X6RAJ1_HUMAN Loading...

A-kinase anchoring protein 17A

AlphaFold DB , UniProt , Accession X6RAJ1, Species HUMAN (Homo sapiens, Human), Gene AKAP17A, Length 446 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
1M45.6Very low78.5Confident225 Ų22581.6 Ų81.6100%1.10848%0.481SS*.  0125.20-71.2-152.2-10700109.1A3M1-A3 PolarHBondContact O-N 3.16Å
2A53.6Low79.4Confident31 Ų3179.1 Ų79.126%0.25646%0.461SS..  trans-89.994.9176.400000108.7N252A2-N252 HydrophobicContact CB-CB 4.34Å; A2-N252 VanDerWaalsContact CB-O 3.27Å; A2-N252 WeakPolarHBondContact CB-O 3.33Å
3A70.8Confident80.4Confident80 Ų8074.8 Ų74.866%0.66144%0.44SS*.  trans-67.3142.8171.500000109.8M1M1-A3 PolarHBondContact O-N 3.16Å
4A83.2Confident81.4Confident57 Ų5775.4 Ų75.447%0.47145%0.445SS..  trans-67.1136.8171.200000109.7W158 V249 A250A4-W158 HydrophobicContact CB-CZ2 4.09Å; A4-V249 HydrophobicContact CB-CB 4.35Å; A4-A250 CarbonylContact C-O 3.5Å; A4-A250 WeakPolarHBondContact CA-O 3.46Å
5T87.2Confident82.3Confident48 Ų4877.5 Ų77.529%0.29445%0.449SS..EExtended strand (participates in β ladder)trans-112.6140.5-179.552.10000109.2V249 A250T5-V249 CarbonylContact O-C 3.59Å; T5-V249 WeakPolarHBondContact O-CA 3.38Å; T5-A250 PolarHBondContact N-O 2.93Å; T5-A250 PolarHBondContact O-N 3.43Å; T5-A250 PolarHBondContact OG1-O 3.13Å
6I88.3Confident83.2Confident116 Ų11673 Ų7360%0.59542%0.422SS*.EExtended strand (participates in β ladder)trans-67.2137.2175.6-61.3172.9000108.6V249I6-V249 HydrophobicContact CG1-CG1 4.38Å
7V87.6Confident83.9Confident13 Ų1369.6 Ų69.68%0.07940%0.404CS..EExtended strand (participates in β ladder)trans-109.8118.5177.1179.40000108.1D9 T10 K25 M240 A248 A250V7-D9 WeakPolarHBondContact CG1-O 3.44Å; V7-T10 HydrophobicContact CG1-CG2 4.03Å; V7-K25 HydrophobicContact CG1-CD 3.82Å; V7-M240 HydrophobicContact CB-SD 4.31Å; V7-M240 HydrophobicContact CG1-SD 4.01Å; V7-M240 HydrophobicContact CG2-CG 4.35Å; V7-M240 HydrophobicContact CG2-SD 4.25Å; V7-A248 HydrophobicContact CB-CB 3.99Å; V7-A248 PolarHBondContact N-O 3.03Å; V7-A250 HydrophobicContact CG2-CB 3.47Å; V7-A250 VanDerWaalsContact CG2-CB 3.47Å
8H85.8Confident84.3Confident149 Ų14969.2 Ų69.269%0.6940%0.403SS*.SBendtrans-86.5-39.4178.1-56.8-71.1000111.9E84H8-E84 WeakPolarHBondContact CB-OE1 3.46Å; H8-E84 IonicContact CD2-OE1 3.8Å; H8-E84 PolarHBondContact CD2-OE1 3.45Å; H8-E84 VanDerWaalsContact CD2-OE1 3.3Å; H8-E84 IonicContact CG-OE1 3.68Å
9D85.3Confident84.8Confident46 Ų4669.6 Ų69.625%0.24642%0.416CS..  trans-106.7121.6174.7-169.9-1.8000112.6V7 S11 K25 N85V7-D9 WeakPolarHBondContact CG1-O 3.44Å; D9-S11 VanDerWaalsContact CG-OG 3.22Å; D9-S11 WeakPolarHBondContact OD1-CB 3.48Å; D9-S11 PolarHBondContact OD1-N 3.29Å; D9-S11 PolarHBondContact OD1-OG 3.29Å; D9-S11 PolarHBondContact OD2-OG 3.03Å; D9-K25 WeakPolarHBondContact O-CE 3.46Å; D9-K25 PolarHBondContact O-NZ 3.31Å; D9-N85 PolarHBondContact OD2-ND2 2.99Å; D9-N85 PolarHBondContact OD2-OD1 3.43Å
10T88.1Confident85.1Confident48 Ų4867.5 Ų67.529%0.29440%0.4SS..  trans-107.88.917966.80000114V7 E12 A13 M240 A248V7-T10 HydrophobicContact CG1-CG2 4.03Å; T10-E12 PolarHBondContact O-N 3.5Å; T10-A13 WeakPolarHBondContact O-CB 3.48Å; T10-A13 PolarHBondContact O-N 3.49Å; T10-A13 VanDerWaalsContact O-N 3.14Å; T10-M240 HydrophobicContact CG2-CE 4.2Å; T10-M240 HydrophobicContact CG2-SD 3.98Å; T10-A248 HydrophobicContact CG2-CB 3.51Å
11S87.8Confident85.5Confident85 Ų8564.7 Ų64.759%0.59439%0.385SS*.THydrogen-bonded Turntrans-58.6-42.3-175.658.30000114.1D9 A13D9-S11 VanDerWaalsContact CG-OG 3.22Å; D9-S11 WeakPolarHBondContact OD1-CB 3.48Å; D9-S11 PolarHBondContact OD1-N 3.29Å; D9-S11 PolarHBondContact OD1-OG 3.29Å; D9-S11 PolarHBondContact OD2-OG 3.03Å; S11-A13 VanDerWaalsContact C-N 3.26Å; S11-A13 PolarHBondContact O-N 2.7Å
12E89.8Confident87.9Confident51 Ų5154 Ų5424%0.23833%0.332CS..THydrogen-bonded Turntrans-83.47.7179.6-62.4-175171.200113.8T10 P26 N85 K86T10-E12 PolarHBondContact O-N 3.5Å; E12-P26 HydrophobicContact CB-CG 4.29Å; E12-P26 WeakPolarHBondContact O-CD 3.42Å; E12-N85 WeakPolarHBondContact OE1-CB 3.49Å; E12-K86 PolarHBondContact OE1-N 2.97Å; E12-K86 PolarHBondContact OE2-N 3.13Å; E12-K86 VanDerWaalsContact OE2-N 3.13Å
13A92.3Very high90Very high24 Ų2454.1 Ų54.120%0.19833%0.326CS..PPolyproline II helixtrans-76.5131.2-178.500000112.2T10 S11 L24 M240T10-A13 WeakPolarHBondContact O-CB 3.48Å; T10-A13 PolarHBondContact O-N 3.49Å; T10-A13 VanDerWaalsContact O-N 3.14Å; S11-A13 VanDerWaalsContact C-N 3.26Å; S11-A13 PolarHBondContact O-N 2.7Å; A13-L24 CarbonylContact C-O 3.53Å; A13-L24 WeakPolarHBondContact CA-O 3.49Å; A13-M240 HydrophobicContact CB-CE 3.29Å; A13-M240 HydrophobicContact CB-SD 4.31Å
14V95Very high91.2Very high82 Ų8250.6 Ų50.650%0.49730%0.296SS..EExtended strand (participates in β ladder)trans-100.7136175.1-177.40000109L16 Y23 L24 M237V14-L16 PolarHBondContact O-N 3.46Å; V14-Y23 CarbonylContact O-C 3.55Å; V14-Y23 VanDerWaalsContact O-CA 3.31Å; V14-Y23 WeakPolarHBondContact O-CA 3.32Å; V14-Y23 WeakPolarHBondContact O-CB 3.24Å; V14-L24 PolarHBondContact N-O 2.96Å; V14-L24 PolarHBondContact O-N 3.04Å; V14-M237 HydrophobicContact CB-CE 4.39Å; V14-M237 HydrophobicContact CG2-CE 4.08Å
15E94.9Very high91.7Very high108 Ų10848 Ų4851%0.50528%0.275SS..EExtended strand (participates in β ladder)trans-64.2131.5179.8-54.6-168158.900111.1P18 Y23 K180E15-P18 HydrophobicContact CB-CG 4.02Å; E15-P18 HydrophobicContact CG-CG 4.27Å; E15-Y23 HydrophobicContact CB-CD1 4.35Å; E15-Y23 HydrophobicContact CB-CE1 4.39Å; E15-Y23 HydrophobicContact CG-CD1 4.11Å; E15-Y23 HydrophobicContact CG-CE1 3.87Å; E15-K180 PolarHBondContact O-NZ 3.48Å
16L95.9Very high91.9Very high5 Ų547 Ų473%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-104.8-61.3169.2-178.762.5000109.3V14 L22 L24 V177 K180 F181 L239V14-L16 PolarHBondContact O-N 3.46Å; L16-L22 HydrophobicContact CB-CB 4.46Å; L16-L22 WeakPolarHBondContact CB-O 3.43Å; L16-L22 HydrophobicContact CD2-CB 4.48Å; L16-L22 PolarHBondContact N-O 3.47Å; L16-L22 VanDerWaalsContact N-O 3.09Å; L16-L24 HydrophobicContact CB-CG 4.21Å; L16-L24 HydrophobicContact CD1-CD1 4.27Å; L16-L24 HydrophobicContact CD1-CG 4.49Å; L16-L24 HydrophobicContact CD2-CD2 4.19Å; L16-L24 HydrophobicContact CD2-CG 4.38Å; L16-V177 HydrophobicContact CD2-CG1 3.61Å; L16-V177 HydrophobicContact CG-CG1 3.85Å; L16-K180 WeakPolarHBondContact O-CD 3.46Å; L16-F181 HydrophobicContact CD1-CE1 4.49Å; L16-F181 HydrophobicContact CD1-CE2 3.61Å; L16-F181 HydrophobicContact CD1-CZ 3.42Å; L16-F181 VanDerWaalsContact CD1-CZ 3.42Å; L16-L239 HydrophobicContact CD2-CD1 3.66Å
17C95.2Very high91.9Very high16 Ų1642.8 Ų42.811%0.10825%0.247CC..EExtended strand (participates in β ladder)trans-148.491.1175.1-163.40000109.9A19 Y20 G21 L22 V177C17-A19 PolarHBondContact O-N 3.43Å; C17-Y20 PolarHBondContact O-N 3.49Å; C17-Y20 VanDerWaalsContact O-N 3.1Å; C17-G21 PolarHBondContact O-N 2.97Å; C17-L22 CarbonylContact C-O 3.55Å; C17-L22 HydrophobicContact CB-CB 4.39Å; C17-L22 PolarHBondContact N-O 3.09Å; C17-L22 PolarHBondContact O-N 3.25Å; C17-V177 HydrophobicContact CB-CB 4.31Å; C17-V177 HydrophobicContact CB-CG1 4.32Å; C17-V177 HydrophobicContact CB-CG2 3.9Å
18P92Very high91.8Very high61 Ų6142.4 Ų42.440%0.39625%0.245SC..G310 helixtrans-59-31.7-177-27.336000114.1E15 Y20 G21E15-P18 HydrophobicContact CB-CG 4.02Å; E15-P18 HydrophobicContact CG-CG 4.27Å; P18-Y20 PolarHBondContact O-N 3.33Å; P18-G21 PolarHBondContact O-N 3.08Å
19A92.2Very high92Very high77 Ų7736.5 Ų36.564%0.63622%0.218SC*.G310 helixtrans-58-32.217700000112.9C17 K162C17-A19 PolarHBondContact O-N 3.43Å; A19-K162 PolarHBondContact O-NZ 2.92Å
20Y92.4Very high92.2Very high28 Ų2834.3 Ų34.311%0.1121%0.206CC..G310 helixtrans-101.49.4175.4-66.8-81.8000112.8C17 P18 L22 V173 K176 V177 Y241C17-Y20 PolarHBondContact O-N 3.49Å; C17-Y20 VanDerWaalsContact O-N 3.1Å; P18-Y20 PolarHBondContact O-N 3.33Å; Y20-L22 PolarHBondContact O-N 3.02Å; Y20-V173 HydrophobicContact CD1-CG1 3.65Å; Y20-V173 HydrophobicContact CD1-CG2 4.41Å; Y20-V173 HydrophobicContact CD2-CG1 4.35Å; Y20-V173 HydrophobicContact CE1-CB 4.19Å; Y20-V173 HydrophobicContact CE1-CG1 3.63Å; Y20-V173 HydrophobicContact CE1-CG2 3.62Å; Y20-V173 HydrophobicContact CE2-CG1 4.33Å; Y20-V173 HydrophobicContact CG-CG1 4.03Å; Y20-K176 HydrophobicContact CE2-CB 4Å; Y20-K176 HydrophobicContact CE2-CD 3.93Å; Y20-K176 VanDerWaalsContact OH-CD 3.28Å; Y20-K176 WeakPolarHBondContact OH-CD 3.34Å; Y20-V177 HydrophobicContact CD2-CG2 4.2Å; Y20-Y241 VanDerWaalsContact O-CE2 3.24Å; Y20-Y241 WeakPolarHBondContact O-CE2 3.43Å
21G93.6Very high92.5Very high8 Ų833.4 Ų33.48%0.08220%0.2CC..THydrogen-bonded Turntrans66.720.5-178.400000113.7C17 P18 Y23 Y241 K242C17-G21 PolarHBondContact O-N 2.97Å; P18-G21 PolarHBondContact O-N 3.08Å; G21-Y23 VanDerWaalsContact O-CD2 3.26Å; G21-Y23 WeakPolarHBondContact O-CD2 3.41Å; G21-Y23 WeakPolarHBondContact O-CE2 3.27Å; G21-Y241 CarbonylContact O-C 3.5Å; G21-Y241 VanDerWaalsContact O-CA 3.29Å; G21-Y241 WeakPolarHBondContact O-CA 3.33Å; G21-K242 PolarHBondContact O-N 3.45Å
22L96.1Very high92.8Very high0 Ų029.3 Ų29.30%017%0.172CC..EExtended strand (participates in β ladder)trans-98.5134.2-174.1-70.1174.5000112.6L16 C17 Y20 W158 F159 V177 L239 Y241L16-L22 HydrophobicContact CB-CB 4.46Å; L16-L22 WeakPolarHBondContact CB-O 3.43Å; L16-L22 HydrophobicContact CD2-CB 4.48Å; L16-L22 PolarHBondContact N-O 3.47Å; L16-L22 VanDerWaalsContact N-O 3.09Å; C17-L22 CarbonylContact C-O 3.55Å; C17-L22 HydrophobicContact CB-CB 4.39Å; C17-L22 PolarHBondContact N-O 3.09Å; C17-L22 PolarHBondContact O-N 3.25Å; Y20-L22 PolarHBondContact O-N 3.02Å; L22-W158 HydrophobicContact CD2-CB 4.16Å; L22-W158 HydrophobicContact CD2-CE3 3.99Å; L22-F159 HydrophobicContact CD1-CE1 4.04Å; L22-F159 HydrophobicContact CD1-CE2 4.49Å; L22-F159 HydrophobicContact CD1-CZ 4.01Å; L22-V177 HydrophobicContact CD1-CB 4.44Å; L22-V177 HydrophobicContact CD1-CG1 3.94Å; L22-V177 HydrophobicContact CD1-CG2 3.56Å; L22-L239 HydrophobicContact CD2-CD1 4.16Å; L22-L239 HydrophobicContact CD2-CD2 4.24Å; L22-L239 HydrophobicContact CD2-CG 4.2Å; L22-Y241 HydrophobicContact CD2-CD2 4.17Å
23Y96.6Very high93Very high34 Ų3428 Ų2813%0.13317%0.168CC..EExtended strand (participates in β ladder)trans-141.5161.6-176.8-59.9-99.3000109.6V14 E15 G21 M240 K242V14-Y23 CarbonylContact O-C 3.55Å; V14-Y23 VanDerWaalsContact O-CA 3.31Å; V14-Y23 WeakPolarHBondContact O-CA 3.32Å; V14-Y23 WeakPolarHBondContact O-CB 3.24Å; E15-Y23 HydrophobicContact CB-CD1 4.35Å; E15-Y23 HydrophobicContact CB-CE1 4.39Å; E15-Y23 HydrophobicContact CG-CD1 4.11Å; E15-Y23 HydrophobicContact CG-CE1 3.87Å; G21-Y23 VanDerWaalsContact O-CD2 3.26Å; G21-Y23 WeakPolarHBondContact O-CD2 3.41Å; G21-Y23 WeakPolarHBondContact O-CE2 3.27Å; Y23-M240 HydrophobicContact CD2-CE 4.26Å; Y23-M240 HydrophobicContact CG-CE 3.97Å; Y23-M240 PolarHBondContact N-O 3.38Å; Y23-M240 PolarHBondContact O-N 3.12Å; Y23-K242 HydrophobicContact CD2-CB 4.35Å; Y23-K242 HydrophobicContact CD2-CD 3.99Å; Y23-K242 HydrophobicContact CD2-CG 3.81Å; Y23-K242 HydrophobicContact CE1-CD 4.48Å; Y23-K242 HydrophobicContact CE2-CB 3.93Å; Y23-K242 HydrophobicContact CE2-CD 3.6Å; Y23-K242 HydrophobicContact CE2-CG 3.7Å
24L95.8Very high93.1Very high6 Ų626.9 Ų26.93%0.03116%0.159CC..EExtended strand (participates in β ladder)trans-109.4128.1171.2-65.4176.3000108.7A13 V14 L16 F181 L234 M237 K238 L239A13-L24 CarbonylContact C-O 3.53Å; A13-L24 WeakPolarHBondContact CA-O 3.49Å; V14-L24 PolarHBondContact N-O 2.96Å; V14-L24 PolarHBondContact O-N 3.04Å; L16-L24 HydrophobicContact CB-CG 4.21Å; L16-L24 HydrophobicContact CD1-CD1 4.27Å; L16-L24 HydrophobicContact CD1-CG 4.49Å; L16-L24 HydrophobicContact CD2-CD2 4.19Å; L16-L24 HydrophobicContact CD2-CG 4.38Å; L24-F181 HydrophobicContact CD1-CZ 4.46Å; L24-L234 HydrophobicContact CD1-CD2 4.06Å; L24-L234 HydrophobicContact CD2-CD2 3.87Å; L24-M237 HydrophobicContact CB-CB 4.09Å; L24-M237 HydrophobicContact CB-CE 3.65Å; L24-M237 HydrophobicContact CB-CG 4.27Å; L24-M237 HydrophobicContact CD2-CB 4.27Å; L24-K238 WeakPolarHBondContact CA-O 3.35Å; L24-L239 HydrophobicContact CD2-CD1 4.18Å
25K93.4Very high93Very high3 Ų325.2 Ų25.21%0.01315%0.153CC..EExtended strand (participates in β ladder)trans-113.1135.2172.7-175.3172.7167.880.10109.3V7 D9 I27 E84 M237 K238 M240V7-K25 HydrophobicContact CG1-CD 3.82Å; D9-K25 WeakPolarHBondContact O-CE 3.46Å; D9-K25 PolarHBondContact O-NZ 3.31Å; K25-I27 PolarHBondContact O-N 2.97Å; K25-E84 WeakPolarHBondContact CE-O 3.49Å; K25-E84 PolarHBondContact NZ-O 3Å; K25-M237 CarbonylContact O-C 3.51Å; K25-M237 WeakPolarHBondContact O-CA 3.49Å; K25-K238 HydrophobicContact CB-CG 4.19Å; K25-K238 PolarHBondContact N-O 3.09Å; K25-K238 VanDerWaalsContact O-CG 3.29Å; K25-K238 WeakPolarHBondContact O-CG 3.44Å; K25-K238 PolarHBondContact O-N 3.32Å; K25-M240 HydrophobicContact CB-CB 4.41Å; K25-M240 HydrophobicContact CB-SD 4.43Å; K25-M240 HydrophobicContact CD-SD 4.29Å
26P91.4Very high92.6Very high28 Ų2821.5 Ų21.518%0.18214%0.137CC..EExtended strand (participates in β ladder)trans-54.5138.9173.4-26.534.8000112.4E12 M237E12-P26 HydrophobicContact CB-CG 4.29Å; E12-P26 WeakPolarHBondContact O-CD 3.42Å; P26-M237 WeakPolarHBondContact CA-SD 3.36Å; P26-M237 HydrophobicContact CB-SD 4.05Å; P26-M237 HydrophobicContact CG-CE 3.94Å; P26-M237 HydrophobicContact CG-SD 3.82Å
27I88.4Confident92Very high26 Ų2622.2 Ų22.213%0.13314%0.142CC..  trans-88.5110.6171-63.3170.1000107.4K25 K29 I119 G236 M237 K238K25-I27 PolarHBondContact O-N 2.97Å; I27-K29 HydrophobicContact CG2-CB 4.42Å; I27-K29 HydrophobicContact CG2-CD 3.58Å; I27-K29 HydrophobicContact CG2-CG 3.62Å; I27-I119 HydrophobicContact CB-CD1 3.59Å; I27-I119 HydrophobicContact CD1-CD1 4.41Å; I27-I119 HydrophobicContact CG2-CD1 3.65Å; I27-I119 HydrophobicContact CG2-CG1 4.45Å; I27-G236 WeakPolarHBondContact CB-O 3.4Å; I27-G236 PolarHBondContact N-O 3.21Å; I27-M237 VanDerWaalsContact CD1-C 3.48Å; I27-M237 WeakPolarHBondContact CD1-O 3.34Å; I27-K238 HydrophobicContact CD1-CB 3.98Å; I27-K238 HydrophobicContact CG1-CB 3.67Å; I27-K238 HydrophobicContact CG1-CD 4.28Å; I27-K238 HydrophobicContact CG1-CG 3.87Å
28T86.9Confident91.1Very high5 Ų529.3 Ų29.33%0.03117%0.174CC..  trans-109.486.6-178.532.60000109.3E82 V83 K86 V89T28-E82 WeakPolarHBondContact O-CA 3.5Å; T28-V83 PolarHBondContact O-N 3.35Å; T28-V83 PolarHBondContact OG1-O 3.24Å; T28-K86 VanDerWaalsContact CG2-CA 3.47Å; T28-K86 HydrophobicContact CG2-CB 3.67Å; T28-K86 HydrophobicContact CG2-CG 4.11Å; T28-V89 HydrophobicContact CG2-CG2 4.12Å
29K88.4Confident90Very high26 Ų2629.7 Ų29.711%0.11317%0.172CC..EExtended strand (participates in β ladder)trans-109.3149.1-178-74.2177.8177-161.90111.8I27 E80 G81 E82 F117I27-K29 HydrophobicContact CG2-CB 4.42Å; I27-K29 HydrophobicContact CG2-CD 3.58Å; I27-K29 HydrophobicContact CG2-CG 3.62Å; K29-E80 WeakPolarHBondContact CD-OE1 3.39Å; K29-E80 WeakPolarHBondContact CE-OE1 3.4Å; K29-E80 IonicContact NZ-OE1 3.81Å; K29-E80 PolarHBondContact NZ-OE1 3.3Å; K29-G81 CarbonylContact C-O 3.47Å; K29-G81 WeakPolarHBondContact CA-O 3.49Å; K29-E82 HydrophobicContact CG-CB 4.32Å; K29-E82 HydrophobicContact CG-CG 4.17Å; K29-F117 HydrophobicContact CB-CB 3.68Å; K29-F117 HydrophobicContact CB-CD1 4.04Å; K29-F117 HydrophobicContact CB-CG 4.15Å; K29-F117 HydrophobicContact CD-CD1 4.2Å; K29-F117 WeakPolarHBondContact O-CB 3.42Å; K29-F117 PolarHBondContact O-N 3.41Å
30M90.9Very high88.6Confident0 Ų035.7 Ų35.70%018%0.184CC..EExtended strand (participates in β ladder)trans-134.3150171.865.9-175.463.300110.9I32 F64 G81 V83 V89 F92 L96 A115M30-I32 HydrophobicContact CG-CD1 4.25Å; M30-I32 HydrophobicContact CG-CG1 4.17Å; M30-I32 HydrophobicContact SD-CD1 4.09Å; M30-I32 HydrophobicContact SD-CG1 4.26Å; M30-F64 HydrophobicContact SD-CE1 4.04Å; M30-G81 PolarHBondContact N-O 3.31Å; M30-G81 PolarHBondContact O-N 3.32Å; M30-V83 HydrophobicContact CE-CG2 3.44Å; M30-V83 VanDerWaalsContact CE-CG2 3.44Å; M30-V83 HydrophobicContact SD-CG2 4.49Å; M30-V89 HydrophobicContact CE-CG1 4.22Å; M30-F92 HydrophobicContact CE-CB 3.4Å; M30-F92 HydrophobicContact CE-CD1 3.95Å; M30-F92 HydrophobicContact CE-CG 3.79Å; M30-F92 HydrophobicContact SD-CB 3.85Å; M30-F92 HydrophobicContact SD-CD1 3.95Å; M30-F92 HydrophobicContact SD-CG 4.26Å; M30-L96 HydrophobicContact SD-CD1 4.23Å; M30-A115 CarbonylContact C-O 3.5Å; M30-A115 WeakPolarHBondContact CA-O 3.45Å; M30-A115 WeakPolarHBondContact CB-O 3.49Å
31T93.3Very high87.3Confident28 Ų2839.8 Ų39.817%0.17220%0.204CC..EExtended strand (participates in β ladder)trans-101127.3169.8-62.50000109.2R78 F79 A114 A115 F117T31-R78 HydrophobicContact CG2-CG 3.54Å; T31-F79 WeakPolarHBondContact CA-O 3.39Å; T31-A114 CarbonylContact O-C 3.57Å; T31-A114 WeakPolarHBondContact O-CA 3.3Å; T31-A115 PolarHBondContact N-O 2.98Å; T31-A115 PolarHBondContact O-N 3.32Å; T31-F117 WeakPolarHBondContact OG1-CD2 3.39Å
32I94.4Very high85.7Confident0 Ų045.8 Ų45.80%024%0.241CC..EExtended strand (participates in β ladder)trans-117.4116176-55.2159.5000107.3M30 V34 L55 F64 L67 R78 F79 L96 V112 R113 A114M30-I32 HydrophobicContact CG-CD1 4.25Å; M30-I32 HydrophobicContact CG-CG1 4.17Å; M30-I32 HydrophobicContact SD-CD1 4.09Å; M30-I32 HydrophobicContact SD-CG1 4.26Å; I32-V34 HydrophobicContact CG2-CG2 4.49Å; I32-L55 HydrophobicContact CG2-CD1 3.99Å; I32-L55 HydrophobicContact CG2-CD2 3.79Å; I32-F64 HydrophobicContact CD1-CE1 3.79Å; I32-F64 HydrophobicContact CD1-CZ 3.75Å; I32-L67 HydrophobicContact CD1-CD1 4.22Å; I32-R78 CarbonylContact O-C 3.35Å; I32-R78 WeakPolarHBondContact O-CA 3.44Å; I32-F79 HydrophobicContact CB-CB 4.27Å; I32-F79 PolarHBondContact N-O 2.98Å; I32-F79 PolarHBondContact O-N 3.49Å; I32-L96 HydrophobicContact CD1-CD1 3.73Å; I32-L96 HydrophobicContact CG1-CD1 4.22Å; I32-V112 HydrophobicContact CG2-CG1 3.67Å; I32-R113 CarbonylContact C-O 3.43Å; I32-R113 WeakPolarHBondContact CA-O 3.46Å; I32-A114 HydrophobicContact CG1-CB 4.18Å
33S94.8Very high84.4Confident24 Ų2449.9 Ų49.917%0.16828%0.283CS..EExtended strand (participates in β ladder)trans-108.3124175.7-59.30000109.7I77 R78 R113S33-I77 CarbonylContact C-O 3.5Å; S33-I77 WeakPolarHBondContact CA-O 3.48Å; S33-R78 PolarHBondContact OG-NE 3.46Å; S33-R113 PolarHBondContact N-O 2.95Å; S33-R113 PolarHBondContact O-N 3.31Å
34V94.4Very high83.3Confident0 Ų053.3 Ų53.30%030%0.299CS..EExtended strand (participates in β ladder)trans-106.4116.5176-176.20000107.9I32 L36 V51 L55 F76 I77 F79 L110 K111 V112I32-V34 HydrophobicContact CG2-CG2 4.49Å; V34-L36 PolarHBondContact O-N 2.91Å; V34-V51 HydrophobicContact CB-CG1 4.07Å; V34-V51 HydrophobicContact CG1-CG1 3.98Å; V34-V51 HydrophobicContact CG2-CG1 3.79Å; V34-L55 HydrophobicContact CG2-CD1 4.06Å; V34-L55 HydrophobicContact CG2-CD2 4.31Å; V34-F76 CarbonylContact O-C 3.43Å; V34-F76 WeakPolarHBondContact O-CA 3.4Å; V34-F76 WeakPolarHBondContact O-CB 3.36Å; V34-I77 PolarHBondContact N-O 3.41Å; V34-I77 PolarHBondContact O-N 3.46Å; V34-F79 HydrophobicContact CG2-CD2 4.36Å; V34-F79 HydrophobicContact CG2-CE2 4.03Å; V34-L110 HydrophobicContact CG1-CB 3.78Å; V34-L110 HydrophobicContact CG1-CD1 3.97Å; V34-K111 WeakPolarHBondContact CA-O 3.46Å; V34-V112 HydrophobicContact CG2-CG2 4.31Å
35A91.8Very high82.5Confident46 Ų4657.8 Ų57.838%0.3833%0.33SS..EExtended strand (participates in β ladder)trans-72.6126.1176.100000109.8K111A35-K111 HydrophobicContact CB-CB 4.39Å; A35-K111 PolarHBondContact N-O 2.92Å
36L87.3Confident82Confident30 Ų3058.5 Ų58.516%0.15733%0.334CS..PPolyproline II helixtrans-91148.9175.2-61.7-176.8000110V34 I46 T73 M74 D75 I77 L110V34-L36 PolarHBondContact O-N 2.91Å; L36-I46 HydrophobicContact CD2-CB 4.38Å; L36-I46 HydrophobicContact CD2-CD1 3.84Å; L36-I46 HydrophobicContact CD2-CG2 4.02Å; L36-T73 WeakPolarHBondContact CD1-O 3.31Å; L36-M74 WeakPolarHBondContact CB-O 3.38Å; L36-D75 PolarHBondContact N-O 3.04Å; L36-I77 HydrophobicContact CD1-CD1 4.16Å; L36-I77 HydrophobicContact CD1-CG1 3.79Å; L36-I77 HydrophobicContact CD2-CD1 3.88Å; L36-I77 HydrophobicContact CD2-CG1 4.06Å; L36-I77 HydrophobicContact CG-CD1 4.41Å; L36-I77 HydrophobicContact CG-CG1 4.07Å; L36-L110 HydrophobicContact CD2-CD1 4.24Å
37P82.5Confident81.8Confident21 Ų2160 Ų6014%0.13635%0.345CS..PPolyproline II helixtrans-81.1152.817731.1-20.9000109.9L39 I46 D108 L110P37-L39 HydrophobicContact CG-CD2 4.1Å; P37-L39 PolarHBondContact O-N 3.44Å; P37-I46 VanDerWaalsContact CD-CD1 3.45Å; P37-I46 HydrophobicContact CG-CD1 3.97Å; P37-D108 HydrophobicContact CB-CB 3.62Å; P37-D108 WeakPolarHBondContact CB-OD2 3.47Å; P37-D108 HydrophobicContact CG-CB 3.76Å; P37-L110 VanDerWaalsContact CD-CD2 3.5Å; P37-L110 HydrophobicContact CG-CD2 3.94Å
38Q75.6Confident81.9Confident165 Ų16561.2 Ų61.277%0.77135%0.352SS*.  trans-70.499168.9-68.7-174.52.400108.8K40Q38-K40 PolarHBondContact O-N 2.92Å
39L68.9Low82.1Confident68 Ų6869.1 Ų69.136%0.35638%0.381SS..  trans-63.4110.3-176.8-65.5174.4000110P37 Q41 K44 I46 F106P37-L39 HydrophobicContact CG-CD2 4.1Å; P37-L39 PolarHBondContact O-N 3.44Å; L39-Q41 VanDerWaalsContact C-N 3.26Å; L39-Q41 PolarHBondContact O-N 3.08Å; L39-K44 VanDerWaalsContact CD1-O 3.24Å; L39-K44 WeakPolarHBondContact CD1-O 3.49Å; L39-I46 HydrophobicContact CD2-CD1 4.5Å; L39-F106 HydrophobicContact CD2-CD1 3.78Å; L39-F106 HydrophobicContact CD2-CE1 3.45Å; L39-F106 VanDerWaalsContact CD2-CE1 3.45Å
40K64.8Low82.1Confident204 Ų20469.7 Ų69.789%0.88738%0.384SS*.SBendtrans-73-15.4-178.3-62.7-176.7-179.4179.10113.9Q38Q38-K40 PolarHBondContact O-N 2.92Å
41Q63.5Low82.1Confident114 Ų11469.7 Ų69.753%0.53338%0.384SS..SBendtrans-111.1120.6-177.9-69.6-172.2-18.400110.7L39 G43 K44L39-Q41 VanDerWaalsContact C-N 3.26Å; L39-Q41 PolarHBondContact O-N 3.08Å; Q41-G43 PolarHBondContact O-N 3.36Å; Q41-K44 VanDerWaalsContact OE1-CE 3.3Å
42P60.6Low82.1Confident134 Ų13469.6 Ų69.687%0.8738%0.382SS*.THydrogen-bonded Turntrans-64.3132.6174.525.2-30.7000110.1
43G69.6Low81.9Confident85 Ų8573 Ų7388%0.87640%0.398SS*.THydrogen-bonded Turntrans101.5-9.8176.200000116.2Q41Q41-G43 PolarHBondContact O-N 3.36Å
44K73Confident81.8Confident107 Ų10777.2 Ų77.247%0.46541%0.41SS..  trans-88.8134.8166.9-73-178.3175.61700109.4L39 Q41 F106L39-K44 VanDerWaalsContact CD1-O 3.24Å; L39-K44 WeakPolarHBondContact CD1-O 3.49Å; Q41-K44 VanDerWaalsContact OE1-CE 3.3Å; K44-F106 HydrophobicContact CB-CE1 4.21Å; K44-F106 HydrophobicContact CB-CZ 4.39Å
45S77.5Confident81.7Confident99 Ų9977.2 Ų77.269%0.69241%0.41SS*.  trans-134147.1176.160.90000110
46I84Confident81.6Confident19 Ų1979.2 Ų79.210%0.09741%0.41CS..  trans-88.2127.3176.4-71.7169000108.1L36 P37 L39 N48 V51 L103 F106 L110L36-I46 HydrophobicContact CD2-CB 4.38Å; L36-I46 HydrophobicContact CD2-CD1 3.84Å; L36-I46 HydrophobicContact CD2-CG2 4.02Å; P37-I46 VanDerWaalsContact CD-CD1 3.45Å; P37-I46 HydrophobicContact CG-CD1 3.97Å; L39-I46 HydrophobicContact CD2-CD1 4.5Å; I46-N48 PolarHBondContact O-N 2.92Å; I46-V51 HydrophobicContact CG2-CG2 3.58Å; I46-L103 HydrophobicContact CB-CD1 4.25Å; I46-L103 HydrophobicContact CD1-CD1 4.2Å; I46-L103 HydrophobicContact CG1-CD1 3.98Å; I46-L103 HydrophobicContact CG2-CD1 3.38Å; I46-F106 HydrophobicContact CD1-CE1 4.48Å; I46-F106 HydrophobicContact CG1-CD1 4.33Å; I46-F106 HydrophobicContact CG1-CD2 4.29Å; I46-F106 HydrophobicContact CG1-CE1 3.9Å; I46-F106 HydrophobicContact CG1-CE2 3.85Å; I46-F106 HydrophobicContact CG1-CZ 3.64Å; I46-L110 HydrophobicContact CD1-CD2 4.31Å
47S87.6Confident81.7Confident58 Ų5879.7 Ų79.741%0.40642%0.423SS..  trans-75.4124177.1176.80000110.8W49 E50 V51S47-W49 PolarHBondContact O-N 3.04Å; S47-W49 PolarHBondContact OG-N 3.2Å; S47-E50 PolarHBondContact O-N 3.25Å; S47-E50 VanDerWaalsContact O-N 3.16Å; S47-V51 PolarHBondContact O-N 3.46Å
48N90.4Very high82Confident52 Ų5281 Ų8128%0.27843%0.428SS..Hα-helixtrans-57.7-33.8174.7-68-8.1000112.2I46 M52 I69 S72 I77I46-N48 PolarHBondContact O-N 2.92Å; N48-M52 WeakPolarHBondContact O-CB 3.48Å; N48-M52 PolarHBondContact O-N 3.27Å; N48-I69 HydrophobicContact CB-CD1 3.63Å; N48-S72 PolarHBondContact ND2-OG 3.11Å; N48-I77 WeakPolarHBondContact OD1-CD1 3.43Å
49W89.9Confident82.6Confident172 Ų17273.3 Ų73.365%0.65239%0.392SS*.Hα-helixtrans-69.2-41.8178.2-177.389.2000111.9S47 V51 M52 E53S47-W49 PolarHBondContact O-N 3.04Å; S47-W49 PolarHBondContact OG-N 3.2Å; W49-V51 VanDerWaalsContact C-N 3.31Å; W49-V51 PolarHBondContact O-N 2.95Å; W49-M52 WeakPolarHBondContact O-CB 3.41Å; W49-M52 PolarHBondContact O-N 3.46Å; W49-M52 VanDerWaalsContact O-N 3.14Å; W49-E53 HydrophobicContact CD2-CG 3.94Å; W49-E53 HydrophobicContact CE3-CG 4.11Å; W49-E53 HydrophobicContact CH2-CG 3.73Å; W49-E53 HydrophobicContact CZ2-CG 3.52Å; W49-E53 HydrophobicContact CZ3-CG 4.01Å; W49-E53 PolarHBondContact O-N 3.47Å
50E90.3Very high82.6Confident37 Ų3777.7 Ų77.717%0.17341%0.41CS..Hα-helixtrans-61.6-42.8176.9-168.5-174.5175.700110.7S47 M52 E53 R54 L103 S104S47-E50 PolarHBondContact O-N 3.25Å; S47-E50 VanDerWaalsContact O-N 3.16Å; E50-M52 VanDerWaalsContact C-N 3.34Å; E50-M52 PolarHBondContact O-N 3.06Å; E50-E53 PolarHBondContact O-N 3.28Å; E50-R54 VanDerWaalsContact O-CG 3.22Å; E50-R54 WeakPolarHBondContact O-CG 3.39Å; E50-R54 PolarHBondContact O-N 3.4Å; E50-L103 HydrophobicContact CG-CD2 3.95Å; E50-S104 PolarHBondContact OE1-N 3.03Å; E50-S104 PolarHBondContact OE1-OG 3.34Å
51V90.9Very high83.2Confident0 Ų075.1 Ų75.10%041%0.407CS..Hα-helixtrans-62.4-42175.1178.70000111.2V34 I46 S47 W49 R54 L55 I77 F79 L103 L110V34-V51 HydrophobicContact CB-CG1 4.07Å; V34-V51 HydrophobicContact CG1-CG1 3.98Å; V34-V51 HydrophobicContact CG2-CG1 3.79Å; I46-V51 HydrophobicContact CG2-CG2 3.58Å; S47-V51 PolarHBondContact O-N 3.46Å; W49-V51 VanDerWaalsContact C-N 3.31Å; W49-V51 PolarHBondContact O-N 2.95Å; V51-R54 PolarHBondContact O-N 3.16Å; V51-L55 HydrophobicContact CG1-CD1 4.4Å; V51-L55 WeakPolarHBondContact O-CG 3.48Å; V51-L55 PolarHBondContact O-N 3.22Å; V51-I77 HydrophobicContact CB-CD1 4.3Å; V51-I77 HydrophobicContact CG1-CD1 4.43Å; V51-I77 HydrophobicContact CG2-CD1 4.03Å; V51-F79 HydrophobicContact CB-CZ 4.2Å; V51-F79 HydrophobicContact CG1-CE2 3.72Å; V51-F79 HydrophobicContact CG1-CZ 3.8Å; V51-L103 HydrophobicContact CG2-CD1 3.99Å; V51-L103 HydrophobicContact CG2-CD2 4.27Å; V51-L110 HydrophobicContact CG2-CD1 4.28Å
52M91.6Very high84Confident27 Ų2772.3 Ų72.313%0.13339%0.393CS..Hα-helixtrans-61.6-45.4177.1-173.2-177.7-75.100112.3N48 W49 E50 R54 L55 K56 L67 I69 F79N48-M52 WeakPolarHBondContact O-CB 3.48Å; N48-M52 PolarHBondContact O-N 3.27Å; W49-M52 WeakPolarHBondContact O-CB 3.41Å; W49-M52 PolarHBondContact O-N 3.46Å; W49-M52 VanDerWaalsContact O-N 3.14Å; E50-M52 VanDerWaalsContact C-N 3.34Å; E50-M52 PolarHBondContact O-N 3.06Å; M52-R54 VanDerWaalsContact C-N 3.35Å; M52-L55 WeakPolarHBondContact O-CB 3.48Å; M52-L55 PolarHBondContact O-N 2.97Å; M52-K56 PolarHBondContact O-N 3.39Å; M52-L67 WeakPolarHBondContact CE-O 3.34Å; M52-L67 HydrophobicContact CG-CD2 3.62Å; M52-L67 HydrophobicContact CG-CG 4.2Å; M52-I69 HydrophobicContact CE-CD1 4.41Å; M52-I69 HydrophobicContact CE-CG1 4.08Å; M52-F79 HydrophobicContact CB-CE1 3.95Å; M52-F79 HydrophobicContact CB-CZ 4.43Å; M52-F79 HydrophobicContact CE-CD1 4.1Å; M52-F79 HydrophobicContact CE-CE1 3.89Å; M52-F79 HydrophobicContact CG-CE1 4.32Å
53E91.3Very high85.1Confident70 Ų7074 Ų7433%0.32739%0.39SS..Hα-helixtrans-66.3-37.6178.6-73.6-58.9115.200112.1W49 E50 L55 K56 G57W49-E53 HydrophobicContact CD2-CG 3.94Å; W49-E53 HydrophobicContact CE3-CG 4.11Å; W49-E53 HydrophobicContact CH2-CG 3.73Å; W49-E53 HydrophobicContact CZ2-CG 3.52Å; W49-E53 HydrophobicContact CZ3-CG 4.01Å; W49-E53 PolarHBondContact O-N 3.47Å; E50-E53 PolarHBondContact O-N 3.28Å; E53-L55 VanDerWaalsContact C-N 3.32Å; E53-L55 PolarHBondContact O-N 3.38Å; E53-K56 PolarHBondContact O-N 3.02Å; E53-K56 WeakPolarHBondContact OE1-CD 3.38Å; E53-K56 IonicContact OE1-NZ 3.05Å; E53-K56 PolarHBondContact OE1-NZ 2.98Å; E53-G57 PolarHBondContact O-N 3.48Å
54R91.5Very high85.9Confident113 Ų11371.4 Ų71.443%0.42635%0.354SS..Hα-helixtrans-61.1-42.3172.4-68.4-70.2-176.21621.8111.6E50 V51 M52 G57 M58 I101 L103E50-R54 VanDerWaalsContact O-CG 3.22Å; E50-R54 WeakPolarHBondContact O-CG 3.39Å; E50-R54 PolarHBondContact O-N 3.4Å; V51-R54 PolarHBondContact O-N 3.16Å; M52-R54 VanDerWaalsContact C-N 3.35Å; R54-G57 PolarHBondContact O-N 2.97Å; R54-M58 VanDerWaalsContact O-CG 3.27Å; R54-M58 WeakPolarHBondContact O-CG 3.45Å; R54-M58 PolarHBondContact O-N 3.03Å; R54-M58 VanDerWaalsContact O-N 3.1Å; R54-I101 HydrophobicContact CB-CD1 4.01Å; R54-I101 HydrophobicContact CB-CG1 4.25Å; R54-I101 HydrophobicContact CB-CG2 3.62Å; R54-I101 HydrophobicContact CG-CG2 3.71Å; R54-L103 HydrophobicContact CG-CD2 4.02Å
55L92.2Very high86.6Confident0 Ų068.7 Ų68.70%035%0.349CS..Hα-helixtrans-62.2-44.5175.4-72.8172000112I32 V34 V51 M52 E53 G57 M58 V59 F79 L96 I101 V112I32-L55 HydrophobicContact CG2-CD1 3.99Å; I32-L55 HydrophobicContact CG2-CD2 3.79Å; V34-L55 HydrophobicContact CG2-CD1 4.06Å; V34-L55 HydrophobicContact CG2-CD2 4.31Å; V51-L55 HydrophobicContact CG1-CD1 4.4Å; V51-L55 WeakPolarHBondContact O-CG 3.48Å; V51-L55 PolarHBondContact O-N 3.22Å; M52-L55 WeakPolarHBondContact O-CB 3.48Å; M52-L55 PolarHBondContact O-N 2.97Å; E53-L55 VanDerWaalsContact C-N 3.32Å; E53-L55 PolarHBondContact O-N 3.38Å; L55-G57 VanDerWaalsContact C-N 3.35Å; L55-G57 PolarHBondContact O-N 3.36Å; L55-M58 HydrophobicContact CD2-SD 4.34Å; L55-M58 PolarHBondContact O-N 3.25Å; L55-V59 WeakPolarHBondContact O-CG2 3.44Å; L55-F79 HydrophobicContact CD1-CD2 3.54Å; L55-F79 HydrophobicContact CD1-CE2 3.6Å; L55-F79 HydrophobicContact CD1-CG 4.03Å; L55-F79 HydrophobicContact CD1-CZ 4.13Å; L55-L96 HydrophobicContact CD2-CD2 3.97Å; L55-I101 HydrophobicContact CD2-CD1 3.77Å; L55-I101 HydrophobicContact CG-CD1 3.98Å; L55-V112 HydrophobicContact CD2-CG1 3.93Å; L55-V112 HydrophobicContact CD2-CG2 4.3Å
56K91.3Very high87Confident88 Ų8866.3 Ų66.338%0.38333%0.33SS..Hα-helixtrans-61-44.4174.8-68.3177.6-170.6165.10111.7M52 E53 M58 V59 F64 L67M52-K56 PolarHBondContact O-N 3.39Å; E53-K56 PolarHBondContact O-N 3.02Å; E53-K56 WeakPolarHBondContact OE1-CD 3.38Å; E53-K56 IonicContact OE1-NZ 3.05Å; E53-K56 PolarHBondContact OE1-NZ 2.98Å; K56-M58 PolarHBondContact O-N 3.45Å; K56-V59 PolarHBondContact O-N 3.48Å; K56-V59 VanDerWaalsContact O-N 3.14Å; K56-F64 HydrophobicContact CG-CD2 4.27Å; K56-L67 HydrophobicContact CG-CD2 4.06Å
57G88.8Confident87.3Confident40 Ų4066.6 Ų66.641%0.41233%0.332SS..Hα-helixtrans-65.3-16.2178.300000114.7E53 R54 L55 Q60E53-G57 PolarHBondContact O-N 3.48Å; R54-G57 PolarHBondContact O-N 2.97Å; L55-G57 VanDerWaalsContact C-N 3.35Å; L55-G57 PolarHBondContact O-N 3.36Å; G57-Q60 WeakPolarHBondContact O-CG 3.45Å; G57-Q60 PolarHBondContact O-NE2 3.44Å
58M88.8Confident87.5Confident49 Ų4970.1 Ų70.124%0.24134%0.336CS..Hα-helixtrans-80.7-24174.4-72.4168.370.600113.2R54 L55 K56 L96 K99 I101R54-M58 VanDerWaalsContact O-CG 3.27Å; R54-M58 WeakPolarHBondContact O-CG 3.45Å; R54-M58 PolarHBondContact O-N 3.03Å; R54-M58 VanDerWaalsContact O-N 3.1Å; L55-M58 HydrophobicContact CD2-SD 4.34Å; L55-M58 PolarHBondContact O-N 3.25Å; K56-M58 PolarHBondContact O-N 3.45Å; M58-L96 HydrophobicContact CB-CD2 3.89Å; M58-L96 HydrophobicContact CE-CD2 4.02Å; M58-L96 HydrophobicContact SD-CD2 4.19Å; M58-K99 HydrophobicContact CE-CB 3.33Å; M58-K99 HydrophobicContact CE-CG 3.9Å; M58-I101 HydrophobicContact SD-CD1 3.95Å; M58-I101 HydrophobicContact SD-CG1 3.64Å
59V87.3Confident87.5Confident3 Ų371 Ų712%0.01834%0.34CS..Hα-helixtrans-96.7-8.2-175.4-150.60000113.2L55 K56 N61 H62 F64 F92 L96L55-V59 WeakPolarHBondContact O-CG2 3.44Å; K56-V59 PolarHBondContact O-N 3.48Å; K56-V59 VanDerWaalsContact O-N 3.14Å; V59-N61 VanDerWaalsContact C-N 3.26Å; V59-N61 PolarHBondContact O-N 3.31Å; V59-H62 HydrophobicContact CG1-CB 3.88Å; V59-H62 PolarHBondContact O-N 2.89Å; V59-F64 HydrophobicContact CG2-CE2 3.88Å; V59-F64 HydrophobicContact CG2-CZ 4.06Å; V59-F92 HydrophobicContact CB-CD1 4.36Å; V59-F92 HydrophobicContact CB-CE1 4.11Å; V59-F92 HydrophobicContact CB-CZ 4.45Å; V59-F92 HydrophobicContact CG1-CD1 3.66Å; V59-F92 HydrophobicContact CG1-CD2 3.81Å; V59-F92 HydrophobicContact CG1-CE1 3.61Å; V59-F92 HydrophobicContact CG1-CE2 3.82Å; V59-F92 HydrophobicContact CG1-CG 3.77Å; V59-F92 HydrophobicContact CG1-CZ 3.71Å; V59-F92 HydrophobicContact CG2-CD1 3.91Å; V59-F92 HydrophobicContact CG2-CE1 3.94Å; V59-L96 HydrophobicContact CG2-CD1 4.08Å; V59-L96 HydrophobicContact CG2-CD2 3.89Å; V59-L96 HydrophobicContact CG2-CG 4.09Å
60Q70.8Confident87.6Confident160 Ų16066.3 Ų66.375%0.74833%0.333SS*.THydrogen-bonded Turntrans29.5-64.5169.9-58.6-169.2-5.900118.1G57 H62G57-Q60 WeakPolarHBondContact O-CG 3.45Å; G57-Q60 PolarHBondContact O-NE2 3.44Å; Q60-H62 VanDerWaalsContact C-N 3.27Å; Q60-H62 PolarHBondContact O-N 3.11Å
61N75.6Confident87.8Confident151 Ų15169.9 Ų69.981%0.80735%0.348SS*.THydrogen-bonded Turntrans-78.4-7.9178.9-61.8-22.8000113.7V59V59-N61 VanDerWaalsContact C-N 3.26Å; V59-N61 PolarHBondContact O-N 3.31Å
62H82.1Confident87.8Confident55 Ų5572.7 Ų72.726%0.25537%0.368SS..  trans-133.9154.3179.3-42.990.4000111.3V59 Q60 L88 F92V59-H62 HydrophobicContact CG1-CB 3.88Å; V59-H62 PolarHBondContact O-N 2.89Å; Q60-H62 VanDerWaalsContact C-N 3.27Å; Q60-H62 PolarHBondContact O-N 3.11Å; H62-L88 WeakPolarHBondContact CD2-CD2 3.38Å; H62-F92 HydrophobicContact CB-CD2 4.26Å; H62-F92 HydrophobicContact CB-CE2 3.33Å; H62-F92 HydrophobicContact CB-CZ 3.68Å; H62-F92 AromaticContact CG-CE2 4Å
63Q83.3Confident87.7Confident170 Ų17073.5 Ų73.579%0.79438%0.375SS*.  trans-120.3143.1179.9-62.1-173.811.500111
64F86.6Confident87.3Confident29 Ų2978.2 Ų78.213%0.12740%0.399CS..  trans-72.7135.7168.9-67-84.9000109.2M30 I32 K56 V59 L67 V83 F92 L96M30-F64 HydrophobicContact SD-CE1 4.04Å; I32-F64 HydrophobicContact CD1-CE1 3.79Å; I32-F64 HydrophobicContact CD1-CZ 3.75Å; K56-F64 HydrophobicContact CG-CD2 4.27Å; V59-F64 HydrophobicContact CG2-CE2 3.88Å; V59-F64 HydrophobicContact CG2-CZ 4.06Å; F64-L67 HydrophobicContact CB-CB 4.1Å; F64-L67 HydrophobicContact CD1-CD1 4.22Å; F64-L67 HydrophobicContact CD2-CB 4.45Å; F64-L67 HydrophobicContact CD2-CD2 3.97Å; F64-L67 HydrophobicContact CE1-CD1 4.13Å; F64-L67 HydrophobicContact CE2-CD2 3.99Å; F64-L67 HydrophobicContact CG-CB 4.12Å; F64-L67 HydrophobicContact CG-CD2 4.4Å; F64-L67 HydrophobicContact CZ-CD1 4.34Å; F64-L67 HydrophobicContact CZ-CD2 4.43Å; F64-V83 HydrophobicContact CD1-CG2 4.4Å; F64-F92 HydrophobicContact CD1-CD1 4.11Å; F64-F92 AromaticContact CD1-CE1 3.53Å; F64-F92 HydrophobicContact CD1-CE1 3.53Å; F64-F92 HydrophobicContact CD1-CZ 4.46Å; F64-F92 AromaticContact CD2-CE1 3.94Å; F64-F92 HydrophobicContact CD2-CE1 3.94Å; F64-F92 AromaticContact CE1-CD1 3.5Å; F64-F92 HydrophobicContact CE1-CD1 3.5Å; F64-F92 VanDerWaalsContact CE1-CD1 3.5Å; F64-F92 AromaticContact CE1-CE1 3.35Å; F64-F92 HydrophobicContact CE1-CE1 3.35Å; F64-F92 HydrophobicContact CE2-CD1 4.32Å; F64-F92 AromaticContact CE2-CE1 3.78Å; F64-F92 HydrophobicContact CE2-CE1 3.78Å; F64-F92 AromaticContact CG-CE1 3.83Å; F64-F92 HydrophobicContact CG-CE1 3.83Å; F64-F92 AromaticContact CZ-CD1 3.63Å; F64-F92 HydrophobicContact CZ-CD1 3.63Å; F64-F92 AromaticContact CZ-CE1 3.49Å; F64-F92 HydrophobicContact CZ-CE1 3.49Å; F64-F92 VanDerWaalsContact CZ-CE1 3.49Å; F64-L96 HydrophobicContact CZ-CD1 3.95Å
65S86.1Confident87.1Confident51 Ų5177.5 Ų77.536%0.35740%0.403SS..SBendtrans-67-44.9168.7-48.10000110.2E82 E84S65-E82 PolarHBondContact N-O 3.13Å; S65-E84 WeakPolarHBondContact OG-CG 3.43Å; S65-E84 PolarHBondContact OG-N 2.92Å
66T86.3Confident87.1Confident49 Ų4980 Ų8030%0.30142%0.415SS..EExtended strand (participates in β ladder)trans-142.1141.2171690000109.3G81 E82T66-G81 CarbonylContact O-C 3.53Å; T66-G81 WeakPolarHBondContact O-CA 3.44Å; T66-E82 PolarHBondContact N-O 3.39Å; T66-E82 PolarHBondContact O-N 2.99Å; T66-E82 VanDerWaalsContact OG1-CB 3.25Å; T66-E82 WeakPolarHBondContact OG1-CB 3.28Å
67L90.6Very high87.2Confident25 Ų2575.9 Ų75.913%0.13140%0.396CS..EExtended strand (participates in β ladder)trans-135.9109.8173.1-177.363.5000108.2I32 M52 K56 F64 F79I32-L67 HydrophobicContact CD1-CD1 4.22Å; M52-L67 WeakPolarHBondContact CE-O 3.34Å; M52-L67 HydrophobicContact CG-CD2 3.62Å; M52-L67 HydrophobicContact CG-CG 4.2Å; K56-L67 HydrophobicContact CG-CD2 4.06Å; F64-L67 HydrophobicContact CB-CB 4.1Å; F64-L67 HydrophobicContact CD1-CD1 4.22Å; F64-L67 HydrophobicContact CD2-CB 4.45Å; F64-L67 HydrophobicContact CD2-CD2 3.97Å; F64-L67 HydrophobicContact CE1-CD1 4.13Å; F64-L67 HydrophobicContact CE2-CD2 3.99Å; F64-L67 HydrophobicContact CG-CB 4.12Å; F64-L67 HydrophobicContact CG-CD2 4.4Å; F64-L67 HydrophobicContact CZ-CD1 4.34Å; F64-L67 HydrophobicContact CZ-CD2 4.43Å; L67-F79 HydrophobicContact CD1-CB 3.87Å; L67-F79 HydrophobicContact CD1-CD1 4.46Å; L67-F79 HydrophobicContact CD1-CG 4.47Å; L67-F79 HydrophobicContact CG-CD1 4.47Å
68R91.3Very high87.5Confident132 Ų13278.7 Ų78.750%0.49840%0.395SS..EExtended strand (participates in β ladder)trans-125151.8-175.666.3-178.1-175.9-176.70.8111.6S70 F79 E80R68-S70 PolarHBondContact O-N 3.25Å; R68-F79 CarbonylContact O-C 3.52Å; R68-F79 WeakPolarHBondContact O-CA 3.47Å; R68-E80 HydrophobicContact CG-CB 3.99Å; R68-E80 IonicContact CZ-OE1 2.71Å; R68-E80 IonicContact CZ-OE2 2.85Å; R68-E80 PolarHBondContact N-O 3.02Å; R68-E80 IonicContact NE-OE1 3.18Å; R68-E80 IonicContact NE-OE2 2.75Å; R68-E80 PolarHBondContact NE-OE2 3.1Å; R68-E80 IonicContact NH2-OE1 3.74Å; R68-E80 PolarHBondContact NH2-OE1 3.49Å; R68-E80 IonicContact NH2-OE2 2.67Å; R68-E80 PolarHBondContact NH2-OE2 3.15Å; R68-E80 PolarHBondContact O-N 3.43Å
69I92Very high87.7Confident70 Ų7076.3 Ų76.336%0.35938%0.383SS..EExtended strand (participates in β ladder)trans-79120172.9-59.5158.8000107.5N48 M52 I77 F79N48-I69 HydrophobicContact CB-CD1 3.63Å; M52-I69 HydrophobicContact CE-CD1 4.41Å; M52-I69 HydrophobicContact CE-CG1 4.08Å; I69-I77 HydrophobicContact CG2-CG2 4.18Å; I69-F79 HydrophobicContact CD1-CE1 4.44Å; I69-F79 HydrophobicContact CG1-CD1 3.85Å; I69-F79 HydrophobicContact CG1-CE1 3.57Å; I69-F79 HydrophobicContact CG1-CZ 4.44Å
70S92Very high87.9Confident73 Ų7377.2 Ų77.251%0.5139%0.387SS..EExtended strand (participates in β ladder)trans-88.4-42.6175.6171.20000111.2R68 R78R68-S70 PolarHBondContact O-N 3.25Å; S70-R78 PolarHBondContact N-O 3.08Å
71K92.7Very high88.9Confident112 Ų11269.6 Ų69.649%0.48735%0.351SS..EExtended strand (participates in β ladder)trans-151.2138179.2-174.8172.8-179.4173.70110.1T73 F76 R78K71-T73 HydrophobicContact CD-CG2 4.39Å; K71-T73 HydrophobicContact CG-CG2 4.17Å; K71-F76 HydrophobicContact CD-CE2 4.22Å; K71-F76 HydrophobicContact CD-CZ 4.18Å; K71-F76 HydrophobicContact CG-CE2 4.39Å; K71-R78 HydrophobicContact CB-CB 4.2Å; K71-R78 PolarHBondContact N-O 3.29Å; K71-R78 VanDerWaalsContact N-O 3.13Å; K71-R78 PolarHBondContact O-N 2.98Å
72S91.6Very high89.5Confident60 Ų6062.8 Ų62.842%0.4232%0.315SS..EExtended strand (participates in β ladder)trans-126.3125.7174.1-163.10000108.7N48N48-S72 PolarHBondContact ND2-OG 3.11Å
73T89.6Confident89.8Confident43 Ų4360.1 Ų60.126%0.26430%0.302SS..  trans-128.6177.8174.368.80000109.7L36 K71 D75 F76L36-T73 WeakPolarHBondContact CD1-O 3.31Å; K71-T73 HydrophobicContact CD-CG2 4.39Å; K71-T73 HydrophobicContact CG-CG2 4.17Å; T73-D75 PolarHBondContact O-N 3.11Å; T73-D75 PolarHBondContact OG1-N 3.08Å; T73-F76 HydrophobicContact CG2-CE1 4.22Å; T73-F76 HydrophobicContact CG2-CE2 4.48Å; T73-F76 HydrophobicContact CG2-CZ 4.07Å; T73-F76 PolarHBondContact N-O 3.4Å; T73-F76 WeakPolarHBondContact OG1-CD1 3.39Å; T73-F76 PolarHBondContact OG1-N 3.45Å; T73-F76 VanDerWaalsContact OG1-N 3.1Å; T73-F76 PolarHBondContact OG1-O 3.29Å
74M83.4Confident89.7Confident170 Ų17054.3 Ų54.384%0.83728%0.275SS*.SBendtrans-66.1-26.4173.3-64.8-176.37000112.5L36L36-M74 WeakPolarHBondContact CB-O 3.38Å
75D87.8Confident89.6Confident98 Ų9853.8 Ų53.852%0.52427%0.274SS..SBendtrans-98-24.3-174-53.7-49.9000113.5L36 T73L36-D75 PolarHBondContact N-O 3.04Å; T73-D75 PolarHBondContact O-N 3.11Å; T73-D75 PolarHBondContact OG1-N 3.08Å
76F91.3Very high89.4Confident53 Ų5357.4 Ų57.423%0.23228%0.283CS..EExtended strand (participates in β ladder)trans-158.9157.1179.765.7-91.6000113.5V34 K71 T73 R78V34-F76 CarbonylContact O-C 3.43Å; V34-F76 WeakPolarHBondContact O-CA 3.4Å; V34-F76 WeakPolarHBondContact O-CB 3.36Å; K71-F76 HydrophobicContact CD-CE2 4.22Å; K71-F76 HydrophobicContact CD-CZ 4.18Å; K71-F76 HydrophobicContact CG-CE2 4.39Å; T73-F76 HydrophobicContact CG2-CE1 4.22Å; T73-F76 HydrophobicContact CG2-CE2 4.48Å; T73-F76 HydrophobicContact CG2-CZ 4.07Å; T73-F76 PolarHBondContact N-O 3.4Å; T73-F76 WeakPolarHBondContact OG1-CD1 3.39Å; T73-F76 PolarHBondContact OG1-N 3.45Å; T73-F76 VanDerWaalsContact OG1-N 3.1Å; T73-F76 PolarHBondContact OG1-O 3.29Å; F76-R78 HydrophobicContact CD2-CB 4.22Å; F76-R78 HydrophobicContact CE2-CB 4.16Å
77I93.4Very high89.1Confident0 Ų058.7 Ų58.70%029%0.294CS..EExtended strand (participates in β ladder)trans-114.4124.7166.9-50.3169.5000108.2S33 V34 L36 N48 V51 I69 F79S33-I77 CarbonylContact C-O 3.5Å; S33-I77 WeakPolarHBondContact CA-O 3.48Å; V34-I77 PolarHBondContact N-O 3.41Å; V34-I77 PolarHBondContact O-N 3.46Å; L36-I77 HydrophobicContact CD1-CD1 4.16Å; L36-I77 HydrophobicContact CD1-CG1 3.79Å; L36-I77 HydrophobicContact CD2-CD1 3.88Å; L36-I77 HydrophobicContact CD2-CG1 4.06Å; L36-I77 HydrophobicContact CG-CD1 4.41Å; L36-I77 HydrophobicContact CG-CG1 4.07Å; N48-I77 WeakPolarHBondContact OD1-CD1 3.43Å; V51-I77 HydrophobicContact CB-CD1 4.3Å; V51-I77 HydrophobicContact CG1-CD1 4.43Å; V51-I77 HydrophobicContact CG2-CD1 4.03Å; I69-I77 HydrophobicContact CG2-CG2 4.18Å; I77-F79 HydrophobicContact CB-CE2 3.84Å; I77-F79 HydrophobicContact CB-CZ 4.27Å; I77-F79 HydrophobicContact CG2-CD2 4.06Å; I77-F79 HydrophobicContact CG2-CE1 4.18Å; I77-F79 HydrophobicContact CG2-CE2 3.39Å; I77-F79 HydrophobicContact CG2-CZ 3.48Å; I77-F79 VanDerWaalsContact CG2-CZ 3.48Å
78R94.1Very high88.8Confident99 Ų9959.2 Ų59.237%0.37430%0.297SS..EExtended strand (participates in β ladder)trans-105.8122175.6-174.1170.5-69.2170.62.3109.9T31 I32 S33 S70 K71 F76T31-R78 HydrophobicContact CG2-CG 3.54Å; I32-R78 CarbonylContact O-C 3.35Å; I32-R78 WeakPolarHBondContact O-CA 3.44Å; S33-R78 PolarHBondContact OG-NE 3.46Å; S70-R78 PolarHBondContact N-O 3.08Å; K71-R78 HydrophobicContact CB-CB 4.2Å; K71-R78 PolarHBondContact N-O 3.29Å; K71-R78 VanDerWaalsContact N-O 3.13Å; K71-R78 PolarHBondContact O-N 2.98Å; F76-R78 HydrophobicContact CD2-CB 4.22Å; F76-R78 HydrophobicContact CE2-CB 4.16Å
79F94Very high88.6Confident0 Ų053.1 Ų53.10%027%0.274CS..EExtended strand (participates in β ladder)trans-104146.6173.3-57.4-95000110.4T31 I32 V34 V51 M52 L55 L67 R68 I69 I77T31-F79 WeakPolarHBondContact CA-O 3.39Å; I32-F79 HydrophobicContact CB-CB 4.27Å; I32-F79 PolarHBondContact N-O 2.98Å; I32-F79 PolarHBondContact O-N 3.49Å; V34-F79 HydrophobicContact CG2-CD2 4.36Å; V34-F79 HydrophobicContact CG2-CE2 4.03Å; V51-F79 HydrophobicContact CB-CZ 4.2Å; V51-F79 HydrophobicContact CG1-CE2 3.72Å; V51-F79 HydrophobicContact CG1-CZ 3.8Å; M52-F79 HydrophobicContact CB-CE1 3.95Å; M52-F79 HydrophobicContact CB-CZ 4.43Å; M52-F79 HydrophobicContact CE-CD1 4.1Å; M52-F79 HydrophobicContact CE-CE1 3.89Å; M52-F79 HydrophobicContact CG-CE1 4.32Å; L55-F79 HydrophobicContact CD1-CD2 3.54Å; L55-F79 HydrophobicContact CD1-CE2 3.6Å; L55-F79 HydrophobicContact CD1-CG 4.03Å; L55-F79 HydrophobicContact CD1-CZ 4.13Å; L67-F79 HydrophobicContact CD1-CB 3.87Å; L67-F79 HydrophobicContact CD1-CD1 4.46Å; L67-F79 HydrophobicContact CD1-CG 4.47Å; L67-F79 HydrophobicContact CG-CD1 4.47Å; R68-F79 CarbonylContact O-C 3.52Å; R68-F79 WeakPolarHBondContact O-CA 3.47Å; I69-F79 HydrophobicContact CD1-CE1 4.44Å; I69-F79 HydrophobicContact CG1-CD1 3.85Å; I69-F79 HydrophobicContact CG1-CE1 3.57Å; I69-F79 HydrophobicContact CG1-CZ 4.44Å; I77-F79 HydrophobicContact CB-CE2 3.84Å; I77-F79 HydrophobicContact CB-CZ 4.27Å; I77-F79 HydrophobicContact CG2-CD2 4.06Å; I77-F79 HydrophobicContact CG2-CE1 4.18Å; I77-F79 HydrophobicContact CG2-CE2 3.39Å; I77-F79 HydrophobicContact CG2-CZ 3.48Å; I77-F79 VanDerWaalsContact CG2-CZ 3.48Å
80E92.2Very high88.3Confident21 Ų2157.8 Ų57.810%0.09829%0.292CS..EExtended strand (participates in β ladder)trans-108.7115.4165.6-173.7-175.1163.200107K29 R68K29-E80 WeakPolarHBondContact CD-OE1 3.39Å; K29-E80 WeakPolarHBondContact CE-OE1 3.4Å; K29-E80 IonicContact NZ-OE1 3.81Å; K29-E80 PolarHBondContact NZ-OE1 3.3Å; R68-E80 HydrophobicContact CG-CB 3.99Å; R68-E80 IonicContact CZ-OE1 2.71Å; R68-E80 IonicContact CZ-OE2 2.85Å; R68-E80 PolarHBondContact N-O 3.02Å; R68-E80 IonicContact NE-OE1 3.18Å; R68-E80 IonicContact NE-OE2 2.75Å; R68-E80 PolarHBondContact NE-OE2 3.1Å; R68-E80 IonicContact NH2-OE1 3.74Å; R68-E80 PolarHBondContact NH2-OE1 3.49Å; R68-E80 IonicContact NH2-OE2 2.67Å; R68-E80 PolarHBondContact NH2-OE2 3.15Å; R68-E80 PolarHBondContact O-N 3.43Å
81G90.2Very high88.1Confident0 Ų056.4 Ų56.40%028%0.282CS..EExtended strand (participates in β ladder)trans-107.5127.9177.100000110.1K29 M30 T66K29-G81 CarbonylContact C-O 3.47Å; K29-G81 WeakPolarHBondContact CA-O 3.49Å; M30-G81 PolarHBondContact N-O 3.31Å; M30-G81 PolarHBondContact O-N 3.32Å; T66-G81 CarbonylContact O-C 3.53Å; T66-G81 WeakPolarHBondContact O-CA 3.44Å
82E88.7Confident88Confident8 Ų851.1 Ų51.14%0.03726%0.259CS..EExtended strand (participates in β ladder)trans-101.4135.7167.4-165.2174.7164.500109.2T28 K29 S65 T66 K238T28-E82 WeakPolarHBondContact O-CA 3.5Å; K29-E82 HydrophobicContact CG-CB 4.32Å; K29-E82 HydrophobicContact CG-CG 4.17Å; S65-E82 PolarHBondContact N-O 3.13Å; T66-E82 PolarHBondContact N-O 3.39Å; T66-E82 PolarHBondContact O-N 2.99Å; T66-E82 VanDerWaalsContact OG1-CB 3.25Å; T66-E82 WeakPolarHBondContact OG1-CB 3.28Å; E82-K238 IonicContact OE1-NZ 3.95Å; E82-K238 PolarHBondContact OE1-NZ 3.31Å
83V88.3Confident88Confident0 Ų050.3 Ų50.30%025%0.25CC..  trans-117.7153.5179.5-174.80000108.5T28 M30 F64 N85 L88 F92T28-V83 PolarHBondContact O-N 3.35Å; T28-V83 PolarHBondContact OG1-O 3.24Å; M30-V83 HydrophobicContact CE-CG2 3.44Å; M30-V83 VanDerWaalsContact CE-CG2 3.44Å; M30-V83 HydrophobicContact SD-CG2 4.49Å; F64-V83 HydrophobicContact CD1-CG2 4.4Å; V83-N85 PolarHBondContact O-N 2.92Å; V83-L88 HydrophobicContact CG1-CB 3.45Å; V83-L88 VanDerWaalsContact CG1-CB 3.45Å; V83-L88 HydrophobicContact CG1-CD1 3.86Å; V83-L88 HydrophobicContact CG1-CG 4.3Å; V83-F92 HydrophobicContact CG1-CD2 4.21Å; V83-F92 HydrophobicContact CG1-CE2 3.72Å; V83-F92 HydrophobicContact CG1-CZ 4.11Å; V83-F92 HydrophobicContact CG2-CD1 4.09Å; V83-F92 HydrophobicContact CG2-CD2 4.27Å; V83-F92 HydrophobicContact CG2-CE1 3.99Å; V83-F92 HydrophobicContact CG2-CE2 4.13Å; V83-F92 HydrophobicContact CG2-CG 4.23Å; V83-F92 HydrophobicContact CG2-CZ 4Å
84E82.3Confident88Confident48 Ų4851.7 Ų51.722%0.22427%0.266CS..SBendtrans-68.7-35.1-173.8-67.2-162145.800114.4H8 K25 S65H8-E84 WeakPolarHBondContact CB-OE1 3.46Å; H8-E84 IonicContact CD2-OE1 3.8Å; H8-E84 PolarHBondContact CD2-OE1 3.45Å; H8-E84 VanDerWaalsContact CD2-OE1 3.3Å; H8-E84 IonicContact CG-OE1 3.68Å; K25-E84 WeakPolarHBondContact CE-O 3.49Å; K25-E84 PolarHBondContact NZ-O 3Å; S65-E84 WeakPolarHBondContact OG-CG 3.43Å; S65-E84 PolarHBondContact OG-N 2.92Å
85N83.8Confident88.3Confident18 Ų1845.7 Ų45.710%0.09624%0.24CC..  trans-134.3152.4-171.9-67.1-26.4000111.9D9 E12 V83 S87 L88D9-N85 PolarHBondContact OD2-ND2 2.99Å; D9-N85 PolarHBondContact OD2-OD1 3.43Å; E12-N85 WeakPolarHBondContact OE1-CB 3.49Å; V83-N85 PolarHBondContact O-N 2.92Å; N85-S87 VanDerWaalsContact C-N 3.34Å; N85-S87 PolarHBondContact O-N 3.16Å; N85-L88 HydrophobicContact CB-CD1 4.34Å; N85-L88 HydrophobicContact CB-CG 4.19Å; N85-L88 PolarHBondContact O-N 3.17Å
86K82.2Confident88.5Confident126 Ų12641 Ų4155%0.54822%0.215SC..Hα-helixtrans-70.8-32.2-179.5-167.9173.2-177.51760112.5E12 T28 L88 V89E12-K86 PolarHBondContact OE1-N 2.97Å; E12-K86 PolarHBondContact OE2-N 3.13Å; E12-K86 VanDerWaalsContact OE2-N 3.13Å; T28-K86 VanDerWaalsContact CG2-CA 3.47Å; T28-K86 HydrophobicContact CG2-CB 3.67Å; T28-K86 HydrophobicContact CG2-CG 4.11Å; K86-L88 VanDerWaalsContact C-N 3.25Å; K86-L88 PolarHBondContact O-N 3.02Å; K86-V89 WeakPolarHBondContact O-CB 3.46Å; K86-V89 PolarHBondContact O-N 3.42Å
87S80.2Confident88.6Confident76 Ų7642 Ų4253%0.53122%0.223SC..Hα-helixtrans-59.1-38175.358.60000112.3N85 V89N85-S87 VanDerWaalsContact C-N 3.34Å; N85-S87 PolarHBondContact O-N 3.16Å; S87-V89 VanDerWaalsContact C-N 3.34Å; S87-V89 PolarHBondContact O-N 3.35Å
88L84.3Confident88.5Confident36 Ų3644.4 Ų44.419%0.18825%0.248CC..Hα-helixtrans-70.6-28.4-179.3-64.2-176.4000112.7H62 V83 N85 K86 K90 S91 F92H62-L88 WeakPolarHBondContact CD2-CD2 3.38Å; V83-L88 HydrophobicContact CG1-CB 3.45Å; V83-L88 VanDerWaalsContact CG1-CB 3.45Å; V83-L88 HydrophobicContact CG1-CD1 3.86Å; V83-L88 HydrophobicContact CG1-CG 4.3Å; N85-L88 HydrophobicContact CB-CD1 4.34Å; N85-L88 HydrophobicContact CB-CG 4.19Å; N85-L88 PolarHBondContact O-N 3.17Å; K86-L88 VanDerWaalsContact C-N 3.25Å; K86-L88 PolarHBondContact O-N 3.02Å; L88-K90 PolarHBondContact O-N 3.23Å; L88-S91 WeakPolarHBondContact O-CA 3.23Å; L88-S91 WeakPolarHBondContact O-CB 3.49Å; L88-S91 PolarHBondContact O-N 3.08Å; L88-F92 HydrophobicContact CB-CD2 4.26Å; L88-F92 HydrophobicContact CB-CE2 4.2Å; L88-F92 VanDerWaalsContact O-CD2 3.22Å; L88-F92 WeakPolarHBondContact O-CD2 3.39Å; L88-F92 PolarHBondContact O-N 3.21Å
89V86.4Confident88.4Confident4 Ų444.6 Ų44.62%0.02425%0.251CS..Hα-helixtrans-54.1-42.9179177.60000111T28 M30 K86 S87 S91 F92 L93 E116T28-V89 HydrophobicContact CG2-CG2 4.12Å; M30-V89 HydrophobicContact CE-CG1 4.22Å; K86-V89 WeakPolarHBondContact O-CB 3.46Å; K86-V89 PolarHBondContact O-N 3.42Å; S87-V89 VanDerWaalsContact C-N 3.34Å; S87-V89 PolarHBondContact O-N 3.35Å; V89-S91 PolarHBondContact O-N 2.93Å; V89-F92 PolarHBondContact O-N 3.15Å; V89-L93 HydrophobicContact CG1-CD1 4.08Å; V89-L93 HydrophobicContact CG1-CG 4.41Å; V89-L93 VanDerWaalsContact O-CG 3.28Å; V89-L93 WeakPolarHBondContact O-CG 3.41Å; V89-L93 PolarHBondContact O-N 3.41Å; V89-E116 HydrophobicContact CG1-CG 4.34Å
90K86.5Confident88.3Confident168 Ų16848.6 Ų48.673%0.7328%0.276SS*.Hα-helixtrans-63.1-42.4177-67.3-175.2179.2-179.50112.1L88 L93 A94L88-K90 PolarHBondContact O-N 3.23Å; K90-L93 PolarHBondContact O-N 3.16Å; K90-A94 PolarHBondContact O-N 3.27Å
91S88.3Confident88.3Confident45 Ų4547.9 Ų47.932%0.31527%0.273SS..Hα-helixtrans-62.7-44.5176.4-55.30000111.7L88 V89 A94 C95L88-S91 WeakPolarHBondContact O-CA 3.23Å; L88-S91 WeakPolarHBondContact O-CB 3.49Å; L88-S91 PolarHBondContact O-N 3.08Å; V89-S91 PolarHBondContact O-N 2.93Å; S91-A94 PolarHBondContact O-N 3.2Å; S91-C95 PolarHBondContact O-N 3.46Å; S91-C95 PolarHBondContact O-SG 3.38Å
92F90.2Very high88.2Confident0 Ų054.7 Ų54.70%030%0.302CS..Hα-helixtrans-63.1-44.2176.5-85.7-114.1000111.9M30 V59 H62 F64 V83 L88 V89 A94 C95 L96M30-F92 HydrophobicContact CE-CB 3.4Å; M30-F92 HydrophobicContact CE-CD1 3.95Å; M30-F92 HydrophobicContact CE-CG 3.79Å; M30-F92 HydrophobicContact SD-CB 3.85Å; M30-F92 HydrophobicContact SD-CD1 3.95Å; M30-F92 HydrophobicContact SD-CG 4.26Å; V59-F92 HydrophobicContact CB-CD1 4.36Å; V59-F92 HydrophobicContact CB-CE1 4.11Å; V59-F92 HydrophobicContact CB-CZ 4.45Å; V59-F92 HydrophobicContact CG1-CD1 3.66Å; V59-F92 HydrophobicContact CG1-CD2 3.81Å; V59-F92 HydrophobicContact CG1-CE1 3.61Å; V59-F92 HydrophobicContact CG1-CE2 3.82Å; V59-F92 HydrophobicContact CG1-CG 3.77Å; V59-F92 HydrophobicContact CG1-CZ 3.71Å; V59-F92 HydrophobicContact CG2-CD1 3.91Å; V59-F92 HydrophobicContact CG2-CE1 3.94Å; H62-F92 HydrophobicContact CB-CD2 4.26Å; H62-F92 HydrophobicContact CB-CE2 3.33Å; H62-F92 HydrophobicContact CB-CZ 3.68Å; H62-F92 AromaticContact CG-CE2 4Å; F64-F92 HydrophobicContact CD1-CD1 4.11Å; F64-F92 AromaticContact CD1-CE1 3.53Å; F64-F92 HydrophobicContact CD1-CE1 3.53Å; F64-F92 HydrophobicContact CD1-CZ 4.46Å; F64-F92 AromaticContact CD2-CE1 3.94Å; F64-F92 HydrophobicContact CD2-CE1 3.94Å; F64-F92 AromaticContact CE1-CD1 3.5Å; F64-F92 HydrophobicContact CE1-CD1 3.5Å; F64-F92 VanDerWaalsContact CE1-CD1 3.5Å; F64-F92 AromaticContact CE1-CE1 3.35Å; F64-F92 HydrophobicContact CE1-CE1 3.35Å; F64-F92 HydrophobicContact CE2-CD1 4.32Å; F64-F92 AromaticContact CE2-CE1 3.78Å; F64-F92 HydrophobicContact CE2-CE1 3.78Å; F64-F92 AromaticContact CG-CE1 3.83Å; F64-F92 HydrophobicContact CG-CE1 3.83Å; F64-F92 AromaticContact CZ-CD1 3.63Å; F64-F92 HydrophobicContact CZ-CD1 3.63Å; F64-F92 AromaticContact CZ-CE1 3.49Å; F64-F92 HydrophobicContact CZ-CE1 3.49Å; F64-F92 VanDerWaalsContact CZ-CE1 3.49Å; V83-F92 HydrophobicContact CG1-CD2 4.21Å; V83-F92 HydrophobicContact CG1-CE2 3.72Å; V83-F92 HydrophobicContact CG1-CZ 4.11Å; V83-F92 HydrophobicContact CG2-CD1 4.09Å; V83-F92 HydrophobicContact CG2-CD2 4.27Å; V83-F92 HydrophobicContact CG2-CE1 3.99Å; V83-F92 HydrophobicContact CG2-CE2 4.13Å; V83-F92 HydrophobicContact CG2-CG 4.23Å; V83-F92 HydrophobicContact CG2-CZ 4Å; L88-F92 HydrophobicContact CB-CD2 4.26Å; L88-F92 HydrophobicContact CB-CE2 4.2Å; L88-F92 VanDerWaalsContact O-CD2 3.22Å; L88-F92 WeakPolarHBondContact O-CD2 3.39Å; L88-F92 PolarHBondContact O-N 3.21Å; V89-F92 PolarHBondContact O-N 3.15Å; F92-A94 VanDerWaalsContact C-N 3.31Å; F92-A94 PolarHBondContact O-N 2.98Å; F92-C95 PolarHBondContact O-N 2.99Å; F92-C95 VanDerWaalsContact O-N 3.14Å; F92-L96 HydrophobicContact CB-CD1 4.36Å; F92-L96 HydrophobicContact CD1-CD1 4.12Å; F92-L96 VanDerWaalsContact O-CB 3.29Å; F92-L96 WeakPolarHBondContact O-CB 3.28Å; F92-L96 VanDerWaalsContact O-CG 3.29Å; F92-L96 WeakPolarHBondContact O-CG 3.23Å; F92-L96 PolarHBondContact O-N 2.98Å
93L90.9Very high88.1Confident43 Ų4354.6 Ų54.623%0.22530%0.302CS..Hα-helixtrans-59.6-42.5176.8-71.4173.3000111.2V89 K90 C95 L96 D97 A114V89-L93 HydrophobicContact CG1-CD1 4.08Å; V89-L93 HydrophobicContact CG1-CG 4.41Å; V89-L93 VanDerWaalsContact O-CG 3.28Å; V89-L93 WeakPolarHBondContact O-CG 3.41Å; V89-L93 PolarHBondContact O-N 3.41Å; K90-L93 PolarHBondContact O-N 3.16Å; L93-C95 VanDerWaalsContact C-N 3.32Å; L93-C95 PolarHBondContact O-N 3.36Å; L93-L96 PolarHBondContact O-N 3.3Å; L93-D97 VanDerWaalsContact O-CB 3.29Å; L93-D97 WeakPolarHBondContact O-CB 3.47Å; L93-D97 PolarHBondContact O-N 3.16Å; L93-A114 HydrophobicContact CD2-CB 3.86Å; L93-A114 WeakPolarHBondContact CD2-O 3.32Å
94A89.7Confident87.8Confident72 Ų7258.2 Ų58.260%0.59533%0.327SS*.Hα-helixtrans-64.8-33.9175.700000113.3K90 S91 F92K90-A94 PolarHBondContact O-N 3.27Å; S91-A94 PolarHBondContact O-N 3.2Å; F92-A94 VanDerWaalsContact C-N 3.31Å; F92-A94 PolarHBondContact O-N 2.98Å
95C89.9Confident87.6Confident45 Ų4559.5 Ų59.530%0.30435%0.353SS..Hα-helixtrans-79.4-24.9178.2-70.90000113.9S91 F92 L93 K99S91-C95 PolarHBondContact O-N 3.46Å; S91-C95 PolarHBondContact O-SG 3.38Å; F92-C95 PolarHBondContact O-N 2.99Å; F92-C95 VanDerWaalsContact O-N 3.14Å; L93-C95 VanDerWaalsContact C-N 3.32Å; L93-C95 PolarHBondContact O-N 3.36Å; C95-K99 VanDerWaalsContact O-CG 3.25Å; C95-K99 WeakPolarHBondContact O-CG 3.39Å
96L92.4Very high87.4Confident0 Ų060.2 Ų60.20%036%0.356CS..Hα-helixtrans-114-41.7-169.6-64.8171.6000113.6M30 I32 L55 M58 V59 F64 F92 L93 G98 K99 V112 A114M30-L96 HydrophobicContact SD-CD1 4.23Å; I32-L96 HydrophobicContact CD1-CD1 3.73Å; I32-L96 HydrophobicContact CG1-CD1 4.22Å; L55-L96 HydrophobicContact CD2-CD2 3.97Å; M58-L96 HydrophobicContact CB-CD2 3.89Å; M58-L96 HydrophobicContact CE-CD2 4.02Å; M58-L96 HydrophobicContact SD-CD2 4.19Å; V59-L96 HydrophobicContact CG2-CD1 4.08Å; V59-L96 HydrophobicContact CG2-CD2 3.89Å; V59-L96 HydrophobicContact CG2-CG 4.09Å; F64-L96 HydrophobicContact CZ-CD1 3.95Å; F92-L96 HydrophobicContact CB-CD1 4.36Å; F92-L96 HydrophobicContact CD1-CD1 4.12Å; F92-L96 VanDerWaalsContact O-CB 3.29Å; F92-L96 WeakPolarHBondContact O-CB 3.28Å; F92-L96 VanDerWaalsContact O-CG 3.29Å; F92-L96 WeakPolarHBondContact O-CG 3.23Å; F92-L96 PolarHBondContact O-N 2.98Å; L93-L96 PolarHBondContact O-N 3.3Å; L96-G98 PolarHBondContact O-N 3.05Å; L96-K99 WeakPolarHBondContact O-CB 3.46Å; L96-K99 PolarHBondContact O-N 3.44Å; L96-V112 HydrophobicContact CB-CG1 4.46Å; L96-V112 WeakPolarHBondContact O-CB 3.48Å; L96-V112 WeakPolarHBondContact O-CG1 3.32Å; L96-A114 HydrophobicContact CB-CB 3.86Å
97D92.6Very high87.2Confident72 Ų7259.3 Ų59.339%0.38537%0.365SS..THydrogen-bonded Turntrans-70.3134.8-173.3-168.842.4000111.7L93 K99 R113 A114L93-D97 VanDerWaalsContact O-CB 3.29Å; L93-D97 WeakPolarHBondContact O-CB 3.47Å; L93-D97 PolarHBondContact O-N 3.16Å; D97-K99 PolarHBondContact O-N 3.07Å; D97-K99 VanDerWaalsContact O-N 3.12Å; D97-R113 WeakPolarHBondContact OD1-CA 3.41Å; D97-A114 HydrophobicContact CB-CB 4.1Å; D97-A114 PolarHBondContact OD1-N 3.01Å
98G90.5Very high87.3Confident51 Ų5158.9 Ų58.953%0.52636%0.357SS..THydrogen-bonded Turntrans69.82-178.200000115L96 V112L96-G98 PolarHBondContact O-N 3.05Å; G98-V112 PolarHBondContact N-O 2.92Å
99K92.6Very high87.4Confident104 Ų10462.4 Ų62.445%0.45238%0.375SS..  trans-83.1172.8176.5-60.7-56.4-173.8178.30111.9M58 C95 L96 D97 V112M58-K99 HydrophobicContact CE-CB 3.33Å; M58-K99 HydrophobicContact CE-CG 3.9Å; C95-K99 VanDerWaalsContact O-CG 3.25Å; C95-K99 WeakPolarHBondContact O-CG 3.39Å; L96-K99 WeakPolarHBondContact O-CB 3.46Å; L96-K99 PolarHBondContact O-N 3.44Å; D97-K99 PolarHBondContact O-N 3.07Å; D97-K99 VanDerWaalsContact O-N 3.12Å; K99-V112 WeakPolarHBondContact O-CB 3.11Å; K99-V112 PolarHBondContact O-N 3.4Å
100T92.5Very high87.6Confident84 Ų8462.3 Ų62.352%0.51537%0.374SS..EExtended strand (participates in β ladder)trans-131.2140.5-175.655.20000112.5I109 L110T100-I109 HydrophobicContact CG2-CG2 3.6Å; T100-L110 CarbonylContact C-O 3.58Å; T100-L110 WeakPolarHBondContact CA-O 3.48Å
101I91.5Very high87.9Confident6 Ų661.2 Ų61.23%0.03137%0.369CS..EExtended strand (participates in β ladder)trans-109.3133.1175.4-64.7168.5000108.8R54 L55 M58 L103 L110 V112R54-I101 HydrophobicContact CB-CD1 4.01Å; R54-I101 HydrophobicContact CB-CG1 4.25Å; R54-I101 HydrophobicContact CB-CG2 3.62Å; R54-I101 HydrophobicContact CG-CG2 3.71Å; L55-I101 HydrophobicContact CD2-CD1 3.77Å; L55-I101 HydrophobicContact CG-CD1 3.98Å; M58-I101 HydrophobicContact SD-CD1 3.95Å; M58-I101 HydrophobicContact SD-CG1 3.64Å; I101-L103 HydrophobicContact CG2-CD2 3.67Å; I101-L103 HydrophobicContact CG2-CG 4.3Å; I101-L110 HydrophobicContact CB-CB 4.29Å; I101-L110 PolarHBondContact N-O 3.13Å; I101-L110 PolarHBondContact O-N 3.44Å; I101-V112 HydrophobicContact CD1-CG2 3.58Å; I101-V112 HydrophobicContact CG1-CG2 3.74Å
102K89.3Confident88.2Confident143 Ų14359.1 Ų59.162%0.62235%0.354SS*.EExtended strand (participates in β ladder)trans-106.9121.2168.5-171.5175.6-178178.20108.8
103L86.4Confident88.4Confident5 Ų567.1 Ų67.13%0.02639%0.385CS..  trans-91.8153.4178.4-61.8-175.6000111.3I46 E50 V51 R54 I101 F106 L110I46-L103 HydrophobicContact CB-CD1 4.25Å; I46-L103 HydrophobicContact CD1-CD1 4.2Å; I46-L103 HydrophobicContact CG1-CD1 3.98Å; I46-L103 HydrophobicContact CG2-CD1 3.38Å; E50-L103 HydrophobicContact CG-CD2 3.95Å; V51-L103 HydrophobicContact CG2-CD1 3.99Å; V51-L103 HydrophobicContact CG2-CD2 4.27Å; R54-L103 HydrophobicContact CG-CD2 4.02Å; I101-L103 HydrophobicContact CG2-CD2 3.67Å; I101-L103 HydrophobicContact CG2-CG 4.3Å; L103-F106 HydrophobicContact CB-CB 4.46Å; L103-F106 HydrophobicContact CB-CD2 3.98Å; L103-F106 HydrophobicContact CD1-CD2 4.49Å; L103-L110 HydrophobicContact CD1-CD1 3.5Å; L103-L110 HydrophobicContact CD1-CG 4.49Å; L103-L110 HydrophobicContact CD2-CD1 4.45Å; L103-L110 HydrophobicContact CG-CD1 3.77Å; L103-L110 HydrophobicContact CG-CG 4.46Å
104S82.2Confident88.5Confident77 Ų7765.4 Ų65.454%0.53838%0.377SS..THydrogen-bonded Turntrans-70132.517559.50000110E50 F106E50-S104 PolarHBondContact OE1-N 3.03Å; E50-S104 PolarHBondContact OE1-OG 3.34Å; S104-F106 VanDerWaalsContact C-N 3.33Å; S104-F106 WeakPolarHBondContact O-CD2 3.21Å; S104-F106 PolarHBondContact O-N 2.95Å
105G77.8Confident88.6Confident74 Ų7464.7 Ų64.776%0.76337%0.37SS*.THydrogen-bonded Turntrans80.72.8-179.800000116.4
106F78.4Confident88.5Confident34 Ų3468.1 Ų68.115%0.14938%0.382CS..  trans-120.6135.2173.5-64.1-88.5000111.1L39 K44 I46 L103 S104L39-F106 HydrophobicContact CD2-CD1 3.78Å; L39-F106 HydrophobicContact CD2-CE1 3.45Å; L39-F106 VanDerWaalsContact CD2-CE1 3.45Å; K44-F106 HydrophobicContact CB-CE1 4.21Å; K44-F106 HydrophobicContact CB-CZ 4.39Å; I46-F106 HydrophobicContact CD1-CE1 4.48Å; I46-F106 HydrophobicContact CG1-CD1 4.33Å; I46-F106 HydrophobicContact CG1-CD2 4.29Å; I46-F106 HydrophobicContact CG1-CE1 3.9Å; I46-F106 HydrophobicContact CG1-CE2 3.85Å; I46-F106 HydrophobicContact CG1-CZ 3.64Å; L103-F106 HydrophobicContact CB-CB 4.46Å; L103-F106 HydrophobicContact CB-CD2 3.98Å; L103-F106 HydrophobicContact CD1-CD2 4.49Å; S104-F106 VanDerWaalsContact C-N 3.33Å; S104-F106 WeakPolarHBondContact O-CD2 3.21Å; S104-F106 PolarHBondContact O-N 2.95Å
107S77.7Confident88.1Confident106 Ų10671.7 Ų71.774%0.74140%0.398SS*.  trans-77.8-25.9173.450.60000112.4
108D83Confident87.4Confident67 Ų6776.8 Ų76.836%0.35842%0.417SS..SBendtrans-77.5142.2-173-59.7-37.1000111.8P37P37-D108 HydrophobicContact CB-CB 3.62Å; P37-D108 WeakPolarHBondContact CB-OD2 3.47Å; P37-D108 HydrophobicContact CG-CB 3.76Å
109I86.6Confident86.9Confident110 Ų11076.8 Ų76.856%0.56440%0.404SS*.EExtended strand (participates in β ladder)trans-96.2123.2-179.3-59174.6000108.5T100T100-I109 HydrophobicContact CG2-CG2 3.6Å
110L90.3Very high86.4Confident2 Ų279.5 Ų79.51%0.0142%0.423CS..EExtended strand (participates in β ladder)trans-86.5126.3-179.6-49.6-170.2000110.1V34 L36 P37 I46 V51 T100 I101 L103V34-L110 HydrophobicContact CG1-CB 3.78Å; V34-L110 HydrophobicContact CG1-CD1 3.97Å; L36-L110 HydrophobicContact CD2-CD1 4.24Å; P37-L110 VanDerWaalsContact CD-CD2 3.5Å; P37-L110 HydrophobicContact CG-CD2 3.94Å; I46-L110 HydrophobicContact CD1-CD2 4.31Å; V51-L110 HydrophobicContact CG2-CD1 4.28Å; T100-L110 CarbonylContact C-O 3.58Å; T100-L110 WeakPolarHBondContact CA-O 3.48Å; I101-L110 HydrophobicContact CB-CB 4.29Å; I101-L110 PolarHBondContact N-O 3.13Å; I101-L110 PolarHBondContact O-N 3.44Å; L103-L110 HydrophobicContact CD1-CD1 3.5Å; L103-L110 HydrophobicContact CD1-CG 4.49Å; L103-L110 HydrophobicContact CD2-CD1 4.45Å; L103-L110 HydrophobicContact CG-CD1 3.77Å; L103-L110 HydrophobicContact CG-CG 4.46Å
111K92.6Very high86.2Confident146 Ų14676.5 Ų76.564%0.63540%0.403SS*.EExtended strand (participates in β ladder)trans-86.6130.7177.4-66.5-179.3-178.9177.10110.3V34 A35V34-K111 WeakPolarHBondContact CA-O 3.46Å; A35-K111 HydrophobicContact CB-CB 4.39Å; A35-K111 PolarHBondContact N-O 2.92Å
112V95.4Very high86.2Confident0 Ų077.4 Ų77.40%041%0.409CS..EExtended strand (participates in β ladder)trans-100.5132.3176.5-173.30000109.2I32 V34 L55 L96 G98 K99 I101I32-V112 HydrophobicContact CG2-CG1 3.67Å; V34-V112 HydrophobicContact CG2-CG2 4.31Å; L55-V112 HydrophobicContact CD2-CG1 3.93Å; L55-V112 HydrophobicContact CD2-CG2 4.3Å; L96-V112 HydrophobicContact CB-CG1 4.46Å; L96-V112 WeakPolarHBondContact O-CB 3.48Å; L96-V112 WeakPolarHBondContact O-CG1 3.32Å; G98-V112 PolarHBondContact N-O 2.92Å; K99-V112 WeakPolarHBondContact O-CB 3.11Å; K99-V112 PolarHBondContact O-N 3.4Å; I101-V112 HydrophobicContact CD1-CG2 3.58Å; I101-V112 HydrophobicContact CG1-CG2 3.74Å
113R94.3Very high86.4Confident169 Ų16973 Ų7364%0.63840%0.395SS*.EExtended strand (participates in β ladder)trans-123.3122.4171.8-69.1-67.1-120.7-149.7-0.4108.5I32 S33 D97I32-R113 CarbonylContact C-O 3.43Å; I32-R113 WeakPolarHBondContact CA-O 3.46Å; S33-R113 PolarHBondContact N-O 2.95Å; S33-R113 PolarHBondContact O-N 3.31Å; D97-R113 WeakPolarHBondContact OD1-CA 3.41Å
114A93.1Very high86.7Confident7 Ų779.9 Ų79.96%0.05842%0.42CS..EExtended strand (participates in β ladder)trans-121.3136.5178.500000109.9T31 I32 L93 L96 D97T31-A114 CarbonylContact O-C 3.57Å; T31-A114 WeakPolarHBondContact O-CA 3.3Å; I32-A114 HydrophobicContact CG1-CB 4.18Å; L93-A114 HydrophobicContact CD2-CB 3.86Å; L93-A114 WeakPolarHBondContact CD2-O 3.32Å; L96-A114 HydrophobicContact CB-CB 3.86Å; D97-A114 HydrophobicContact CB-CB 4.1Å; D97-A114 PolarHBondContact OD1-N 3.01Å
115A91.3Very high87.2Confident56 Ų5682.3 Ų82.346%0.46342%0.423SS..EExtended strand (participates in β ladder)trans-141.4148.8177.800000110.3M30 T31 F117M30-A115 CarbonylContact C-O 3.5Å; M30-A115 WeakPolarHBondContact CA-O 3.45Å; M30-A115 WeakPolarHBondContact CB-O 3.49Å; T31-A115 PolarHBondContact N-O 2.98Å; T31-A115 PolarHBondContact O-N 3.32Å; A115-F117 PolarHBondContact O-N 3.37Å
116E87.9Confident87.9Confident117 Ų11782 Ų8255%0.54740%0.404SS..EExtended strand (participates in β ladder)trans-61.2133.8171.6-170.4172.2-174.400109.6V89 K118V89-E116 HydrophobicContact CG1-CG 4.34Å; E116-K118 PolarHBondContact O-N 3.09Å
117F84.2Confident88.6Confident75 Ų7581.1 Ų81.133%0.32940%0.4SS..  trans-79.1120.6-178.4-176.8-103000109.5K29 T31 A115 I119K29-F117 HydrophobicContact CB-CB 3.68Å; K29-F117 HydrophobicContact CB-CD1 4.04Å; K29-F117 HydrophobicContact CB-CG 4.15Å; K29-F117 HydrophobicContact CD-CD1 4.2Å; K29-F117 WeakPolarHBondContact O-CB 3.42Å; K29-F117 PolarHBondContact O-N 3.41Å; T31-F117 WeakPolarHBondContact OG1-CD2 3.39Å; A115-F117 PolarHBondContact O-N 3.37Å; F117-I119 HydrophobicContact CD1-CG1 4.1Å; F117-I119 HydrophobicContact CE1-CG1 4.46Å; F117-I119 PolarHBondContact O-N 3.2Å
118K78.8Confident89.3Confident180 Ų18078.3 Ų78.378%0.78338%0.376SS*.  trans-76.5108.7171.2-167.7178.7-180-173.70108.5E116 D120E116-K118 PolarHBondContact O-N 3.09Å; K118-D120 PolarHBondContact O-N 3.23Å
119I80.1Confident89.7Confident51 Ų5176.2 Ų76.226%0.26237%0.367SS..  trans-64.5127.7175.1-61.2169.9000108.2I27 F117 F121I27-I119 HydrophobicContact CB-CD1 3.59Å; I27-I119 HydrophobicContact CD1-CD1 4.41Å; I27-I119 HydrophobicContact CG2-CD1 3.65Å; I27-I119 HydrophobicContact CG2-CG1 4.45Å; F117-I119 HydrophobicContact CD1-CG1 4.1Å; F117-I119 HydrophobicContact CE1-CG1 4.46Å; F117-I119 PolarHBondContact O-N 3.2Å; I119-F121 PolarHBondContact O-N 2.96Å
120D80.8Confident90Very high161 Ų16174.1 Ų74.186%0.86135%0.354SS*.  trans-70.9110.7172.9-169.122.4000108.6K118K118-D120 PolarHBondContact O-N 3.23Å
121F89.3Confident90Very high20 Ų2074.4 Ų74.49%0.08836%0.355CS..  trans-149.9132.9-176.7-169.7-86000108.3I119 T123 M231 R235 V255I119-F121 PolarHBondContact O-N 2.96Å; F121-T123 PolarHBondContact O-N 3.45Å; F121-M231 HydrophobicContact CE1-CE 3.79Å; F121-M231 WeakPolarHBondContact CE1-O 3.34Å; F121-M231 HydrophobicContact CZ-CE 3.91Å; F121-M231 WeakPolarHBondContact CZ-O 3.09Å; F121-M231 HydrophobicContact CZ-SD 4.15Å; F121-R235 HydrophobicContact CB-CG 4.27Å; F121-R235 HydrophobicContact CD1-CB 3.86Å; F121-R235 HydrophobicContact CD1-CG 3.59Å; F121-R235 HydrophobicContact CD2-CB 4.36Å; F121-R235 HydrophobicContact CD2-CG 4.34Å; F121-R235 HydrophobicContact CE1-CB 3.73Å; F121-R235 HydrophobicContact CE1-CG 4Å; F121-R235 HydrophobicContact CE2-CB 4.17Å; F121-R235 HydrophobicContact CG-CB 4.21Å; F121-R235 HydrophobicContact CG-CG 3.81Å; F121-R235 HydrophobicContact CZ-CB 3.89Å; F121-V255 HydrophobicContact CE2-CB 3.79Å; F121-V255 HydrophobicContact CE2-CG1 4.15Å; F121-V255 HydrophobicContact CZ-CB 4.39Å; F121-V255 HydrophobicContact CZ-CG1 4.25Å
122P91.8Very high89.8Confident25 Ų2574 Ų7416%0.16235%0.349CS..  trans-55.1134.9-179.5-25.534.5000111.9W127 M231 F257P122-W127 HydrophobicContact CB-CE3 4.06Å; P122-W127 HydrophobicContact CB-CZ3 4.25Å; P122-W127 VanDerWaalsContact O-CZ3 3.25Å; P122-W127 WeakPolarHBondContact O-CZ3 3.38Å; P122-M231 HydrophobicContact CB-CE 4.04Å; P122-M231 HydrophobicContact CG-CE 4.27Å; P122-F257 HydrophobicContact CB-CD1 3.96Å; P122-F257 HydrophobicContact CB-CE1 4.11Å; P122-F257 HydrophobicContact CG-CD1 4.25Å; P122-F257 HydrophobicContact CG-CE1 4.49Å
123T92.2Very high89.6Confident52 Ų5279 Ų7932%0.31938%0.376SS..  trans-93.4164174.471.60000110.6F121 H125 D126 W127F121-T123 PolarHBondContact O-N 3.45Å; T123-H125 PolarHBondContact O-N 3.48Å; T123-D126 WeakPolarHBondContact CA-OD2 3.25Å; T123-D126 WeakPolarHBondContact CB-OD2 3.38Å; T123-D126 PolarHBondContact N-OD2 3.39Å; T123-D126 WeakPolarHBondContact O-CB 3.48Å; T123-D126 PolarHBondContact O-N 3.39Å; T123-D126 PolarHBondContact OG1-N 2.97Å; T123-D126 PolarHBondContact OG1-OD1 3.36Å; T123-D126 PolarHBondContact OG1-OD2 2.99Å; T123-W127 VanDerWaalsContact O-CZ3 3.31Å; T123-W127 WeakPolarHBondContact O-CZ3 3.35Å; T123-W127 PolarHBondContact O-N 2.94Å
124R92.9Very high89.3Confident148 Ų14871.9 Ų71.956%0.55835%0.353SS*.Hα-helixtrans-54.7-39.4175.3-179.3172.3177.7178.84.1113.7D126 W127 D128R124-D126 VanDerWaalsContact C-N 3.27Å; R124-D126 PolarHBondContact O-N 3.31Å; R124-W127 HydrophobicContact CB-CH2 4.05Å; R124-W127 HydrophobicContact CB-CZ2 3.53Å; R124-W127 HydrophobicContact CG-CZ2 3.89Å; R124-D128 WeakPolarHBondContact CG-OD2 3.48Å; R124-D128 IonicContact NE-OD2 2.76Å; R124-D128 PolarHBondContact NE-OD2 3.35Å; R124-D128 VanDerWaalsContact NE-OD2 3.11Å; R124-D128 VanDerWaalsContact O-CB 3.24Å; R124-D128 WeakPolarHBondContact O-CB 3.48Å; R124-D128 VanDerWaalsContact O-CG 3.22Å; R124-D128 PolarHBondContact O-N 2.88Å
125H93.1Very high88.8Confident129 Ų12981.6 Ų81.660%0.59739%0.394SS*.Hα-helixtrans-61.9-37.2175.1-175.571.4000112.3T123 S129T123-H125 PolarHBondContact O-N 3.48Å; H125-S129 WeakPolarHBondContact O-CB 3.33Å; H125-S129 PolarHBondContact O-N 3.43Å; H125-S129 PolarHBondContact O-OG 3.03Å
126D93.1Very high88.5Confident67 Ų6784 Ų8436%0.35840%0.399SS..Hα-helixtrans-66-46-176-57.4-36.6000111.7T123 R124 S129 F130T123-D126 WeakPolarHBondContact CA-OD2 3.25Å; T123-D126 WeakPolarHBondContact CB-OD2 3.38Å; T123-D126 PolarHBondContact N-OD2 3.39Å; T123-D126 WeakPolarHBondContact O-CB 3.48Å; T123-D126 PolarHBondContact O-N 3.39Å; T123-D126 PolarHBondContact OG1-N 2.97Å; T123-D126 PolarHBondContact OG1-OD1 3.36Å; T123-D126 PolarHBondContact OG1-OD2 2.99Å; R124-D126 VanDerWaalsContact C-N 3.27Å; R124-D126 PolarHBondContact O-N 3.31Å; D126-S129 PolarHBondContact O-OG 3.17Å; D126-S129 VanDerWaalsContact O-OG 3.06Å; D126-F130 VanDerWaalsContact O-CB 3.31Å; D126-F130 WeakPolarHBondContact O-CB 3.44Å; D126-F130 PolarHBondContact O-N 3.41Å; D126-F130 VanDerWaalsContact O-N 3.11Å
127W93Very high88.3Confident16 Ų1679.5 Ų79.56%0.06138%0.379CS..Hα-helixtrans-77.5-40.5176.962.673.9000112.5P122 T123 R124 S129 F130 F131 P146 F227 I228 M231 F257P122-W127 HydrophobicContact CB-CE3 4.06Å; P122-W127 HydrophobicContact CB-CZ3 4.25Å; P122-W127 VanDerWaalsContact O-CZ3 3.25Å; P122-W127 WeakPolarHBondContact O-CZ3 3.38Å; T123-W127 VanDerWaalsContact O-CZ3 3.31Å; T123-W127 WeakPolarHBondContact O-CZ3 3.35Å; T123-W127 PolarHBondContact O-N 2.94Å; R124-W127 HydrophobicContact CB-CH2 4.05Å; R124-W127 HydrophobicContact CB-CZ2 3.53Å; R124-W127 HydrophobicContact CG-CZ2 3.89Å; W127-S129 PolarHBondContact O-N 2.97Å; W127-F130 PolarHBondContact O-N 3.43Å; W127-F131 HydrophobicContact CB-CD2 4.3Å; W127-F131 HydrophobicContact CB-CE2 4.25Å; W127-F131 WeakPolarHBondContact O-CD2 3.37Å; W127-F131 PolarHBondContact O-N 3.36Å; W127-P146 HydrophobicContact CG-CB 4.39Å; W127-F227 AromaticContact CD2-CE1 3.98Å; W127-F227 HydrophobicContact CD2-CE1 3.98Å; W127-F227 HydrophobicContact CD2-CZ 4.24Å; W127-F227 AromaticContact CE2-CE1 3.8Å; W127-F227 HydrophobicContact CG-CE1 4.14Å; W127-F227 HydrophobicContact CG-CZ 4.33Å; W127-F227 HydrophobicContact CZ2-CE1 4.33Å; W127-F227 AromaticContact NE1-CE1 3.89Å; W127-I228 HydrophobicContact CH2-CD1 4.5Å; W127-I228 HydrophobicContact CZ2-CD1 3.42Å; W127-I228 VanDerWaalsContact CZ2-CD1 3.42Å; W127-M231 HydrophobicContact CE3-CE 3.88Å; W127-M231 HydrophobicContact CH2-CB 4.15Å; W127-M231 HydrophobicContact CH2-CE 4.48Å; W127-M231 HydrophobicContact CZ3-CB 4.39Å; W127-M231 HydrophobicContact CZ3-CE 3.6Å; W127-F257 HydrophobicContact CB-CB 4.47Å; W127-F257 HydrophobicContact CB-CD1 3.74Å; W127-F257 HydrophobicContact CB-CD2 4.24Å; W127-F257 HydrophobicContact CB-CE1 3.93Å; W127-F257 HydrophobicContact CB-CE2 4.41Å; W127-F257 HydrophobicContact CB-CG 3.9Å; W127-F257 HydrophobicContact CB-CZ 4.26Å
128D90.9Very high88.5Confident47 Ų4779.2 Ų79.225%0.25138%0.38SS..Hα-helixtrans-63.4-33.1178.8-70.4-10.7000110.9R124 R132 Y224R124-D128 WeakPolarHBondContact CG-OD2 3.48Å; R124-D128 IonicContact NE-OD2 2.76Å; R124-D128 PolarHBondContact NE-OD2 3.35Å; R124-D128 VanDerWaalsContact NE-OD2 3.11Å; R124-D128 VanDerWaalsContact O-CB 3.24Å; R124-D128 WeakPolarHBondContact O-CB 3.48Å; R124-D128 VanDerWaalsContact O-CG 3.22Å; R124-D128 PolarHBondContact O-N 2.88Å; D128-R132 VanDerWaalsContact O-CB 3.25Å; D128-R132 WeakPolarHBondContact O-CB 3.3Å; D128-R132 PolarHBondContact O-N 2.96Å; D128-Y224 PolarHBondContact OD1-OH 3.09Å; D128-Y224 VanDerWaalsContact OD1-OH 3.12Å
129S92.6Very high88.8Confident23 Ų2376 Ų7616%0.16137%0.368CS..Hα-helixtrans-73.7-44.4173.259.20000112.8H125 D126 W127 F131 R132 D133H125-S129 WeakPolarHBondContact O-CB 3.33Å; H125-S129 PolarHBondContact O-N 3.43Å; H125-S129 PolarHBondContact O-OG 3.03Å; D126-S129 PolarHBondContact O-OG 3.17Å; D126-S129 VanDerWaalsContact O-OG 3.06Å; W127-S129 PolarHBondContact O-N 2.97Å; S129-F131 PolarHBondContact O-N 3.5Å; S129-R132 PolarHBondContact O-N 3.43Å; S129-D133 VanDerWaalsContact O-CB 3.3Å; S129-D133 WeakPolarHBondContact O-CB 3.47Å; S129-D133 PolarHBondContact O-N 2.85Å
130F92.4Very high89.1Confident65 Ų6578.5 Ų78.529%0.28539%0.386SS..Hα-helixtrans-55.9-51.4177.9175-93.7000112.1D126 W127 D133 A134 M137 F257D126-F130 VanDerWaalsContact O-CB 3.31Å; D126-F130 WeakPolarHBondContact O-CB 3.44Å; D126-F130 PolarHBondContact O-N 3.41Å; D126-F130 VanDerWaalsContact O-N 3.11Å; W127-F130 PolarHBondContact O-N 3.43Å; F130-D133 PolarHBondContact O-N 3.2Å; F130-A134 WeakPolarHBondContact O-CB 3.41Å; F130-A134 PolarHBondContact O-N 2.99Å; F130-M137 HydrophobicContact CE1-CE 4Å; F130-M137 HydrophobicContact CZ-CE 4.09Å; F130-F257 HydrophobicContact CB-CE2 3.98Å; F130-F257 HydrophobicContact CB-CZ 3.97Å; F130-F257 HydrophobicContact CD1-CD2 4.34Å; F130-F257 AromaticContact CD1-CE2 3.53Å; F130-F257 HydrophobicContact CD1-CE2 3.53Å; F130-F257 HydrophobicContact CD1-CZ 4.36Å; F130-F257 HydrophobicContact CD2-CE2 4.34Å; F130-F257 HydrophobicContact CE1-CE2 4.1Å; F130-F257 AromaticContact CG-CE2 3.67Å; F130-F257 HydrophobicContact CG-CE2 3.67Å; F130-F257 HydrophobicContact CG-CZ 4.05Å
131F89.8Confident89.6Confident8 Ų874.3 Ų74.34%0.03536%0.363CS..Hα-helixtrans-71.2-31.6-176.4-73.4-72.9000113.3W127 S129 M137 E144 R145 P146 F257 D258W127-F131 HydrophobicContact CB-CD2 4.3Å; W127-F131 HydrophobicContact CB-CE2 4.25Å; W127-F131 WeakPolarHBondContact O-CD2 3.37Å; W127-F131 PolarHBondContact O-N 3.36Å; S129-F131 PolarHBondContact O-N 3.5Å; F131-M137 HydrophobicContact CD1-CG 4.43Å; F131-M137 HydrophobicContact CE1-SD 4.31Å; F131-E144 WeakPolarHBondContact CD1-O 3.3Å; F131-R145 WeakPolarHBondContact CZ-O 3.49Å; F131-P146 HydrophobicContact CD2-CB 3.73Å; F131-P146 HydrophobicContact CD2-CG 3.56Å; F131-P146 HydrophobicContact CE2-CB 3.65Å; F131-P146 HydrophobicContact CE2-CG 4.01Å; F131-P146 HydrophobicContact CG-CG 4.17Å; F131-F257 AromaticContact CE2-CD2 3.78Å; F131-F257 HydrophobicContact CE2-CD2 3.78Å; F131-F257 HydrophobicContact CE2-CE2 4.27Å; F131-F257 HydrophobicContact CZ-CD2 4.1Å; F131-D258 WeakPolarHBondContact CZ-O 3.35Å
132R89.3Confident89.7Confident138 Ų13874.1 Ų74.152%0.52136%0.364SS..Hα-helixtrans-70.1-40.1175-177-171.362.7-115.1-5.1112.4D128 S129D128-R132 VanDerWaalsContact O-CB 3.25Å; D128-R132 WeakPolarHBondContact O-CB 3.3Å; D128-R132 PolarHBondContact O-N 2.96Å; S129-R132 PolarHBondContact O-N 3.43Å
133D90.3Very high89.7Confident104 Ų10473.1 Ų73.156%0.55636%0.358SS*.Hα-helixtrans-92.6-14.7-170.7-56.5-21000112.2S129 F130 K135S129-D133 VanDerWaalsContact O-CB 3.3Å; S129-D133 WeakPolarHBondContact O-CB 3.47Å; S129-D133 PolarHBondContact O-N 2.85Å; F130-D133 PolarHBondContact O-N 3.2Å; D133-K135 PolarHBondContact O-N 3.34Å
134A87.8Confident89.7Confident20 Ų2071.7 Ų71.717%0.16535%0.348CS..  trans-72.9111.4177.600000112.2F130 D136 M137F130-A134 WeakPolarHBondContact O-CB 3.41Å; F130-A134 PolarHBondContact O-N 2.99Å; A134-D136 PolarHBondContact O-N 3.34Å; A134-M137 HydrophobicContact CB-CB 3.97Å; A134-M137 HydrophobicContact CB-CG 3.57Å; A134-M137 PolarHBondContact O-N 2.97Å
135K83.2Confident89.7Confident212 Ų21267.8 Ų67.892%0.92233%0.333SS*.THydrogen-bonded Turntrans-67-21.7-176.7-66-175.9179.6-179.60114.6D133D133-K135 PolarHBondContact O-N 3.34Å
136D84.6Confident89.8Confident105 Ų10562.3 Ų62.356%0.56131%0.309SS*.THydrogen-bonded Turntrans-100-1.6-175.967.3-54000113A134 K261A134-D136 PolarHBondContact O-N 3.34Å; D136-K261 VanDerWaalsContact O-CE 3.26Å; D136-K261 WeakPolarHBondContact O-CE 3.48Å; D136-K261 PolarHBondContact O-NZ 3.02Å; D136-K261 WeakPolarHBondContact OD2-CE 3.41Å; D136-K261 IonicContact OD2-NZ 3.4Å; D136-K261 PolarHBondContact OD2-NZ 2.92Å
137M85.4Confident89.9Confident24 Ų2459.1 Ų59.112%0.11829%0.292CS..  trans-99144.8179.9-65.7-76.7178.200111.3F130 F131 A134 E144 S259 K261F130-M137 HydrophobicContact CE1-CE 4Å; F130-M137 HydrophobicContact CZ-CE 4.09Å; F131-M137 HydrophobicContact CD1-CG 4.43Å; F131-M137 HydrophobicContact CE1-SD 4.31Å; A134-M137 HydrophobicContact CB-CB 3.97Å; A134-M137 HydrophobicContact CB-CG 3.57Å; A134-M137 PolarHBondContact O-N 2.97Å; M137-E144 HydrophobicContact SD-CB 4.02Å; M137-E144 HydrophobicContact SD-CG 4.4Å; M137-S259 VanDerWaalsContact CE-O 3.27Å; M137-S259 WeakPolarHBondContact CE-O 3.47Å; M137-K261 HydrophobicContact CE-CD 4.14Å; M137-K261 HydrophobicContact CE-CG 3.47Å; M137-K261 VanDerWaalsContact CE-CG 3.47Å; M137-K261 HydrophobicContact SD-CD 3.9Å; M137-K261 WeakPolarHBondContact SD-CE 3.34Å; M137-K261 HydrophobicContact SD-CG 3.48Å; M137-K261 WeakPolarHBondContact SD-CG 3.37Å
138N86.6Confident90.1Very high68 Ų6858.5 Ų58.536%0.36429%0.29SS..  trans-120.5110.5172.4-175.5-12.6000111.3T140 L141 E144N138-T140 VanDerWaalsContact CG-OG1 3.29Å; N138-T140 PolarHBondContact ND2-OG1 2.65Å; N138-T140 PolarHBondContact O-N 2.9Å; N138-T140 WeakPolarHBondContact OD1-CB 3.43Å; N138-T140 PolarHBondContact OD1-N 3.48Å; N138-T140 PolarHBondContact OD1-OG1 3.37Å; N138-L141 HydrophobicContact CB-CB 4.3Å; N138-L141 HydrophobicContact CB-CD1 3.92Å; N138-L141 HydrophobicContact CB-CG 3.98Å; N138-L141 WeakPolarHBondContact O-CB 3.36Å; N138-L141 PolarHBondContact O-N 2.92Å; N138-E144 PolarHBondContact N-OE2 2.94Å; N138-E144 WeakPolarHBondContact O-CB 3.33Å
139E85Confident90.5Very high112 Ų11256.3 Ų56.352%0.52328%0.278SS..THydrogen-bonded Turntrans-58.8-22.1-178.4-66.4-175.2-177.800114.3L141 R145E139-L141 VanDerWaalsContact C-N 3.29Å; E139-R145 WeakPolarHBondContact O-CB 3.35Å; E139-R145 WeakPolarHBondContact O-CD 3.25Å
140T86.6Confident90.7Very high104 Ų10456.1 Ų56.164%0.63828%0.275SS*.THydrogen-bonded Turntrans-76.5-20.9176.366.90000112.4N138 R145N138-T140 VanDerWaalsContact CG-OG1 3.29Å; N138-T140 PolarHBondContact ND2-OG1 2.65Å; N138-T140 PolarHBondContact O-N 2.9Å; N138-T140 WeakPolarHBondContact OD1-CB 3.43Å; N138-T140 PolarHBondContact OD1-N 3.48Å; N138-T140 PolarHBondContact OD1-OG1 3.37Å; T140-R145 PolarHBondContact O-NH1 3.39Å
141L91.4Very high90.9Very high74 Ų7453 Ų5339%0.38726%0.261SS..SBendtrans-91.9133.7-177.4-63.3-177.9000111.6N138 E139 G143 E144N138-L141 HydrophobicContact CB-CB 4.3Å; N138-L141 HydrophobicContact CB-CD1 3.92Å; N138-L141 HydrophobicContact CB-CG 3.98Å; N138-L141 WeakPolarHBondContact O-CB 3.36Å; N138-L141 PolarHBondContact O-N 2.92Å; E139-L141 VanDerWaalsContact C-N 3.29Å; L141-G143 PolarHBondContact O-N 3.29Å; L141-E144 HydrophobicContact CB-CB 4.26Å; L141-E144 HydrophobicContact CB-CG 4.3Å; L141-E144 PolarHBondContact O-N 3.17Å
142P92.8Very high91.1Very high16 Ų1655.4 Ų55.410%0.10427%0.272CS..THydrogen-bonded Turntrans-59133.7172.3-22.333.1000111.8E144 D147 R185P142-E144 PolarHBondContact O-N 2.93Å; P142-D147 WeakPolarHBondContact CA-OD2 3.5Å; P142-R185 VanDerWaalsContact CB-CZ 3.43Å
143G90.6Very high91.2Very high3 Ų349.9 Ų49.93%0.03126%0.258CS..THydrogen-bonded Turntrans79.10.8-179.300000114.5L141 D147 K261L141-G143 PolarHBondContact O-N 3.29Å; G143-D147 WeakPolarHBondContact CA-OD1 3.49Å; G143-D147 PolarHBondContact N-OD1 2.92Å; G143-D147 PolarHBondContact N-OD2 3.33Å; G143-K261 WeakPolarHBondContact O-CA 3.34Å
144E93.3Very high91.4Very high23 Ų2344.9 Ų44.911%0.10723%0.232CC..SBendtrans-116.916.3170.4-57.4-168.9-164.400111.9F131 M137 N138 L141 P142 K261F131-E144 WeakPolarHBondContact CD1-O 3.3Å; M137-E144 HydrophobicContact SD-CB 4.02Å; M137-E144 HydrophobicContact SD-CG 4.4Å; N138-E144 PolarHBondContact N-OE2 2.94Å; N138-E144 WeakPolarHBondContact O-CB 3.33Å; L141-E144 HydrophobicContact CB-CB 4.26Å; L141-E144 HydrophobicContact CB-CG 4.3Å; L141-E144 PolarHBondContact O-N 3.17Å; P142-E144 PolarHBondContact O-N 2.93Å; E144-K261 HydrophobicContact CG-CB 4.46Å; E144-K261 HydrophobicContact CG-CD 3.92Å; E144-K261 HydrophobicContact CG-CG 4.01Å
145R92.9Very high91.6Very high65 Ų6544.6 Ų44.625%0.24523%0.228CC..SBendtrans-135.3170179.671-167.4179-172.17.2108.7F131 E139 T140 D147 R222F131-R145 WeakPolarHBondContact CZ-O 3.49Å; E139-R145 WeakPolarHBondContact O-CB 3.35Å; E139-R145 WeakPolarHBondContact O-CD 3.25Å; T140-R145 PolarHBondContact O-NH1 3.39Å; R145-D147 HydrophobicContact CG-CB 3.91Å; R145-D147 VanDerWaalsContact CG-OD2 3.23Å; R145-D147 WeakPolarHBondContact CG-OD2 3.29Å; R145-D147 IonicContact CZ-OD2 3.43Å; R145-D147 IonicContact NE-OD2 3.7Å; R145-D147 PolarHBondContact NE-OD2 3.42Å; R145-D147 IonicContact NH2-OD2 3.69Å; R145-D147 PolarHBondContact O-N 2.85Å; R145-R222 PolarHBondContact NH2-O 3.16Å
146P94.2Very high92Very high14 Ų1434.6 Ų34.69%0.09118%0.184CC..THydrogen-bonded Turntrans-71.872.4176.513.3-8.1000111.8W127 F131 Y224 F227W127-P146 HydrophobicContact CG-CB 4.39Å; F131-P146 HydrophobicContact CD2-CB 3.73Å; F131-P146 HydrophobicContact CD2-CG 3.56Å; F131-P146 HydrophobicContact CE2-CB 3.65Å; F131-P146 HydrophobicContact CE2-CG 4.01Å; F131-P146 HydrophobicContact CG-CG 4.17Å; P146-Y224 HydrophobicContact CB-CD2 4.35Å; P146-Y224 HydrophobicContact CB-CE2 4Å; P146-Y224 HydrophobicContact CG-CD2 4.3Å; P146-Y224 HydrophobicContact CG-CE2 3.89Å; P146-Y224 WeakPolarHBondContact O-CD2 3.41Å; P146-F227 HydrophobicContact CB-CD1 4.09Å; P146-F227 HydrophobicContact CB-CE1 3.69Å; P146-F227 HydrophobicContact CB-CZ 4.02Å; P146-F227 WeakPolarHBondContact O-CB 3.24Å; P146-F227 WeakPolarHBondContact O-CD1 3.28Å; P146-F227 WeakPolarHBondContact O-CG 3.29Å
147D96.1Very high92.3Very high1 Ų135.6 Ų35.61%0.00518%0.184CC..THydrogen-bonded Turntrans-127.4-11.1177.365.59.9000113.1P142 G143 R145 Q220 Y221P142-D147 WeakPolarHBondContact CA-OD2 3.5Å; G143-D147 WeakPolarHBondContact CA-OD1 3.49Å; G143-D147 PolarHBondContact N-OD1 2.92Å; G143-D147 PolarHBondContact N-OD2 3.33Å; R145-D147 HydrophobicContact CG-CB 3.91Å; R145-D147 VanDerWaalsContact CG-OD2 3.23Å; R145-D147 WeakPolarHBondContact CG-OD2 3.29Å; R145-D147 IonicContact CZ-OD2 3.43Å; R145-D147 IonicContact NE-OD2 3.7Å; R145-D147 PolarHBondContact NE-OD2 3.42Å; R145-D147 IonicContact NH2-OD2 3.69Å; R145-D147 PolarHBondContact O-N 2.85Å; D147-Q220 WeakPolarHBondContact O-CA 3.48Å; D147-Y221 PolarHBondContact O-N 2.97Å
148T97.4Very high92.7Very high3 Ų335.8 Ų35.82%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-117.2122.3-173.5-56.30000111.2Y218 V219 Q220 D258 L263T148-Y218 HydrophobicContact CG2-CD1 4.38Å; T148-V219 WeakPolarHBondContact CA-O 3.04Å; T148-Q220 HydrophobicContact CG2-CB 4.37Å; T148-Q220 WeakPolarHBondContact OG1-CB 3.49Å; T148-Q220 WeakPolarHBondContact OG1-CG 3.41Å; T148-D258 HydrophobicContact CG2-CB 3.67Å; T148-D258 PolarHBondContact O-N 3.33Å; T148-L263 HydrophobicContact CG2-CB 4.35Å; T148-L263 HydrophobicContact CG2-CD1 3.91Å; T148-L263 HydrophobicContact CG2-CG 4.25Å
149I97.4Very high93Very high0 Ų032.6 Ų32.60%017%0.166CC..EExtended strand (participates in β ladder)trans-96.5141.3171.264.3173000110.1L151 F178 Y218 V219 Y221 F227 A230 M231 L234I149-L151 HydrophobicContact CD1-CD1 4.12Å; I149-L151 HydrophobicContact CD1-CD2 4.2Å; I149-L151 HydrophobicContact CD1-CG 4.23Å; I149-L151 HydrophobicContact CG1-CG 4.44Å; I149-F178 HydrophobicContact CD1-CD1 4.26Å; I149-F178 HydrophobicContact CD1-CE1 4.42Å; I149-Y218 WeakPolarHBondContact O-CA 3.4Å; I149-V219 HydrophobicContact CD1-CB 4.15Å; I149-V219 HydrophobicContact CG1-CB 3.75Å; I149-V219 WeakPolarHBondContact CG1-O 3.45Å; I149-V219 PolarHBondContact N-O 3.45Å; I149-V219 PolarHBondContact O-N 3.32Å; I149-Y221 HydrophobicContact CD1-CE2 4.05Å; I149-Y221 HydrophobicContact CG1-CE2 4.2Å; I149-Y221 HydrophobicContact CG2-CE2 4.42Å; I149-F227 HydrophobicContact CG2-CD2 3.59Å; I149-F227 HydrophobicContact CG2-CE2 3.66Å; I149-A230 HydrophobicContact CD1-CB 4.25Å; I149-M231 HydrophobicContact CG2-CG 4.07Å; I149-M231 HydrophobicContact CG2-SD 3.81Å; I149-L234 HydrophobicContact CD1-CD1 4.21Å
150H97.3Very high93.4Very high20 Ų2027.7 Ų27.79%0.09315%0.145CC..EExtended strand (participates in β ladder)trans-109.5125.5172176.4-134.4000109.2E152 Y218 V255 S256H150-E152 WeakPolarHBondContact CE1-CG 3.3Å; H150-E152 IonicContact CE1-OE1 3.11Å; H150-E152 PolarHBondContact CE1-OE1 2.88Å; H150-E152 IonicContact ND1-OE1 3.23Å; H150-E152 PolarHBondContact ND1-OE1 3.43Å; H150-Y218 HydrophobicContact CB-CD1 4.14Å; H150-Y218 HydrophobicContact CB-CE1 3.97Å; H150-Y218 AromaticContact CD2-CE1 3.55Å; H150-Y218 AromaticContact CD2-CE2 3.52Å; H150-Y218 AromaticContact CD2-CZ 3.26Å; H150-Y218 AromaticContact CG-CE1 3.81Å; H150-Y218 AromaticContact CG-CZ 3.92Å; H150-Y218 AromaticContact NE2-CE2 3.81Å; H150-Y218 AromaticContact NE2-CZ 3.59Å; H150-Y218 PolarHBondContact NE2-OH 2.86Å; H150-V255 WeakPolarHBondContact O-CA 3.24Å; H150-S256 PolarHBondContact N-O 3.06Å; H150-S256 PolarHBondContact O-N 3.49Å
151L96.6Very high93.4Very high0 Ų026.4 Ų26.40%013%0.134CC..EExtended strand (participates in β ladder)trans-117.8126.6-175.2-61.6168.3000109I149 L154 F178 E216 A217 V219 L234 K254 V255I149-L151 HydrophobicContact CD1-CD1 4.12Å; I149-L151 HydrophobicContact CD1-CD2 4.2Å; I149-L151 HydrophobicContact CD1-CG 4.23Å; I149-L151 HydrophobicContact CG1-CG 4.44Å; L151-L154 HydrophobicContact CB-CD1 3.79Å; L151-L154 HydrophobicContact CB-CG 4.21Å; L151-L154 HydrophobicContact CD1-CD1 4.09Å; L151-F178 HydrophobicContact CD1-CD1 4.43Å; L151-F178 HydrophobicContact CD1-CD2 4.35Å; L151-F178 HydrophobicContact CD1-CE1 3.78Å; L151-F178 HydrophobicContact CD1-CE2 3.68Å; L151-F178 HydrophobicContact CD1-CZ 3.35Å; L151-F178 HydrophobicContact CD2-CZ 4.47Å; L151-E216 CarbonylContact O-C 3.54Å; L151-E216 WeakPolarHBondContact O-CA 3.35Å; L151-A217 PolarHBondContact N-O 3.34Å; L151-A217 PolarHBondContact O-N 2.99Å; L151-V219 HydrophobicContact CD1-CG2 4.17Å; L151-L234 HydrophobicContact CD2-CD1 4.15Å; L151-K254 WeakPolarHBondContact CA-O 3.45Å; L151-V255 HydrophobicContact CD2-CB 4.25Å; L151-V255 HydrophobicContact CD2-CG1 3.95Å; L151-V255 HydrophobicContact CD2-CG2 3.69Å
152E93.9Very high92.9Very high58 Ų5828.5 Ų28.527%0.27114%0.14SC..EExtended strand (participates in β ladder)trans-122143.9176.2-61.8169.5-132.700110.6H150 E216 K254H150-E152 WeakPolarHBondContact CE1-CG 3.3Å; H150-E152 IonicContact CE1-OE1 3.11Å; H150-E152 PolarHBondContact CE1-OE1 2.88Å; H150-E152 IonicContact ND1-OE1 3.23Å; H150-E152 PolarHBondContact ND1-OE1 3.43Å; E152-E216 HydrophobicContact CG-CB 4.47Å; E152-K254 HydrophobicContact CB-CB 4.2Å; E152-K254 PolarHBondContact N-O 2.92Å; E152-K254 PolarHBondContact O-N 3.16Å; E152-K254 IonicContact OE1-NZ 2.97Å; E152-K254 PolarHBondContact OE1-NZ 3.44Å; E152-K254 IonicContact OE2-NZ 3.72Å; E152-K254 PolarHBondContact OE2-NZ 3.43Å
153G91.9Very high91.8Very high21 Ų2136.6 Ų36.622%0.21618%0.176CC..EExtended strand (participates in β ladder)trans86.417.417400000114.7N214 F215G153-N214 PolarHBondContact O-ND2 2.98Å; G153-F215 PolarHBondContact N-O 3.46Å
154L94.1Very high90.7Very high0 Ų039.5 Ų39.50%020%0.196CC..EExtended strand (participates in β ladder)trans-68.7129.9176.3-63.6172.1000110.5L151 C156 F159 L174 N214 F215 A217 L239 I253L151-L154 HydrophobicContact CB-CD1 3.79Å; L151-L154 HydrophobicContact CB-CG 4.21Å; L151-L154 HydrophobicContact CD1-CD1 4.09Å; L154-C156 PolarHBondContact O-N 3.18Å; L154-F159 HydrophobicContact CB-CD2 4.39Å; L154-F159 HydrophobicContact CB-CE2 4.07Å; L154-F159 HydrophobicContact CD2-CE2 3.97Å; L154-F159 HydrophobicContact CD2-CZ 3.95Å; L154-F159 HydrophobicContact CG-CE2 4.48Å; L154-L174 HydrophobicContact CD1-CD1 4.22Å; L154-N214 CarbonylContact O-C 3.5Å; L154-N214 WeakPolarHBondContact O-CA 3.36Å; L154-N214 WeakPolarHBondContact O-CB 3.47Å; L154-F215 HydrophobicContact CB-CD1 3.67Å; L154-F215 HydrophobicContact CB-CD2 4.35Å; L154-F215 HydrophobicContact CB-CE1 3.36Å; L154-F215 HydrophobicContact CB-CE2 4.11Å; L154-F215 HydrophobicContact CB-CG 4.14Å; L154-F215 HydrophobicContact CB-CZ 3.6Å; L154-F215 HydrophobicContact CD1-CD2 4.2Å; L154-F215 HydrophobicContact CD1-CE1 4.27Å; L154-F215 HydrophobicContact CD1-CE2 3.58Å; L154-F215 HydrophobicContact CD1-CZ 3.6Å; L154-F215 HydrophobicContact CG-CE1 4.46Å; L154-F215 HydrophobicContact CG-CZ 4.25Å; L154-F215 PolarHBondContact N-O 2.95Å; L154-F215 VanDerWaalsContact N-O 3.08Å; L154-F215 WeakPolarHBondContact O-CD1 3.29Å; L154-F215 PolarHBondContact O-N 3.35Å; L154-A217 HydrophobicContact CD1-CB 3.93Å; L154-L239 HydrophobicContact CD2-CD2 4.21Å; L154-I253 HydrophobicContact CD2-CG2 3.97Å
155P92.6Very high89.6Confident13 Ų1342.1 Ų42.18%0.08423%0.229CC..EExtended strand (participates in β ladder)trans-72.5126.4-179.5-21.935.7000112.5K157 W158 F159 L213 C251P155-K157 VanDerWaalsContact C-N 3.33Å; P155-K157 PolarHBondContact O-N 2.9Å; P155-W158 HydrophobicContact CB-CB 4.34Å; P155-W158 HydrophobicContact CB-CD2 3.78Å; P155-W158 HydrophobicContact CB-CE3 4.23Å; P155-W158 HydrophobicContact CB-CG 3.84Å; P155-W158 HydrophobicContact CG-CD2 3.67Å; P155-W158 HydrophobicContact CG-CE3 3.64Å; P155-W158 HydrophobicContact CG-CG 4.25Å; P155-W158 HydrophobicContact CG-CH2 4.16Å; P155-W158 HydrophobicContact CG-CZ2 4.18Å; P155-W158 HydrophobicContact CG-CZ3 3.9Å; P155-W158 PolarHBondContact O-N 3.46Å; P155-W158 VanDerWaalsContact O-N 3.12Å; P155-F159 WeakPolarHBondContact O-CD2 3.46Å; P155-L213 WeakPolarHBondContact CA-O 3.29Å; P155-C251 WeakPolarHBondContact CD-SG 3.1Å; P155-C251 HydrophobicContact CG-CB 4.12Å; P155-C251 WeakPolarHBondContact CG-SG 3.39Å
156C91.9Very high88.9Confident2 Ų241.5 Ų41.51%0.01424%0.235CC..G310 helixtrans-57.5-44.4-175.4-66.10000112.8L154 W158 F159 A160 E167 H212 L213 F215L154-C156 PolarHBondContact O-N 3.18Å; C156-W158 PolarHBondContact O-N 2.88Å; C156-F159 CarbonylContact O-C 3.52Å; C156-F159 PolarHBondContact O-N 3.42Å; C156-F159 VanDerWaalsContact O-N 3.12Å; C156-A160 PolarHBondContact O-N 2.98Å; C156-A160 VanDerWaalsContact O-N 3.09Å; C156-E167 WeakPolarHBondContact CB-O 3.35Å; C156-H212 PolarHBondContact SG-O 3.03Å; C156-L213 PolarHBondContact N-O 3.35Å; C156-F215 HydrophobicContact CB-CD1 4.48Å
157K90.6Very high88.3Confident127 Ų12746.3 Ų46.355%0.55226%0.256SS*.G310 helixtrans-61.8-28.3-179-64.4-167.9176.7-161.40113.8P155 F159 E167P155-K157 VanDerWaalsContact C-N 3.33Å; P155-K157 PolarHBondContact O-N 2.9Å; K157-F159 VanDerWaalsContact C-N 3.31Å; K157-E167 WeakPolarHBondContact CE-OE1 3.2Å; K157-E167 IonicContact NZ-OE1 3.3Å; K157-E167 PolarHBondContact NZ-OE1 3.16Å
158W92.6Very high88Confident28 Ų2852.7 Ų52.711%0.10628%0.284CS..G310 helixtrans-78.7-20.9-179-620.1000112.5A4 L22 P155 C156 L239 Y241 V249 C251A4-W158 HydrophobicContact CB-CZ2 4.09Å; L22-W158 HydrophobicContact CD2-CB 4.16Å; L22-W158 HydrophobicContact CD2-CE3 3.99Å; P155-W158 HydrophobicContact CB-CB 4.34Å; P155-W158 HydrophobicContact CB-CD2 3.78Å; P155-W158 HydrophobicContact CB-CE3 4.23Å; P155-W158 HydrophobicContact CB-CG 3.84Å; P155-W158 HydrophobicContact CG-CD2 3.67Å; P155-W158 HydrophobicContact CG-CE3 3.64Å; P155-W158 HydrophobicContact CG-CG 4.25Å; P155-W158 HydrophobicContact CG-CH2 4.16Å; P155-W158 HydrophobicContact CG-CZ2 4.18Å; P155-W158 HydrophobicContact CG-CZ3 3.9Å; P155-W158 PolarHBondContact O-N 3.46Å; P155-W158 VanDerWaalsContact O-N 3.12Å; C156-W158 PolarHBondContact O-N 2.88Å; W158-L239 HydrophobicContact CE3-CD2 3.63Å; W158-L239 HydrophobicContact CE3-CG 3.93Å; W158-L239 HydrophobicContact CZ3-CB 4.11Å; W158-L239 HydrophobicContact CZ3-CD2 3.87Å; W158-L239 HydrophobicContact CZ3-CG 3.77Å; W158-Y241 HydrophobicContact CD2-CG 4.16Å; W158-Y241 HydrophobicContact CG-CD2 4.25Å; W158-Y241 HydrophobicContact CG-CG 4.21Å; W158-V249 HydrophobicContact CH2-CG2 4.28Å; W158-V249 HydrophobicContact CZ2-CB 4.36Å; W158-V249 HydrophobicContact CZ2-CG2 3.54Å; W158-C251 HydrophobicContact CH2-CB 3.99Å; W158-C251 HydrophobicContact CZ3-CB 4.32Å; W158-C251 WeakPolarHBondContact CZ3-SG 3.42Å
159F94.1Very high87.8Confident0 Ų052.8 Ų52.80%029%0.285CS..SBendtrans-110.610.7178.9-67.7-96.2000112.3L22 L154 P155 C156 K157 P169 S170 V173 L174 V177 F178 F215 L239L22-F159 HydrophobicContact CD1-CE1 4.04Å; L22-F159 HydrophobicContact CD1-CE2 4.49Å; L22-F159 HydrophobicContact CD1-CZ 4.01Å; L154-F159 HydrophobicContact CB-CD2 4.39Å; L154-F159 HydrophobicContact CB-CE2 4.07Å; L154-F159 HydrophobicContact CD2-CE2 3.97Å; L154-F159 HydrophobicContact CD2-CZ 3.95Å; L154-F159 HydrophobicContact CG-CE2 4.48Å; P155-F159 WeakPolarHBondContact O-CD2 3.46Å; C156-F159 CarbonylContact O-C 3.52Å; C156-F159 PolarHBondContact O-N 3.42Å; C156-F159 VanDerWaalsContact O-N 3.12Å; K157-F159 VanDerWaalsContact C-N 3.31Å; F159-P169 HydrophobicContact CB-CB 4.1Å; F159-S170 PolarHBondContact O-N 3.21Å; F159-V173 HydrophobicContact CB-CG1 4.42Å; F159-V173 HydrophobicContact CD1-CG1 4.3Å; F159-L174 HydrophobicContact CD1-CD1 4.05Å; F159-L174 HydrophobicContact CE1-CD1 3.95Å; F159-V177 HydrophobicContact CD1-CG2 4.5Å; F159-V177 HydrophobicContact CE1-CB 4.19Å; F159-V177 HydrophobicContact CE1-CG1 3.98Å; F159-V177 HydrophobicContact CE1-CG2 4.18Å; F159-F178 HydrophobicContact CE1-CE2 4.02Å; F159-F178 HydrophobicContact CZ-CE2 4.33Å; F159-F215 HydrophobicContact CB-CE1 3.73Å; F159-F215 HydrophobicContact CB-CZ 3.67Å; F159-F215 HydrophobicContact CD1-CZ 4.1Å; F159-F215 AromaticContact CD2-CE1 3.56Å; F159-F215 HydrophobicContact CD2-CE1 3.56Å; F159-F215 AromaticContact CD2-CZ 3.72Å; F159-F215 HydrophobicContact CD2-CZ 3.72Å; F159-F215 HydrophobicContact CE2-CE1 4.35Å; F159-F215 HydrophobicContact CE2-CZ 4.36Å; F159-F215 AromaticContact CG-CE1 3.77Å; F159-F215 HydrophobicContact CG-CE1 3.77Å; F159-F215 AromaticContact CG-CZ 3.56Å; F159-F215 HydrophobicContact CG-CZ 3.56Å; F159-L239 HydrophobicContact CE2-CD2 3.62Å; F159-L239 HydrophobicContact CZ-CD2 3.85Å
160A92.1Very high87.7Confident10 Ų1053.8 Ų53.88%0.08329%0.291CS..BIsolated β-bridgetrans-78.2151.9174.900000111C156 K162 S166 K168C156-A160 PolarHBondContact O-N 2.98Å; C156-A160 VanDerWaalsContact O-N 3.09Å; A160-K162 PolarHBondContact O-N 2.69Å; A160-S166 WeakPolarHBondContact CB-O 3.47Å; A160-K168 WeakPolarHBondContact CA-O 3.23Å; A160-K168 WeakPolarHBondContact CB-O 3.34Å
161L88.5Confident87.6Confident77 Ų7756.5 Ų56.540%0.40330%0.304SS..  trans-73.3113.1174-17269.7000109.2E163 S164 V173L161-E163 PolarHBondContact O-N 3.15Å; L161-S164 PolarHBondContact O-N 2.65Å; L161-S164 PolarHBondContact O-OG 3.19Å; L161-V173 HydrophobicContact CD1-CG2 4.44Å
162K79.1Confident87.5Confident117 Ų11761.8 Ų61.851%0.50933%0.332SS..G310 helixtrans-50.2-35.6-173.2-69.8-176.1174.3-178.20114.1A19 A160A19-K162 PolarHBondContact O-NZ 2.92Å; A160-K162 PolarHBondContact O-N 2.69Å
163E70.9Confident87.6Confident186 Ų18659 Ų5987%0.86932%0.319SS*.G310 helixtrans-83.8-12.8-174.2-63175.4-179.100113.9L161L161-E163 PolarHBondContact O-N 3.15Å
164S67.4Low87.9Confident64 Ų6458 Ų5845%0.44831%0.309SS..G310 helixtrans-89-14.6-169.666.80000114.7L161 S166L161-S164 PolarHBondContact O-N 2.65Å; L161-S164 PolarHBondContact O-OG 3.19Å; S164-S166 PolarHBondContact O-N 3.49Å; S164-S166 VanDerWaalsContact OG-CB 3.23Å; S164-S166 WeakPolarHBondContact OG-CB 3.23Å; S164-S166 PolarHBondContact OG-N 2.85Å
165G70.4Confident88Confident78 Ų7859.9 Ų59.980%0.80432%0.32SS*.  trans62.36.2-168.800000114.2
166S78Confident88.2Confident52 Ų5264.9 Ų64.936%0.36434%0.341SS..  trans-78.2139.7180-176.70000110.8A160 S164 K168A160-S166 WeakPolarHBondContact CB-O 3.47Å; S164-S166 PolarHBondContact O-N 3.49Å; S164-S166 VanDerWaalsContact OG-CB 3.23Å; S164-S166 WeakPolarHBondContact OG-CB 3.23Å; S164-S166 PolarHBondContact OG-N 2.85Å; S166-K168 VanDerWaalsContact C-N 3.31Å; S166-K168 WeakPolarHBondContact OG-CB 3.46Å; S166-K168 PolarHBondContact OG-N 2.86Å; S166-K168 VanDerWaalsContact OG-N 3.12Å
167E82.3Confident88.5Confident116 Ų11664.8 Ų64.854%0.54234%0.34SS..  trans-88.7-0.4169.4-59.8-164.3143.600112.6C156 K157C156-E167 WeakPolarHBondContact CB-O 3.35Å; K157-E167 WeakPolarHBondContact CE-OE1 3.2Å; K157-E167 IonicContact NZ-OE1 3.3Å; K157-E167 PolarHBondContact NZ-OE1 3.16Å
168K89.3Confident88.8Confident135 Ų13558.8 Ų58.859%0.58731%0.314SS*.SBendtrans-82.7142.4178.8-64-173.5178.1-175.60111.2A160 S166 L192A160-K168 WeakPolarHBondContact CA-O 3.23Å; A160-K168 WeakPolarHBondContact CB-O 3.34Å; S166-K168 VanDerWaalsContact C-N 3.31Å; S166-K168 WeakPolarHBondContact OG-CB 3.46Å; S166-K168 PolarHBondContact OG-N 2.86Å; S166-K168 VanDerWaalsContact OG-N 3.12Å; K168-L192 HydrophobicContact CB-CD2 4.29Å; K168-L192 HydrophobicContact CD-CD2 4.42Å
169P93.3Very high89Confident5 Ų562.1 Ų62.13%0.03233%0.331CS..BIsolated β-bridgetrans-66.7156.4173.232.2-36.5000111F159 I189 M191 L192 F215F159-P169 HydrophobicContact CB-CB 4.1Å; P169-I189 HydrophobicContact CB-CD1 4.19Å; P169-I189 HydrophobicContact CG-CD1 4.38Å; P169-I189 HydrophobicContact CG-CG2 4.03Å; P169-M191 HydrophobicContact CG-SD 3.96Å; P169-L192 HydrophobicContact CG-CD2 4.35Å; P169-F215 HydrophobicContact CB-CD1 3.82Å; P169-F215 HydrophobicContact CB-CD2 4.25Å; P169-F215 HydrophobicContact CB-CE1 3.66Å; P169-F215 HydrophobicContact CB-CE2 4.09Å; P169-F215 HydrophobicContact CB-CG 4.14Å; P169-F215 HydrophobicContact CB-CZ 3.8Å; P169-F215 HydrophobicContact CG-CB 4.28Å; P169-F215 HydrophobicContact CG-CD1 3.97Å; P169-F215 HydrophobicContact CG-CD2 4.16Å; P169-F215 HydrophobicContact CG-CE1 4.31Å; P169-F215 HydrophobicContact CG-CE2 4.47Å; P169-F215 HydrophobicContact CG-CG 3.91Å
170S94.1Very high89.1Confident20 Ų2067.4 Ų67.414%0.1435%0.354CS..  trans-117.3133.3178.9165.50000110.5F159 D172 V173 L174F159-S170 PolarHBondContact O-N 3.21Å; S170-D172 VanDerWaalsContact C-N 3.3Å; S170-D172 PolarHBondContact O-N 2.88Å; S170-D172 PolarHBondContact OG-N 2.93Å; S170-V173 PolarHBondContact O-N 3.4Å; S170-V173 PolarHBondContact OG-N 3.3Å; S170-L174 PolarHBondContact O-N 2.93Å
171E95.7Very high89.4Confident77 Ų7767.7 Ų67.736%0.3635%0.353SS..Hα-helixtrans-61.2-38.9173.7-70.3-178167.500111.5V173 L174 V175 V187 I189 L192E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 3.35Å; E171-L174 WeakPolarHBondContact O-CB 3.47Å; E171-L174 PolarHBondContact O-N 2.89Å; E171-L174 VanDerWaalsContact O-N 3.16Å; E171-V175 WeakPolarHBondContact O-CG2 3.36Å; E171-V175 PolarHBondContact O-N 2.91Å; E171-V187 HydrophobicContact CB-CG2 3.94Å; E171-V187 HydrophobicContact CG-CG2 4.23Å; E171-I189 HydrophobicContact CG-CB 4.46Å; E171-I189 HydrophobicContact CG-CD1 3.81Å; E171-I189 HydrophobicContact CG-CG1 4.01Å; E171-L192 HydrophobicContact CG-CD1 4.06Å
172D95.6Very high89.8Confident111 Ų11165.2 Ų65.259%0.59435%0.346SS*.Hα-helixtrans-62.5-40.2177.9-59.6-41.9000112.5S170 K176S170-D172 VanDerWaalsContact C-N 3.3Å; S170-D172 PolarHBondContact O-N 2.88Å; S170-D172 PolarHBondContact OG-N 2.93Å; D172-K176 WeakPolarHBondContact O-CG 3.44Å; D172-K176 PolarHBondContact O-N 3.35Å
173V95.9Very high90.7Very high0 Ų064.1 Ų64.10%034%0.343CS..Hα-helixtrans-66.6-43.8175.6178.60000109.7Y20 F159 L161 S170 E171 V175 K176 V177Y20-V173 HydrophobicContact CD1-CG1 3.65Å; Y20-V173 HydrophobicContact CD1-CG2 4.41Å; Y20-V173 HydrophobicContact CD2-CG1 4.35Å; Y20-V173 HydrophobicContact CE1-CB 4.19Å; Y20-V173 HydrophobicContact CE1-CG1 3.63Å; Y20-V173 HydrophobicContact CE1-CG2 3.62Å; Y20-V173 HydrophobicContact CE2-CG1 4.33Å; Y20-V173 HydrophobicContact CG-CG1 4.03Å; F159-V173 HydrophobicContact CB-CG1 4.42Å; F159-V173 HydrophobicContact CD1-CG1 4.3Å; L161-V173 HydrophobicContact CD1-CG2 4.44Å; S170-V173 PolarHBondContact O-N 3.4Å; S170-V173 PolarHBondContact OG-N 3.3Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 3.35Å; V173-V175 VanDerWaalsContact C-N 3.34Å; V173-V175 PolarHBondContact O-N 2.96Å; V173-K176 PolarHBondContact O-N 2.65Å; V173-V177 HydrophobicContact CG1-CG2 4.19Å; V173-V177 WeakPolarHBondContact O-CB 3.18Å; V173-V177 WeakPolarHBondContact O-CG2 3.42Å; V173-V177 PolarHBondContact O-N 3.22Å
174L96.9Very high92Very high0 Ų056.2 Ų56.20%031%0.306CS..Hα-helixtrans-58.6-45.7176.8-173.173.5000111.5L154 F159 S170 E171 V177 F178 V187 I189 F215 A217 V219L154-L174 HydrophobicContact CD1-CD1 4.22Å; F159-L174 HydrophobicContact CD1-CD1 4.05Å; F159-L174 HydrophobicContact CE1-CD1 3.95Å; S170-L174 PolarHBondContact O-N 2.93Å; E171-L174 WeakPolarHBondContact O-CB 3.47Å; E171-L174 PolarHBondContact O-N 2.89Å; E171-L174 VanDerWaalsContact O-N 3.16Å; L174-V177 PolarHBondContact O-N 2.63Å; L174-F178 HydrophobicContact CD1-CD2 3.63Å; L174-F178 HydrophobicContact CD1-CE2 3.55Å; L174-F178 HydrophobicContact CG-CD2 4.17Å; L174-F178 WeakPolarHBondContact O-CD2 3.37Å; L174-F178 PolarHBondContact O-N 3.41Å; L174-F178 VanDerWaalsContact O-N 3.09Å; L174-V187 HydrophobicContact CD2-CB 4.18Å; L174-V187 HydrophobicContact CD2-CG1 4.31Å; L174-I189 HydrophobicContact CB-CD1 4.49Å; L174-I189 HydrophobicContact CD2-CD1 4.13Å; L174-I189 HydrophobicContact CD2-CG1 3.95Å; L174-F215 HydrophobicContact CD1-CE2 4.36Å; L174-F215 HydrophobicContact CD1-CZ 4.42Å; L174-A217 HydrophobicContact CD1-CB 4.26Å; L174-A217 HydrophobicContact CD2-CB 3.64Å; L174-V219 HydrophobicContact CD2-CG2 4.01Å; L174-V219 HydrophobicContact CG-CG2 4.19Å
175V97.6Very high93.4Very high39 Ų3957.6 Ų57.624%0.23630%0.301CS..Hα-helixtrans-56.9-55.9175171.60000110.1E171 V173 V177 F178 E179 I184 V187E171-V175 WeakPolarHBondContact O-CG2 3.36Å; E171-V175 PolarHBondContact O-N 2.91Å; V173-V175 VanDerWaalsContact C-N 3.34Å; V173-V175 PolarHBondContact O-N 2.96Å; V175-V177 PolarHBondContact O-N 3.04Å; V175-V177 VanDerWaalsContact O-N 3.14Å; V175-F178 PolarHBondContact O-N 3.42Å; V175-F178 VanDerWaalsContact O-N 3.16Å; V175-E179 WeakPolarHBondContact O-CB 3.44Å; V175-E179 PolarHBondContact O-N 3.03Å; V175-I184 HydrophobicContact CB-CD1 4.35Å; V175-I184 HydrophobicContact CG1-CD1 4.16Å; V175-I184 HydrophobicContact CG2-CG2 4.46Å; V175-I184 WeakPolarHBondContact O-CD1 3.38Å; V175-V187 HydrophobicContact CG2-CB 4.39Å; V175-V187 HydrophobicContact CG2-CG1 3.7Å; V175-V187 HydrophobicContact CG2-CG2 3.75Å
176K96.7Very high94.6Very high118 Ų11856.3 Ų56.351%0.51328%0.276SS..Hα-helixtrans-58.2-32.3-178.7-74.3175.4178.4179.10114Y20 D172 V173Y20-K176 HydrophobicContact CE2-CB 4Å; Y20-K176 HydrophobicContact CE2-CD 3.93Å; Y20-K176 VanDerWaalsContact OH-CD 3.28Å; Y20-K176 WeakPolarHBondContact OH-CD 3.34Å; D172-K176 WeakPolarHBondContact O-CG 3.44Å; D172-K176 PolarHBondContact O-N 3.35Å; V173-K176 PolarHBondContact O-N 2.65Å
177V96.8Very high95.6Very high0 Ų055.2 Ų55.20%027%0.267CS..Hα-helixtrans-74.4-42.9179.9171.20000111.4L16 C17 Y20 L22 F159 V173 L174 V175L16-V177 HydrophobicContact CD2-CG1 3.61Å; L16-V177 HydrophobicContact CG-CG1 3.85Å; C17-V177 HydrophobicContact CB-CB 4.31Å; C17-V177 HydrophobicContact CB-CG1 4.32Å; C17-V177 HydrophobicContact CB-CG2 3.9Å; Y20-V177 HydrophobicContact CD2-CG2 4.2Å; L22-V177 HydrophobicContact CD1-CB 4.44Å; L22-V177 HydrophobicContact CD1-CG1 3.94Å; L22-V177 HydrophobicContact CD1-CG2 3.56Å; F159-V177 HydrophobicContact CD1-CG2 4.5Å; F159-V177 HydrophobicContact CE1-CB 4.19Å; F159-V177 HydrophobicContact CE1-CG1 3.98Å; F159-V177 HydrophobicContact CE1-CG2 4.18Å; V173-V177 HydrophobicContact CG1-CG2 4.19Å; V173-V177 WeakPolarHBondContact O-CB 3.18Å; V173-V177 WeakPolarHBondContact O-CG2 3.42Å; V173-V177 PolarHBondContact O-N 3.22Å; L174-V177 PolarHBondContact O-N 2.63Å; V175-V177 PolarHBondContact O-N 3.04Å; V175-V177 VanDerWaalsContact O-N 3.14Å
178F97.4Very high96.2Very high1 Ų150.5 Ų50.50%0.00425%0.246CC..Hα-helixtrans-94.3-15-173.7-75.5-80.7000114.2I149 L151 F159 L174 V175 K180 F181 I184 V219 Y221 L234I149-F178 HydrophobicContact CD1-CD1 4.26Å; I149-F178 HydrophobicContact CD1-CE1 4.42Å; L151-F178 HydrophobicContact CD1-CD1 4.43Å; L151-F178 HydrophobicContact CD1-CD2 4.35Å; L151-F178 HydrophobicContact CD1-CE1 3.78Å; L151-F178 HydrophobicContact CD1-CE2 3.68Å; L151-F178 HydrophobicContact CD1-CZ 3.35Å; L151-F178 HydrophobicContact CD2-CZ 4.47Å; F159-F178 HydrophobicContact CE1-CE2 4.02Å; F159-F178 HydrophobicContact CZ-CE2 4.33Å; L174-F178 HydrophobicContact CD1-CD2 3.63Å; L174-F178 HydrophobicContact CD1-CE2 3.55Å; L174-F178 HydrophobicContact CG-CD2 4.17Å; L174-F178 WeakPolarHBondContact O-CD2 3.37Å; L174-F178 PolarHBondContact O-N 3.41Å; L174-F178 VanDerWaalsContact O-N 3.09Å; V175-F178 PolarHBondContact O-N 3.42Å; V175-F178 VanDerWaalsContact O-N 3.16Å; F178-K180 PolarHBondContact O-N 3.48Å; F178-K180 VanDerWaalsContact O-N 3.08Å; F178-F181 HydrophobicContact CD1-CD2 4.02Å; F178-F181 AromaticContact CD1-CE2 3.82Å; F178-F181 HydrophobicContact CD1-CE2 3.82Å; F178-F181 HydrophobicContact CE1-CE2 4.26Å; F178-F181 WeakPolarHBondContact O-CD2 3.39Å; F178-F181 PolarHBondContact O-N 2.9Å; F178-I184 HydrophobicContact CB-CD1 3.98Å; F178-V219 HydrophobicContact CB-CG1 4.16Å; F178-V219 HydrophobicContact CD2-CG2 4.4Å; F178-V219 HydrophobicContact CG-CG2 4.44Å; F178-Y221 PolarHBondContact O-OH 3.33Å; F178-L234 HydrophobicContact CE1-CD1 4.05Å; F178-L234 HydrophobicContact CE1-CD2 4.32Å
179E96.9Very high96.5Very high99 Ų9944.1 Ų44.146%0.46322%0.218SC..G310 helixtrans-60.8-19.5174.7-171.8173.3-151.400112.2V175 F181 G182 I184V175-E179 WeakPolarHBondContact O-CB 3.44Å; V175-E179 PolarHBondContact O-N 3.03Å; E179-F181 PolarHBondContact O-N 3.41Å; E179-F181 VanDerWaalsContact O-N 3.09Å; E179-G182 WeakPolarHBondContact CA-O 3.17Å; E179-G182 PolarHBondContact O-N 2.89Å; E179-I184 HydrophobicContact CB-CD1 4.13Å
180K96.6Very high96.4Very high111 Ų11144 Ų4448%0.48322%0.217SC..G310 helixtrans-50.9-31.8170.2177.5164.4-175.51630113.5E15 L16 F178E15-K180 PolarHBondContact O-NZ 3.48Å; L16-K180 WeakPolarHBondContact O-CD 3.46Å; F178-K180 PolarHBondContact O-N 3.48Å; F178-K180 VanDerWaalsContact O-N 3.08Å
181F97.3Very high96.1Very high16 Ų1645.4 Ų45.47%0.0722%0.222CC..G310 helixtrans-88.8-17.7-178.6-55.9-61.3000113.2L16 L24 F178 E179 Y221 G226 Q229 A230 A233L16-F181 HydrophobicContact CD1-CE1 4.49Å; L16-F181 HydrophobicContact CD1-CE2 3.61Å; L16-F181 HydrophobicContact CD1-CZ 3.42Å; L16-F181 VanDerWaalsContact CD1-CZ 3.42Å; L24-F181 HydrophobicContact CD1-CZ 4.46Å; F178-F181 HydrophobicContact CD1-CD2 4.02Å; F178-F181 AromaticContact CD1-CE2 3.82Å; F178-F181 HydrophobicContact CD1-CE2 3.82Å; F178-F181 HydrophobicContact CE1-CE2 4.26Å; F178-F181 WeakPolarHBondContact O-CD2 3.39Å; F178-F181 PolarHBondContact O-N 2.9Å; E179-F181 PolarHBondContact O-N 3.41Å; E179-F181 VanDerWaalsContact O-N 3.09Å; F181-Y221 HydrophobicContact CB-CE1 4Å; F181-G226 WeakPolarHBondContact O-CA 3.49Å; F181-Q229 HydrophobicContact CB-CB 4.27Å; F181-Q229 HydrophobicContact CD1-CB 4.47Å; F181-Q229 PolarHBondContact O-OE1 3.07Å; F181-A230 HydrophobicContact CB-CB 3.87Å; F181-A230 HydrophobicContact CD2-CB 3.75Å; F181-A230 HydrophobicContact CE2-CB 4.42Å; F181-A230 HydrophobicContact CG-CB 3.79Å; F181-A233 HydrophobicContact CD1-CB 4.08Å; F181-A233 HydrophobicContact CE1-CB 3.27Å; F181-A233 HydrophobicContact CZ-CB 3.78Å
182G97.2Very high95.8Very high24 Ų2444.5 Ų44.525%0.24722%0.22CC..SBendtrans157.5169.6-17900000112.3E179 I184E179-G182 WeakPolarHBondContact CA-O 3.17Å; E179-G182 PolarHBondContact O-N 2.89Å; G182-I184 PolarHBondContact O-N 3.37Å
183E97.9Very high95.4Very high95 Ų9539.9 Ų39.944%0.44420%0.195SC..  trans-63.8126-178.1-169.2176.2-165.900111.4Y221 R222E183-Y221 WeakPolarHBondContact O-CA 3.46Å; E183-R222 VanDerWaalsContact CD-CD 3.44Å; E183-R222 HydrophobicContact CG-CG 4.33Å; E183-R222 PolarHBondContact O-N 2.96Å; E183-R222 IonicContact OE1-CZ 3.3Å; E183-R222 IonicContact OE1-NE 2.91Å; E183-R222 PolarHBondContact OE1-NE 3.3Å; E183-R222 IonicContact OE1-NH1 3.42Å; E183-R222 PolarHBondContact OE1-NH1 3.31Å; E183-R222 IonicContact OE1-NH2 3.26Å; E183-R222 PolarHBondContact OE1-NH2 2.84Å; E183-R222 VanDerWaalsContact OE2-CD 3.23Å; E183-R222 WeakPolarHBondContact OE2-CD 3.46Å; E183-R222 IonicContact OE2-CZ 3.15Å; E183-R222 IonicContact OE2-NE 3.99Å; E183-R222 IonicContact OE2-NH1 2.65Å; E183-R222 PolarHBondContact OE2-NH1 3.44Å
184I98.1Very high94.8Very high19 Ų1945.1 Ų45.110%0.09723%0.229CC..EExtended strand (participates in β ladder)trans-86.6132.8-179.4-66.8175.4000109.6V175 F178 E179 G182 V187 V219 Y221V175-I184 HydrophobicContact CB-CD1 4.35Å; V175-I184 HydrophobicContact CG1-CD1 4.16Å; V175-I184 HydrophobicContact CG2-CG2 4.46Å; V175-I184 WeakPolarHBondContact O-CD1 3.38Å; F178-I184 HydrophobicContact CB-CD1 3.98Å; E179-I184 HydrophobicContact CB-CD1 4.13Å; G182-I184 PolarHBondContact O-N 3.37Å; I184-V187 HydrophobicContact CG2-CG1 3.66Å; I184-V219 HydrophobicContact CD1-CG1 3.86Å; I184-V219 HydrophobicContact CG1-CG1 4.04Å; I184-V219 HydrophobicContact CG2-CG1 4.39Å; I184-Y221 HydrophobicContact CG1-CD1 4.32Å; I184-Y221 HydrophobicContact CG1-CE1 4.17Å
185R96.8Very high94.1Very high93 Ų9347.1 Ų47.135%0.35124%0.237SC..EExtended strand (participates in β ladder)trans-87.5-55.8174.1-175.6176.8164.3129.3-5.6111P142 Q220 R222 D265P142-R185 VanDerWaalsContact CB-CZ 3.43Å; R185-Q220 HydrophobicContact CB-CG 4.17Å; R185-Q220 PolarHBondContact N-O 3.47Å; R185-R222 HydrophobicContact CB-CG 3.73Å; R185-R222 HydrophobicContact CG-CG 4.4Å; R185-D265 IonicContact NH2-OD1 3.22Å; R185-D265 PolarHBondContact NH2-OD1 2.9Å; R185-D265 IonicContact NH2-OD2 3.59Å; R185-D265 PolarHBondContact NH2-OD2 3.18Å
186N97Very high93.3Very high52 Ų5246.1 Ų46.128%0.27823%0.229SC..EExtended strand (participates in β ladder)trans-142.8148.5-175.7-69.2-44.6000109.5Q220 L263N186-Q220 HydrophobicContact CB-CB 4.33Å; N186-Q220 PolarHBondContact N-O 3.43Å; N186-Q220 PolarHBondContact ND2-OE1 3.45Å; N186-Q220 PolarHBondContact O-N 2.82Å; N186-L263 HydrophobicContact CB-CD1 4.27Å; N186-L263 HydrophobicContact CB-CD2 4.5Å
187V97.5Very high92.2Very high28 Ų2844.1 Ų44.117%0.1722%0.221CC..EExtended strand (participates in β ladder)trans-128.2155.5165.9-640000109.3E171 L174 V175 I184 Y218 V219E171-V187 HydrophobicContact CB-CG2 3.94Å; E171-V187 HydrophobicContact CG-CG2 4.23Å; L174-V187 HydrophobicContact CD2-CB 4.18Å; L174-V187 HydrophobicContact CD2-CG1 4.31Å; V175-V187 HydrophobicContact CG2-CB 4.39Å; V175-V187 HydrophobicContact CG2-CG1 3.7Å; V175-V187 HydrophobicContact CG2-CG2 3.75Å; I184-V187 HydrophobicContact CG2-CG1 3.66Å; V187-Y218 VanDerWaalsContact CA-O 3.29Å; V187-Y218 WeakPolarHBondContact CA-O 3.26Å; V187-V219 HydrophobicContact CG1-CG1 4.32Å; V187-V219 HydrophobicContact CG1-CG2 4.25Å
188D95.8Very high90.9Very high17 Ų1750.3 Ų50.39%0.09125%0.25CS..EExtended strand (participates in β ladder)trans-146.2131.7170.4179.988.3000109.3P190 R196 A217 Y218 H262 L263 R271D188-P190 WeakPolarHBondContact O-CD 3.48Å; D188-P190 WeakPolarHBondContact OD2-CD 3.38Å; D188-P190 WeakPolarHBondContact OD2-CG 3.43Å; D188-R196 IonicContact OD2-NH1 3.11Å; D188-A217 WeakPolarHBondContact O-CA 3.24Å; D188-Y218 PolarHBondContact N-O 3.46Å; D188-Y218 PolarHBondContact O-N 2.84Å; D188-H262 VanDerWaalsContact CG-NE2 3.34Å; D188-H262 IonicContact OD2-CD2 3.4Å; D188-H262 IonicContact OD2-CE1 2.76Å; D188-H262 PolarHBondContact OD2-CE1 3.47Å; D188-H262 IonicContact OD2-NE2 3.97Å; D188-H262 PolarHBondContact OD2-NE2 3Å; D188-L263 HydrophobicContact CB-CD2 3.68Å; D188-R271 IonicContact OD1-CZ 3.75Å; D188-R271 IonicContact OD1-NH1 2.74Å; D188-R271 PolarHBondContact OD1-NH1 3.32Å; D188-R271 IonicContact OD1-NH2 2.69Å; D188-R271 IonicContact OD2-NH1 3.48Å; D188-R271 PolarHBondContact OD2-NH1 2.85Å; D188-R271 VanDerWaalsContact OD2-NH1 3.14Å
189I95.1Very high89.6Confident2 Ų251.9 Ų51.91%0.0126%0.258CS..  trans-111.797.7169.9-59.9175.3000107.9P169 E171 L174 M191 L192 F215 A217P169-I189 HydrophobicContact CB-CD1 4.19Å; P169-I189 HydrophobicContact CG-CD1 4.38Å; P169-I189 HydrophobicContact CG-CG2 4.03Å; E171-I189 HydrophobicContact CG-CB 4.46Å; E171-I189 HydrophobicContact CG-CD1 3.81Å; E171-I189 HydrophobicContact CG-CG1 4.01Å; L174-I189 HydrophobicContact CB-CD1 4.49Å; L174-I189 HydrophobicContact CD2-CD1 4.13Å; L174-I189 HydrophobicContact CD2-CG1 3.95Å; I189-M191 HydrophobicContact CG2-CG 3.63Å; I189-M191 PolarHBondContact O-N 3.49Å; I189-L192 HydrophobicContact CB-CD1 3.84Å; I189-L192 HydrophobicContact CB-CG 3.93Å; I189-L192 HydrophobicContact CD1-CD1 4.01Å; I189-L192 HydrophobicContact CG1-CD1 4.45Å; I189-L192 HydrophobicContact CG2-CD1 4.11Å; I189-L192 HydrophobicContact CG2-CG 3.76Å; I189-L192 WeakPolarHBondContact O-CB 3.21Å; I189-L192 PolarHBondContact O-N 3.23Å; I189-F215 HydrophobicContact CD1-CD2 4.38Å; I189-F215 HydrophobicContact CD1-CE2 3.94Å; I189-F215 HydrophobicContact CG1-CD2 4.33Å; I189-F215 HydrophobicContact CG1-CE2 4.15Å; I189-F215 HydrophobicContact CG2-CD2 3.76Å; I189-F215 HydrophobicContact CG2-CE2 4.37Å; I189-F215 HydrophobicContact CG2-CG 4.48Å; I189-A217 HydrophobicContact CG1-CB 4.31Å
190P91.5Very high88.2Confident1 Ų149.8 Ų49.81%0.00625%0.252CS..G310 helixtrans-46.5-40.2-175.8-39.643000116D188 L192 D193 F204 E216 Y218D188-P190 WeakPolarHBondContact O-CD 3.48Å; D188-P190 WeakPolarHBondContact OD2-CD 3.38Å; D188-P190 WeakPolarHBondContact OD2-CG 3.43Å; P190-L192 PolarHBondContact O-N 3.24Å; P190-D193 PolarHBondContact O-N 3.36Å; P190-F204 HydrophobicContact CB-CE1 4.13Å; P190-F204 HydrophobicContact CB-CZ 4.17Å; P190-E216 HydrophobicContact CB-CG 4.07Å; P190-E216 WeakPolarHBondContact CB-OE1 3.35Å; P190-E216 WeakPolarHBondContact CD-O 3.35Å; P190-E216 HydrophobicContact CG-CG 3.87Å; P190-E216 WeakPolarHBondContact CG-OE1 3.46Å; P190-Y218 HydrophobicContact CG-CD2 4.12Å; P190-Y218 HydrophobicContact CG-CE2 3.93Å
191M87.9Confident86.5Confident51 Ų5147.8 Ų47.825%0.25126%0.263SS..G310 helixtrans-72.1-12.4-17866.1169.5-69.900114.6P169 I189 D193 H212 F215P169-M191 HydrophobicContact CG-SD 3.96Å; I189-M191 HydrophobicContact CG2-CG 3.63Å; I189-M191 PolarHBondContact O-N 3.49Å; M191-D193 VanDerWaalsContact C-N 3.32Å; M191-H212 HydrophobicContact CE-CB 3.78Å; M191-H212 HydrophobicContact SD-CB 4.19Å; M191-F215 HydrophobicContact CG-CB 4.12Å; M191-F215 HydrophobicContact SD-CB 3.25Å; M191-F215 WeakPolarHBondContact SD-CB 3.43Å; M191-F215 HydrophobicContact SD-CG 4.34Å
192L89.1Confident84.8Confident58 Ų5855.8 Ų55.830%0.30429%0.292SS..G310 helixtrans-82-12.2176.8-64.7-175.9000112.7K168 P169 E171 I189 P190 P194K168-L192 HydrophobicContact CB-CD2 4.29Å; K168-L192 HydrophobicContact CD-CD2 4.42Å; P169-L192 HydrophobicContact CG-CD2 4.35Å; E171-L192 HydrophobicContact CG-CD1 4.06Å; I189-L192 HydrophobicContact CB-CD1 3.84Å; I189-L192 HydrophobicContact CB-CG 3.93Å; I189-L192 HydrophobicContact CD1-CD1 4.01Å; I189-L192 HydrophobicContact CG1-CD1 4.45Å; I189-L192 HydrophobicContact CG2-CD1 4.11Å; I189-L192 HydrophobicContact CG2-CG 3.76Å; I189-L192 WeakPolarHBondContact O-CB 3.21Å; I189-L192 PolarHBondContact O-N 3.23Å; P190-L192 PolarHBondContact O-N 3.24Å; L192-P194 WeakPolarHBondContact O-CD 3.43Å
193D86.7Confident82.6Confident13 Ų1360.2 Ų60.27%0.0731%0.31CS..  trans-95.2109.6178.1-177.22.6000111.2P190 M191 Y195 R196 R275P190-D193 PolarHBondContact O-N 3.36Å; M191-D193 VanDerWaalsContact C-N 3.32Å; D193-Y195 PolarHBondContact O-N 3.01Å; D193-Y195 PolarHBondContact OD1-N 3.04Å; D193-Y195 VanDerWaalsContact OD1-N 3.07Å; D193-R196 HydrophobicContact CB-CB 4.08Å; D193-R196 VanDerWaalsContact O-CB 3.24Å; D193-R196 WeakPolarHBondContact O-CB 3.48Å; D193-R196 PolarHBondContact O-N 3.09Å; D193-R275 IonicContact OD1-CZ 3.04Å; D193-R275 IonicContact OD1-NE 3.28Å; D193-R275 PolarHBondContact OD1-NE 3.24Å; D193-R275 IonicContact OD1-NH2 2.63Å; D193-R275 IonicContact OD2-CZ 2.63Å; D193-R275 IonicContact OD2-NE 3.07Å; D193-R275 PolarHBondContact OD2-NE 3.3Å; D193-R275 IonicContact OD2-NH2 3.48Å; D193-R275 PolarHBondContact OD2-NH2 2.75Å
194P83.9Confident80.6Confident110 Ų11057.7 Ų57.771%0.71430%0.298SS*.THydrogen-bonded Turntrans-62.5-25.2-179.4-21.534.1000113.7L192L192-P194 WeakPolarHBondContact O-CD 3.43Å
195Y82.8Confident78.1Confident43 Ų4364.3 Ų64.317%0.16933%0.328CS..THydrogen-bonded Turntrans-91.5-1.4-176.6-58.6-78.4000112.3D193 E197 E198 M199 R275 L278 Q279 E282D193-Y195 PolarHBondContact O-N 3.01Å; D193-Y195 PolarHBondContact OD1-N 3.04Å; D193-Y195 VanDerWaalsContact OD1-N 3.07Å; Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 2.73Å; Y195-E198 PolarHBondContact O-N 3.02Å; Y195-M199 WeakPolarHBondContact O-CG 3.35Å; Y195-M199 PolarHBondContact O-N 3.24Å; Y195-M199 VanDerWaalsContact O-N 3.1Å; Y195-R275 HydrophobicContact CD2-CG 3.78Å; Y195-R275 HydrophobicContact CE2-CG 4.35Å; Y195-R275 HydrophobicContact CG-CG 4.37Å; Y195-L278 HydrophobicContact CD1-CB 3.87Å; Y195-L278 HydrophobicContact CD1-CD1 4.05Å; Y195-L278 HydrophobicContact CE1-CB 4.21Å; Y195-L278 HydrophobicContact CG-CD1 4.39Å; Y195-Q279 HydrophobicContact CE1-CG 4.45Å; Y195-Q279 HydrophobicContact CE2-CG 3.83Å; Y195-E282 PolarHBondContact OH-OE2 3.33Å
196R79.5Confident75.4Confident18 Ų1863.3 Ų63.37%0.06833%0.333CS..Hα-helixtrans-60.6-40.5-175.9-158.293.5-141.9-88.40.6112.8D188 D193 E198 M199 T200 F204 H262D188-R196 IonicContact OD2-NH1 3.11Å; D193-R196 HydrophobicContact CB-CB 4.08Å; D193-R196 VanDerWaalsContact O-CB 3.24Å; D193-R196 WeakPolarHBondContact O-CB 3.48Å; D193-R196 PolarHBondContact O-N 3.09Å; R196-E198 VanDerWaalsContact C-N 3.35Å; R196-M199 PolarHBondContact O-N 3.06Å; R196-T200 PolarHBondContact O-N 2.63Å; R196-T200 PolarHBondContact O-OG1 3.07Å; R196-F204 HydrophobicContact CB-CE2 4.27Å; R196-F204 HydrophobicContact CG-CD2 4.31Å; R196-F204 HydrophobicContact CG-CE2 3.53Å; R196-F204 HydrophobicContact CG-CZ 4.05Å; R196-H262 PolarHBondContact NH1-CE1 3.04Å; R196-H262 PolarHBondContact NH2-CE1 2.67Å; R196-H262 PolarHBondContact NH2-ND1 2.68Å
197E74.1Confident72.5Confident75 Ų7570.3 Ų70.335%0.3536%0.361SS..Hα-helixtrans-64-42.4-180-68.1-168.1148.900110.9Y195 G201 F204 T206Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 2.73Å; E197-G201 PolarHBondContact O-N 2.79Å; E197-G201 VanDerWaalsContact O-N 3.12Å; E197-F204 HydrophobicContact CG-CB 4.47Å; E197-F204 HydrophobicContact CG-CD2 4.15Å; E197-T206 WeakPolarHBondContact OE1-CG2 3.34Å; E197-T206 PolarHBondContact OE1-OG1 3.32Å
198E70.9Confident69.8Low131 Ų13172.4 Ų72.461%0.61238%0.377SS*.Hα-helixtrans-71.4-32.3-179-152.8170.3-159.200112.1Y195 R196 L278Y195-E198 PolarHBondContact O-N 3.02Å; R196-E198 VanDerWaalsContact C-N 3.35Å; E198-L278 HydrophobicContact CB-CD1 4.18Å; E198-L278 HydrophobicContact CG-CD1 4.43Å; E198-L278 HydrophobicContact CG-CD2 4.42Å; E198-L278 WeakPolarHBondContact OE2-CD2 3.33Å
199M70.1Confident66.9Low34 Ų3482.9 Ų82.917%0.16742%0.422CS..Hα-helixtrans-74.9-42.7176.1-68.5178.9-151.600113.8Y195 R196 R271 E274 R275 L278Y195-M199 WeakPolarHBondContact O-CG 3.35Å; Y195-M199 PolarHBondContact O-N 3.24Å; Y195-M199 VanDerWaalsContact O-N 3.1Å; R196-M199 PolarHBondContact O-N 3.06Å; M199-R271 HydrophobicContact SD-CB 4.4Å; M199-E274 HydrophobicContact CE-CB 4.26Å; M199-E274 HydrophobicContact CG-CB 3.99Å; M199-E274 HydrophobicContact SD-CB 3.92Å; M199-R275 VanDerWaalsContact CE-CA 3.45Å; M199-R275 HydrophobicContact CE-CB 3.61Å; M199-R275 HydrophobicContact CE-CG 4.16Å; M199-L278 HydrophobicContact CE-CD1 4.25Å; M199-L278 HydrophobicContact CG-CD1 4.24Å
200T66.7Low64.4Low54 Ų5485.9 Ų85.933%0.33145%0.453SS..Hα-helixtrans-95.5-12.8-168.259.80000113.6R196 R202R196-T200 PolarHBondContact O-N 2.63Å; R196-T200 PolarHBondContact O-OG1 3.07Å; T200-R202 PolarHBondContact O-N 3.28Å
201G60.8Low62.7Low69 Ų6987.9 Ų87.971%0.71147%0.474SS*.  trans59.86.9-175.500000113.7E197E197-G201 PolarHBondContact O-N 2.79Å; E197-G201 VanDerWaalsContact O-N 3.12Å
202R62Low61.5Low184 Ų18489.4 Ų89.469%0.69448%0.48SS*.  trans-93.4120.8173.9-69.9-173.7-170.6176.34.4107.3T200 F204T200-R202 PolarHBondContact O-N 3.28Å; R202-F204 PolarHBondContact O-N 2.87Å
203N51.1Low61.1Low117 Ų11792.3 Ų92.363%0.62650%0.496SS*.  trans-63.6106.1163.6-86.978.2000108.3H205 T206N203-H205 PolarHBondContact O-N 2.94Å; N203-T206 PolarHBondContact ND2-OG1 3.32Å
204F54.5Low61.2Low42 Ų4293.7 Ų93.718%0.18450%0.503CS..  trans-70.471.4165.4-78.3-81000108.6P190 R196 E197 R202 T206 E216P190-F204 HydrophobicContact CB-CE1 4.13Å; P190-F204 HydrophobicContact CB-CZ 4.17Å; R196-F204 HydrophobicContact CB-CE2 4.27Å; R196-F204 HydrophobicContact CG-CD2 4.31Å; R196-F204 HydrophobicContact CG-CE2 3.53Å; R196-F204 HydrophobicContact CG-CZ 4.05Å; E197-F204 HydrophobicContact CG-CB 4.47Å; E197-F204 HydrophobicContact CG-CD2 4.15Å; R202-F204 PolarHBondContact O-N 2.87Å; F204-T206 PolarHBondContact O-N 2.85Å; F204-E216 VanDerWaalsContact CE1-OE1 3.28Å; F204-E216 WeakPolarHBondContact CE1-OE1 3.45Å
205H46.8Very low61.6Low159 Ų15988.9 Ų88.974%0.73647%0.471SS*.  trans27.259.5177.6-59.7-57.1000114.1N203 F207N203-H205 PolarHBondContact O-N 2.94Å; H205-F207 PolarHBondContact O-N 3.02Å
206T40.1Very low62.1Low72 Ų7289.2 Ų89.244%0.44247%0.474SS..  trans-7110-178.2-16.30000113.1E197 N203 F204E197-T206 WeakPolarHBondContact OE1-CG2 3.34Å; E197-T206 PolarHBondContact OE1-OG1 3.32Å; N203-T206 PolarHBondContact ND2-OG1 3.32Å; F204-T206 PolarHBondContact O-N 2.85Å
207F35.3Very low63Low198 Ų19888.4 Ų88.487%0.86847%0.471SS*.  trans-103.266.7170.5-79.4-83.7000110.4H205H205-F207 PolarHBondContact O-N 3.02Å
208S40.5Very low64.1Low73 Ų7385.8 Ų85.851%0.5146%0.458SS..  trans-14189.6157.9-71.80000107.4G210 G211S208-G210 PolarHBondContact O-N 3.09Å; S208-G211 PolarHBondContact O-N 3.46Å
209F36.1Very low65.4Low237 Ų23779.5 Ų79.5100%1.03943%0.429SS*.THydrogen-bonded Turntrans-64.271.8163.9-152.4-90.9000107.1
210G43.1Very low66.7Low64 Ų6477.9 Ų77.966%0.6642%0.421SS*.THydrogen-bonded Turntrans160.59.6-164.400000117.5S208S208-G210 PolarHBondContact O-N 3.09Å
211G55.3Low68.2Low43 Ų4375.3 Ų75.344%0.44341%0.405SS..  trans82.4147.5172.400000114.8S208 L213S208-G211 PolarHBondContact O-N 3.46Å; G211-L213 PolarHBondContact O-N 3.32Å
212H62.4Low69.9Low84 Ų8478 Ų7839%0.38939%0.394SS..  trans-70.4112168.6-61.2-77.3000108.2C156 M191 N214C156-H212 PolarHBondContact SG-O 3.03Å; M191-H212 HydrophobicContact CE-CB 3.78Å; M191-H212 HydrophobicContact SD-CB 4.19Å; H212-N214 VanDerWaalsContact C-N 3.26Å
213L80.6Confident71.5Confident119 Ų11975.5 Ų75.562%0.62339%0.39SS*.SBendtrans-71.5-27.3173.8-66.3175.6000111.8P155 C156 G211P155-L213 WeakPolarHBondContact CA-O 3.29Å; C156-L213 PolarHBondContact N-O 3.35Å; G211-L213 PolarHBondContact O-N 3.32Å
214N89.1Confident73.6Confident42 Ų4273.4 Ų73.423%0.22537%0.374CS..EExtended strand (participates in β ladder)trans-132.2152.2179.5-54.272.9000110.3G153 L154 H212G153-N214 PolarHBondContact O-ND2 2.98Å; L154-N214 CarbonylContact O-C 3.5Å; L154-N214 WeakPolarHBondContact O-CA 3.36Å; L154-N214 WeakPolarHBondContact O-CB 3.47Å; H212-N214 VanDerWaalsContact C-N 3.26Å
215F92Very high75.5Confident8 Ų876.1 Ų76.14%0.03539%0.388CS..EExtended strand (participates in β ladder)trans-125.8164.4179.171.3-80.6000112G153 L154 C156 F159 P169 L174 I189 M191 A217G153-F215 PolarHBondContact N-O 3.46Å; L154-F215 HydrophobicContact CB-CD1 3.67Å; L154-F215 HydrophobicContact CB-CD2 4.35Å; L154-F215 HydrophobicContact CB-CE1 3.36Å; L154-F215 HydrophobicContact CB-CE2 4.11Å; L154-F215 HydrophobicContact CB-CG 4.14Å; L154-F215 HydrophobicContact CB-CZ 3.6Å; L154-F215 HydrophobicContact CD1-CD2 4.2Å; L154-F215 HydrophobicContact CD1-CE1 4.27Å; L154-F215 HydrophobicContact CD1-CE2 3.58Å; L154-F215 HydrophobicContact CD1-CZ 3.6Å; L154-F215 HydrophobicContact CG-CE1 4.46Å; L154-F215 HydrophobicContact CG-CZ 4.25Å; L154-F215 PolarHBondContact N-O 2.95Å; L154-F215 VanDerWaalsContact N-O 3.08Å; L154-F215 WeakPolarHBondContact O-CD1 3.29Å; L154-F215 PolarHBondContact O-N 3.35Å; C156-F215 HydrophobicContact CB-CD1 4.48Å; F159-F215 HydrophobicContact CB-CE1 3.73Å; F159-F215 HydrophobicContact CB-CZ 3.67Å; F159-F215 HydrophobicContact CD1-CZ 4.1Å; F159-F215 AromaticContact CD2-CE1 3.56Å; F159-F215 HydrophobicContact CD2-CE1 3.56Å; F159-F215 AromaticContact CD2-CZ 3.72Å; F159-F215 HydrophobicContact CD2-CZ 3.72Å; F159-F215 HydrophobicContact CE2-CE1 4.35Å; F159-F215 HydrophobicContact CE2-CZ 4.36Å; F159-F215 AromaticContact CG-CE1 3.77Å; F159-F215 HydrophobicContact CG-CE1 3.77Å; F159-F215 AromaticContact CG-CZ 3.56Å; F159-F215 HydrophobicContact CG-CZ 3.56Å; P169-F215 HydrophobicContact CB-CD1 3.82Å; P169-F215 HydrophobicContact CB-CD2 4.25Å; P169-F215 HydrophobicContact CB-CE1 3.66Å; P169-F215 HydrophobicContact CB-CE2 4.09Å; P169-F215 HydrophobicContact CB-CG 4.14Å; P169-F215 HydrophobicContact CB-CZ 3.8Å; P169-F215 HydrophobicContact CG-CB 4.28Å; P169-F215 HydrophobicContact CG-CD1 3.97Å; P169-F215 HydrophobicContact CG-CD2 4.16Å; P169-F215 HydrophobicContact CG-CE1 4.31Å; P169-F215 HydrophobicContact CG-CE2 4.47Å; P169-F215 HydrophobicContact CG-CG 3.91Å; L174-F215 HydrophobicContact CD1-CE2 4.36Å; L174-F215 HydrophobicContact CD1-CZ 4.42Å; I189-F215 HydrophobicContact CD1-CD2 4.38Å; I189-F215 HydrophobicContact CD1-CE2 3.94Å; I189-F215 HydrophobicContact CG1-CD2 4.33Å; I189-F215 HydrophobicContact CG1-CE2 4.15Å; I189-F215 HydrophobicContact CG2-CD2 3.76Å; I189-F215 HydrophobicContact CG2-CE2 4.37Å; I189-F215 HydrophobicContact CG2-CG 4.48Å; M191-F215 HydrophobicContact CG-CB 4.12Å; M191-F215 HydrophobicContact SD-CB 3.25Å; M191-F215 WeakPolarHBondContact SD-CB 3.43Å; M191-F215 HydrophobicContact SD-CG 4.34Å; F215-A217 HydrophobicContact CD2-CB 4.11Å; F215-A217 HydrophobicContact CE2-CB 3.82Å
216E93.8Very high77.9Confident51 Ų5168.7 Ų68.724%0.23835%0.354CS..EExtended strand (participates in β ladder)trans-105.2151.4166.263.1176.3-144.700110L151 E152 P190 F204L151-E216 CarbonylContact O-C 3.54Å; L151-E216 WeakPolarHBondContact O-CA 3.35Å; E152-E216 HydrophobicContact CG-CB 4.47Å; P190-E216 HydrophobicContact CB-CG 4.07Å; P190-E216 WeakPolarHBondContact CB-OE1 3.35Å; P190-E216 WeakPolarHBondContact CD-O 3.35Å; P190-E216 HydrophobicContact CG-CG 3.87Å; P190-E216 WeakPolarHBondContact CG-OE1 3.46Å; F204-E216 VanDerWaalsContact CE1-OE1 3.28Å; F204-E216 WeakPolarHBondContact CE1-OE1 3.45Å
217A96.9Very high80.7Confident0 Ų065.3 Ų65.30%033%0.333CS..EExtended strand (participates in β ladder)trans-148.2151.3178.800000111.9L151 L154 L174 D188 I189 F215L151-A217 PolarHBondContact N-O 3.34Å; L151-A217 PolarHBondContact O-N 2.99Å; L154-A217 HydrophobicContact CD1-CB 3.93Å; L174-A217 HydrophobicContact CD1-CB 4.26Å; L174-A217 HydrophobicContact CD2-CB 3.64Å; D188-A217 WeakPolarHBondContact O-CA 3.24Å; I189-A217 HydrophobicContact CG1-CB 4.31Å; F215-A217 HydrophobicContact CD2-CB 4.11Å; F215-A217 HydrophobicContact CE2-CB 3.82Å
218Y97.9Very high83.6Confident20 Ų2057.7 Ų57.78%0.07830%0.301CS..EExtended strand (participates in β ladder)trans-115.6130.8172.4-65-104.9000108.5T148 I149 H150 V187 D188 P190 D258 H262T148-Y218 HydrophobicContact CG2-CD1 4.38Å; I149-Y218 WeakPolarHBondContact O-CA 3.4Å; H150-Y218 HydrophobicContact CB-CD1 4.14Å; H150-Y218 HydrophobicContact CB-CE1 3.97Å; H150-Y218 AromaticContact CD2-CE1 3.55Å; H150-Y218 AromaticContact CD2-CE2 3.52Å; H150-Y218 AromaticContact CD2-CZ 3.26Å; H150-Y218 AromaticContact CG-CE1 3.81Å; H150-Y218 AromaticContact CG-CZ 3.92Å; H150-Y218 AromaticContact NE2-CE2 3.81Å; H150-Y218 AromaticContact NE2-CZ 3.59Å; H150-Y218 PolarHBondContact NE2-OH 2.86Å; V187-Y218 VanDerWaalsContact CA-O 3.29Å; V187-Y218 WeakPolarHBondContact CA-O 3.26Å; D188-Y218 PolarHBondContact N-O 3.46Å; D188-Y218 PolarHBondContact O-N 2.84Å; P190-Y218 HydrophobicContact CG-CD2 4.12Å; P190-Y218 HydrophobicContact CG-CE2 3.93Å; Y218-D258 HydrophobicContact CD1-CB 4.45Å; Y218-H262 HydrophobicContact CD1-CB 3.86Å; Y218-H262 AromaticContact CD1-CD2 3.39Å; Y218-H262 WeakPolarHBondContact CD1-CD2 3.39Å; Y218-H262 AromaticContact CD1-CG 3.81Å; Y218-H262 AromaticContact CD2-CD2 3.33Å; Y218-H262 WeakPolarHBondContact CD2-CD2 3.33Å; Y218-H262 AromaticContact CD2-NE2 3.3Å; Y218-H262 VanDerWaalsContact CD2-NE2 3.3Å; Y218-H262 WeakPolarHBondContact CD2-NE2 3.48Å; Y218-H262 HydrophobicContact CE1-CB 3.71Å; Y218-H262 AromaticContact CE1-CD2 3.8Å; Y218-H262 AromaticContact CE1-CG 3.77Å; Y218-H262 AromaticContact CE2-CD2 3.79Å; Y218-H262 AromaticContact CE2-NE2 3.74Å; Y218-H262 HydrophobicContact CG-CB 4.48Å; Y218-H262 AromaticContact CG-CD2 3.13Å; Y218-H262 AromaticContact CG-CG 3.96Å; Y218-H262 AromaticContact CG-NE2 3.6Å; Y218-H262 AromaticContact CZ-CD2 4Å; Y218-H262 AromaticContact CZ-CG 3.93Å
219V98.3Very high86.3Confident0 Ų059.2 Ų59.20%030%0.3CS..EExtended strand (participates in β ladder)trans-126.1116.1177.7-1790000108T148 I149 L151 L174 F178 I184 V187 Y221T148-V219 WeakPolarHBondContact CA-O 3.04Å; I149-V219 HydrophobicContact CD1-CB 4.15Å; I149-V219 HydrophobicContact CG1-CB 3.75Å; I149-V219 WeakPolarHBondContact CG1-O 3.45Å; I149-V219 PolarHBondContact N-O 3.45Å; I149-V219 PolarHBondContact O-N 3.32Å; L151-V219 HydrophobicContact CD1-CG2 4.17Å; L174-V219 HydrophobicContact CD2-CG2 4.01Å; L174-V219 HydrophobicContact CG-CG2 4.19Å; F178-V219 HydrophobicContact CB-CG1 4.16Å; F178-V219 HydrophobicContact CD2-CG2 4.4Å; F178-V219 HydrophobicContact CG-CG2 4.44Å; I184-V219 HydrophobicContact CD1-CG1 3.86Å; I184-V219 HydrophobicContact CG1-CG1 4.04Å; I184-V219 HydrophobicContact CG2-CG1 4.39Å; V187-V219 HydrophobicContact CG1-CG1 4.32Å; V187-V219 HydrophobicContact CG1-CG2 4.25Å; V219-Y221 HydrophobicContact CG1-CE2 4.15Å
220Q98.1Very high89.2Confident0 Ų047.9 Ų47.90%025%0.251CS..EExtended strand (participates in β ladder)trans-103.3123.6177.5178.418065.800109.8D147 T148 R185 N186 L263D147-Q220 WeakPolarHBondContact O-CA 3.48Å; T148-Q220 HydrophobicContact CG2-CB 4.37Å; T148-Q220 WeakPolarHBondContact OG1-CB 3.49Å; T148-Q220 WeakPolarHBondContact OG1-CG 3.41Å; R185-Q220 HydrophobicContact CB-CG 4.17Å; R185-Q220 PolarHBondContact N-O 3.47Å; N186-Q220 HydrophobicContact CB-CB 4.33Å; N186-Q220 PolarHBondContact N-O 3.43Å; N186-Q220 PolarHBondContact ND2-OE1 3.45Å; N186-Q220 PolarHBondContact O-N 2.82Å; Q220-L263 HydrophobicContact CB-CB 4.19Å; Q220-L263 HydrophobicContact CB-CD1 3.53Å; Q220-L263 HydrophobicContact CB-CG 4.49Å; Q220-L263 PolarHBondContact NE2-O 3.14Å
221Y98.3Very high91.7Very high0 Ų045 Ų450%022%0.22CC..EExtended strand (participates in β ladder)trans-86.9152.1173.8-64.7-83.5000110.9D147 I149 F178 F181 E183 I184 V219 F227 A230D147-Y221 PolarHBondContact O-N 2.97Å; I149-Y221 HydrophobicContact CD1-CE2 4.05Å; I149-Y221 HydrophobicContact CG1-CE2 4.2Å; I149-Y221 HydrophobicContact CG2-CE2 4.42Å; F178-Y221 PolarHBondContact O-OH 3.33Å; F181-Y221 HydrophobicContact CB-CE1 4Å; E183-Y221 WeakPolarHBondContact O-CA 3.46Å; I184-Y221 HydrophobicContact CG1-CD1 4.32Å; I184-Y221 HydrophobicContact CG1-CE1 4.17Å; V219-Y221 HydrophobicContact CG1-CE2 4.15Å; Y221-F227 HydrophobicContact CD2-CB 4.2Å; Y221-A230 HydrophobicContact CE2-CB 3.78Å; Y221-A230 WeakPolarHBondContact OH-CB 3.42Å
222R96.3Very high93.6Very high126 Ų12647 Ų4748%0.47523%0.228SC..SBendtrans-70.5-38.2172.5-71.7-170.9-174.8-179.74.2112.1R145 E183 R185R145-R222 PolarHBondContact NH2-O 3.16Å; E183-R222 VanDerWaalsContact CD-CD 3.44Å; E183-R222 HydrophobicContact CG-CG 4.33Å; E183-R222 PolarHBondContact O-N 2.96Å; E183-R222 IonicContact OE1-CZ 3.3Å; E183-R222 IonicContact OE1-NE 2.91Å; E183-R222 PolarHBondContact OE1-NE 3.3Å; E183-R222 IonicContact OE1-NH1 3.42Å; E183-R222 PolarHBondContact OE1-NH1 3.31Å; E183-R222 IonicContact OE1-NH2 3.26Å; E183-R222 PolarHBondContact OE1-NH2 2.84Å; E183-R222 VanDerWaalsContact OE2-CD 3.23Å; E183-R222 WeakPolarHBondContact OE2-CD 3.46Å; E183-R222 IonicContact OE2-CZ 3.15Å; E183-R222 IonicContact OE2-NE 3.99Å; E183-R222 IonicContact OE2-NH1 2.65Å; E183-R222 PolarHBondContact OE2-NH1 3.44Å; R185-R222 HydrophobicContact CB-CG 3.73Å; R185-R222 HydrophobicContact CG-CG 4.4Å
223E95.3Very high95.2Very high130 Ų13044.7 Ų44.761%0.60722%0.223SC*.SBendtrans-114.6146.1-175.2-60.9-174.217500112M225 G226E223-M225 PolarHBondContact O-N 3.16Å; E223-G226 PolarHBondContact O-N 2.69Å; E223-G226 VanDerWaalsContact O-N 3.08Å
224Y94.1Very high95.9Very high74 Ų7439.1 Ų39.129%0.2919%0.194SC..Hα-helixtrans-58.6-32.3174.7178.7-111.9000112.6D128 P146 G226 F227 I228D128-Y224 PolarHBondContact OD1-OH 3.09Å; D128-Y224 VanDerWaalsContact OD1-OH 3.12Å; P146-Y224 HydrophobicContact CB-CD2 4.35Å; P146-Y224 HydrophobicContact CB-CE2 4Å; P146-Y224 HydrophobicContact CG-CD2 4.3Å; P146-Y224 HydrophobicContact CG-CE2 3.89Å; P146-Y224 WeakPolarHBondContact O-CD2 3.41Å; Y224-G226 VanDerWaalsContact C-N 3.29Å; Y224-G226 PolarHBondContact O-N 3.4Å; Y224-F227 HydrophobicContact CD2-CD1 4.34Å; Y224-F227 HydrophobicContact CE2-CD1 4.25Å; Y224-F227 PolarHBondContact O-N 3.4Å; Y224-I228 HydrophobicContact CD1-CG1 3.96Å; Y224-I228 HydrophobicContact CD2-CG1 4.26Å; Y224-I228 HydrophobicContact CE1-CD1 4.02Å; Y224-I228 HydrophobicContact CE1-CG1 3.53Å; Y224-I228 HydrophobicContact CE2-CD1 3.89Å; Y224-I228 HydrophobicContact CE2-CG1 3.89Å; Y224-I228 HydrophobicContact CG-CG1 4.31Å; Y224-I228 WeakPolarHBondContact O-CG1 3.39Å; Y224-I228 PolarHBondContact O-N 3.28Å; Y224-I228 WeakPolarHBondContact OH-CD1 3.49Å
225M95.9Very high96.1Very high99 Ų9943.9 Ų43.949%0.48821%0.208SC..Hα-helixtrans-60.5-39.2176.2-72.8-62.497.900112.2E223 I228 Q229E223-M225 PolarHBondContact O-N 3.16Å; M225-I228 PolarHBondContact O-N 3.4Å; M225-Q229 WeakPolarHBondContact O-CB 3.31Å; M225-Q229 VanDerWaalsContact O-CG 3.28Å; M225-Q229 WeakPolarHBondContact O-CG 3.06Å; M225-Q229 PolarHBondContact O-N 2.99Å
226G97.1Very high96Very high3 Ų344.3 Ų44.33%0.03122%0.215CC..Hα-helixtrans-64.3-42.2177.300000112.7F181 E223 Y224 Q229 A230F181-G226 WeakPolarHBondContact O-CA 3.49Å; E223-G226 PolarHBondContact O-N 2.69Å; E223-G226 VanDerWaalsContact O-N 3.08Å; Y224-G226 VanDerWaalsContact C-N 3.29Å; Y224-G226 PolarHBondContact O-N 3.4Å; G226-Q229 PolarHBondContact O-N 3.39Å; G226-A230 WeakPolarHBondContact O-CB 3.34Å; G226-A230 PolarHBondContact O-N 2.92Å
227F97.3Very high96Very high0 Ų043.1 Ų43.10%021%0.21CC..Hα-helixtrans-60.1-48.1174172.4-94.6000112.3W127 P146 I149 Y221 Y224 Q229 A230 M231 F257W127-F227 AromaticContact CD2-CE1 3.98Å; W127-F227 HydrophobicContact CD2-CE1 3.98Å; W127-F227 HydrophobicContact CD2-CZ 4.24Å; W127-F227 AromaticContact CE2-CE1 3.8Å; W127-F227 HydrophobicContact CG-CE1 4.14Å; W127-F227 HydrophobicContact CG-CZ 4.33Å; W127-F227 HydrophobicContact CZ2-CE1 4.33Å; W127-F227 AromaticContact NE1-CE1 3.89Å; P146-F227 HydrophobicContact CB-CD1 4.09Å; P146-F227 HydrophobicContact CB-CE1 3.69Å; P146-F227 HydrophobicContact CB-CZ 4.02Å; P146-F227 WeakPolarHBondContact O-CB 3.24Å; P146-F227 WeakPolarHBondContact O-CD1 3.28Å; P146-F227 WeakPolarHBondContact O-CG 3.29Å; I149-F227 HydrophobicContact CG2-CD2 3.59Å; I149-F227 HydrophobicContact CG2-CE2 3.66Å; Y221-F227 HydrophobicContact CD2-CB 4.2Å; Y224-F227 HydrophobicContact CD2-CD1 4.34Å; Y224-F227 HydrophobicContact CE2-CD1 4.25Å; Y224-F227 PolarHBondContact O-N 3.4Å; F227-Q229 PolarHBondContact O-N 3.29Å; F227-A230 PolarHBondContact O-N 3.24Å; F227-M231 HydrophobicContact CD1-CG 4.36Å; F227-M231 HydrophobicContact CD2-CG 4.28Å; F227-M231 HydrophobicContact CE1-CG 3.97Å; F227-M231 HydrophobicContact CE2-CG 3.89Å; F227-M231 HydrophobicContact CE2-SD 4.37Å; F227-M231 HydrophobicContact CZ-CG 3.72Å; F227-M231 HydrophobicContact CZ-SD 4.38Å; F227-M231 WeakPolarHBondContact O-CB 3.4Å; F227-M231 WeakPolarHBondContact O-CG 3.26Å; F227-M231 PolarHBondContact O-N 3.05Å; F227-F257 HydrophobicContact CE2-CB 4.04Å; F227-F257 HydrophobicContact CZ-CB 3.85Å
228I96.6Very high95.8Very high38 Ų3843.6 Ų43.620%0.19521%0.212CC..Hα-helixtrans-65.2-41.4-179.7-66.9-65000111.9W127 Y224 M225 M231 S232W127-I228 HydrophobicContact CH2-CD1 4.5Å; W127-I228 HydrophobicContact CZ2-CD1 3.42Å; W127-I228 VanDerWaalsContact CZ2-CD1 3.42Å; Y224-I228 HydrophobicContact CD1-CG1 3.96Å; Y224-I228 HydrophobicContact CD2-CG1 4.26Å; Y224-I228 HydrophobicContact CE1-CD1 4.02Å; Y224-I228 HydrophobicContact CE1-CG1 3.53Å; Y224-I228 HydrophobicContact CE2-CD1 3.89Å; Y224-I228 HydrophobicContact CE2-CG1 3.89Å; Y224-I228 HydrophobicContact CG-CG1 4.31Å; Y224-I228 WeakPolarHBondContact O-CG1 3.39Å; Y224-I228 PolarHBondContact O-N 3.28Å; Y224-I228 WeakPolarHBondContact OH-CD1 3.49Å; M225-I228 PolarHBondContact O-N 3.4Å; I228-M231 PolarHBondContact O-N 3.34Å; I228-S232 VanDerWaalsContact O-CB 3.23Å; I228-S232 WeakPolarHBondContact O-CB 3.11Å; I228-S232 PolarHBondContact O-N 2.84Å
229Q97.1Very high95.7Very high105 Ų10542.7 Ų42.749%0.49121%0.208SC..Hα-helixtrans-62.3-44.9176.5-73.5-177.716.400111.3F181 M225 G226 F227 S232 A233F181-Q229 HydrophobicContact CB-CB 4.27Å; F181-Q229 HydrophobicContact CD1-CB 4.47Å; F181-Q229 PolarHBondContact O-OE1 3.07Å; M225-Q229 WeakPolarHBondContact O-CB 3.31Å; M225-Q229 VanDerWaalsContact O-CG 3.28Å; M225-Q229 WeakPolarHBondContact O-CG 3.06Å; M225-Q229 PolarHBondContact O-N 2.99Å; G226-Q229 PolarHBondContact O-N 3.39Å; F227-Q229 PolarHBondContact O-N 3.29Å; Q229-S232 PolarHBondContact O-N 3.03Å; Q229-A233 VanDerWaalsContact O-CB 3.24Å; Q229-A233 WeakPolarHBondContact O-CB 3.43Å; Q229-A233 PolarHBondContact O-N 3.25Å
230A97.3Very high95.5Very high0 Ų042.7 Ų42.70%021%0.208CC..Hα-helixtrans-62.2-50.3176.600000112I149 F181 Y221 G226 F227 S232 A233 L234I149-A230 HydrophobicContact CD1-CB 4.25Å; F181-A230 HydrophobicContact CB-CB 3.87Å; F181-A230 HydrophobicContact CD2-CB 3.75Å; F181-A230 HydrophobicContact CE2-CB 4.42Å; F181-A230 HydrophobicContact CG-CB 3.79Å; Y221-A230 HydrophobicContact CE2-CB 3.78Å; Y221-A230 WeakPolarHBondContact OH-CB 3.42Å; G226-A230 WeakPolarHBondContact O-CB 3.34Å; G226-A230 PolarHBondContact O-N 2.92Å; F227-A230 PolarHBondContact O-N 3.24Å; A230-S232 VanDerWaalsContact C-N 3.3Å; A230-S232 PolarHBondContact O-N 3.01Å; A230-A233 PolarHBondContact O-N 3.27Å; A230-L234 WeakPolarHBondContact O-CB 3.25Å; A230-L234 WeakPolarHBondContact O-CD1 3.25Å; A230-L234 WeakPolarHBondContact O-CG 3.38Å; A230-L234 PolarHBondContact O-N 3.1Å
231M96.3Very high95.4Very high2 Ų245.2 Ų45.21%0.0122%0.218CC..Hα-helixtrans-60.6-39.8178.5-71.5-64.4-76.800111.7F121 P122 W127 I149 F227 I228 R235 V255F121-M231 HydrophobicContact CE1-CE 3.79Å; F121-M231 WeakPolarHBondContact CE1-O 3.34Å; F121-M231 HydrophobicContact CZ-CE 3.91Å; F121-M231 WeakPolarHBondContact CZ-O 3.09Å; F121-M231 HydrophobicContact CZ-SD 4.15Å; P122-M231 HydrophobicContact CB-CE 4.04Å; P122-M231 HydrophobicContact CG-CE 4.27Å; W127-M231 HydrophobicContact CE3-CE 3.88Å; W127-M231 HydrophobicContact CH2-CB 4.15Å; W127-M231 HydrophobicContact CH2-CE 4.48Å; W127-M231 HydrophobicContact CZ3-CB 4.39Å; W127-M231 HydrophobicContact CZ3-CE 3.6Å; I149-M231 HydrophobicContact CG2-CG 4.07Å; I149-M231 HydrophobicContact CG2-SD 3.81Å; F227-M231 HydrophobicContact CD1-CG 4.36Å; F227-M231 HydrophobicContact CD2-CG 4.28Å; F227-M231 HydrophobicContact CE1-CG 3.97Å; F227-M231 HydrophobicContact CE2-CG 3.89Å; F227-M231 HydrophobicContact CE2-SD 4.37Å; F227-M231 HydrophobicContact CZ-CG 3.72Å; F227-M231 HydrophobicContact CZ-SD 4.38Å; F227-M231 WeakPolarHBondContact O-CB 3.4Å; F227-M231 WeakPolarHBondContact O-CG 3.26Å; F227-M231 PolarHBondContact O-N 3.05Å; I228-M231 PolarHBondContact O-N 3.34Å; M231-R235 WeakPolarHBondContact O-CB 3.49Å; M231-R235 PolarHBondContact O-N 3.48Å; M231-V255 HydrophobicContact SD-CG1 3.91Å
232S95.3Very high95.2Very high87 Ų8748.6 Ų48.661%0.60823%0.233SC*.Hα-helixtrans-68.6-41.5177.2-172.40000112.5I228 Q229 A230I228-S232 VanDerWaalsContact O-CB 3.23Å; I228-S232 WeakPolarHBondContact O-CB 3.11Å; I228-S232 PolarHBondContact O-N 2.84Å; Q229-S232 PolarHBondContact O-N 3.03Å; A230-S232 VanDerWaalsContact C-N 3.3Å; A230-S232 PolarHBondContact O-N 3.01Å
233A96Very high94.8Very high34 Ų3443.2 Ų43.228%0.28122%0.217SC..Hα-helixtrans-73.3-34.3-177.700000112.8F181 Q229 A230 M237F181-A233 HydrophobicContact CD1-CB 4.08Å; F181-A233 HydrophobicContact CE1-CB 3.27Å; F181-A233 HydrophobicContact CZ-CB 3.78Å; Q229-A233 VanDerWaalsContact O-CB 3.24Å; Q229-A233 WeakPolarHBondContact O-CB 3.43Å; Q229-A233 PolarHBondContact O-N 3.25Å; A230-A233 PolarHBondContact O-N 3.27Å; A233-M237 WeakPolarHBondContact O-CG 3.49Å
234L95.4Very high94.3Very high3 Ų345.7 Ų45.72%0.01623%0.229CC..Hα-helixtrans-83-15.6-179.8-63.3167.7000112.7L24 I149 L151 F178 A230 G236 M237 I253 V255L24-L234 HydrophobicContact CD1-CD2 4.06Å; L24-L234 HydrophobicContact CD2-CD2 3.87Å; I149-L234 HydrophobicContact CD1-CD1 4.21Å; L151-L234 HydrophobicContact CD2-CD1 4.15Å; F178-L234 HydrophobicContact CE1-CD1 4.05Å; F178-L234 HydrophobicContact CE1-CD2 4.32Å; A230-L234 WeakPolarHBondContact O-CB 3.25Å; A230-L234 WeakPolarHBondContact O-CD1 3.25Å; A230-L234 WeakPolarHBondContact O-CG 3.38Å; A230-L234 PolarHBondContact O-N 3.1Å; L234-G236 PolarHBondContact O-N 2.82Å; L234-G236 VanDerWaalsContact O-N 3.16Å; L234-M237 PolarHBondContact O-N 2.92Å; L234-M237 VanDerWaalsContact O-N 3.12Å; L234-I253 HydrophobicContact CD2-CD1 4.19Å; L234-V255 HydrophobicContact CB-CG1 4.38Å; L234-V255 HydrophobicContact CB-CG2 4.11Å; L234-V255 HydrophobicContact CD1-CG1 3.98Å; L234-V255 HydrophobicContact CD1-CG2 4.25Å
235R92.9Very high93.9Very high141 Ų14146.9 Ų46.953%0.53224%0.24SC..THydrogen-bonded Turntrans-60.5118.2-179-178.1174.9-174.3-164.23.3111.5F121 M231 M237F121-R235 HydrophobicContact CB-CG 4.27Å; F121-R235 HydrophobicContact CD1-CB 3.86Å; F121-R235 HydrophobicContact CD1-CG 3.59Å; F121-R235 HydrophobicContact CD2-CB 4.36Å; F121-R235 HydrophobicContact CD2-CG 4.34Å; F121-R235 HydrophobicContact CE1-CB 3.73Å; F121-R235 HydrophobicContact CE1-CG 4Å; F121-R235 HydrophobicContact CE2-CB 4.17Å; F121-R235 HydrophobicContact CG-CB 4.21Å; F121-R235 HydrophobicContact CG-CG 3.81Å; F121-R235 HydrophobicContact CZ-CB 3.89Å; M231-R235 WeakPolarHBondContact O-CB 3.49Å; M231-R235 PolarHBondContact O-N 3.48Å; R235-M237 PolarHBondContact O-N 2.9Å
236G90.3Very high93.3Very high17 Ų1745.5 Ų45.518%0.17525%0.251CS..THydrogen-bonded Turntrans66.722.1178.100000113.6I27 L234I27-G236 WeakPolarHBondContact CB-O 3.4Å; I27-G236 PolarHBondContact N-O 3.21Å; L234-G236 PolarHBondContact O-N 2.82Å; L234-G236 VanDerWaalsContact O-N 3.16Å
237M92.9Very high93Very high27 Ų2751.5 Ų51.513%0.13328%0.277CS..EExtended strand (participates in β ladder)trans-110.7149.2175.5-56.3-60.8-94.200110.7V14 L24 K25 P26 I27 A233 L234 R235V14-M237 HydrophobicContact CB-CE 4.39Å; V14-M237 HydrophobicContact CG2-CE 4.08Å; L24-M237 HydrophobicContact CB-CB 4.09Å; L24-M237 HydrophobicContact CB-CE 3.65Å; L24-M237 HydrophobicContact CB-CG 4.27Å; L24-M237 HydrophobicContact CD2-CB 4.27Å; K25-M237 CarbonylContact O-C 3.51Å; K25-M237 WeakPolarHBondContact O-CA 3.49Å; P26-M237 WeakPolarHBondContact CA-SD 3.36Å; P26-M237 HydrophobicContact CB-SD 4.05Å; P26-M237 HydrophobicContact CG-CE 3.94Å; P26-M237 HydrophobicContact CG-SD 3.82Å; I27-M237 VanDerWaalsContact CD1-C 3.48Å; I27-M237 WeakPolarHBondContact CD1-O 3.34Å; A233-M237 WeakPolarHBondContact O-CG 3.49Å; L234-M237 PolarHBondContact O-N 2.92Å; L234-M237 VanDerWaalsContact O-N 3.12Å; R235-M237 PolarHBondContact O-N 2.9Å
238K92.6Very high92.8Very high9 Ų951.9 Ų51.94%0.03928%0.279CS..EExtended strand (participates in β ladder)trans-107.5150.116656.1179.9-178.6-177.30109L24 K25 I27 E82 A250 C251L24-K238 WeakPolarHBondContact CA-O 3.35Å; K25-K238 HydrophobicContact CB-CG 4.19Å; K25-K238 PolarHBondContact N-O 3.09Å; K25-K238 VanDerWaalsContact O-CG 3.29Å; K25-K238 WeakPolarHBondContact O-CG 3.44Å; K25-K238 PolarHBondContact O-N 3.32Å; I27-K238 HydrophobicContact CD1-CB 3.98Å; I27-K238 HydrophobicContact CG1-CB 3.67Å; I27-K238 HydrophobicContact CG1-CD 4.28Å; I27-K238 HydrophobicContact CG1-CG 3.87Å; E82-K238 IonicContact OE1-NZ 3.95Å; E82-K238 PolarHBondContact OE1-NZ 3.31Å; K238-A250 HydrophobicContact CD-CB 3.78Å; K238-A250 HydrophobicContact CG-CB 4.17Å; K238-C251 WeakPolarHBondContact CB-O 3.23Å
239L95.6Very high92.6Very high1 Ų151.8 Ų51.81%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-77.4133.4177-171.166.8000108.8L16 L22 L24 L154 W158 F159 A250 C251 I253L16-L239 HydrophobicContact CD2-CD1 3.66Å; L22-L239 HydrophobicContact CD2-CD1 4.16Å; L22-L239 HydrophobicContact CD2-CD2 4.24Å; L22-L239 HydrophobicContact CD2-CG 4.2Å; L24-L239 HydrophobicContact CD2-CD1 4.18Å; L154-L239 HydrophobicContact CD2-CD2 4.21Å; W158-L239 HydrophobicContact CE3-CD2 3.63Å; W158-L239 HydrophobicContact CE3-CG 3.93Å; W158-L239 HydrophobicContact CZ3-CB 4.11Å; W158-L239 HydrophobicContact CZ3-CD2 3.87Å; W158-L239 HydrophobicContact CZ3-CG 3.77Å; F159-L239 HydrophobicContact CE2-CD2 3.62Å; F159-L239 HydrophobicContact CZ-CD2 3.85Å; L239-A250 CarbonylContact O-C 3.57Å; L239-A250 WeakPolarHBondContact O-CA 3.28Å; L239-A250 WeakPolarHBondContact O-CB 3.43Å; L239-C251 PolarHBondContact N-O 3.19Å; L239-C251 PolarHBondContact O-N 3.11Å; L239-I253 HydrophobicContact CB-CD1 4.45Å; L239-I253 HydrophobicContact CB-CG2 3.92Å; L239-I253 HydrophobicContact CD2-CG2 4.46Å
240M95.5Very high92.4Very high0 Ų046.8 Ų46.80%026%0.257CS..EExtended strand (participates in β ladder)trans-123.7135.2178.3-173.7-176.974.100109.8V7 T10 A13 Y23 K25 K242 A248 V249 A250V7-M240 HydrophobicContact CB-SD 4.31Å; V7-M240 HydrophobicContact CG1-SD 4.01Å; V7-M240 HydrophobicContact CG2-CG 4.35Å; V7-M240 HydrophobicContact CG2-SD 4.25Å; T10-M240 HydrophobicContact CG2-CE 4.2Å; T10-M240 HydrophobicContact CG2-SD 3.98Å; A13-M240 HydrophobicContact CB-CE 3.29Å; A13-M240 HydrophobicContact CB-SD 4.31Å; Y23-M240 HydrophobicContact CD2-CE 4.26Å; Y23-M240 HydrophobicContact CG-CE 3.97Å; Y23-M240 PolarHBondContact N-O 3.38Å; Y23-M240 PolarHBondContact O-N 3.12Å; K25-M240 HydrophobicContact CB-CB 4.41Å; K25-M240 HydrophobicContact CB-SD 4.43Å; K25-M240 HydrophobicContact CD-SD 4.29Å; M240-K242 HydrophobicContact CE-CD 4.35Å; M240-K242 VanDerWaalsContact CE-CE 3.41Å; M240-K242 HydrophobicContact CE-CG 4.08Å; M240-A248 HydrophobicContact SD-CB 4.2Å; M240-V249 CarbonylContact C-O 3.55Å; M240-V249 VanDerWaalsContact CA-O 3.29Å; M240-V249 WeakPolarHBondContact CA-O 3.48Å; M240-V249 WeakPolarHBondContact CG-O 3.43Å; M240-A250 HydrophobicContact CB-CB 4.12Å; M240-A250 HydrophobicContact CG-CB 4.22Å
241Y95Very high92.1Very high53 Ų5346.9 Ų46.921%0.20826%0.258CS..EExtended strand (participates in β ladder)trans-112130.5173.7178.2-100.5000109.9Y20 G21 L22 W158 A248 V249Y20-Y241 VanDerWaalsContact O-CE2 3.24Å; Y20-Y241 WeakPolarHBondContact O-CE2 3.43Å; G21-Y241 CarbonylContact O-C 3.5Å; G21-Y241 VanDerWaalsContact O-CA 3.29Å; G21-Y241 WeakPolarHBondContact O-CA 3.33Å; L22-Y241 HydrophobicContact CD2-CD2 4.17Å; W158-Y241 HydrophobicContact CD2-CG 4.16Å; W158-Y241 HydrophobicContact CG-CD2 4.25Å; W158-Y241 HydrophobicContact CG-CG 4.21Å; Y241-A248 WeakPolarHBondContact O-CA 3.18Å; Y241-V249 HydrophobicContact CD1-CG2 4.25Å; Y241-V249 PolarHBondContact N-O 3.22Å; Y241-V249 PolarHBondContact O-N 3.44Å
242K94.4Very high91.9Very high71 Ų7149.2 Ų49.231%0.30927%0.27SS..EExtended strand (participates in β ladder)trans-102.4113.2169.5-64.6-171.9-176.7-178.70108.4G21 Y23 M240 A248G21-K242 PolarHBondContact O-N 3.45Å; Y23-K242 HydrophobicContact CD2-CB 4.35Å; Y23-K242 HydrophobicContact CD2-CD 3.99Å; Y23-K242 HydrophobicContact CD2-CG 3.81Å; Y23-K242 HydrophobicContact CE1-CD 4.48Å; Y23-K242 HydrophobicContact CE2-CB 3.93Å; Y23-K242 HydrophobicContact CE2-CD 3.6Å; Y23-K242 HydrophobicContact CE2-CG 3.7Å; M240-K242 HydrophobicContact CE-CD 4.35Å; M240-K242 VanDerWaalsContact CE-CE 3.41Å; M240-K242 HydrophobicContact CE-CG 4.08Å; K242-A248 HydrophobicContact CG-CB 4.37Å
243G88.1Confident91.8Very high14 Ų1446 Ų4614%0.14425%0.246CC..  trans-75163.5175.800000112.5D245 G246 K247G243-D245 PolarHBondContact O-N 3.39Å; G243-G246 PolarHBondContact O-N 3.01Å; G243-G246 VanDerWaalsContact O-N 3.11Å; G243-K247 PolarHBondContact N-O 3.35Å
244E85.1Confident91.6Very high181 Ų18150 Ų5085%0.84626%0.257SS*.THydrogen-bonded Turntrans-65.2-23174.7-65.4175.2-172.700112.2G246E244-G246 PolarHBondContact O-N 3.39Å
245D84.8Confident91.6Very high99 Ų9950.3 Ų50.353%0.52926%0.259SS..THydrogen-bonded Turntrans-75.75.1174.167.8-24.9000113.5G243 K247G243-D245 PolarHBondContact O-N 3.39Å; D245-K247 PolarHBondContact O-N 2.84Å; D245-K247 PolarHBondContact OD1-N 3.04Å; D245-K247 WeakPolarHBondContact OD2-CD 3.44Å; D245-K247 VanDerWaalsContact OD2-CG 3.25Å; D245-K247 WeakPolarHBondContact OD2-CG 3.21Å; D245-K247 IonicContact OD2-NZ 2.68Å; D245-K247 PolarHBondContact OD2-NZ 3.08Å
246G83.3Confident91.8Very high70 Ų7044.9 Ų44.972%0.72224%0.243SC*.SBendtrans74.60.3-178.300000113.9G243 E244G243-G246 PolarHBondContact O-N 3.01Å; G243-G246 VanDerWaalsContact O-N 3.11Å; E244-G246 PolarHBondContact O-N 3.39Å
247K90.7Very high92Very high130 Ų13045.6 Ų45.657%0.56524%0.241SC*.  trans-80139176.7-61.8-164.5-164.495.80110.5G243 D245G243-K247 PolarHBondContact N-O 3.35Å; D245-K247 PolarHBondContact O-N 2.84Å; D245-K247 PolarHBondContact OD1-N 3.04Å; D245-K247 WeakPolarHBondContact OD2-CD 3.44Å; D245-K247 VanDerWaalsContact OD2-CG 3.25Å; D245-K247 WeakPolarHBondContact OD2-CG 3.21Å; D245-K247 IonicContact OD2-NZ 2.68Å; D245-K247 PolarHBondContact OD2-NZ 3.08Å
248A92.9Very high92.1Very high7 Ų744.7 Ų44.76%0.05824%0.237CC..EExtended strand (participates in β ladder)trans-108.9133.4173.400000110.2V7 T10 M240 Y241 K242V7-A248 HydrophobicContact CB-CB 3.99Å; V7-A248 PolarHBondContact N-O 3.03Å; T10-A248 HydrophobicContact CG2-CB 3.51Å; M240-A248 HydrophobicContact SD-CB 4.2Å; Y241-A248 WeakPolarHBondContact O-CA 3.18Å; K242-A248 HydrophobicContact CG-CB 4.37Å
249V93.1Very high92.1Very high37 Ų3747.2 Ų47.222%0.22426%0.256CS..EExtended strand (participates in β ladder)trans-131145.2175.2-70.30000109.8A4 T5 I6 W158 M240 Y241A4-V249 HydrophobicContact CB-CB 4.35Å; T5-V249 CarbonylContact O-C 3.59Å; T5-V249 WeakPolarHBondContact O-CA 3.38Å; I6-V249 HydrophobicContact CG1-CG1 4.38Å; W158-V249 HydrophobicContact CH2-CG2 4.28Å; W158-V249 HydrophobicContact CZ2-CB 4.36Å; W158-V249 HydrophobicContact CZ2-CG2 3.54Å; M240-V249 CarbonylContact C-O 3.55Å; M240-V249 VanDerWaalsContact CA-O 3.29Å; M240-V249 WeakPolarHBondContact CA-O 3.48Å; M240-V249 WeakPolarHBondContact CG-O 3.43Å; Y241-V249 HydrophobicContact CD1-CG2 4.25Å; Y241-V249 PolarHBondContact N-O 3.22Å; Y241-V249 PolarHBondContact O-N 3.44Å
250A92.7Very high91.9Very high0 Ų051.1 Ų51.10%028%0.28CS..EExtended strand (participates in β ladder)trans-130.4143.4179.500000112.7A4 T5 V7 K238 L239 M240A4-A250 CarbonylContact C-O 3.5Å; A4-A250 WeakPolarHBondContact CA-O 3.46Å; T5-A250 PolarHBondContact N-O 2.93Å; T5-A250 PolarHBondContact O-N 3.43Å; T5-A250 PolarHBondContact OG1-O 3.13Å; V7-A250 HydrophobicContact CG2-CB 3.47Å; V7-A250 VanDerWaalsContact CG2-CB 3.47Å; K238-A250 HydrophobicContact CD-CB 3.78Å; K238-A250 HydrophobicContact CG-CB 4.17Å; L239-A250 CarbonylContact O-C 3.57Å; L239-A250 WeakPolarHBondContact O-CA 3.28Å; L239-A250 WeakPolarHBondContact O-CB 3.43Å; M240-A250 HydrophobicContact CB-CB 4.12Å; M240-A250 HydrophobicContact CG-CB 4.22Å
251C91.3Very high91.8Very high1 Ų152.9 Ų52.91%0.00729%0.287CS..EExtended strand (participates in β ladder)trans-125.9143175.369.60000110.7P155 W158 K238 L239P155-C251 WeakPolarHBondContact CD-SG 3.1Å; P155-C251 HydrophobicContact CG-CB 4.12Å; P155-C251 WeakPolarHBondContact CG-SG 3.39Å; W158-C251 HydrophobicContact CH2-CB 3.99Å; W158-C251 HydrophobicContact CZ3-CB 4.32Å; W158-C251 WeakPolarHBondContact CZ3-SG 3.42Å; K238-C251 WeakPolarHBondContact CB-O 3.23Å; L239-C251 PolarHBondContact N-O 3.19Å; L239-C251 PolarHBondContact O-N 3.11Å
252N90.9Very high91.7Very high51 Ų5151 Ų5127%0.27328%0.28SS..  trans-74.1131.1171.7-67.8-52.8000109.4A2A2-N252 HydrophobicContact CB-CB 4.34Å; A2-N252 VanDerWaalsContact CB-O 3.27Å; A2-N252 WeakPolarHBondContact CB-O 3.33Å
253I93.2Very high91.8Very high21 Ų2147.7 Ų47.711%0.10827%0.266CS..  trans-114.3148.2173.562.5170.1000108.2L154 L234 L239 V255L154-I253 HydrophobicContact CD2-CG2 3.97Å; L234-I253 HydrophobicContact CD2-CD1 4.19Å; L239-I253 HydrophobicContact CB-CD1 4.45Å; L239-I253 HydrophobicContact CB-CG2 3.92Å; L239-I253 HydrophobicContact CD2-CG2 4.46Å; I253-V255 HydrophobicContact CD1-CG2 3.97Å; I253-V255 HydrophobicContact CG1-CG2 4.12Å
254K93.8Very high92.1Very high116 Ų11647.1 Ų47.150%0.50426%0.26SS..EExtended strand (participates in β ladder)trans-103.5132.5172.2173.6-176170.8-142.20108L151 E152L151-K254 WeakPolarHBondContact CA-O 3.45Å; E152-K254 HydrophobicContact CB-CB 4.2Å; E152-K254 PolarHBondContact N-O 2.92Å; E152-K254 PolarHBondContact O-N 3.16Å; E152-K254 IonicContact OE1-NZ 2.97Å; E152-K254 PolarHBondContact OE1-NZ 3.44Å; E152-K254 IonicContact OE2-NZ 3.72Å; E152-K254 PolarHBondContact OE2-NZ 3.43Å
255V95.5Very high92.5Very high11 Ų1141.7 Ų41.77%0.06724%0.237CC..EExtended strand (participates in β ladder)trans-126.3126.9-176.8-175.10000108F121 H150 L151 M231 L234 I253F121-V255 HydrophobicContact CE2-CB 3.79Å; F121-V255 HydrophobicContact CE2-CG1 4.15Å; F121-V255 HydrophobicContact CZ-CB 4.39Å; F121-V255 HydrophobicContact CZ-CG1 4.25Å; H150-V255 WeakPolarHBondContact O-CA 3.24Å; L151-V255 HydrophobicContact CD2-CB 4.25Å; L151-V255 HydrophobicContact CD2-CG1 3.95Å; L151-V255 HydrophobicContact CD2-CG2 3.69Å; M231-V255 HydrophobicContact SD-CG1 3.91Å; L234-V255 HydrophobicContact CB-CG1 4.38Å; L234-V255 HydrophobicContact CB-CG2 4.11Å; L234-V255 HydrophobicContact CD1-CG1 3.98Å; L234-V255 HydrophobicContact CD1-CG2 4.25Å; I253-V255 HydrophobicContact CD1-CG2 3.97Å; I253-V255 HydrophobicContact CG1-CG2 4.12Å
256S96Very high93Very high26 Ų2640 Ų4018%0.18224%0.237CC..EExtended strand (participates in β ladder)trans-137.4169.2173.662.10000110.4H150H150-S256 PolarHBondContact N-O 3.06Å; H150-S256 PolarHBondContact O-N 3.49Å
257F95.2Very high93.5Very high33 Ų3338.4 Ų38.415%0.14522%0.215CC..EExtended strand (participates in β ladder)trans-83.8153.9165.263.9-89000109.6P122 W127 F130 F131 F227 S259P122-F257 HydrophobicContact CB-CD1 3.96Å; P122-F257 HydrophobicContact CB-CE1 4.11Å; P122-F257 HydrophobicContact CG-CD1 4.25Å; P122-F257 HydrophobicContact CG-CE1 4.49Å; W127-F257 HydrophobicContact CB-CB 4.47Å; W127-F257 HydrophobicContact CB-CD1 3.74Å; W127-F257 HydrophobicContact CB-CD2 4.24Å; W127-F257 HydrophobicContact CB-CE1 3.93Å; W127-F257 HydrophobicContact CB-CE2 4.41Å; W127-F257 HydrophobicContact CB-CG 3.9Å; W127-F257 HydrophobicContact CB-CZ 4.26Å; F130-F257 HydrophobicContact CB-CE2 3.98Å; F130-F257 HydrophobicContact CB-CZ 3.97Å; F130-F257 HydrophobicContact CD1-CD2 4.34Å; F130-F257 AromaticContact CD1-CE2 3.53Å; F130-F257 HydrophobicContact CD1-CE2 3.53Å; F130-F257 HydrophobicContact CD1-CZ 4.36Å; F130-F257 HydrophobicContact CD2-CE2 4.34Å; F130-F257 HydrophobicContact CE1-CE2 4.1Å; F130-F257 AromaticContact CG-CE2 3.67Å; F130-F257 HydrophobicContact CG-CE2 3.67Å; F130-F257 HydrophobicContact CG-CZ 4.05Å; F131-F257 AromaticContact CE2-CD2 3.78Å; F131-F257 HydrophobicContact CE2-CD2 3.78Å; F131-F257 HydrophobicContact CE2-CE2 4.27Å; F131-F257 HydrophobicContact CZ-CD2 4.1Å; F227-F257 HydrophobicContact CE2-CB 4.04Å; F227-F257 HydrophobicContact CZ-CB 3.85Å; F257-S259 PolarHBondContact O-N 3.37Å
258D94.8Very high93.6Very high7 Ų733.7 Ų33.74%0.03720%0.195CC..  trans-75.9123.1175.2-178.424.1000110.8F131 T148 Y218 T260 K261 H262F131-D258 WeakPolarHBondContact CZ-O 3.35Å; T148-D258 HydrophobicContact CG2-CB 3.67Å; T148-D258 PolarHBondContact O-N 3.33Å; Y218-D258 HydrophobicContact CD1-CB 4.45Å; D258-T260 WeakPolarHBondContact OD1-CA 3.21Å; D258-T260 WeakPolarHBondContact OD1-CB 3.39Å; D258-T260 PolarHBondContact OD1-N 3.08Å; D258-T260 PolarHBondContact OD1-OG1 2.98Å; D258-K261 PolarHBondContact OD2-N 2.96Å; D258-H262 WeakPolarHBondContact OD2-CB 3.39Å; D258-H262 PolarHBondContact OD2-N 2.98Å
259S91.9Very high93.7Very high62 Ų6240 Ų4043%0.43422%0.221SC..SBendtrans-1052.9174.857.40000113M137 F257M137-S259 VanDerWaalsContact CE-O 3.27Å; M137-S259 WeakPolarHBondContact CE-O 3.47Å; F257-S259 PolarHBondContact O-N 3.37Å
260T91.5Very high93.7Very high83 Ų8344.5 Ų44.551%0.50924%0.238SC..SBendtrans-113.4-2.3-167.268.70000114.6D258 H262D258-T260 WeakPolarHBondContact OD1-CA 3.21Å; D258-T260 WeakPolarHBondContact OD1-CB 3.39Å; D258-T260 PolarHBondContact OD1-N 3.08Å; D258-T260 PolarHBondContact OD1-OG1 2.98Å; T260-H262 VanDerWaalsContact C-N 3.26Å; T260-H262 PolarHBondContact O-N 2.91Å
261K93.4Very high93.7Very high38 Ų3845.7 Ų45.717%0.16524%0.242CC..  trans6133.5-175.3-47.3176.6-176.9155.90112.7D136 M137 G143 E144 D258 L263 S264 S267D136-K261 VanDerWaalsContact O-CE 3.26Å; D136-K261 WeakPolarHBondContact O-CE 3.48Å; D136-K261 PolarHBondContact O-NZ 3.02Å; D136-K261 WeakPolarHBondContact OD2-CE 3.41Å; D136-K261 IonicContact OD2-NZ 3.4Å; D136-K261 PolarHBondContact OD2-NZ 2.92Å; M137-K261 HydrophobicContact CE-CD 4.14Å; M137-K261 HydrophobicContact CE-CG 3.47Å; M137-K261 VanDerWaalsContact CE-CG 3.47Å; M137-K261 HydrophobicContact SD-CD 3.9Å; M137-K261 WeakPolarHBondContact SD-CE 3.34Å; M137-K261 HydrophobicContact SD-CG 3.48Å; M137-K261 WeakPolarHBondContact SD-CG 3.37Å; G143-K261 WeakPolarHBondContact O-CA 3.34Å; E144-K261 HydrophobicContact CG-CB 4.46Å; E144-K261 HydrophobicContact CG-CD 3.92Å; E144-K261 HydrophobicContact CG-CG 4.01Å; D258-K261 PolarHBondContact OD2-N 2.96Å; K261-L263 VanDerWaalsContact C-N 3.28Å; K261-L263 PolarHBondContact O-N 3.4Å; K261-S264 WeakPolarHBondContact O-CB 2.94Å; K261-S264 PolarHBondContact O-N 3.05Å; K261-S264 VanDerWaalsContact O-N 3.09Å; K261-S264 PolarHBondContact O-OG 3.41Å; K261-S267 WeakPolarHBondContact O-CB 3.46Å; K261-S267 PolarHBondContact O-OG 3.27Å
262H93.7Very high93.7Very high12 Ų1250.5 Ų50.56%0.05626%0.264CS..THydrogen-bonded Turntrans-62.7-36.8-171.6173.480.4000112.3D188 R196 Y218 D258 T260 R271D188-H262 VanDerWaalsContact CG-NE2 3.34Å; D188-H262 IonicContact OD2-CD2 3.4Å; D188-H262 IonicContact OD2-CE1 2.76Å; D188-H262 PolarHBondContact OD2-CE1 3.47Å; D188-H262 IonicContact OD2-NE2 3.97Å; D188-H262 PolarHBondContact OD2-NE2 3Å; R196-H262 PolarHBondContact NH1-CE1 3.04Å; R196-H262 PolarHBondContact NH2-CE1 2.67Å; R196-H262 PolarHBondContact NH2-ND1 2.68Å; Y218-H262 HydrophobicContact CD1-CB 3.86Å; Y218-H262 AromaticContact CD1-CD2 3.39Å; Y218-H262 WeakPolarHBondContact CD1-CD2 3.39Å; Y218-H262 AromaticContact CD1-CG 3.81Å; Y218-H262 AromaticContact CD2-CD2 3.33Å; Y218-H262 WeakPolarHBondContact CD2-CD2 3.33Å; Y218-H262 AromaticContact CD2-NE2 3.3Å; Y218-H262 VanDerWaalsContact CD2-NE2 3.3Å; Y218-H262 WeakPolarHBondContact CD2-NE2 3.48Å; Y218-H262 HydrophobicContact CE1-CB 3.71Å; Y218-H262 AromaticContact CE1-CD2 3.8Å; Y218-H262 AromaticContact CE1-CG 3.77Å; Y218-H262 AromaticContact CE2-CD2 3.79Å; Y218-H262 AromaticContact CE2-NE2 3.74Å; Y218-H262 HydrophobicContact CG-CB 4.48Å; Y218-H262 AromaticContact CG-CD2 3.13Å; Y218-H262 AromaticContact CG-CG 3.96Å; Y218-H262 AromaticContact CG-NE2 3.6Å; Y218-H262 AromaticContact CZ-CD2 4Å; Y218-H262 AromaticContact CZ-CG 3.93Å; D258-H262 WeakPolarHBondContact OD2-CB 3.39Å; D258-H262 PolarHBondContact OD2-N 2.98Å; T260-H262 VanDerWaalsContact C-N 3.26Å; T260-H262 PolarHBondContact O-N 2.91Å; H262-R271 VanDerWaalsContact CE1-CZ 3.44Å; H262-R271 PolarHBondContact CE1-NH1 2.8Å; H262-R271 VanDerWaalsContact CE1-NH1 3.33Å; H262-R271 PolarHBondContact CE1-NH2 3.12Å; H262-R271 PolarHBondContact NE2-NH2 3.12Å; H262-R271 PolarHBondContact O-NH2 2.86Å
263L95.8Very high93.8Very high2 Ų253.7 Ų53.71%0.0128%0.281CS..THydrogen-bonded Turntrans-101.619.7174.8-63-175.8000113.9T148 N186 D188 Q220 K261 I268T148-L263 HydrophobicContact CG2-CB 4.35Å; T148-L263 HydrophobicContact CG2-CD1 3.91Å; T148-L263 HydrophobicContact CG2-CG 4.25Å; N186-L263 HydrophobicContact CB-CD1 4.27Å; N186-L263 HydrophobicContact CB-CD2 4.5Å; D188-L263 HydrophobicContact CB-CD2 3.68Å; Q220-L263 HydrophobicContact CB-CB 4.19Å; Q220-L263 HydrophobicContact CB-CD1 3.53Å; Q220-L263 HydrophobicContact CB-CG 4.49Å; Q220-L263 PolarHBondContact NE2-O 3.14Å; K261-L263 VanDerWaalsContact C-N 3.28Å; K261-L263 PolarHBondContact O-N 3.4Å; L263-I268 HydrophobicContact CD2-CD1 4.43Å
264S95Very high93.7Very high2 Ų255.8 Ų55.81%0.01429%0.29CS..SBendtrans-69.2148.2167.1670000110.6K261 A266 S267 I268K261-S264 WeakPolarHBondContact O-CB 2.94Å; K261-S264 PolarHBondContact O-N 3.05Å; K261-S264 VanDerWaalsContact O-N 3.09Å; K261-S264 PolarHBondContact O-OG 3.41Å; S264-A266 PolarHBondContact O-N 3.14Å; S264-A266 VanDerWaalsContact O-N 3.16Å; S264-S267 PolarHBondContact O-N 2.78Å; S264-S267 VanDerWaalsContact O-N 3.13Å; S264-S267 WeakPolarHBondContact OG-CB 3.3Å; S264-S267 PolarHBondContact OG-N 2.95Å; S264-S267 PolarHBondContact OG-OG 2.86Å; S264-S267 VanDerWaalsContact OG-OG 3.11Å; S264-I268 WeakPolarHBondContact O-CG1 3.47Å; S264-I268 PolarHBondContact O-N 3.09Å
265D94.3Very high93.5Very high67 Ų6754.2 Ų54.236%0.35828%0.281SS..Hα-helixtrans-57.4-33.4178.9-67.2-21000111.4R185 K269R185-D265 IonicContact NH2-OD1 3.22Å; R185-D265 PolarHBondContact NH2-OD1 2.9Å; R185-D265 IonicContact NH2-OD2 3.59Å; R185-D265 PolarHBondContact NH2-OD2 3.18Å; D265-K269 WeakPolarHBondContact O-CB 3.21Å; D265-K269 WeakPolarHBondContact O-CG 3.47Å; D265-K269 PolarHBondContact O-N 2.93Å
266A93.6Very high93.4Very high65 Ų6558.7 Ų58.754%0.53730%0.301SS..Hα-helixtrans-67.2-48.5176.300000112.3S264 K269 K270S264-A266 PolarHBondContact O-N 3.14Å; S264-A266 VanDerWaalsContact O-N 3.16Å; A266-K269 PolarHBondContact O-N 3.31Å; A266-K270 WeakPolarHBondContact O-CB 3.49Å; A266-K270 PolarHBondContact O-N 3.2Å
267S93.5Very high93.2Very high36 Ų3664.9 Ų64.925%0.25233%0.325SS..Hα-helixtrans-64.9-39.5177.8-69.60000112.3K261 S264 K270 R271K261-S267 WeakPolarHBondContact O-CB 3.46Å; K261-S267 PolarHBondContact O-OG 3.27Å; S264-S267 PolarHBondContact O-N 2.78Å; S264-S267 VanDerWaalsContact O-N 3.13Å; S264-S267 WeakPolarHBondContact OG-CB 3.3Å; S264-S267 PolarHBondContact OG-N 2.95Å; S264-S267 PolarHBondContact OG-OG 2.86Å; S264-S267 VanDerWaalsContact OG-OG 3.11Å; S267-K270 PolarHBondContact O-N 3.35Å; S267-R271 WeakPolarHBondContact O-CG 3.41Å; S267-R271 PolarHBondContact O-N 3.33Å
268I94.1Very high92.9Very high30 Ų3064.9 Ų64.915%0.15433%0.327CS..Hα-helixtrans-62.5-50.3176.2-67.1168.2000110.1L263 S264 K270 R271 Q272L263-I268 HydrophobicContact CD2-CD1 4.43Å; S264-I268 WeakPolarHBondContact O-CG1 3.47Å; S264-I268 PolarHBondContact O-N 3.09Å; I268-K270 VanDerWaalsContact C-N 3.35Å; I268-K270 PolarHBondContact O-N 3.37Å; I268-R271 PolarHBondContact O-N 3.4Å; I268-Q272 HydrophobicContact CG2-CG 4.49Å; I268-Q272 WeakPolarHBondContact O-CG 3.37Å; I268-Q272 PolarHBondContact O-N 3.28Å
269K94.8Very high92.7Very high141 Ų14168 Ų6861%0.61334%0.341SS*.Hα-helixtrans-60.6-42.8178.3-76173-176.8176.70112.3D265 A266 Q272 L273D265-K269 WeakPolarHBondContact O-CB 3.21Å; D265-K269 WeakPolarHBondContact O-CG 3.47Å; D265-K269 PolarHBondContact O-N 2.93Å; A266-K269 PolarHBondContact O-N 3.31Å; K269-Q272 PolarHBondContact O-N 3.05Å; K269-L273 WeakPolarHBondContact O-CB 3.41Å; K269-L273 PolarHBondContact O-N 3.17Å
270K92.9Very high92.7Very high130 Ų13070.3 Ų70.357%0.56535%0.345SS*.Hα-helixtrans-58.5-49176.6-178-179.4172.5-175.90111.1A266 S267 I268 Q272 L273 E274A266-K270 WeakPolarHBondContact O-CB 3.49Å; A266-K270 PolarHBondContact O-N 3.2Å; S267-K270 PolarHBondContact O-N 3.35Å; I268-K270 VanDerWaalsContact C-N 3.35Å; I268-K270 PolarHBondContact O-N 3.37Å; K270-Q272 PolarHBondContact O-N 3.04Å; K270-L273 PolarHBondContact O-N 2.95Å; K270-E274 WeakPolarHBondContact CE-OE1 3.35Å; K270-E274 IonicContact NZ-OE1 3.63Å; K270-E274 WeakPolarHBondContact O-CG 3.15Å; K270-E274 PolarHBondContact O-N 3.26Å
271R92.5Very high92.6Very high25 Ų2569.7 Ų69.79%0.09434%0.338CS..Hα-helixtrans-61.7-41177.5-73.1-169.7-71.6154-9.5112.5D188 M199 H262 S267 I268 R275D188-R271 IonicContact OD1-CZ 3.75Å; D188-R271 IonicContact OD1-NH1 2.74Å; D188-R271 PolarHBondContact OD1-NH1 3.32Å; D188-R271 IonicContact OD1-NH2 2.69Å; D188-R271 IonicContact OD2-NH1 3.48Å; D188-R271 PolarHBondContact OD2-NH1 2.85Å; D188-R271 VanDerWaalsContact OD2-NH1 3.14Å; M199-R271 HydrophobicContact SD-CB 4.4Å; H262-R271 VanDerWaalsContact CE1-CZ 3.44Å; H262-R271 PolarHBondContact CE1-NH1 2.8Å; H262-R271 VanDerWaalsContact CE1-NH1 3.33Å; H262-R271 PolarHBondContact CE1-NH2 3.12Å; H262-R271 PolarHBondContact NE2-NH2 3.12Å; H262-R271 PolarHBondContact O-NH2 2.86Å; S267-R271 WeakPolarHBondContact O-CG 3.41Å; S267-R271 PolarHBondContact O-N 3.33Å; I268-R271 PolarHBondContact O-N 3.4Å; R271-R275 WeakPolarHBondContact O-CB 3.28Å; R271-R275 PolarHBondContact O-N 3.07Å
272Q91.8Very high92.4Very high102 Ų10272.2 Ų72.248%0.47735%0.35SS..Hα-helixtrans-64.5-42.3177.2-73.1174.6-9.300112.3I268 K269 K270 R275 Q276I268-Q272 HydrophobicContact CG2-CG 4.49Å; I268-Q272 WeakPolarHBondContact O-CG 3.37Å; I268-Q272 PolarHBondContact O-N 3.28Å; K269-Q272 PolarHBondContact O-N 3.05Å; K270-Q272 PolarHBondContact O-N 3.04Å; Q272-R275 WeakPolarHBondContact O-CB 3.21Å; Q272-R275 PolarHBondContact O-N 3.21Å; Q272-Q276 WeakPolarHBondContact O-CG 3.29Å; Q272-Q276 PolarHBondContact O-N 3.45Å
273L93.3Very high92.4Very high119 Ų11977.7 Ų77.762%0.62338%0.376SS*.Hα-helixtrans-65.8-44.6177.5-172.376.6000111.8K269 K270 R275 Q276 K277K269-L273 WeakPolarHBondContact O-CB 3.41Å; K269-L273 PolarHBondContact O-N 3.17Å; K270-L273 PolarHBondContact O-N 2.95Å; L273-R275 VanDerWaalsContact C-N 3.3Å; L273-R275 PolarHBondContact O-N 2.9Å; L273-Q276 PolarHBondContact O-N 2.93Å; L273-K277 PolarHBondContact O-N 2.7Å
274E89.9Confident92.2Very high65 Ų6583.3 Ų83.330%0.30440%0.402SS..Hα-helixtrans-61.4-40.2175.1-73.5174.3-174.100111.1M199 K270 K277 L278M199-E274 HydrophobicContact CE-CB 4.26Å; M199-E274 HydrophobicContact CG-CB 3.99Å; M199-E274 HydrophobicContact SD-CB 3.92Å; K270-E274 WeakPolarHBondContact CE-OE1 3.35Å; K270-E274 IonicContact NZ-OE1 3.63Å; K270-E274 WeakPolarHBondContact O-CG 3.15Å; K270-E274 PolarHBondContact O-N 3.26Å; E274-K277 PolarHBondContact O-N 2.86Å; E274-L278 WeakPolarHBondContact O-CG 3.46Å; E274-L278 PolarHBondContact O-N 3.35Å
275R90.8Very high92.1Very high83 Ų8390 Ų9031%0.31343%0.427SS..Hα-helixtrans-59.7-48.4174.8-165.3-178.1-69.51712.9111.8D193 Y195 M199 R271 Q272 L273 K277 L278 Q279D193-R275 IonicContact OD1-CZ 3.04Å; D193-R275 IonicContact OD1-NE 3.28Å; D193-R275 PolarHBondContact OD1-NE 3.24Å; D193-R275 IonicContact OD1-NH2 2.63Å; D193-R275 IonicContact OD2-CZ 2.63Å; D193-R275 IonicContact OD2-NE 3.07Å; D193-R275 PolarHBondContact OD2-NE 3.3Å; D193-R275 IonicContact OD2-NH2 3.48Å; D193-R275 PolarHBondContact OD2-NH2 2.75Å; Y195-R275 HydrophobicContact CD2-CG 3.78Å; Y195-R275 HydrophobicContact CE2-CG 4.35Å; Y195-R275 HydrophobicContact CG-CG 4.37Å; M199-R275 VanDerWaalsContact CE-CA 3.45Å; M199-R275 HydrophobicContact CE-CB 3.61Å; M199-R275 HydrophobicContact CE-CG 4.16Å; R271-R275 WeakPolarHBondContact O-CB 3.28Å; R271-R275 PolarHBondContact O-N 3.07Å; Q272-R275 WeakPolarHBondContact O-CB 3.21Å; Q272-R275 PolarHBondContact O-N 3.21Å; L273-R275 VanDerWaalsContact C-N 3.3Å; L273-R275 PolarHBondContact O-N 2.9Å; R275-K277 VanDerWaalsContact C-N 3.33Å; R275-K277 PolarHBondContact O-N 2.66Å; R275-L278 PolarHBondContact O-N 3.06Å; R275-Q279 WeakPolarHBondContact O-CG 3.41Å; R275-Q279 PolarHBondContact O-N 2.91Å
276Q91.9Very high92Very high104 Ų10492.9 Ų92.949%0.48644%0.438SS..Hα-helixtrans-59.8-44.8178.5-74.2172-2.500111.1Q272 L273 L278 Q279 E280Q272-Q276 WeakPolarHBondContact O-CG 3.29Å; Q272-Q276 PolarHBondContact O-N 3.45Å; L273-Q276 PolarHBondContact O-N 2.93Å; Q276-L278 VanDerWaalsContact C-N 3.34Å; Q276-L278 PolarHBondContact O-N 3.02Å; Q276-Q279 PolarHBondContact O-N 3Å; Q276-E280 WeakPolarHBondContact O-CB 3.42Å; Q276-E280 WeakPolarHBondContact O-CG 3.19Å; Q276-E280 PolarHBondContact O-N 2.93Å
277K93.1Very high92Very high157 Ų15793.1 Ų93.168%0.68343%0.428SS*.Hα-helixtrans-61.8-39.5178.3-171.5178.1-179.8-178.30112.9L273 E274 R275 L281L273-K277 PolarHBondContact O-N 2.7Å; E274-K277 PolarHBondContact O-N 2.86Å; R275-K277 VanDerWaalsContact C-N 3.33Å; R275-K277 PolarHBondContact O-N 2.66Å; K277-L281 WeakPolarHBondContact O-CB 3.5Å; K277-L281 PolarHBondContact O-N 2.98Å; K277-L281 VanDerWaalsContact O-N 3.07Å
278L88.6Confident91.9Very high33 Ų3396.8 Ų96.817%0.17344%0.441CS..Hα-helixtrans-68.9-42.7176.9-71.1172.8000111.7Y195 E198 M199 E274 R275 Q276 E280 L281 E282Y195-L278 HydrophobicContact CD1-CB 3.87Å; Y195-L278 HydrophobicContact CD1-CD1 4.05Å; Y195-L278 HydrophobicContact CE1-CB 4.21Å; Y195-L278 HydrophobicContact CG-CD1 4.39Å; E198-L278 HydrophobicContact CB-CD1 4.18Å; E198-L278 HydrophobicContact CG-CD1 4.43Å; E198-L278 HydrophobicContact CG-CD2 4.42Å; E198-L278 WeakPolarHBondContact OE2-CD2 3.33Å; M199-L278 HydrophobicContact CE-CD1 4.25Å; M199-L278 HydrophobicContact CG-CD1 4.24Å; E274-L278 WeakPolarHBondContact O-CG 3.46Å; E274-L278 PolarHBondContact O-N 3.35Å; R275-L278 PolarHBondContact O-N 3.06Å; Q276-L278 VanDerWaalsContact C-N 3.34Å; Q276-L278 PolarHBondContact O-N 3.02Å; L278-E280 PolarHBondContact O-N 3.5Å; L278-L281 PolarHBondContact O-N 3.27Å; L278-E282 WeakPolarHBondContact O-CB 3.37Å; L278-E282 PolarHBondContact O-N 3.24Å
279Q89.9Confident91.8Very high72 Ų72101.7 Ų101.734%0.33646%0.462SS..Hα-helixtrans-60.7-43.6175.2-73.5175.7-14.500112Y195 R275 Q276 E282 Q283Y195-Q279 HydrophobicContact CE1-CG 4.45Å; Y195-Q279 HydrophobicContact CE2-CG 3.83Å; R275-Q279 WeakPolarHBondContact O-CG 3.41Å; R275-Q279 PolarHBondContact O-N 2.91Å; Q276-Q279 PolarHBondContact O-N 3Å; Q279-E282 PolarHBondContact O-N 3.48Å; Q279-Q283 WeakPolarHBondContact O-CB 3.13Å; Q279-Q283 VanDerWaalsContact O-CG 3.3Å; Q279-Q283 WeakPolarHBondContact O-CG 3.42Å; Q279-Q283 PolarHBondContact O-N 3.22Å
280E92.3Very high91.8Very high111 Ų111101.5 Ų101.552%0.51946%0.457SS..Hα-helixtrans-62.8-42.2175.7-74.6174.2-172.800111.8Q276 L278 Q283 Q284Q276-E280 WeakPolarHBondContact O-CB 3.42Å; Q276-E280 WeakPolarHBondContact O-CG 3.19Å; Q276-E280 PolarHBondContact O-N 2.93Å; L278-E280 PolarHBondContact O-N 3.5Å; E280-Q283 PolarHBondContact O-N 3.46Å; E280-Q284 WeakPolarHBondContact O-CB 3.03Å; E280-Q284 VanDerWaalsContact O-CG 3.25Å; E280-Q284 WeakPolarHBondContact O-CG 3.34Å; E280-Q284 PolarHBondContact O-N 3.35Å
281L90.3Very high91.8Very high69 Ų69102.6 Ų102.636%0.36146%0.458SS..Hα-helixtrans-65.7-38.9177.8-173.866.9000112K277 L278 Q284 R285K277-L281 WeakPolarHBondContact O-CB 3.5Å; K277-L281 PolarHBondContact O-N 2.98Å; K277-L281 VanDerWaalsContact O-N 3.07Å; L278-L281 PolarHBondContact O-N 3.27Å; L281-Q284 PolarHBondContact O-N 2.78Å; L281-R285 WeakPolarHBondContact O-CB 3.14Å; L281-R285 VanDerWaalsContact O-CG 3.26Å; L281-R285 WeakPolarHBondContact O-CG 3.26Å; L281-R285 PolarHBondContact O-N 3.11Å
282E89.3Confident91.8Very high92 Ų92106.5 Ų106.543%0.4348%0.477SS..Hα-helixtrans-63.7-47.3175.2-171.9168.9-154.900111Y195 L278 Q279 Q284 R285 E286Y195-E282 PolarHBondContact OH-OE2 3.33Å; L278-E282 WeakPolarHBondContact O-CB 3.37Å; L278-E282 PolarHBondContact O-N 3.24Å; Q279-E282 PolarHBondContact O-N 3.48Å; E282-Q284 PolarHBondContact O-N 2.72Å; E282-R285 WeakPolarHBondContact O-CB 3.36Å; E282-R285 PolarHBondContact O-N 3.2Å; E282-E286 WeakPolarHBondContact O-CG 3.17Å; E282-E286 PolarHBondContact O-N 3.09Å
283Q92.4Very high91.8Very high127 Ų127108.7 Ų108.759%0.59349%0.485SS*.Hα-helixtrans-61.1-41.9175.6-72.5176.19.200112.4Q279 E280 R285 E286 E287Q279-Q283 WeakPolarHBondContact O-CB 3.13Å; Q279-Q283 VanDerWaalsContact O-CG 3.3Å; Q279-Q283 WeakPolarHBondContact O-CG 3.42Å; Q279-Q283 PolarHBondContact O-N 3.22Å; E280-Q283 PolarHBondContact O-N 3.46Å; Q283-R285 VanDerWaalsContact C-N 3.34Å; Q283-R285 PolarHBondContact O-N 2.89Å; Q283-E286 PolarHBondContact O-N 2.91Å; Q283-E287 WeakPolarHBondContact O-CB 3.43Å; Q283-E287 PolarHBondContact O-N 3.26Å
284Q93.1Very high91.8Very high119 Ų119106.8 Ų106.856%0.55647%0.473SS*.Hα-helixtrans-62.4-41.1175.6-75.8175.216.600111.8E280 L281 E282 E287 Q288E280-Q284 WeakPolarHBondContact O-CB 3.03Å; E280-Q284 VanDerWaalsContact O-CG 3.25Å; E280-Q284 WeakPolarHBondContact O-CG 3.34Å; E280-Q284 PolarHBondContact O-N 3.35Å; L281-Q284 PolarHBondContact O-N 2.78Å; E282-Q284 PolarHBondContact O-N 2.72Å; Q284-E287 PolarHBondContact O-N 3.36Å; Q284-Q288 VanDerWaalsContact O-CB 3.29Å; Q284-Q288 WeakPolarHBondContact O-CB 3.48Å; Q284-Q288 PolarHBondContact O-N 2.76Å
285R92.4Very high91.9Very high143 Ų143105.8 Ų105.854%0.5448%0.476SS..Hα-helixtrans-66.1-40.4176.2-74.9171.7175.91801.6111.9L281 E282 Q283 K289L281-R285 WeakPolarHBondContact O-CB 3.14Å; L281-R285 VanDerWaalsContact O-CG 3.26Å; L281-R285 WeakPolarHBondContact O-CG 3.26Å; L281-R285 PolarHBondContact O-N 3.11Å; E282-R285 WeakPolarHBondContact O-CB 3.36Å; E282-R285 PolarHBondContact O-N 3.2Å; Q283-R285 VanDerWaalsContact C-N 3.34Å; Q283-R285 PolarHBondContact O-N 2.89Å; R285-K289 WeakPolarHBondContact O-CB 3.15Å; R285-K289 VanDerWaalsContact O-CG 3.3Å; R285-K289 WeakPolarHBondContact O-CG 3.46Å; R285-K289 PolarHBondContact O-N 3.41Å
286E92.4Very high92Very high127 Ų127106.1 Ų106.159%0.59348%0.481SS*.Hα-helixtrans-65.9-43175.1-73.3-167.9157.100112E282 Q283 K289 R290E282-E286 WeakPolarHBondContact O-CG 3.17Å; E282-E286 PolarHBondContact O-N 3.09Å; Q283-E286 PolarHBondContact O-N 2.91Å; E286-K289 PolarHBondContact O-N 3.49Å; E286-R290 WeakPolarHBondContact O-CB 3.49Å; E286-R290 PolarHBondContact O-N 2.78Å
287E93.2Very high92Very high71 Ų71108 Ų10833%0.33249%0.49SS..Hα-helixtrans-65.3-42.7176.8-175.7173.7-16900111.5Q283 Q284 K289 R290 R291Q283-E287 WeakPolarHBondContact O-CB 3.43Å; Q283-E287 PolarHBondContact O-N 3.26Å; Q284-E287 PolarHBondContact O-N 3.36Å; E287-K289 PolarHBondContact O-N 2.93Å; E287-R290 WeakPolarHBondContact O-CB 3.37Å; E287-R290 PolarHBondContact O-N 3.35Å; E287-R290 VanDerWaalsContact O-N 3.16Å; E287-R290 IonicContact OE1-NH2 2.65Å; E287-R291 HydrophobicContact CG-CG 4.38Å; E287-R291 WeakPolarHBondContact O-CG 3.08Å; E287-R291 PolarHBondContact O-N 2.99Å; E287-R291 IonicContact OE1-CZ 2.78Å; E287-R291 VanDerWaalsContact OE1-CZ 3.3Å; E287-R291 IonicContact OE1-NE 2.75Å; E287-R291 PolarHBondContact OE1-NE 2.88Å; E287-R291 VanDerWaalsContact OE1-NE 3.15Å; E287-R291 IonicContact OE1-NH2 3.19Å; E287-R291 PolarHBondContact OE1-NH2 3.46Å; E287-R291 IonicContact OE2-NH2 2.65Å
288Q91.3Very high92Very high112 Ų112108.3 Ų108.352%0.52349%0.487SS..Hα-helixtrans-59.6-47.2175-176.4178.1-1200110.8Q284 R290 R291 E292Q284-Q288 VanDerWaalsContact O-CB 3.29Å; Q284-Q288 WeakPolarHBondContact O-CB 3.48Å; Q284-Q288 PolarHBondContact O-N 2.76Å; Q288-R290 VanDerWaalsContact C-N 3.28Å; Q288-R290 PolarHBondContact O-N 2.84Å; Q288-R291 PolarHBondContact O-N 2.76Å; Q288-E292 HydrophobicContact CG-CG 4.45Å; Q288-E292 WeakPolarHBondContact CG-OE1 3.34Å; Q288-E292 PolarHBondContact NE2-OE1 2.98Å; Q288-E292 WeakPolarHBondContact O-CB 3.27Å; Q288-E292 WeakPolarHBondContact O-CG 3.23Å; Q288-E292 PolarHBondContact O-N 3.1Å
289K92.9Very high92.1Very high133 Ų133113.2 Ų113.258%0.57851%0.509SS*.Hα-helixtrans-60.1-37.2174.9-76.4174.8-178.81760112.4R285 E286 E287 K293R285-K289 WeakPolarHBondContact O-CB 3.15Å; R285-K289 VanDerWaalsContact O-CG 3.3Å; R285-K289 WeakPolarHBondContact O-CG 3.46Å; R285-K289 PolarHBondContact O-N 3.41Å; E286-K289 PolarHBondContact O-N 3.49Å; E287-K289 PolarHBondContact O-N 2.93Å; K289-K293 VanDerWaalsContact O-CG 3.29Å; K289-K293 WeakPolarHBondContact O-CG 3.38Å; K289-K293 PolarHBondContact O-N 3.28Å; K289-K293 VanDerWaalsContact O-N 3.09Å
290R93Very high92.1Very high138 Ų138116.4 Ų116.452%0.52152%0.517SS..Hα-helixtrans-66.4-46.1175.7-172178.467.7-152.4-3.4111.1E286 E287 Q288 K293 E294E286-R290 WeakPolarHBondContact O-CB 3.49Å; E286-R290 PolarHBondContact O-N 2.78Å; E287-R290 WeakPolarHBondContact O-CB 3.37Å; E287-R290 PolarHBondContact O-N 3.35Å; E287-R290 VanDerWaalsContact O-N 3.16Å; E287-R290 IonicContact OE1-NH2 2.65Å; Q288-R290 VanDerWaalsContact C-N 3.28Å; Q288-R290 PolarHBondContact O-N 2.84Å; R290-K293 PolarHBondContact O-N 3.1Å; R290-E294 WeakPolarHBondContact O-CG 3.37Å; R290-E294 PolarHBondContact O-N 3.38Å
291R93Very high92.1Very high153 Ų153113.1 Ų113.158%0.57751%0.51SS*.Hα-helixtrans-62.9-41.2177.3-71.2177.3-176.6-165.53.8112.1E287 Q288 E294 A295E287-R291 HydrophobicContact CG-CG 4.38Å; E287-R291 WeakPolarHBondContact O-CG 3.08Å; E287-R291 PolarHBondContact O-N 2.99Å; E287-R291 IonicContact OE1-CZ 2.78Å; E287-R291 VanDerWaalsContact OE1-CZ 3.3Å; E287-R291 IonicContact OE1-NE 2.75Å; E287-R291 PolarHBondContact OE1-NE 2.88Å; E287-R291 VanDerWaalsContact OE1-NE 3.15Å; E287-R291 IonicContact OE1-NH2 3.19Å; E287-R291 PolarHBondContact OE1-NH2 3.46Å; E287-R291 IonicContact OE2-NH2 2.65Å; Q288-R291 PolarHBondContact O-N 2.76Å; R291-E294 PolarHBondContact O-N 3.05Å; R291-A295 WeakPolarHBondContact O-CB 3.19Å; R291-A295 PolarHBondContact O-N 2.77Å
292E92.3Very high92.2Very high107 Ų107115.5 Ų115.550%0.552%0.519SS..Hα-helixtrans-61.8-45.1175.3-75171.6-173.800111.4Q288 A295 E296Q288-E292 HydrophobicContact CG-CG 4.45Å; Q288-E292 WeakPolarHBondContact CG-OE1 3.34Å; Q288-E292 PolarHBondContact NE2-OE1 2.98Å; Q288-E292 WeakPolarHBondContact O-CB 3.27Å; Q288-E292 WeakPolarHBondContact O-CG 3.23Å; Q288-E292 PolarHBondContact O-N 3.1Å; E292-A295 PolarHBondContact O-N 2.86Å; E292-E296 WeakPolarHBondContact O-CB 3.49Å; E292-E296 PolarHBondContact O-N 3.2Å
293K92.7Very high92.2Very high147 Ų147115.7 Ų115.764%0.63952%0.52SS*.Hα-helixtrans-62.3-44.1175-74.5175.4-179.9-1780112.7K289 R290 E296 E297K289-K293 VanDerWaalsContact O-CG 3.29Å; K289-K293 WeakPolarHBondContact O-CG 3.38Å; K289-K293 PolarHBondContact O-N 3.28Å; K289-K293 VanDerWaalsContact O-N 3.09Å; R290-K293 PolarHBondContact O-N 3.1Å; K293-E296 PolarHBondContact O-N 3.08Å; K293-E297 WeakPolarHBondContact O-CB 3.35Å; K293-E297 PolarHBondContact O-N 3.36Å
294E92.8Very high92.1Very high79 Ų79118.5 Ų118.537%0.36953%0.525SS..Hα-helixtrans-64.5-39.8176.9-75.5179-154.100112R290 R291 E297 R298R290-E294 WeakPolarHBondContact O-CG 3.37Å; R290-E294 PolarHBondContact O-N 3.38Å; R291-E294 PolarHBondContact O-N 3.05Å; E294-E297 PolarHBondContact O-N 2.78Å; E294-R298 WeakPolarHBondContact O-CB 3.46Å; E294-R298 VanDerWaalsContact O-CG 3.3Å; E294-R298 WeakPolarHBondContact O-CG 3.17Å; E294-R298 PolarHBondContact O-N 3.14Å; E294-R298 IonicContact OE2-NH2 3.14Å
295A92.6Very high92.1Very high44 Ų44119.4 Ų119.436%0.36453%0.527SS..Hα-helixtrans-66.2-42.3176.500000111.6R291 E292 E297 R298 Q299R291-A295 WeakPolarHBondContact O-CB 3.19Å; R291-A295 PolarHBondContact O-N 2.77Å; E292-A295 PolarHBondContact O-N 2.86Å; A295-E297 VanDerWaalsContact C-N 3.34Å; A295-R298 PolarHBondContact O-N 2.77Å; A295-Q299 WeakPolarHBondContact O-CG 3.4Å; A295-Q299 PolarHBondContact O-N 2.86Å
296E92.8Very high91.9Very high91 Ų91118.8 Ų118.843%0.42553%0.53SS..Hα-helixtrans-62.3-41.7174.7-170.7-176.8179.800111.5E292 K293 Q299 R300E292-E296 WeakPolarHBondContact O-CB 3.49Å; E292-E296 PolarHBondContact O-N 3.2Å; K293-E296 PolarHBondContact O-N 3.08Å; E296-Q299 PolarHBondContact O-N 2.75Å; E296-R300 WeakPolarHBondContact O-CB 3.39Å; E296-R300 VanDerWaalsContact O-CG 3.3Å; E296-R300 WeakPolarHBondContact O-CG 3.29Å; E296-R300 PolarHBondContact O-N 3.33Å; E296-R300 IonicContact OE1-CZ 3.91Å; E296-R300 VanDerWaalsContact OE1-CZ 3.26Å; E296-R300 IonicContact OE1-NE 2.69Å; E296-R300 PolarHBondContact OE1-NE 3.24Å; E296-R300 IonicContact OE1-NH2 2.87Å; E296-R300 PolarHBondContact OE1-NH2 2.86Å
297E91.9Very high91.7Very high143 Ų143118.2 Ų118.267%0.66853%0.526SS*.Hα-helixtrans-65.3-41.8176-171.3174.1-173.100112K293 E294 A295 R300 A301K293-E297 WeakPolarHBondContact O-CB 3.35Å; K293-E297 PolarHBondContact O-N 3.36Å; E294-E297 PolarHBondContact O-N 2.78Å; A295-E297 VanDerWaalsContact C-N 3.34Å; E297-R300 PolarHBondContact O-N 2.85Å; E297-A301 WeakPolarHBondContact O-CB 3.17Å; E297-A301 PolarHBondContact O-N 3.41Å
298R92.1Very high91.5Very high164 Ų164120.7 Ų120.762%0.61954%0.537SS*.Hα-helixtrans-62.3-45.4174.6-74.1178.7-163.4-176.88.6111.8E294 A295 R300 A301 E302E294-R298 WeakPolarHBondContact O-CB 3.46Å; E294-R298 VanDerWaalsContact O-CG 3.3Å; E294-R298 WeakPolarHBondContact O-CG 3.17Å; E294-R298 PolarHBondContact O-N 3.14Å; E294-R298 IonicContact OE2-NH2 3.14Å; A295-R298 PolarHBondContact O-N 2.77Å; R298-R300 VanDerWaalsContact C-N 3.35Å; R298-R300 PolarHBondContact O-N 2.78Å; R298-A301 PolarHBondContact O-N 2.8Å; R298-E302 PolarHBondContact O-N 2.92Å
299Q90.6Very high91.4Very high136 Ų136121 Ų12164%0.63654%0.542SS*.Hα-helixtrans-60.3-44.5176.2-75.1-179.23.600111.4A295 E296 A301 E302 E303A295-Q299 WeakPolarHBondContact O-CG 3.4Å; A295-Q299 PolarHBondContact O-N 2.86Å; E296-Q299 PolarHBondContact O-N 2.75Å; Q299-A301 VanDerWaalsContact C-N 3.32Å; Q299-A301 PolarHBondContact O-N 2.9Å; Q299-E302 PolarHBondContact O-N 3.12Å; Q299-E303 WeakPolarHBondContact O-CB 3.46Å; Q299-E303 PolarHBondContact O-N 2.71Å
300R91.7Very high91.2Very high138 Ų138119 Ų11952%0.52154%0.535SS..Hα-helixtrans-62.9-37.5175.3-72.6174.2-178.2-166.51.4112.3E296 E297 R298 R304E296-R300 WeakPolarHBondContact O-CB 3.39Å; E296-R300 VanDerWaalsContact O-CG 3.3Å; E296-R300 WeakPolarHBondContact O-CG 3.29Å; E296-R300 PolarHBondContact O-N 3.33Å; E296-R300 IonicContact OE1-CZ 3.91Å; E296-R300 VanDerWaalsContact OE1-CZ 3.26Å; E296-R300 IonicContact OE1-NE 2.69Å; E296-R300 PolarHBondContact OE1-NE 3.24Å; E296-R300 IonicContact OE1-NH2 2.87Å; E296-R300 PolarHBondContact OE1-NH2 2.86Å; E297-R300 PolarHBondContact O-N 2.85Å; R298-R300 VanDerWaalsContact C-N 3.35Å; R298-R300 PolarHBondContact O-N 2.78Å; R300-R304 VanDerWaalsContact O-CG 3.25Å; R300-R304 WeakPolarHBondContact O-CG 3.27Å; R300-R304 PolarHBondContact O-N 2.77Å
301A92.1Very high90.9Very high43 Ų43118.7 Ų118.736%0.35554%0.539SS..Hα-helixtrans-69.2-40.7176.800000112.1E297 R298 Q299 R304 K305E297-A301 WeakPolarHBondContact O-CB 3.17Å; E297-A301 PolarHBondContact O-N 3.41Å; R298-A301 PolarHBondContact O-N 2.8Å; Q299-A301 VanDerWaalsContact C-N 3.32Å; Q299-A301 PolarHBondContact O-N 2.9Å; A301-R304 PolarHBondContact O-N 3.35Å; A301-K305 WeakPolarHBondContact O-CG 3.07Å; A301-K305 PolarHBondContact O-N 2.74Å
302E90.9Very high90.7Very high119 Ų119115.6 Ų115.656%0.55653%0.533SS*.Hα-helixtrans-64.5-43173.7-76.5-179.9-178.900111.8R298 Q299 R304 K305 Q306R298-E302 PolarHBondContact O-N 2.92Å; Q299-E302 PolarHBondContact O-N 3.12Å; E302-R304 VanDerWaalsContact C-N 3.32Å; E302-R304 PolarHBondContact O-N 3.34Å; E302-K305 PolarHBondContact O-N 2.88Å; E302-Q306 WeakPolarHBondContact O-CG 3.38Å; E302-Q306 PolarHBondContact O-N 2.8Å
303E90.2Very high90.4Very high96 Ų96115.4 Ų115.445%0.44953%0.533SS..Hα-helixtrans-61.8-40.4175.9-164.3-166.1154.500111.5Q299 Q306 K307Q299-E303 WeakPolarHBondContact O-CB 3.46Å; Q299-E303 PolarHBondContact O-N 2.71Å; E303-Q306 PolarHBondContact O-N 3.5Å; E303-K307 WeakPolarHBondContact O-CB 3.36Å; E303-K307 WeakPolarHBondContact O-CG 3.25Å; E303-K307 PolarHBondContact O-N 2.62Å; E303-K307 WeakPolarHBondContact OE1-CE 3.16Å; E303-K307 IonicContact OE1-NZ 2.7Å; E303-K307 PolarHBondContact OE1-NZ 2.76Å
304R90.8Very high90Very high185 Ų185114.6 Ų114.670%0.69853%0.526SS*.Hα-helixtrans-61.8-46173.3-75.2173-175.3-172.62.2111.8R300 A301 E302 Q306 K307 E308R300-R304 VanDerWaalsContact O-CG 3.25Å; R300-R304 WeakPolarHBondContact O-CG 3.27Å; R300-R304 PolarHBondContact O-N 2.77Å; A301-R304 PolarHBondContact O-N 3.35Å; E302-R304 VanDerWaalsContact C-N 3.32Å; E302-R304 PolarHBondContact O-N 3.34Å; R304-Q306 PolarHBondContact O-N 2.65Å; R304-K307 PolarHBondContact O-N 2.83Å; R304-E308 WeakPolarHBondContact O-CB 3.24Å; R304-E308 PolarHBondContact O-N 3.43Å
305K91.6Very high89.7Confident138 Ų138116.5 Ų116.560%0.653%0.534SS*.Hα-helixtrans-63-40.7177.2-74.4178.4-179.9-178.80112.2A301 E302 E308 L309A301-K305 WeakPolarHBondContact O-CG 3.07Å; A301-K305 PolarHBondContact O-N 2.74Å; E302-K305 PolarHBondContact O-N 2.88Å; K305-E308 PolarHBondContact O-N 3.23Å; K305-L309 WeakPolarHBondContact O-CB 3.25Å; K305-L309 WeakPolarHBondContact O-CG 3.36Å; K305-L309 PolarHBondContact O-N 2.94Å
306Q88.4Confident89.3Confident131 Ų131123 Ų12361%0.61255%0.55SS*.Hα-helixtrans-64.2-43.7176.4-76-177.72.100111.7E302 E303 R304 E308 L309 E310E302-Q306 WeakPolarHBondContact O-CG 3.38Å; E302-Q306 PolarHBondContact O-N 2.8Å; E303-Q306 PolarHBondContact O-N 3.5Å; R304-Q306 PolarHBondContact O-N 2.65Å; Q306-E308 VanDerWaalsContact C-N 3.35Å; Q306-E308 PolarHBondContact O-N 3.16Å; Q306-L309 PolarHBondContact O-N 3.11Å; Q306-E310 WeakPolarHBondContact O-CB 3.13Å; Q306-E310 PolarHBondContact O-N 3.12Å
307K89.6Confident88.9Confident114 Ų114123.6 Ų123.650%0.49655%0.551SS.*Hα-helixtrans-59.6-44.3174.5-77.7169.9171.2166.20111.9E303 R304 E310 E311E303-K307 WeakPolarHBondContact O-CB 3.36Å; E303-K307 WeakPolarHBondContact O-CG 3.25Å; E303-K307 PolarHBondContact O-N 2.62Å; E303-K307 WeakPolarHBondContact OE1-CE 3.16Å; E303-K307 IonicContact OE1-NZ 2.7Å; E303-K307 PolarHBondContact OE1-NZ 2.76Å; R304-K307 PolarHBondContact O-N 2.83Å; K307-E310 PolarHBondContact O-N 3.48Å; K307-E311 WeakPolarHBondContact O-CG 3.31Å; K307-E311 PolarHBondContact O-N 2.74Å
308E88.5Confident88.5Confident123 Ų123125.3 Ų125.358%0.57555%0.551SS**Hα-helixtrans-63.8-42.6177.6-170.1176-17200112.1R304 K305 Q306 E311 L312R304-E308 WeakPolarHBondContact O-CB 3.24Å; R304-E308 PolarHBondContact O-N 3.43Å; K305-E308 PolarHBondContact O-N 3.23Å; Q306-E308 VanDerWaalsContact C-N 3.35Å; Q306-E308 PolarHBondContact O-N 3.16Å; E308-E311 PolarHBondContact O-N 3.38Å; E308-L312 HydrophobicContact CG-CD1 4.49Å; E308-L312 WeakPolarHBondContact O-CB 3.46Å; E308-L312 PolarHBondContact O-N 2.93Å
309L89.5Confident87.9Confident118 Ų118123.1 Ų123.162%0.61855%0.548SS*.Hα-helixtrans-63.6-40.3174.1-73.8170.3000112.2K305 Q306 L312 E313K305-L309 WeakPolarHBondContact O-CB 3.25Å; K305-L309 WeakPolarHBondContact O-CG 3.36Å; K305-L309 PolarHBondContact O-N 2.94Å; Q306-L309 PolarHBondContact O-N 3.11Å; L309-L312 PolarHBondContact O-N 2.91Å; L309-E313 PolarHBondContact O-N 2.88Å
310E88.4Confident87.5Confident92 Ų92123 Ų12343%0.4355%0.547SS..Hα-helixtrans-66.9-39.1177.1-162.1-170.3167.400111.6Q306 K307 E313 R314Q306-E310 WeakPolarHBondContact O-CB 3.13Å; Q306-E310 PolarHBondContact O-N 3.12Å; K307-E310 PolarHBondContact O-N 3.48Å; E310-E313 PolarHBondContact O-N 2.93Å; E310-R314 WeakPolarHBondContact O-CB 3.45Å; E310-R314 WeakPolarHBondContact O-CG 3.17Å; E310-R314 PolarHBondContact O-N 2.85Å; E310-R314 IonicContact OE1-CZ 3.85Å; E310-R314 VanDerWaalsContact OE1-CZ 3.23Å; E310-R314 IonicContact OE1-NE 3.93Å; E310-R314 PolarHBondContact OE1-NE 2.77Å; E310-R314 IonicContact OE1-NH2 3.23Å; E310-R314 PolarHBondContact OE1-NH2 2.68Å; E310-R314 IonicContact OE2-NH2 3.8Å
311E86.5Confident87Confident131 Ų131123.2 Ų123.261%0.61255%0.552SS**Hα-helixtrans-62.8-47.1173.4-77.3-172.1161.600111.8K307 E308 E313 R314 E315K307-E311 WeakPolarHBondContact O-CG 3.31Å; K307-E311 PolarHBondContact O-N 2.74Å; E308-E311 PolarHBondContact O-N 3.38Å; E311-E313 VanDerWaalsContact C-N 3.32Å; E311-E313 PolarHBondContact O-N 3.02Å; E311-R314 WeakPolarHBondContact O-CB 3.31Å; E311-R314 PolarHBondContact O-N 2.85Å; E311-R314 VanDerWaalsContact O-N 3.17Å; E311-E315 PolarHBondContact O-N 3.12Å
312L88.8Confident86.4Confident88 Ų88126 Ų12646%0.46156%0.56SS.*Hα-helixtrans-57.4-43173.9-88158.4000112.1E308 L309 E315 R316E308-L312 HydrophobicContact CG-CD1 4.49Å; E308-L312 WeakPolarHBondContact O-CB 3.46Å; E308-L312 PolarHBondContact O-N 2.93Å; L309-L312 PolarHBondContact O-N 2.91Å; L312-E315 PolarHBondContact O-N 2.81Å; L312-R316 WeakPolarHBondContact O-CG 3.3Å; L312-R316 PolarHBondContact O-N 3.49Å
313E85.1Confident85.9Confident103 Ų103128.6 Ų128.648%0.48157%0.565SS.*Hα-helixtrans-66.9-39.3177.7-159.1-164.8154.800111.8L309 E310 E311 R316 K317L309-E313 PolarHBondContact O-N 2.88Å; E310-E313 PolarHBondContact O-N 2.93Å; E311-E313 VanDerWaalsContact C-N 3.32Å; E311-E313 PolarHBondContact O-N 3.02Å; E313-R316 PolarHBondContact O-N 3.3Å; E313-K317 WeakPolarHBondContact O-CG 3.34Å; E313-K317 PolarHBondContact O-N 3Å; E313-K317 WeakPolarHBondContact OE1-CE 3.48Å; E313-K317 IonicContact OE1-NZ 3.85Å; E313-K317 PolarHBondContact OE1-NZ 2.99Å
314R86.2Confident85.5Confident131 Ų131130.1 Ų130.149%0.49457%0.57SS.*Hα-helixtrans-63.9-39.8174.6-73.9169.1179.3-164.21.6111.4E310 E311 K317 R318E310-R314 WeakPolarHBondContact O-CB 3.45Å; E310-R314 WeakPolarHBondContact O-CG 3.17Å; E310-R314 PolarHBondContact O-N 2.85Å; E310-R314 IonicContact OE1-CZ 3.85Å; E310-R314 VanDerWaalsContact OE1-CZ 3.23Å; E310-R314 IonicContact OE1-NE 3.93Å; E310-R314 PolarHBondContact OE1-NE 2.77Å; E310-R314 IonicContact OE1-NH2 3.23Å; E310-R314 PolarHBondContact OE1-NH2 2.68Å; E310-R314 IonicContact OE2-NH2 3.8Å; E311-R314 WeakPolarHBondContact O-CB 3.31Å; E311-R314 PolarHBondContact O-N 2.85Å; E311-R314 VanDerWaalsContact O-N 3.17Å; R314-K317 PolarHBondContact O-N 2.8Å; R314-R318 VanDerWaalsContact O-CG 3.28Å; R314-R318 WeakPolarHBondContact O-CG 3.05Å; R314-R318 PolarHBondContact O-N 2.98Å
315E85Confident84.8Confident118 Ų118129.7 Ų129.755%0.55157%0.569SS**Hα-helixtrans-63.6-48.3174.2-76.1-166.7154.200111.9E311 L312 K317 R318 E319E311-E315 PolarHBondContact O-N 3.12Å; L312-E315 PolarHBondContact O-N 2.81Å; E315-K317 VanDerWaalsContact C-N 3.3Å; E315-K317 PolarHBondContact O-N 2.7Å; E315-R318 WeakPolarHBondContact O-CA 3.45Å; E315-R318 WeakPolarHBondContact O-CB 3.22Å; E315-R318 PolarHBondContact O-N 2.77Å; E315-E319 PolarHBondContact O-N 2.96Å
316R85.8Confident84.1Confident182 Ų182127.5 Ų127.569%0.68756%0.56SS**Hα-helixtrans-57.5-42.3175.9-70.2-178.974.4-166.63112.3L312 E313 R318 E319 E320L312-R316 WeakPolarHBondContact O-CG 3.3Å; L312-R316 PolarHBondContact O-N 3.49Å; E313-R316 PolarHBondContact O-N 3.3Å; R316-R318 VanDerWaalsContact C-N 3.31Å; R316-R318 PolarHBondContact O-N 3.42Å; R316-E319 PolarHBondContact O-N 3.44Å; R316-E320 WeakPolarHBondContact O-CB 3.38Å; R316-E320 PolarHBondContact O-N 3.11Å
317K83.6Confident83.4Confident103 Ų103127.3 Ų127.345%0.44856%0.56SS.*Hα-helixtrans-63.9-34.3174.9-76174-175.9163.80112.5E313 R314 E315 K321E313-K317 WeakPolarHBondContact O-CG 3.34Å; E313-K317 PolarHBondContact O-N 3Å; E313-K317 WeakPolarHBondContact OE1-CE 3.48Å; E313-K317 IonicContact OE1-NZ 3.85Å; E313-K317 PolarHBondContact OE1-NZ 2.99Å; R314-K317 PolarHBondContact O-N 2.8Å; E315-K317 VanDerWaalsContact C-N 3.3Å; E315-K317 PolarHBondContact O-N 2.7Å; K317-K321 WeakPolarHBondContact O-CB 3.34Å; K317-K321 VanDerWaalsContact O-CG 3.23Å; K317-K321 WeakPolarHBondContact O-CG 3.37Å; K317-K321 PolarHBondContact O-N 3Å; K317-K321 VanDerWaalsContact O-N 3.17Å
318R82.4Confident82.8Confident179 Ų179127.5 Ų127.568%0.67556%0.56SS**Hα-helixtrans-70.1-45.6175.5-73.4170.2-178.3-175.72110.9R314 E315 R316 K321 L322R314-R318 VanDerWaalsContact O-CG 3.28Å; R314-R318 WeakPolarHBondContact O-CG 3.05Å; R314-R318 PolarHBondContact O-N 2.98Å; E315-R318 WeakPolarHBondContact O-CA 3.45Å; E315-R318 WeakPolarHBondContact O-CB 3.22Å; E315-R318 PolarHBondContact O-N 2.77Å; R316-R318 VanDerWaalsContact C-N 3.31Å; R316-R318 PolarHBondContact O-N 3.42Å; R318-K321 PolarHBondContact O-N 3Å; R318-L322 PolarHBondContact O-N 3.3Å
319E81.1Confident82.1Confident118 Ų118127.7 Ų127.755%0.55156%0.561SS**Hα-helixtrans-60.7-45.5176.2-74-166.315100112.2E315 R316 K321 L322 R323E315-E319 PolarHBondContact O-N 2.96Å; R316-E319 PolarHBondContact O-N 3.44Å; E319-K321 VanDerWaalsContact C-N 3.35Å; E319-K321 PolarHBondContact O-N 3.31Å; E319-L322 WeakPolarHBondContact O-CB 3.47Å; E319-L322 PolarHBondContact O-N 3.36Å; E319-L322 VanDerWaalsContact O-N 3.13Å; E319-R323 WeakPolarHBondContact O-CG 3.35Å; E319-R323 PolarHBondContact O-N 3.25Å
320E81.3Confident81.3Confident132 Ų132130.1 Ų130.162%0.61756%0.562SS**Hα-helixtrans-63.7-40.9179-164.4-168.7158.700111.7R316 L322 R323 K324R316-E320 WeakPolarHBondContact O-CB 3.38Å; R316-E320 PolarHBondContact O-N 3.11Å; E320-L322 VanDerWaalsContact C-N 3.31Å; E320-L322 PolarHBondContact O-N 3.3Å; E320-R323 PolarHBondContact O-N 2.88Å; E320-K324 WeakPolarHBondContact O-CB 3.47Å; E320-K324 PolarHBondContact O-N 3.38Å
321K81.9Confident80.7Confident143 Ų143129.6 Ų129.662%0.62256%0.562SS**Hα-helixtrans-61.8-38.6173.2-78.2174.8-177.5178.20112K317 R318 E319 R325K317-K321 WeakPolarHBondContact O-CB 3.34Å; K317-K321 VanDerWaalsContact O-CG 3.23Å; K317-K321 WeakPolarHBondContact O-CG 3.37Å; K317-K321 PolarHBondContact O-N 3Å; K317-K321 VanDerWaalsContact O-N 3.17Å; R318-K321 PolarHBondContact O-N 3Å; E319-K321 VanDerWaalsContact C-N 3.35Å; E319-K321 PolarHBondContact O-N 3.31Å; K321-R325 WeakPolarHBondContact O-CG 3.37Å; K321-R325 PolarHBondContact O-N 2.98Å; K321-R325 VanDerWaalsContact O-N 3.09Å
322L79.2Confident80.2Confident102 Ų102131.5 Ų131.553%0.53456%0.564SS.*Hα-helixtrans-64.6-50.8177-153.896.9000110.4R318 E319 E320 K324 R325 E326R318-L322 PolarHBondContact O-N 3.3Å; E319-L322 WeakPolarHBondContact O-CB 3.47Å; E319-L322 PolarHBondContact O-N 3.36Å; E319-L322 VanDerWaalsContact O-N 3.13Å; E320-L322 VanDerWaalsContact C-N 3.31Å; E320-L322 PolarHBondContact O-N 3.3Å; L322-K324 VanDerWaalsContact C-N 3.31Å; L322-K324 PolarHBondContact O-N 3.39Å; L322-R325 WeakPolarHBondContact O-CA 3.36Å; L322-R325 WeakPolarHBondContact O-CB 3.25Å; L322-R325 PolarHBondContact O-N 3.01Å; L322-E326 PolarHBondContact O-N 3.24Å
323R79.8Confident79.6Confident174 Ų174133.1 Ų133.166%0.65757%0.569SS**Hα-helixtrans-56.5-43.2176.8-71-177.8-178.8-165.82.4112.3E319 E320 R325 E326 Q327E319-R323 WeakPolarHBondContact O-CG 3.35Å; E319-R323 PolarHBondContact O-N 3.25Å; E320-R323 PolarHBondContact O-N 2.88Å; R323-R325 VanDerWaalsContact C-N 3.31Å; R323-R325 PolarHBondContact O-N 3.11Å; R323-E326 PolarHBondContact O-N 2.89Å; R323-Q327 WeakPolarHBondContact O-CB 3.33Å; R323-Q327 PolarHBondContact O-N 3.34Å
324K82.1Confident79Confident127 Ų127133.7 Ų133.755%0.55258%0.575SS**Hα-helixtrans-66.3-31.5177.4-166.1170.1-171.5167.90112.7E320 L322 K328E320-K324 WeakPolarHBondContact O-CB 3.47Å; E320-K324 PolarHBondContact O-N 3.38Å; L322-K324 VanDerWaalsContact C-N 3.31Å; L322-K324 PolarHBondContact O-N 3.39Å; K324-K328 WeakPolarHBondContact O-CB 3.44Å; K324-K328 VanDerWaalsContact O-CG 3.28Å; K324-K328 WeakPolarHBondContact O-CG 3.33Å; K324-K328 PolarHBondContact O-N 3.44Å
325R75.8Confident78.6Confident177 Ų177136 Ų13667%0.66858%0.584SS**Hα-helixtrans-71.7-43.9173.8-75.9174.3176.7-170.2-0.6111.3K321 L322 R323 K328 Q329K321-R325 WeakPolarHBondContact O-CG 3.37Å; K321-R325 PolarHBondContact O-N 2.98Å; K321-R325 VanDerWaalsContact O-N 3.09Å; L322-R325 WeakPolarHBondContact O-CA 3.36Å; L322-R325 WeakPolarHBondContact O-CB 3.25Å; L322-R325 PolarHBondContact O-N 3.01Å; R323-R325 VanDerWaalsContact C-N 3.31Å; R323-R325 PolarHBondContact O-N 3.11Å; R325-K328 PolarHBondContact O-N 3.22Å; R325-Q329 PolarHBondContact O-N 3.41Å
326E78.1Confident78.1Confident91 Ų91138.9 Ų138.943%0.42559%0.589SS.*Hα-helixtrans-61-45.2176.1-71.1-179.1164.600111.7L322 R323 K328 Q329 R330L322-E326 PolarHBondContact O-N 3.24Å; R323-E326 PolarHBondContact O-N 2.89Å; E326-K328 PolarHBondContact O-N 3.38Å; E326-Q329 PolarHBondContact O-N 2.7Å; E326-Q329 VanDerWaalsContact O-N 3.15Å; E326-R330 PolarHBondContact O-N 3.39Å
327Q72.3Confident77.7Confident128 Ų128135 Ų13560%0.59858%0.582SS**Hα-helixtrans-63.3-42.9178.2-163.4165.91500111.7R323 Q329 R330 D331R323-Q327 WeakPolarHBondContact O-CB 3.33Å; R323-Q327 PolarHBondContact O-N 3.34Å; Q327-Q329 VanDerWaalsContact C-N 3.3Å; Q327-Q329 PolarHBondContact O-N 3.23Å; Q327-R330 PolarHBondContact O-N 2.79Å; Q327-D331 PolarHBondContact O-N 3.13Å
328K78.3Confident77.1Confident118 Ų118135.8 Ų135.851%0.51359%0.588SS.*Hα-helixtrans-63.1-32.3173.7-77.8179.6178.2-172.90113.4K324 R325 E326 R332K324-K328 WeakPolarHBondContact O-CB 3.44Å; K324-K328 VanDerWaalsContact O-CG 3.28Å; K324-K328 WeakPolarHBondContact O-CG 3.33Å; K324-K328 PolarHBondContact O-N 3.44Å; R325-K328 PolarHBondContact O-N 3.22Å; E326-K328 PolarHBondContact O-N 3.38Å; K328-R332 WeakPolarHBondContact O-CD 3.28Å; K328-R332 VanDerWaalsContact O-CG 3.23Å; K328-R332 WeakPolarHBondContact O-CG 3.32Å; K328-R332 PolarHBondContact O-N 3.49Å
329Q72.4Confident76.9Confident126 Ų126134.1 Ų134.159%0.58959%0.585SS**Hα-helixtrans-69.6-46.7175-81.1180-24.200111R325 E326 Q327 D331 R332 E333R325-Q329 PolarHBondContact O-N 3.41Å; E326-Q329 PolarHBondContact O-N 2.7Å; E326-Q329 VanDerWaalsContact O-N 3.15Å; Q327-Q329 VanDerWaalsContact C-N 3.3Å; Q327-Q329 PolarHBondContact O-N 3.23Å; Q329-D331 VanDerWaalsContact C-N 3.35Å; Q329-D331 PolarHBondContact O-N 2.92Å; Q329-R332 PolarHBondContact O-N 3.33Å; Q329-R332 VanDerWaalsContact O-N 3.16Å; Q329-E333 PolarHBondContact O-N 2.58Å
330R73.1Confident76.6Confident170 Ų170135.1 Ų135.164%0.64259%0.588SS**Hα-helixtrans-58.4-44.2175.8-69.3-178.4-174.6-170.73.1112.2E326 Q327 R332 E333 L334E326-R330 PolarHBondContact O-N 3.39Å; Q327-R330 PolarHBondContact O-N 2.79Å; R330-R332 VanDerWaalsContact C-N 3.32Å; R330-R332 PolarHBondContact O-N 3.48Å; R330-E333 PolarHBondContact O-N 3.22Å; R330-L334 WeakPolarHBondContact O-CG 3.29Å; R330-L334 PolarHBondContact O-N 3.37Å
331D76.4Confident76.2Confident80 Ų80133.7 Ų133.743%0.42858%0.584SS.*Hα-helixtrans-63.5-36.9177.6-69.9-16.9000112.8Q327 Q329 R335Q327-D331 PolarHBondContact O-N 3.13Å; Q329-D331 VanDerWaalsContact C-N 3.35Å; Q329-D331 PolarHBondContact O-N 2.92Å; D331-R335 WeakPolarHBondContact O-CB 3.29Å; D331-R335 WeakPolarHBondContact O-CG 3.21Å; D331-R335 PolarHBondContact O-N 3.36Å
332R76.3Confident76.1Confident171 Ų171132 Ų13265%0.64558%0.578SS**Hα-helixtrans-68.4-37.9175.7-75.9172.6177.8-167.2-1111.7K328 Q329 R330 R336K328-R332 WeakPolarHBondContact O-CD 3.28Å; K328-R332 VanDerWaalsContact O-CG 3.23Å; K328-R332 WeakPolarHBondContact O-CG 3.32Å; K328-R332 PolarHBondContact O-N 3.49Å; Q329-R332 PolarHBondContact O-N 3.33Å; Q329-R332 VanDerWaalsContact O-N 3.16Å; R330-R332 VanDerWaalsContact C-N 3.32Å; R330-R332 PolarHBondContact O-N 3.48Å; R332-R336 VanDerWaalsContact O-CG 3.31Å; R332-R336 WeakPolarHBondContact O-CG 3.46Å; R332-R336 PolarHBondContact O-N 3.46Å; R332-R336 VanDerWaalsContact O-N 3.07Å
333E75.7Confident76.1Confident122 Ų122134.3 Ų134.357%0.5758%0.584SS**Hα-helixtrans-66.5-46175.5-74.7178.2173.300111.7Q329 R330 R335 R336 N337Q329-E333 PolarHBondContact O-N 2.58Å; R330-E333 PolarHBondContact O-N 3.22Å; E333-R335 PolarHBondContact O-N 2.68Å; E333-R336 PolarHBondContact O-N 3.06Å; E333-N337 PolarHBondContact O-N 2.74Å
334L73.5Confident75.9Confident116 Ų116131.1 Ų131.161%0.60758%0.579SS**Hα-helixtrans-58-46.9175.1-71.2172.3000111.6R330 R336 N337 Q338R330-L334 WeakPolarHBondContact O-CG 3.29Å; R330-L334 PolarHBondContact O-N 3.37Å; L334-R336 VanDerWaalsContact C-N 3.34Å; L334-R336 PolarHBondContact O-N 3.4Å; L334-N337 PolarHBondContact O-N 3.23Å; L334-Q338 WeakPolarHBondContact O-CB 3.44Å; L334-Q338 PolarHBondContact O-N 3.24Å
335R76.7Confident75.4Confident180 Ų180130.1 Ų130.168%0.67958%0.576SS**Hα-helixtrans-62.2-36.7176.5-76.3179178-168.2-0.1113.3D331 E333 K339D331-R335 WeakPolarHBondContact O-CB 3.29Å; D331-R335 WeakPolarHBondContact O-CG 3.21Å; D331-R335 PolarHBondContact O-N 3.36Å; E333-R335 PolarHBondContact O-N 2.68Å; R335-K339 WeakPolarHBondContact O-CG 3.48Å; R335-K339 PolarHBondContact O-N 2.98Å; R335-K339 VanDerWaalsContact O-N 3.13Å
336R75.3Confident75.5Confident178 Ų178123.8 Ų123.867%0.67256%0.562SS**Hα-helixtrans-68.1-40.7176.6-77.8174.7177.4-172.6-1111.3R332 E333 L334 K340R332-R336 VanDerWaalsContact O-CG 3.31Å; R332-R336 WeakPolarHBondContact O-CG 3.46Å; R332-R336 PolarHBondContact O-N 3.46Å; R332-R336 VanDerWaalsContact O-N 3.07Å; E333-R336 PolarHBondContact O-N 3.06Å; L334-R336 VanDerWaalsContact C-N 3.34Å; L334-R336 PolarHBondContact O-N 3.4Å; R336-K340 WeakPolarHBondContact O-CG 2.98Å; R336-K340 PolarHBondContact O-N 3.37Å; R336-K340 VanDerWaalsContact O-N 3.16Å
337N76.3Confident75.6Confident100 Ų100125.2 Ų125.254%0.53557%0.569SS.*Hα-helixtrans-67.2-41.7177-75.9-11.7000111.8E333 L334 K340 L341E333-N337 PolarHBondContact O-N 2.74Å; L334-N337 PolarHBondContact O-N 3.23Å; N337-K340 PolarHBondContact O-N 2.9Å; N337-L341 PolarHBondContact O-N 2.76Å; N337-L341 VanDerWaalsContact O-N 3.08Å
338Q72Confident75.7Confident120 Ų120125.7 Ų125.756%0.56157%0.571SS**Hα-helixtrans-62.1-45.2177.1-162.6170.215.900112.1L334 K340 L341 E342L334-Q338 WeakPolarHBondContact O-CB 3.44Å; L334-Q338 PolarHBondContact O-N 3.24Å; Q338-K340 VanDerWaalsContact C-N 3.31Å; Q338-K340 PolarHBondContact O-N 3.21Å; Q338-L341 WeakPolarHBondContact O-CB 3.48Å; Q338-L341 PolarHBondContact O-N 3.26Å; Q338-L341 VanDerWaalsContact O-N 3.16Å; Q338-E342 PolarHBondContact O-N 2.88Å
339K77.1Confident75.4Confident144 Ų144126.4 Ų126.463%0.62658%0.576SS**Hα-helixtrans-63.6-31.8175.5-74.7-176.8178.1-169.30114R335 K343R335-K339 WeakPolarHBondContact O-CG 3.48Å; R335-K339 PolarHBondContact O-N 2.98Å; R335-K339 VanDerWaalsContact O-N 3.13Å; K339-K343 WeakPolarHBondContact O-CG 3.29Å; K339-K343 PolarHBondContact O-N 3.33Å
340K76.4Confident75.9Confident139 Ų139127 Ų12760%0.60458%0.577SS**Hα-helixtrans-68.4-41.1174.6-76.9176.3179.1-1780110.9R336 N337 Q338 K343 L344R336-K340 WeakPolarHBondContact O-CG 2.98Å; R336-K340 PolarHBondContact O-N 3.37Å; R336-K340 VanDerWaalsContact O-N 3.16Å; N337-K340 PolarHBondContact O-N 2.9Å; Q338-K340 VanDerWaalsContact C-N 3.31Å; Q338-K340 PolarHBondContact O-N 3.21Å; K340-K343 PolarHBondContact O-N 2.81Å; K340-L344 PolarHBondContact O-N 2.97Å
341L72.8Confident76.3Confident101 Ų101124.4 Ų124.453%0.52957%0.572SS.*Hα-helixtrans-65.1-44.3178.5-169.165.4000111.8N337 Q338 K343 L344 Q345N337-L341 PolarHBondContact O-N 2.76Å; N337-L341 VanDerWaalsContact O-N 3.08Å; Q338-L341 WeakPolarHBondContact O-CB 3.48Å; Q338-L341 PolarHBondContact O-N 3.26Å; Q338-L341 VanDerWaalsContact O-N 3.16Å; L341-K343 VanDerWaalsContact C-N 3.33Å; L341-K343 PolarHBondContact O-N 2.71Å; L341-L344 PolarHBondContact O-N 2.84Å; L341-Q345 WeakPolarHBondContact O-CG 3.34Å; L341-Q345 PolarHBondContact O-N 3.49Å; L341-Q345 VanDerWaalsContact O-N 3.08Å
342E78.3Confident76.2Confident109 Ų109125.7 Ų125.751%0.50958%0.578SS.*Hα-helixtrans-61.2-38.4176.5-74171.6-179.800112.7Q338 Q345 A346Q338-E342 PolarHBondContact O-N 2.88Å; E342-Q345 PolarHBondContact O-N 2.81Å; E342-A346 WeakPolarHBondContact O-CB 3.42Å; E342-A346 PolarHBondContact O-N 2.9Å
343K79.1Confident76.2Confident150 Ų150123 Ų12365%0.65257%0.573SS**Hα-helixtrans-64.8-43.5176.3-79.6-174.9176.7-168.10112.6K339 K340 L341 Q345 A346 E347K339-K343 WeakPolarHBondContact O-CG 3.29Å; K339-K343 PolarHBondContact O-N 3.33Å; K340-K343 PolarHBondContact O-N 2.81Å; L341-K343 VanDerWaalsContact C-N 3.33Å; L341-K343 PolarHBondContact O-N 2.71Å; K343-Q345 VanDerWaalsContact C-N 3.33Å; K343-A346 PolarHBondContact O-N 3.49Å; K343-E347 PolarHBondContact O-N 2.93Å
344L76.1Confident76.5Confident107 Ų107123.3 Ų123.356%0.5658%0.575SS**Hα-helixtrans-60.9-44.5176.9-76163.7000111K340 L341 A346 E347 E348K340-L344 PolarHBondContact O-N 2.97Å; L341-L344 PolarHBondContact O-N 2.84Å; L344-A346 PolarHBondContact O-N 3.05Å; L344-E347 PolarHBondContact O-N 2.82Å; L344-E348 PolarHBondContact O-N 2.9Å
345Q71.8Confident76.8Confident105 Ų105123.9 Ų123.949%0.49157%0.572SS.*Hα-helixtrans-63.3-39.5176.6-71.1178.8-14.100112.5L341 E342 K343 E348 Q349L341-Q345 WeakPolarHBondContact O-CG 3.34Å; L341-Q345 PolarHBondContact O-N 3.49Å; L341-Q345 VanDerWaalsContact O-N 3.08Å; E342-Q345 PolarHBondContact O-N 2.81Å; K343-Q345 VanDerWaalsContact C-N 3.33Å; Q345-E348 PolarHBondContact O-N 3.44Å; Q345-Q349 WeakPolarHBondContact O-CG 3.38Å; Q345-Q349 PolarHBondContact O-N 3.41Å
346A78.8Confident76.8Confident45 Ų45119.2 Ų119.237%0.37256%0.56SS.*Hα-helixtrans-68-35.4177.200000112.8E342 K343 L344 K350E342-A346 WeakPolarHBondContact O-CB 3.42Å; E342-A346 PolarHBondContact O-N 2.9Å; K343-A346 PolarHBondContact O-N 3.49Å; L344-A346 PolarHBondContact O-N 3.05Å; A346-K350 WeakPolarHBondContact O-CG 3.4Å; A346-K350 PolarHBondContact O-N 3.41Å; A346-K350 VanDerWaalsContact O-N 3.13Å
347E78.1Confident77.2Confident120 Ų120117.2 Ų117.256%0.56156%0.556SS**Hα-helixtrans-67-43.3173.4-77.8178-178.300111.6K343 L344 Q349 K350 Q351K343-E347 PolarHBondContact O-N 2.93Å; L344-E347 PolarHBondContact O-N 2.82Å; E347-Q349 PolarHBondContact O-N 3.02Å; E347-K350 PolarHBondContact O-N 3.35Å; E347-Q351 WeakPolarHBondContact O-CG 3.25Å; E347-Q351 PolarHBondContact O-N 2.9Å; E347-Q351 VanDerWaalsContact O-N 3.1Å
348E76.2Confident77.3Confident138 Ų138117.5 Ų117.565%0.64556%0.557SS**Hα-helixtrans-60-44.8173.6-84.7-171.7145.900112.2L344 Q345 K350 Q351 L352L344-E348 PolarHBondContact O-N 2.9Å; Q345-E348 PolarHBondContact O-N 3.44Å; E348-K350 VanDerWaalsContact C-N 3.32Å; E348-K350 PolarHBondContact O-N 2.93Å; E348-Q351 PolarHBondContact O-N 2.85Å; E348-L352 PolarHBondContact O-N 3.31Å
349Q71.8Confident77.8Confident133 Ų133118.2 Ų118.262%0.62156%0.56SS**Hα-helixtrans-62.3-38.1178.2-77.5-174.7-3.400112.6Q345 E347 L352 Q353Q345-Q349 WeakPolarHBondContact O-CG 3.38Å; Q345-Q349 PolarHBondContact O-N 3.41Å; E347-Q349 PolarHBondContact O-N 3.02Å; Q349-L352 PolarHBondContact O-N 3.14Å; Q349-Q353 WeakPolarHBondContact O-CG 3.46Å; Q349-Q353 PolarHBondContact O-N 3.44Å
350K82.1Confident77.9Confident139 Ų139116.9 Ų116.960%0.60456%0.556SS**Hα-helixtrans-64.7-44.7175.4-77.8179.4179.2-177.30112A346 E347 E348 L352 Q353 E354A346-K350 WeakPolarHBondContact O-CG 3.4Å; A346-K350 PolarHBondContact O-N 3.41Å; A346-K350 VanDerWaalsContact O-N 3.13Å; E347-K350 PolarHBondContact O-N 3.35Å; E348-K350 VanDerWaalsContact C-N 3.32Å; E348-K350 PolarHBondContact O-N 2.93Å; K350-L352 VanDerWaalsContact C-N 3.26Å; K350-L352 PolarHBondContact O-N 2.95Å; K350-Q353 PolarHBondContact O-N 2.78Å; K350-E354 PolarHBondContact O-N 3.14Å
351Q81.3Confident78Confident116 Ų116118.6 Ų118.654%0.54256%0.559SS.*Hα-helixtrans-61.8-37.6176.4-70.3-174.78.600111.8E347 E348 E354 K355E347-Q351 WeakPolarHBondContact O-CG 3.25Å; E347-Q351 PolarHBondContact O-N 2.9Å; E347-Q351 VanDerWaalsContact O-N 3.1Å; E348-Q351 PolarHBondContact O-N 2.85Å; Q351-E354 PolarHBondContact O-N 3.2Å; Q351-K355 WeakPolarHBondContact O-CG 3.44Å; Q351-K355 PolarHBondContact O-N 2.89Å; Q351-K355 VanDerWaalsContact O-N 3.15Å
352L75.4Confident78.4Confident107 Ų107120.9 Ų120.956%0.5656%0.564SS**Hα-helixtrans-65.2-44.1175.7-15975.6000111.4E348 Q349 K350 E354 K355 I356E348-L352 PolarHBondContact O-N 3.31Å; Q349-L352 PolarHBondContact O-N 3.14Å; K350-L352 VanDerWaalsContact C-N 3.26Å; K350-L352 PolarHBondContact O-N 2.95Å; L352-E354 PolarHBondContact O-N 2.75Å; L352-K355 WeakPolarHBondContact O-CB 3.27Å; L352-K355 PolarHBondContact O-N 2.82Å; L352-I356 WeakPolarHBondContact O-CG1 3.34Å; L352-I356 PolarHBondContact O-N 3.33Å
353Q75.2Confident78.4Confident115 Ų115121.8 Ų121.854%0.53757%0.572SS.*Hα-helixtrans-63.1-37.9176.5-78.2-174.1-6.700113.2Q349 K350 K355 I356 K357Q349-Q353 WeakPolarHBondContact O-CG 3.46Å; Q349-Q353 PolarHBondContact O-N 3.44Å; K350-Q353 PolarHBondContact O-N 2.78Å; Q353-K355 VanDerWaalsContact C-N 3.35Å; Q353-I356 PolarHBondContact O-N 3.38Å; Q353-K357 WeakPolarHBondContact O-CG 3.38Å; Q353-K357 PolarHBondContact O-N 2.64Å
354E82.3Confident78.5Confident128 Ų128119.9 Ų119.960%0.59857%0.568SS**Hα-helixtrans-64.8-39.5175.3-74.9-179.317300112K350 Q351 L352 K357 L358K350-E354 PolarHBondContact O-N 3.14Å; Q351-E354 PolarHBondContact O-N 3.2Å; L352-E354 PolarHBondContact O-N 2.75Å; E354-K357 PolarHBondContact O-N 2.75Å; E354-L358 WeakPolarHBondContact O-CG 3.42Å; E354-L358 PolarHBondContact O-N 2.87Å; E354-L358 VanDerWaalsContact O-N 3.08Å
355K79.8Confident78.6Confident128 Ų128119.5 Ų119.556%0.55757%0.566SS**Hα-helixtrans-62.5-44.7174-72.1175-178.31770111.6Q351 L352 Q353 K357 L358 E359Q351-K355 WeakPolarHBondContact O-CG 3.44Å; Q351-K355 PolarHBondContact O-N 2.89Å; Q351-K355 VanDerWaalsContact O-N 3.15Å; L352-K355 WeakPolarHBondContact O-CB 3.27Å; L352-K355 PolarHBondContact O-N 2.82Å; Q353-K355 VanDerWaalsContact C-N 3.35Å; K355-K357 PolarHBondContact O-N 3.21Å; K355-L358 PolarHBondContact O-N 3.42Å; K355-E359 PolarHBondContact O-N 2.75Å
356I77.1Confident79Confident81 Ų81116.9 Ų116.942%0.41556%0.563SS.*Hα-helixtrans-59.1-48.6177.1-67.3165.4000110.8L352 Q353 L358 E359 E360L352-I356 WeakPolarHBondContact O-CG1 3.34Å; L352-I356 PolarHBondContact O-N 3.33Å; Q353-I356 PolarHBondContact O-N 3.38Å; I356-L358 VanDerWaalsContact C-N 3.29Å; I356-L358 PolarHBondContact O-N 3.43Å; I356-E359 PolarHBondContact O-N 2.91Å; I356-E359 VanDerWaalsContact O-N 3.11Å; I356-E360 HydrophobicContact CG2-CG 4.38Å; I356-E360 WeakPolarHBondContact O-CG 3.47Å; I356-E360 PolarHBondContact O-N 2.94Å
357K82.6Confident78.8Confident137 Ų137119.8 Ų119.860%0.59657%0.569SS**Hα-helixtrans-60-37.8178.4-74.1177.3-179.1176.90112.9Q353 E354 K355 R361Q353-K357 WeakPolarHBondContact O-CG 3.38Å; Q353-K357 PolarHBondContact O-N 2.64Å; E354-K357 PolarHBondContact O-N 2.75Å; K355-K357 PolarHBondContact O-N 3.21Å; K357-R361 WeakPolarHBondContact O-CB 3.4Å; K357-R361 PolarHBondContact O-N 2.74Å; K357-R361 VanDerWaalsContact O-N 3.11Å
358L79.6Confident78.9Confident105 Ų105123.2 Ų123.255%0.5558%0.577SS.*Hα-helixtrans-66.3-39.7176.5-79.3166.8000111.7E354 K355 I356 K362E354-L358 WeakPolarHBondContact O-CG 3.42Å; E354-L358 PolarHBondContact O-N 2.87Å; E354-L358 VanDerWaalsContact O-N 3.08Å; K355-L358 PolarHBondContact O-N 3.42Å; I356-L358 VanDerWaalsContact C-N 3.29Å; I356-L358 PolarHBondContact O-N 3.43Å; L358-K362 WeakPolarHBondContact O-CG 3.36Å; L358-K362 PolarHBondContact O-N 3.13Å
359E82.1Confident78.8Confident135 Ų135121.6 Ų121.663%0.63157%0.572SS**Hα-helixtrans-69.6-42.7176.6-71-169168.600112.4K355 I356 R361 K362 L363K355-E359 PolarHBondContact O-N 2.75Å; I356-E359 PolarHBondContact O-N 2.91Å; I356-E359 VanDerWaalsContact O-N 3.11Å; E359-R361 VanDerWaalsContact C-N 3.3Å; E359-R361 PolarHBondContact O-N 3.23Å; E359-K362 WeakPolarHBondContact O-CB 3.47Å; E359-K362 PolarHBondContact O-N 3.1Å; E359-K362 VanDerWaalsContact O-N 3.11Å; E359-L363 PolarHBondContact O-N 3.3Å
360E78.3Confident79.1Confident116 Ų116120.2 Ų120.254%0.54257%0.569SS.*Hα-helixtrans-58.1-42174.2-74.3179.516100112.1I356 K362 L363 L364I356-E360 HydrophobicContact CG2-CG 4.38Å; I356-E360 WeakPolarHBondContact O-CG 3.47Å; I356-E360 PolarHBondContact O-N 2.94Å; E360-K362 VanDerWaalsContact C-N 3.34Å; E360-K362 PolarHBondContact O-N 3.49Å; E360-L363 WeakPolarHBondContact O-CB 3.45Å; E360-L363 PolarHBondContact O-N 3.01Å; E360-L364 PolarHBondContact O-N 3.33Å
361R80Confident78.9Confident175 Ų175119 Ų11966%0.6657%0.565SS**Hα-helixtrans-63.2-39.8176.2-173.8179.7178.4-167.10.1112K357 E359 L365K357-R361 WeakPolarHBondContact O-CB 3.4Å; K357-R361 PolarHBondContact O-N 2.74Å; K357-R361 VanDerWaalsContact O-N 3.11Å; E359-R361 VanDerWaalsContact C-N 3.3Å; E359-R361 PolarHBondContact O-N 3.23Å; R361-L365 HydrophobicContact CG-CD1 4.46Å; R361-L365 WeakPolarHBondContact O-CG 3.33Å; R361-L365 PolarHBondContact O-N 3Å; R361-L365 VanDerWaalsContact O-N 3.16Å
362K80.2Confident78.5Confident149 Ų149116 Ų11665%0.64856%0.557SS**Hα-helixtrans-64.8-42175-74.6176.6-178.8176.40111.2L358 E359 E360 L365 A366L358-K362 WeakPolarHBondContact O-CG 3.36Å; L358-K362 PolarHBondContact O-N 3.13Å; E359-K362 WeakPolarHBondContact O-CB 3.47Å; E359-K362 PolarHBondContact O-N 3.1Å; E359-K362 VanDerWaalsContact O-N 3.11Å; E360-K362 VanDerWaalsContact C-N 3.34Å; E360-K362 PolarHBondContact O-N 3.49Å; K362-L365 PolarHBondContact O-N 3.46Å; K362-A366 PolarHBondContact O-N 3.23Å
363L79.1Confident78.5Confident128 Ų128116 Ų11667%0.6756%0.556SS**Hα-helixtrans-62.2-44.9178.9-155.5106.8000111.5E359 E360 L365 A366 Q367E359-L363 PolarHBondContact O-N 3.3Å; E360-L363 WeakPolarHBondContact O-CB 3.45Å; E360-L363 PolarHBondContact O-N 3.01Å; L363-L365 PolarHBondContact O-N 3.14Å; L363-A366 PolarHBondContact O-N 3.01Å; L363-Q367 PolarHBondContact O-N 3.19Å
364L81.5Confident78.4Confident110 Ų110119.1 Ų119.158%0.57656%0.564SS**Hα-helixtrans-60.8-42176-90.6163.3000113E360 Q367 R368E360-L364 PolarHBondContact O-N 3.33Å; L364-Q367 PolarHBondContact O-N 2.87Å; L364-R368 PolarHBondContact O-N 3.47Å
365L78.1Confident78Confident99 Ų99118.4 Ų118.452%0.51856%0.563SS.*Hα-helixtrans-65.4-40.5177.1-73.6169.5000111.7R361 K362 L363 R368 N369R361-L365 HydrophobicContact CG-CD1 4.46Å; R361-L365 WeakPolarHBondContact O-CG 3.33Å; R361-L365 PolarHBondContact O-N 3Å; R361-L365 VanDerWaalsContact O-N 3.16Å; K362-L365 PolarHBondContact O-N 3.46Å; L363-L365 PolarHBondContact O-N 3.14Å; L365-R368 PolarHBondContact O-N 3.39Å; L365-N369 PolarHBondContact O-N 3.41Å; L365-N369 VanDerWaalsContact O-N 3.08Å
366A78.9Confident77.5Confident51 Ų51117 Ų11742%0.42156%0.561SS.*Hα-helixtrans-63.9-41.2175.200000112K362 L363 N369 L370K362-A366 PolarHBondContact O-N 3.23Å; L363-A366 PolarHBondContact O-N 3.01Å; A366-N369 PolarHBondContact O-N 3.39Å; A366-L370 PolarHBondContact O-N 3.45Å
367Q76.1Confident77Confident106 Ų106115.9 Ų115.950%0.49556%0.564SS.*Hα-helixtrans-63.4-43.6177.6-168.5177.47.400112L363 L364 N369 L370 Q371L363-Q367 PolarHBondContact O-N 3.19Å; L364-Q367 PolarHBondContact O-N 2.87Å; Q367-N369 PolarHBondContact O-N 3.01Å; Q367-L370 PolarHBondContact O-N 2.91Å; Q367-Q371 WeakPolarHBondContact O-CG 3.16Å; Q367-Q371 PolarHBondContact O-N 3.04Å
368R79.3Confident76.6Confident191 Ų191115.4 Ų115.472%0.72156%0.563SS**Hα-helixtrans-62.1-40.8174.6-101.5-172.6172.6178.8-1.1112.6L364 L365 Q371 S372L364-R368 PolarHBondContact O-N 3.47Å; L365-R368 PolarHBondContact O-N 3.39Å; R368-Q371 PolarHBondContact O-N 3.12Å; R368-S372 PolarHBondContact O-N 3.16Å; R368-S372 PolarHBondContact O-OG 2.85Å
369N73.9Confident76Confident104 Ų104115.8 Ų115.856%0.55657%0.565SS**Hα-helixtrans-65.5-39176.3-81.5-10.3000112.3L365 A366 Q367 Q371 S372 I373L365-N369 PolarHBondContact O-N 3.41Å; L365-N369 VanDerWaalsContact O-N 3.08Å; A366-N369 PolarHBondContact O-N 3.39Å; Q367-N369 PolarHBondContact O-N 3.01Å; N369-Q371 VanDerWaalsContact C-N 3.35Å; N369-S372 PolarHBondContact O-N 3.38Å; N369-S372 PolarHBondContact O-OG 3.32Å; N369-I373 WeakPolarHBondContact O-CD1 3.21Å; N369-I373 VanDerWaalsContact O-CG1 3.24Å; N369-I373 WeakPolarHBondContact O-CG1 3.46Å; N369-I373 PolarHBondContact O-N 3.23Å
370L78.1Confident75.1Confident105 Ų105115.1 Ų115.155%0.5557%0.565SS.*Hα-helixtrans-66.1-38.6175.1-80.6165.9000112.1A366 Q367 R374A366-L370 PolarHBondContact O-N 3.45Å; Q367-L370 PolarHBondContact O-N 2.91Å; L370-R374 PolarHBondContact O-N 3.5Å
371Q78.3Confident74.3Confident112 Ų112113.6 Ų113.652%0.52357%0.568SS.*Hα-helixtrans-67.4-39.6175.8-73.9-177.9-20.500112.2Q367 R368 N369 R374 L375Q367-Q371 WeakPolarHBondContact O-CG 3.16Å; Q367-Q371 PolarHBondContact O-N 3.04Å; R368-Q371 PolarHBondContact O-N 3.12Å; N369-Q371 VanDerWaalsContact C-N 3.35Å; Q371-R374 PolarHBondContact O-N 2.82Å; Q371-L375 PolarHBondContact O-N 3.2Å
372S72.8Confident73.4Confident53 Ų53115.7 Ų115.737%0.37158%0.576SS.*Hα-helixtrans-66.3-39.4176.367.70000111.9R368 N369 L375 I376R368-S372 PolarHBondContact O-N 3.16Å; R368-S372 PolarHBondContact O-OG 2.85Å; N369-S372 PolarHBondContact O-N 3.38Å; N369-S372 PolarHBondContact O-OG 3.32Å; S372-L375 PolarHBondContact O-N 2.82Å; S372-I376 VanDerWaalsContact O-CG1 3.27Å; S372-I376 WeakPolarHBondContact O-CG1 3.49Å; S372-I376 PolarHBondContact O-N 3.47Å; S372-I376 VanDerWaalsContact O-N 3.09Å
373I74.4Confident72.2Confident107 Ų107112.6 Ų112.655%0.54958%0.578SS.*Hα-helixtrans-63.9-44.5174.8-67.9166.3000111.4N369 L375 I376 A377N369-I373 WeakPolarHBondContact O-CD1 3.21Å; N369-I373 VanDerWaalsContact O-CG1 3.24Å; N369-I373 WeakPolarHBondContact O-CG1 3.46Å; N369-I373 PolarHBondContact O-N 3.23Å; I373-L375 PolarHBondContact O-N 3.01Å; I373-I376 PolarHBondContact O-N 3.5Å; I373-A377 WeakPolarHBondContact O-CB 3.45Å; I373-A377 PolarHBondContact O-N 2.88Å
374R73.2Confident70.3Confident182 Ų182115.6 Ų115.669%0.68759%0.585SS**Hα-helixtrans-60.7-44.6177-81.9-176.5-172.2166.73.1112.3L370 Q371 I376 A377 E378L370-R374 PolarHBondContact O-N 3.5Å; Q371-R374 PolarHBondContact O-N 2.82Å; R374-I376 VanDerWaalsContact C-N 3.32Å; R374-I376 PolarHBondContact O-N 2.8Å; R374-A377 PolarHBondContact O-N 3.2Å; R374-E378 WeakPolarHBondContact O-CB 3.22Å; R374-E378 PolarHBondContact O-N 2.87Å
375L75.1Confident68.1Low113 Ų113116.3 Ų116.359%0.59259%0.594SS**Hα-helixtrans-61.5-41.9178.6-167.276.7000111.6Q371 S372 I373 E378 L379Q371-L375 PolarHBondContact O-N 3.2Å; S372-L375 PolarHBondContact O-N 2.82Å; I373-L375 PolarHBondContact O-N 3.01Å; L375-E378 PolarHBondContact O-N 2.8Å; L375-L379 HydrophobicContact CG-CD1 4.35Å; L375-L379 WeakPolarHBondContact O-CG 3.36Å; L375-L379 PolarHBondContact O-N 3.3Å; L375-L379 VanDerWaalsContact O-N 3.08Å
376I69.4Low65.9Low99 Ų99117.9 Ų117.951%0.50861%0.61SS.*Hα-helixtrans-66.7-42.1176.9-66.9167.8000111S372 I373 R374 E378 L380S372-I376 VanDerWaalsContact O-CG1 3.27Å; S372-I376 WeakPolarHBondContact O-CG1 3.49Å; S372-I376 PolarHBondContact O-N 3.47Å; S372-I376 VanDerWaalsContact O-N 3.09Å; I373-I376 PolarHBondContact O-N 3.5Å; R374-I376 VanDerWaalsContact C-N 3.32Å; R374-I376 PolarHBondContact O-N 2.8Å; I376-E378 VanDerWaalsContact C-N 3.33Å; I376-E378 PolarHBondContact O-N 3.1Å; I376-L380 HydrophobicContact CG2-CD1 3.81Å; I376-L380 HydrophobicContact CG2-CG 4.47Å; I376-L380 WeakPolarHBondContact O-CB 3.19Å; I376-L380 WeakPolarHBondContact O-CG 3.48Å; I376-L380 PolarHBondContact O-N 3.42Å
377A66.8Low63.5Low57 Ų57118.9 Ų118.947%0.47163%0.625SS.*Hα-helixtrans-62.2-40177.700000112.2I373 R374 L380 S381I373-A377 WeakPolarHBondContact O-CB 3.45Å; I373-A377 PolarHBondContact O-N 2.88Å; R374-A377 PolarHBondContact O-N 3.2Å; A377-L380 PolarHBondContact O-N 2.9Å; A377-S381 WeakPolarHBondContact O-CB 3.24Å; A377-S381 PolarHBondContact O-N 2.86Å
378E72.4Confident61.3Low127 Ų127117 Ų11759%0.59364%0.635SS**Hα-helixtrans-73.4-38.6-178.2-156.1149.4-173.500112.1R374 L375 I376 S381 R382R374-E378 WeakPolarHBondContact O-CB 3.22Å; R374-E378 PolarHBondContact O-N 2.87Å; L375-E378 PolarHBondContact O-N 2.8Å; I376-E378 VanDerWaalsContact C-N 3.33Å; I376-E378 PolarHBondContact O-N 3.1Å; E378-S381 WeakPolarHBondContact CA-OG 3.36Å; E378-S381 PolarHBondContact O-N 2.89Å; E378-S381 PolarHBondContact O-OG 2.96Å; E378-R382 PolarHBondContact O-N 3.42Å
379L68.8Low58.8Low112 Ų112113.1 Ų113.159%0.58664%0.637SS**Hα-helixtrans-65.4-37172.4-70.7172.2000112.5L375 R382 A383L375-L379 HydrophobicContact CG-CD1 4.35Å; L375-L379 WeakPolarHBondContact O-CG 3.36Å; L375-L379 PolarHBondContact O-N 3.3Å; L375-L379 VanDerWaalsContact O-N 3.08Å; L379-R382 PolarHBondContact O-N 3.45Å; L379-A383 PolarHBondContact O-N 3.07Å
380L62.3Low56.5Low121 Ų121115.7 Ų115.763%0.63465%0.65SS**Hα-helixtrans-72.3-27.7175.2-73.2170.1000113I376 A377I376-L380 HydrophobicContact CG2-CD1 3.81Å; I376-L380 HydrophobicContact CG2-CG 4.47Å; I376-L380 WeakPolarHBondContact O-CB 3.19Å; I376-L380 WeakPolarHBondContact O-CG 3.48Å; I376-L380 PolarHBondContact O-N 3.42Å; A377-L380 PolarHBondContact O-N 2.9Å
381S60.6Low54.1Low85 Ų85115.4 Ų115.459%0.59466%0.656SS**Hα-helixtrans-72.9-25.6175.873.40000113.6A377 E378A377-S381 WeakPolarHBondContact O-CB 3.24Å; A377-S381 PolarHBondContact O-N 2.86Å; E378-S381 WeakPolarHBondContact CA-OG 3.36Å; E378-S381 PolarHBondContact O-N 2.89Å; E378-S381 PolarHBondContact O-OG 2.96Å
382R61.2Low51.8Low219 Ų219114.9 Ų114.983%0.82666%0.664SS**Hα-helixtrans-86.1-19.1177-83.9-176.2167.5175.6-2.3114.5E378 L379E378-R382 PolarHBondContact O-N 3.42Å; L379-R382 PolarHBondContact O-N 3.45Å
383A56.2Low49.8Very low84 Ų84122.7 Ų122.769%0.69469%0.686SS**SBendtrans-10018.2-172.700000114.6L379L379-A383 PolarHBondContact O-N 3.07Å
384K38.4Very low48.1Very low190 Ų190126.2 Ų126.283%0.82670%0.7SS**  trans-113.985.7-176.6-151.5150.3-172.9170.90112.9
385V35.8Very low46.3Very low125 Ų125122.8 Ų122.876%0.75870%0.701SS**  trans-84.5145.5164.9176.10000108G387V385-G387 PolarHBondContact O-N 3.38Å; V385-G387 VanDerWaalsContact O-N 3.16Å
386P32.1Very low44.3Very low132 Ų132128.6 Ų128.686%0.85772%0.715SS**SBendtrans-74111.5-168.328.6-33.3000111.4
387G29.5Very low43Very low72 Ų72129.7 Ų129.774%0.74273%0.728SS**  trans159.3137.9166.300000114V385V385-G387 PolarHBondContact O-N 3.38Å; V385-G387 VanDerWaalsContact O-N 3.16Å
388G29.6Very low41.3Very low68 Ų68130.2 Ų130.270%0.70174%0.739SS**  trans96.2101.8168.900000112.8
389S26.6Very low39.4Very low109 Ų109130.5 Ų130.576%0.76275%0.754SS**  54.698.380.689.50000110.8
390L25.6Very low39Very low157 Ų157129.8 Ų129.882%0.82276%0.756SS**  90.5135.597.5-86.6167.1000112.6
391C27.5Very low37.8Very low99 Ų99132.5 Ų132.567%0.66977%0.766SS**  trans70.3111.5144.6-75.80000118
392S29.2Very low36.1Very low101 Ų101134.6 Ų134.671%0.70678%0.779SS**  95.4148.2104.277.50000110.4
393R31Very low36.1Very low217 Ų217129.7 Ų129.782%0.81978%0.775SS**  cis-160.9141.222.2-109.1141.7178.9-138.91.5104.3
394Q38.6Very low36.6Very low181 Ų181130.7 Ų130.785%0.84678%0.775SS**  45.6151.1108.6-69.2-163.924.400116.9
395P36.1Very low36.2Very low110 Ų110128.6 Ų128.671%0.71477%0.772SS**  cis-129.8155.77.334.1-13.3000113.4
396R33.7Very low36.4Very low236 Ų236131.4 Ų131.489%0.89177%0.774SS**  20.5150.5100.3-69.8-168.5-175.3-148.62.8115.9
397P41.2Very low36.3Very low121 Ų121131.7 Ų131.779%0.78678%0.777SS**  cis-124.9164.19.58.119.8000111.9
398G31.8Very low36.3Very low68 Ų68132.3 Ų132.370%0.70178%0.784SS**  cis74.2912500000111
399C32.5Very low36.6Very low134 Ų134139.1 Ų139.191%0.90579%0.789SS**  175.117266.9-117.20000110.3
400P58.6Low37.1Very low97 Ų97143.4 Ų143.463%0.6379%0.788SS**  trans-115.2-176.6-158.244.4-35.1000114.5
401Q38.2Very low37.8Very low177 Ų177144.1 Ų144.183%0.82779%0.787SS**  trans75.9123156.6-64.3179.917.900119.2
402C24.6Very low38Very low130 Ų130143.1 Ų143.188%0.87879%0.793SS**  -162.3133.7127.5-92.20000111
403P61.9Low38.3Very low115 Ų115142.9 Ų142.975%0.74780%0.797SS**  trans-98.8-156.3159.240.4-29.8000109
404P65.8Low38.5Very low105 Ų105139.3 Ų139.368%0.68280%0.799SS**  cis-125.8-176.6-38.924.1-1.6000111.5
405L31.1Very low38.3Very low146 Ų146135.7 Ų135.776%0.76479%0.794SS**  158.9124.7125.9-83.5162.7000115.5
406K40.1Very low39.1Very low185 Ų185136.2 Ų136.280%0.80480%0.798SS**  trans14.3137.5143.1-61.7180178.9-178.80121.3
407C28.4Very low40.8Very low137 Ų137130.8 Ų130.893%0.92679%0.793SS**  172.3149.6109.350.50000111.6
408G30.3Very low40.6Very low86 Ų86129.8 Ų129.889%0.88780%0.795SS**  trans169.491.717600000116.5
409R36.4Very low40.8Very low211 Ų211130.8 Ų130.880%0.79680%0.797SS**  trans-89.5170.8-168.5-158.5-172-144.5-1575.7114.4
410R35.8Very low40.9Very low199 Ų199129 Ų12975%0.75179%0.791SS**  trans93.1156.3151.8-57-167.1-173.4-132.42.6117
411H40.1Very low39.9Very low171 Ų171130.7 Ų130.779%0.79280%0.799SS**  cis-176.9155.9-29.4-106.1-60.1000104.8
412G31.5Very low39.7Very low78 Ų78126.1 Ų126.180%0.80479%0.792SS**  trans165.7103.2160.100000114.4
413A36.3Very low40.2Very low96 Ų96126.6 Ų126.679%0.79379%0.791SS**  trans-100.4168.5171.900000110.3
414V34.8Very low39Very low142 Ų142130.2 Ų130.286%0.86180%0.795SS**  161.4132.5127.2162.80000110.4
415S35.8Very low38.7Very low105 Ų105130.6 Ų130.673%0.73480%0.797SS**  trans-72.9-159.2175.6-36.60000111.6
416P52.8Low38.8Very low122 Ų122127.8 Ų127.879%0.79280%0.795SS**  cis-147-168.417.942.2-17.1000116.2
417P69.5Low38.7Very low122 Ų122126.9 Ų126.979%0.79280%0.799SS**  trans-117-177.6-167.342.5-29.5000114.7
418A35.9Very low39.6Very low99 Ų99128.8 Ų128.882%0.81880%0.796SS**  trans166.9167.7153.200000109.5
419A35.5Very low40.7Very low90 Ų90130.8 Ų130.874%0.74479%0.793SS**  cis-178.5159.4-37.300000106
420A36.2Very low40.7Very low96 Ų96132.1 Ų132.179%0.79380%0.798SS**  trans72149.315400000119.4
421V36Very low40.6Very low132 Ų132131.8 Ų131.880%0.881%0.807SS**  cis-173.3149.81.6131.40000108.6
422A34.4Very low40.5Very low82 Ų82130.2 Ų130.268%0.67881%0.81SS**  trans55.2151.9152.900000120.6
423T35.6Very low40.9Very low139 Ų139131 Ų13185%0.85381%0.809SS**  cis-159.7147.727.2-27.20000110.8
424K37.1Very low41.5Very low191 Ų191132.7 Ų132.783%0.8381%0.812SS**  trans-78.3-171.3168.5-92.3-175.3175.2-179.50111.4
425P58.6Low41.6Very low113 Ų113131.2 Ų131.273%0.73481%0.808SS**  -136.9-158-53.941.4-22.9000111.8
426A34.2Very low41.7Very low87 Ų87138.1 Ų138.172%0.71982%0.818SS**  trans94.2148.6159.800000115.6
427L37.8Very low41.1Very low167 Ų167141.2 Ų141.287%0.87482%0.822SS**  cis-165.2150.318.5-123.4142000108
428M47.7Very low39.4Very low177 Ų177139.2 Ų139.287%0.87282%0.823SS**PPolyproline II helixtrans-81.2151.9166.2-70.7-129.516300111.3
429P52.2Low39.6Very low127 Ų127140.7 Ų140.783%0.82582%0.822SS**PPolyproline II helixtrans-100.8131.4165.422.2-6.4000112.9
430R36.3Very low39.6Very low240 Ų240140.8 Ų140.891%0.90682%0.822SS**PPolyproline II helixtrans-75.6146.6162.8-88.1-179.9164.9-156-3.1110.4
431M34.8Very low39.7Very low191 Ų191144 Ų14494%0.94183%0.826SS**PPolyproline II helixtrans-83.3138.9166-58.4-145.793.400111.1
432T37.3Very low39.9Very low138 Ų138143.9 Ų143.985%0.84783%0.825SS**  trans-128.5133.3169.1400000109.3
433A39.9Very low40.1Very low96 Ų96145.5 Ų145.579%0.79383%0.83SS**PPolyproline II helixtrans-75.8157.9175.600000112.3
434P50.3Low40.3Very low131 Ų131150.6 Ų150.685%0.85183%0.833SS**PPolyproline II helixtrans-91.4134.2173.932.7-28.4000112.6
435S36Very low40.6Very low110 Ų110147.1 Ų147.177%0.76983%0.833SS**PPolyproline II helixtrans-79.1143.7171.848.90000112.1
436R37.1Very low40.1Very low250 Ų250157.1 Ų157.194%0.94386%0.856SS**PPolyproline II helixtrans-66125.7169-75.4172.8158.8-176.5-6.8110.9
437E40.9Very low40.4Very low188 Ų188160.6 Ų160.688%0.87986%0.863SS**PPolyproline II helixtrans-93.7125.7161-77.1-175.2154.600109.7
438G34.8Very low40.5Very low79 Ų79160.3 Ų160.381%0.81486%0.862SS**PPolyproline II helixtrans-88.5131169.800000110.2
439V39.7Very low40.1Very low130 Ų130159.3 Ų159.379%0.78886%0.862SS**  trans-98.5110.5171.4178.20000108L441V439-L441 HydrophobicContact CG1-CD1 4.35Å
440A35.3Very low39.4Very low92 Ų92161.2 Ų161.276%0.7686%0.864SS**PPolyproline II helixtrans-81.6119.216700000109
441L38.7Very low39.6Very low165 Ų165156.3 Ų156.386%0.86486%0.862SS**PPolyproline II helixtrans-87.9122.4169.8-11897.9000109.7V439V439-L441 HydrophobicContact CG1-CD1 4.35Å
442V40Very low39.9Very low128 Ų128154 Ų15478%0.77686%0.856SS**PPolyproline II helixtrans-80.6129.6177.7168.90000110.2
443C37.2Very low40.1Very low117 Ų117155.1 Ų155.179%0.79186%0.857SS**PPolyproline II helixtrans-55.5133166.6-71.10000112
444R41Very low40.1Very low245 Ų245159.7 Ų159.793%0.92586%0.862SS**  trans-131.6108.6154.9-89.2-171.7173.3-176.3-0.5109.9
445S42.4Very low39.2Very low118 Ų118162.1 Ų162.183%0.82586%0.863SS**  trans-71.9131.5161.9-46.80000109.8
446R47.8Very low39.5Very low323 Ų323166.8 Ų166.8100%1.21987%0.871SS**  trans-146.60146.3-92.7-163177.8-157.4-1.3108.9

Retrieved 446 of 446 residues in 85.8 ms (Link to these results)

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