O-N 3.44Å
482G53.7Low49.2Very low72 Ų72128 Ų12874%0.74274%0.739SS**SBendtrans-972.1178.300000115.1R479R479-G482 PolarHBondContact O-N 3.19Å; R479-G482 VanDerWaalsContact O-N 3.08Å
483G52.9Low49.4Very low57 Ų57130.4 Ų130.459%0.58875%0.753SS**  trans-104.212.8-159.200000117.9
484F45.3Very low49.3Very low211 Ų211126.7 Ų126.793%0.92576%0.755SS**  trans-132.983.4-178.6-98.1-89.6000112.8
485Q45.7Very low48.9Very low193 Ų193135.7 Ų135.790%0.90278%0.783SS**SBendtrans-126.4111.3154.7-88.7-166.974.100110.2
486S43.4Very low48.6Very low120 Ų120138.7 Ų138.784%0.83980%0.799SS**  trans39.697157.6-153.80000118.6
487L39.1Very low48.3Very low179 Ų179140.5 Ų140.594%0.93782%0.815SS**  trans-104.8110.9154.2-99.4171.5000109.8
488G38.4Very low48.1Very low74 Ų74140.9 Ų140.976%0.76383%0.826SS**  trans61.7106.5148.900000119.6
489G34Very low47.5Very low78 Ų78141.8 Ų141.880%0.80484%0.837SS**  trans-127.4116.7154.300000110
490P56.7Low47Very low140 Ų140139.3 Ų139.391%0.90985%0.846SS**  trans-86.7150.817834-33.5000112.4
491G38.9Very low46.7Very low76 Ų76138.9 Ų138.978%0.78485%0.852SS**  trans-153.7142.9173.100000110.7
492E42.2Very low46.2Very low196 Ų196137.6 Ų137.692%0.91685%0.854SS**  trans-87.3165.4-164.9-85.1-160.2127.800116
493P60.5Low45.6Very low124 Ų124142.6 Ų142.681%0.80586%0.863SS**  trans-101.9156.1-174.838.9-34.3000115.4
494G51.2Low45Very low78 Ų78149.8 Ų149.880%0.80489%0.886SS**  trans97.2144.2166.200000114.3
495R44.8Very low45Very low328 Ų328144.2 Ų144.2100%1.23888%0.882SS**  cis-128.801.8-79.5-177.5169.6-170.5-2.7111

Retrieved 495 of 495 residues in 277.5 ms (Link to these results)

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