A0A096NSZ4_PAPAN Loading...

E3 ubiquitin-protein ligase TRIM65

AlphaFold DB , UniProt , Accession A0A096NSZ4, Species PAPAN (Papio anubis, Olive baboon), Gene TRIM65, Length 517 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
1M49.6Very low70Confident191 Ų191101.4 Ų101.494%0.94154%0.54SS*.  0-57.10-85.1-174.1-112.600112.8A3 Q4 L5M1-A3 PolarHBondContact O-N 3.05Å; M1-Q4 PolarHBondContact O-N 3.47Å; M1-L5 PolarHBondContact O-N 3.18Å
2A55.4Low72Confident84 Ų8492.9 Ų92.969%0.69450%0.495SS*.Hα-helixtrans-63.8-38.7-177.800000115.2L6A2-L6 PolarHBondContact O-N 3.13Å; A2-L6 VanDerWaalsContact O-N 3.16Å
3A59.4Low73.4Confident67 Ų6789.7 Ų89.755%0.55449%0.49SS*.Hα-helixtrans-67.1-41.117800000113.1M1 L6 E7M1-A3 PolarHBondContact O-N 3.05Å; A3-L6 PolarHBondContact O-N 3.02Å; A3-E7 PolarHBondContact O-N 3.49Å
4Q57.7Low74.7Confident129 Ų12987.1 Ų87.160%0.60347%0.474SS*.Hα-helixtrans-65.5-39.7176.1-78.6168.9-32.100112.4M1 L6 E7 E8M1-Q4 PolarHBondContact O-N 3.47Å; Q4-L6 VanDerWaalsContact C-N 3.26Å; Q4-L6 PolarHBondContact O-N 3.46Å; Q4-E7 PolarHBondContact O-N 3.08Å; Q4-E8 WeakPolarHBondContact O-CG 3.47Å; Q4-E8 PolarHBondContact O-N 3.5Å; Q4-E8 VanDerWaalsContact O-N 3.12Å
5L63.5Low75.9Confident103 Ų10385.7 Ų85.754%0.53947%0.472SS..Hα-helixtrans-64.9-30174.4-80158.6000112.7M1 K9M1-L5 PolarHBondContact O-N 3.18Å; L5-K9 VanDerWaalsContact O-CG 3.29Å; L5-K9 WeakPolarHBondContact O-CG 3.18Å
6L71.6Confident76.7Confident89 Ų8988.9 Ų88.947%0.46649%0.488SS..Hα-helixtrans-76.8-41.5177-175.463.1000111.5A2 A3 Q4 E8 K9 L10 V73A2-L6 PolarHBondContact O-N 3.13Å; A2-L6 VanDerWaalsContact O-N 3.16Å; A3-L6 PolarHBondContact O-N 3.02Å; Q4-L6 VanDerWaalsContact C-N 3.26Å; Q4-L6 PolarHBondContact O-N 3.46Å; L6-E8 PolarHBondContact O-N 3.34Å; L6-K9 PolarHBondContact O-N 3.16Å; L6-L10 HydrophobicContact CD1-CD1 4.31Å; L6-L10 HydrophobicContact CG-CD1 4.09Å; L6-L10 WeakPolarHBondContact O-CG 3.46Å; L6-L10 PolarHBondContact O-N 3.1Å; L6-V73 HydrophobicContact CD2-CG2 4.22Å
7E75.5Confident77.3Confident93 Ų9385.5 Ų85.544%0.43548%0.477SS..Hα-helixtrans-60.8-43.2175.7-75.7175.5-17400111.7A3 Q4 K9 L10 T11 L18 V73A3-E7 PolarHBondContact O-N 3.49Å; Q4-E7 PolarHBondContact O-N 3.08Å; E7-K9 VanDerWaalsContact C-N 3.27Å; E7-K9 PolarHBondContact O-N 3.35Å; E7-L10 CarbonylContact O-C 3.57Å; E7-L10 PolarHBondContact O-N 3.44Å; E7-T11 WeakPolarHBondContact O-CG2 3.28Å; E7-T11 PolarHBondContact O-N 3.05Å; E7-L18 HydrophobicContact CB-CD2 4.4Å; E7-V73 HydrophobicContact CG-CG1 4.36Å
8E75.3Confident77.9Confident127 Ų12783.3 Ų83.359%0.59346%0.464SS*.Hα-helixtrans-57.4-38.3175.4-76.4176.9-176.100112.6Q4 L6 L10 T11Q4-E8 WeakPolarHBondContact O-CG 3.47Å; Q4-E8 PolarHBondContact O-N 3.5Å; Q4-E8 VanDerWaalsContact O-N 3.12Å; L6-E8 PolarHBondContact O-N 3.34Å; E8-L10 PolarHBondContact O-N 3.39Å; E8-T11 PolarHBondContact O-OG1 3.27Å
9K82.1Confident78.7Confident165 Ų16580 Ų8072%0.71744%0.444SS*.THydrogen-bonded Turntrans-76.1-8.3178.4-64-65.2178.9-169.70113.8L5 L6 E7L5-K9 VanDerWaalsContact O-CG 3.29Å; L5-K9 WeakPolarHBondContact O-CG 3.18Å; L6-K9 PolarHBondContact O-N 3.16Å; E7-K9 VanDerWaalsContact C-N 3.27Å; E7-K9 PolarHBondContact O-N 3.35Å
10L89.4Confident79.3Confident12 Ų1283.5 Ų83.56%0.06346%0.457CS..THydrogen-bonded Turntrans-112.818.1-179.7-63.8175.1000112.4L6 E7 E8 L18 Y19 L66 V69 L70 V73L6-L10 HydrophobicContact CD1-CD1 4.31Å; L6-L10 HydrophobicContact CG-CD1 4.09Å; L6-L10 WeakPolarHBondContact O-CG 3.46Å; L6-L10 PolarHBondContact O-N 3.1Å; E7-L10 CarbonylContact O-C 3.57Å; E7-L10 PolarHBondContact O-N 3.44Å; E8-L10 PolarHBondContact O-N 3.39Å; L10-L18 HydrophobicContact CB-CD2 3.81Å; L10-L18 WeakPolarHBondContact O-CA 3.3Å; L10-Y19 VanDerWaalsContact C-CD2 3.49Å; L10-Y19 WeakPolarHBondContact O-CD2 3.2Å; L10-Y19 PolarHBondContact O-N 3.02Å; L10-L66 HydrophobicContact CD2-CD1 3.5Å; L10-V69 HydrophobicContact CD1-CG1 3.97Å; L10-V69 HydrophobicContact CD2-CG1 4.25Å; L10-L70 HydrophobicContact CB-CD2 4.19Å; L10-V73 HydrophobicContact CD1-CG2 3.8Å
11T90.9Very high79.8Confident55 Ų5583.8 Ų83.834%0.33746%0.458SS..BIsolated β-bridgetrans-92.3143.8176.457.30000112.5E7 E8 G17 Y19E7-T11 WeakPolarHBondContact O-CG2 3.28Å; E7-T11 PolarHBondContact O-N 3.05Å; E8-T11 PolarHBondContact O-OG1 3.27Å; T11-G17 CarbonylContact C-O 3.54Å; T11-G17 VanDerWaalsContact CA-O 3.29Å; T11-G17 WeakPolarHBondContact CA-O 3.29Å; T11-Y19 PolarHBondContact O-OH 3.15Å
12C93.2Very high82Confident0 Ų074.7 Ų74.70%041%0.413CS..  trans-84.2128.8173179.50000110.9I14 L16 G17 Y19 C32C12-I14 PolarHBondContact O-N 2.92Å; C12-I14 VanDerWaalsContact O-N 3.09Å; C12-L16 WeakPolarHBondContact O-CA 3.24Å; C12-L16 PolarHBondContact O-N 3.26Å; C12-G17 PolarHBondContact N-O 3.19Å; C12-Y19 VanDerWaalsContact CA-CE1 3.41Å; C12-Y19 HydrophobicContact CB-CD1 3.62Å; C12-Y19 HydrophobicContact CB-CE1 3.61Å; C12-C32 VanDerWaalsContact CB-SG 3.58Å; C12-C32 PolarHBondContact SG-N 2.84Å
13A90.6Very high83.9Confident51 Ų5171 Ų7142%0.42138%0.382SS..THydrogen-bonded Turntrans-66.2-11.5179.800000115F31 E49A13-F31 HydrophobicContact CB-CE1 4.26Å; A13-E49 HydrophobicContact CB-CG 4.3Å; A13-E49 WeakPolarHBondContact CB-OE1 3.45Å
14I91.1Very high85.6Confident53 Ų5370.2 Ų70.227%0.27237%0.371SS..THydrogen-bonded Turntrans-91.8-55.2179-57.4169.8000111.3C12 F31 C35 W39 P48C12-I14 PolarHBondContact O-N 2.92Å; C12-I14 VanDerWaalsContact O-N 3.09Å; I14-F31 HydrophobicContact CD1-CB 4.35Å; I14-F31 HydrophobicContact CD1-CD1 3.64Å; I14-F31 HydrophobicContact CD1-CE1 4.31Å; I14-F31 HydrophobicContact CD1-CG 4.16Å; I14-F31 HydrophobicContact CG1-CD1 3.82Å; I14-F31 HydrophobicContact CG1-CE1 4.22Å; I14-C35 HydrophobicContact CB-CB 3.84Å; I14-C35 HydrophobicContact CD1-CB 3.68Å; I14-C35 WeakPolarHBondContact CD1-O 3.44Å; I14-C35 HydrophobicContact CG1-CB 4.36Å; I14-C35 HydrophobicContact CG2-CB 3.84Å; I14-W39 HydrophobicContact CD1-CB 4.4Å; I14-P48 HydrophobicContact CD1-CG 3.95Å; I14-P48 HydrophobicContact CG1-CG 4.33Å
15C92.7Very high87.2Confident66 Ų6664.4 Ų64.445%0.44634%0.343SS..THydrogen-bonded Turntrans-91.8-9.1-178.567.40000113.7G17C15-G17 PolarHBondContact O-N 3.16Å
16L88.4Confident88.5Confident138 Ų13863.7 Ų63.772%0.72335%0.345SS*.SBendtrans59.39.1-176.8-51.5178.2000114.8C12C12-L16 WeakPolarHBondContact O-CA 3.24Å; C12-L16 PolarHBondContact O-N 3.26Å
17G88.1Confident89.5Confident30 Ų3061 Ų6131%0.30933%0.333SS..SBendtrans-97.5172.6172.100000112.1T11 C12 C15T11-G17 CarbonylContact C-O 3.54Å; T11-G17 VanDerWaalsContact CA-O 3.29Å; T11-G17 WeakPolarHBondContact CA-O 3.29Å; C12-G17 PolarHBondContact N-O 3.19Å; C15-G17 PolarHBondContact O-N 3.16Å
18L88.4Confident90.2Very high46 Ų4658.7 Ų58.724%0.24133%0.334CS..BIsolated β-bridgetrans-56.2144.2169.1-70175.1000110.5E7 L10 Q20 L70E7-L18 HydrophobicContact CB-CD2 4.4Å; L10-L18 HydrophobicContact CB-CD2 3.81Å; L10-L18 WeakPolarHBondContact O-CA 3.3Å; L18-Q20 PolarHBondContact O-N 3.44Å; L18-L70 HydrophobicContact CB-CD2 4.37Å
19Y92.8Very high91.1Very high21 Ų2155.4 Ų55.48%0.08232%0.319CS..PPolyproline II helixtrans-54.7134.1179.2-69.3-63.9000112.1L10 T11 C12 P22 N30 L66 L70L10-Y19 VanDerWaalsContact C-CD2 3.49Å; L10-Y19 WeakPolarHBondContact O-CD2 3.2Å; L10-Y19 PolarHBondContact O-N 3.02Å; T11-Y19 PolarHBondContact O-OH 3.15Å; C12-Y19 VanDerWaalsContact CA-CE1 3.41Å; C12-Y19 HydrophobicContact CB-CD1 3.62Å; C12-Y19 HydrophobicContact CB-CE1 3.61Å; Y19-P22 HydrophobicContact CG-CB 4.21Å; Y19-N30 HydrophobicContact CE1-CB 4.02Å; Y19-N30 VanDerWaalsContact CE1-O 3.24Å; Y19-N30 WeakPolarHBondContact CE1-O 3.44Å; Y19-N30 HydrophobicContact CE2-CB 4.35Å; Y19-N30 PolarHBondContact OH-O 2.99Å; Y19-L66 HydrophobicContact CD2-CD2 3.86Å; Y19-L66 HydrophobicContact CD2-CG 4.4Å; Y19-L66 HydrophobicContact CE2-CD2 4.07Å; Y19-L66 HydrophobicContact CG-CD2 4.41Å; Y19-L70 WeakPolarHBondContact O-CD1 3.25Å
20Q90Very high91.7Very high149 Ų14949.4 Ų49.470%0.69630%0.295SS*.SBendtrans-117.5123.5168.3-68-178.714.300108.1L18 C32L18-Q20 PolarHBondContact O-N 3.44Å; Q20-C32 PolarHBondContact N-SG 2.86Å; Q20-C32 WeakPolarHBondContact O-CA 3.38Å; Q20-C32 VanDerWaalsContact O-CB 3.31Å; Q20-C32 WeakPolarHBondContact O-CB 3.18Å
21D90.9Very high92Very high90 Ų9048.9 Ų48.948%0.48129%0.292SS..SBendtrans44.464-171.2-64.4-36.2000112G33 R62D21-G33 PolarHBondContact O-N 2.93Å; D21-R62 IonicContact OD1-CZ 3.34Å; D21-R62 IonicContact OD1-NE 2.79Å; D21-R62 IonicContact OD1-NH1 3.18Å; D21-R62 PolarHBondContact OD1-NH1 3.32Å; D21-R62 IonicContact OD1-NH2 2.96Å; D21-R62 PolarHBondContact OD1-NH2 3.46Å
22P95.1Very high92.3Very high1 Ų146.5 Ų46.51%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-59.2143.4-173.922.4-32.9000111.7Y19 F31 R62 N63 L66 L70Y19-P22 HydrophobicContact CG-CB 4.21Å; P22-F31 CarbonylContact C-O 3.57Å; P22-F31 WeakPolarHBondContact CA-O 3.48Å; P22-R62 CarbonylContact O-C 3.54Å; P22-R62 WeakPolarHBondContact O-CA 3.28Å; P22-N63 HydrophobicContact CB-CB 4.45Å; P22-N63 PolarHBondContact O-N 2.99Å; P22-L66 HydrophobicContact CB-CB 4.19Å; P22-L66 HydrophobicContact CB-CD2 3.61Å; P22-L66 HydrophobicContact CB-CG 3.96Å; P22-L66 HydrophobicContact CG-CB 3.84Å; P22-L66 HydrophobicContact CG-CD2 4.13Å; P22-L66 HydrophobicContact CG-CG 3.88Å; P22-L70 HydrophobicContact CG-CD1 3.75Å
23V94.9Very high92.3Very high5 Ų546.6 Ų46.63%0.0328%0.278CS..EExtended strand (participates in β ladder)trans-125.8148.1171.9-63.50000109.1N30 F31 I36 L60V23-N30 VanDerWaalsContact O-CA 3.3Å; V23-N30 WeakPolarHBondContact O-CA 3.45Å; V23-F31 WeakPolarHBondContact CG2-O 3.39Å; V23-F31 PolarHBondContact N-O 3.11Å; V23-F31 PolarHBondContact O-N 3.32Å; V23-I36 HydrophobicContact CG2-CG2 3.62Å; V23-L60 HydrophobicContact CB-CD1 3.83Å; V23-L60 HydrophobicContact CB-CD2 4.49Å; V23-L60 HydrophobicContact CB-CG 4.08Å; V23-L60 HydrophobicContact CG1-CD1 4.32Å; V23-L60 HydrophobicContact CG1-CD2 4.27Å; V23-L60 HydrophobicContact CG1-CG 4Å; V23-L60 HydrophobicContact CG2-CD1 3.85Å; V23-L60 HydrophobicContact CG2-CD2 4.17Å; V23-L60 HydrophobicContact CG2-CG 4.21Å
24T95.1Very high92.4Very high52 Ų5246.7 Ų46.732%0.31928%0.279SS..EExtended strand (participates in β ladder)trans-114.5124.8178.6-52.80000109.4N30 N63T24-N30 WeakPolarHBondContact CB-OD1 3.39Å; T24-N30 WeakPolarHBondContact CG2-OD1 3.44Å; T24-N30 PolarHBondContact OG1-OD1 3.46Å; T24-N63 PolarHBondContact OG1-ND2 2.85Å
25L92.6Very high92.6Very high6 Ų645.2 Ų45.23%0.03127%0.273CS..  trans-77.4159.8174.2-59.8-172.1000110.6C27 G28 H29 F31 I36 W40 C47 F54 L60L25-C27 PolarHBondContact O-N 3.21Å; L25-C27 VanDerWaalsContact O-N 3.09Å; L25-G28 WeakPolarHBondContact O-CA 3.38Å; L25-G28 PolarHBondContact O-N 2.68Å; L25-H29 PolarHBondContact N-O 3.32Å; L25-F31 HydrophobicContact CD1-CD2 4.05Å; L25-F31 HydrophobicContact CD1-CE2 3.76Å; L25-F31 HydrophobicContact CG-CD2 4.21Å; L25-F31 HydrophobicContact CG-CE2 4.25Å; L25-I36 HydrophobicContact CD1-CD1 4.15Å; L25-I36 HydrophobicContact CD1-CG1 4.47Å; L25-I36 HydrophobicContact CD2-CG1 4.28Å; L25-W40 HydrophobicContact CD2-CH2 4.03Å; L25-W40 HydrophobicContact CD2-CZ2 3.7Å; L25-C47 HydrophobicContact CD1-CB 3.78Å; L25-F54 HydrophobicContact CD2-CD2 3.93Å; L25-F54 HydrophobicContact CD2-CE2 4Å; L25-L60 HydrophobicContact CD2-CD1 3.77Å
26P90.3Very high92.7Very high88 Ų8842 Ų4257%0.57125%0.252SS*.THydrogen-bonded Turntrans-54.9-28.7177.1-28.235.9000114.2G28 F54 P55P26-G28 PolarHBondContact O-N 3.43Å; P26-F54 HydrophobicContact CG-CD2 4.21Å; P26-F54 HydrophobicContact CG-CE2 4.07Å; P26-P55 HydrophobicContact CG-CG 4.37Å
27C92.2Very high93Very high33 Ų3341.3 Ų41.322%0.22324%0.24CC..THydrogen-bonded Turntrans-72.4-4.7174.570.20000114.2L25 H29 C47 C50 E52L25-C27 PolarHBondContact O-N 3.21Å; L25-C27 VanDerWaalsContact O-N 3.09Å; C27-H29 PolarHBondContact SG-ND1 2.85Å; C27-C47 VanDerWaalsContact SG-SG 3.64Å; C27-C50 VanDerWaalsContact SG-SG 3.64Å; C27-E52 HydrophobicContact CB-CB 4.21Å; C27-E52 WeakPolarHBondContact CB-OE2 3.29Å
28G90.6Very high93.2Very high44 Ų4443.6 Ų43.645%0.45425%0.245SC..SBendtrans89.2-7178.600000116.4L25 P26 N30L25-G28 WeakPolarHBondContact O-CA 3.38Å; L25-G28 PolarHBondContact O-N 2.68Å; P26-G28 PolarHBondContact O-N 3.43Å; G28-N30 PolarHBondContact O-ND2 3.15Å
29H94.6Very high93.4Very high58 Ų5845.3 Ų45.327%0.26925%0.248SC..  trans-76.5148.3176.9-65.4102000111.6L25 C27 F31 E49L25-H29 PolarHBondContact N-O 3.32Å; C27-H29 PolarHBondContact SG-ND1 2.85Å; H29-F31 HydrophobicContact CB-CE2 3.72Å; H29-F31 HydrophobicContact CB-CZ 3.98Å; H29-E49 IonicContact CD2-OE2 3.22Å; H29-E49 PolarHBondContact CD2-OE2 2.89Å; H29-E49 VanDerWaalsContact CD2-OE2 3.28Å; H29-E49 IonicContact NE2-OE2 3.93Å
30N94.6Very high93.4Very high40 Ų4045.8 Ų45.821%0.21425%0.25CC..EExtended strand (participates in β ladder)trans-117.6140.4-172.5-56.8-81.7000110.8Y19 V23 T24 G28 L66Y19-N30 HydrophobicContact CE1-CB 4.02Å; Y19-N30 VanDerWaalsContact CE1-O 3.24Å; Y19-N30 WeakPolarHBondContact CE1-O 3.44Å; Y19-N30 HydrophobicContact CE2-CB 4.35Å; Y19-N30 PolarHBondContact OH-O 2.99Å; V23-N30 VanDerWaalsContact O-CA 3.3Å; V23-N30 WeakPolarHBondContact O-CA 3.45Å; T24-N30 WeakPolarHBondContact CB-OD1 3.39Å; T24-N30 WeakPolarHBondContact CG2-OD1 3.44Å; T24-N30 PolarHBondContact OG1-OD1 3.46Å; G28-N30 PolarHBondContact O-ND2 3.15Å; N30-L66 HydrophobicContact CB-CD2 4.04Å
31F95.6Very high93.4Very high0 Ų045.2 Ų45.20%025%0.251CS..EExtended strand (participates in β ladder)trans-143.3161.5178.8-58-78.8000110.1A13 I14 P22 V23 L25 H29 I36 P48 E49A13-F31 HydrophobicContact CB-CE1 4.26Å; I14-F31 HydrophobicContact CD1-CB 4.35Å; I14-F31 HydrophobicContact CD1-CD1 3.64Å; I14-F31 HydrophobicContact CD1-CE1 4.31Å; I14-F31 HydrophobicContact CD1-CG 4.16Å; I14-F31 HydrophobicContact CG1-CD1 3.82Å; I14-F31 HydrophobicContact CG1-CE1 4.22Å; P22-F31 CarbonylContact C-O 3.57Å; P22-F31 WeakPolarHBondContact CA-O 3.48Å; V23-F31 WeakPolarHBondContact CG2-O 3.39Å; V23-F31 PolarHBondContact N-O 3.11Å; V23-F31 PolarHBondContact O-N 3.32Å; L25-F31 HydrophobicContact CD1-CD2 4.05Å; L25-F31 HydrophobicContact CD1-CE2 3.76Å; L25-F31 HydrophobicContact CG-CD2 4.21Å; L25-F31 HydrophobicContact CG-CE2 4.25Å; H29-F31 HydrophobicContact CB-CE2 3.72Å; H29-F31 HydrophobicContact CB-CZ 3.98Å; F31-I36 HydrophobicContact CB-CB 3.95Å; F31-I36 HydrophobicContact CD2-CD1 4.03Å; F31-I36 HydrophobicContact CD2-CG1 4.4Å; F31-I36 HydrophobicContact CE2-CD1 4.45Å; F31-I36 HydrophobicContact CG-CB 4.42Å; F31-I36 HydrophobicContact CG-CD1 4.34Å; F31-P48 HydrophobicContact CD1-CG 4.38Å; F31-P48 HydrophobicContact CE1-CB 4.1Å; F31-P48 HydrophobicContact CE1-CG 3.88Å; F31-P48 HydrophobicContact CE2-CG 4.33Å; F31-P48 HydrophobicContact CZ-CB 4.15Å; F31-P48 HydrophobicContact CZ-CG 3.87Å; F31-E49 HydrophobicContact CE1-CG 4.2Å; F31-E49 HydrophobicContact CZ-CB 4.45Å; F31-E49 HydrophobicContact CZ-CG 3.97Å
32C96.1Very high93.1Very high6 Ų649.1 Ų49.14%0.04126%0.259CS..EExtended strand (participates in β ladder)trans-63.8138.9164.1-55.80000109C12 Q20 A34 C35 I36C12-C32 VanDerWaalsContact CB-SG 3.58Å; C12-C32 PolarHBondContact SG-N 2.84Å; Q20-C32 PolarHBondContact N-SG 2.86Å; Q20-C32 WeakPolarHBondContact O-CA 3.38Å; Q20-C32 VanDerWaalsContact O-CB 3.31Å; Q20-C32 WeakPolarHBondContact O-CB 3.18Å; C32-A34 PolarHBondContact O-N 3.39Å; C32-C35 HydrophobicContact CB-CB 3.97Å; C32-C35 PolarHBondContact O-N 3.32Å; C32-C35 VanDerWaalsContact O-N 3.09Å; C32-I36 PolarHBondContact O-N 3.38Å; C32-I36 VanDerWaalsContact O-N 3.14Å
33G93.3Very high92.6Very high1 Ų152.5 Ų52.51%0.0128%0.282CS..Hα-helixtrans-55.4-40.3-178.500000113.1D21 I36 R37D21-G33 PolarHBondContact O-N 2.93Å; G33-I36 WeakPolarHBondContact O-CG2 3.41Å; G33-R37 VanDerWaalsContact C-NH2 3.27Å; G33-R37 WeakPolarHBondContact O-CG 3.25Å; G33-R37 PolarHBondContact O-N 2.56Å; G33-R37 PolarHBondContact O-NE 3.03Å; G33-R37 PolarHBondContact O-NH1 3.46Å; G33-R37 PolarHBondContact O-NH2 3.24Å
34A93.9Very high92.1Very high54 Ų5454 Ų5445%0.44630%0.299SS..Hα-helixtrans-66.7-47.5176.100000112C32 I36 R37 D38C32-A34 PolarHBondContact O-N 3.39Å; A34-I36 VanDerWaalsContact C-N 3.34Å; A34-I36 PolarHBondContact O-N 3.3Å; A34-R37 PolarHBondContact O-N 2.8Å; A34-R37 VanDerWaalsContact O-N 3.17Å; A34-D38 PolarHBondContact O-N 3.05Å
35C95.6Very high92Very high21 Ų2157.3 Ų57.314%0.14231%0.309CS..Hα-helixtrans-59.8-40.4-176.5-64.40000113.4I14 C32 W39I14-C35 HydrophobicContact CB-CB 3.84Å; I14-C35 HydrophobicContact CD1-CB 3.68Å; I14-C35 WeakPolarHBondContact CD1-O 3.44Å; I14-C35 HydrophobicContact CG1-CB 4.36Å; I14-C35 HydrophobicContact CG2-CB 3.84Å; C32-C35 HydrophobicContact CB-CB 3.97Å; C32-C35 PolarHBondContact O-N 3.32Å; C32-C35 VanDerWaalsContact O-N 3.09Å; C35-W39 WeakPolarHBondContact O-CB 3.38Å; C35-W39 PolarHBondContact O-N 3.44Å
36I94.8Very high91.9Very high0 Ų058.2 Ų58.20%032%0.317CS..Hα-helixtrans-74-32179.5-168.761000112.6V23 L25 F31 C32 G33 A34 W39 W40 P48 L60V23-I36 HydrophobicContact CG2-CG2 3.62Å; L25-I36 HydrophobicContact CD1-CD1 4.15Å; L25-I36 HydrophobicContact CD1-CG1 4.47Å; L25-I36 HydrophobicContact CD2-CG1 4.28Å; F31-I36 HydrophobicContact CB-CB 3.95Å; F31-I36 HydrophobicContact CD2-CD1 4.03Å; F31-I36 HydrophobicContact CD2-CG1 4.4Å; F31-I36 HydrophobicContact CE2-CD1 4.45Å; F31-I36 HydrophobicContact CG-CB 4.42Å; F31-I36 HydrophobicContact CG-CD1 4.34Å; C32-I36 PolarHBondContact O-N 3.38Å; C32-I36 VanDerWaalsContact O-N 3.14Å; G33-I36 WeakPolarHBondContact O-CG2 3.41Å; A34-I36 VanDerWaalsContact C-N 3.34Å; A34-I36 PolarHBondContact O-N 3.3Å; I36-W39 PolarHBondContact O-N 2.89Å; I36-W40 HydrophobicContact CG1-CD2 4.2Å; I36-W40 HydrophobicContact CG1-CZ2 4Å; I36-W40 PolarHBondContact O-N 2.94Å; I36-P48 VanDerWaalsContact CD1-CD 3.42Å; I36-P48 HydrophobicContact CD1-CG 3.64Å; I36-L60 HydrophobicContact CG2-CD2 3.58Å
37R93.3Very high92.1Very high123 Ų12354.1 Ų54.146%0.46429%0.291SS..Hα-helixtrans-65.6-48.2174.2-74.8-174.8-71.7-93.85.5110.6G33 A34 W39 W40 D41 L60G33-R37 VanDerWaalsContact C-NH2 3.27Å; G33-R37 WeakPolarHBondContact O-CG 3.25Å; G33-R37 PolarHBondContact O-N 2.56Å; G33-R37 PolarHBondContact O-NE 3.03Å; G33-R37 PolarHBondContact O-NH1 3.46Å; G33-R37 PolarHBondContact O-NH2 3.24Å; A34-R37 PolarHBondContact O-N 2.8Å; A34-R37 VanDerWaalsContact O-N 3.17Å; R37-W39 PolarHBondContact O-N 3.48Å; R37-W40 PolarHBondContact O-N 3.12Å; R37-W40 VanDerWaalsContact O-N 3.11Å; R37-D41 PolarHBondContact O-N 2.87Å; R37-L60 HydrophobicContact CG-CD2 4.19Å
38D93.4Very high92.1Very high78 Ų7854.1 Ų54.142%0.41729%0.29SS..Hα-helixtrans-60.1-34.4176.2-68.8-3.6000112.6A34 R42A34-D38 PolarHBondContact O-N 3.05Å; D38-R42 VanDerWaalsContact O-CZ 3.22Å; D38-R42 PolarHBondContact O-NH1 3.39Å
39W91.3Very high92.2Very high82 Ų8256.6 Ų56.631%0.31129%0.29SS..Hα-helixtrans-67.9-47.5173.9175.3-93.7000111.8I14 C35 I36 R37 D41 R42 C43 P48I14-W39 HydrophobicContact CD1-CB 4.4Å; C35-W39 WeakPolarHBondContact O-CB 3.38Å; C35-W39 PolarHBondContact O-N 3.44Å; I36-W39 PolarHBondContact O-N 2.89Å; R37-W39 PolarHBondContact O-N 3.48Å; W39-D41 PolarHBondContact O-N 3Å; W39-R42 PolarHBondContact O-N 3.1Å; W39-R42 VanDerWaalsContact O-N 3.08Å; W39-C43 HydrophobicContact CD2-CB 3.94Å; W39-C43 HydrophobicContact CE3-CB 4.41Å; W39-C43 HydrophobicContact CG-CB 4.45Å; W39-C43 HydrophobicContact CH2-CB 4.19Å; W39-C43 HydrophobicContact CZ2-CB 3.68Å; W39-C43 WeakPolarHBondContact O-CB 3.43Å; W39-C43 PolarHBondContact O-N 3.38Å; W39-P48 HydrophobicContact CD2-CB 4.34Å; W39-P48 HydrophobicContact CD2-CG 4.08Å; W39-P48 HydrophobicContact CG-CG 3.91Å; W39-P48 HydrophobicContact CZ2-CB 4.39Å
40W93.7Very high92.1Very high30 Ų3056.5 Ų56.511%0.11430%0.295CS..Hα-helixtrans-61-33.3178.8-73.6-14.5000113.1L25 I36 R37 R42 G44 K45 A46 F54 L60L25-W40 HydrophobicContact CD2-CH2 4.03Å; L25-W40 HydrophobicContact CD2-CZ2 3.7Å; I36-W40 HydrophobicContact CG1-CD2 4.2Å; I36-W40 HydrophobicContact CG1-CZ2 4Å; I36-W40 PolarHBondContact O-N 2.94Å; R37-W40 PolarHBondContact O-N 3.12Å; R37-W40 VanDerWaalsContact O-N 3.11Å; W40-R42 VanDerWaalsContact C-N 3.26Å; W40-R42 PolarHBondContact O-N 2.92Å; W40-G44 VanDerWaalsContact CD1-O 3.22Å; W40-G44 WeakPolarHBondContact O-CA 3.12Å; W40-G44 PolarHBondContact O-N 3.3Å; W40-K45 HydrophobicContact CB-CG 4.28Å; W40-K45 VanDerWaalsContact CD1-CA 3.48Å; W40-K45 HydrophobicContact CD2-CG 4.23Å; W40-K45 HydrophobicContact CG-CB 4.48Å; W40-K45 HydrophobicContact CG-CG 4.13Å; W40-A46 PolarHBondContact NE1-O 3.19Å; W40-F54 HydrophobicContact CH2-CB 4.31Å; W40-F54 AromaticContact CH2-CD1 3.84Å; W40-F54 HydrophobicContact CH2-CD1 3.84Å; W40-F54 AromaticContact CH2-CD2 3.59Å; W40-F54 HydrophobicContact CH2-CD2 3.59Å; W40-F54 AromaticContact CH2-CE1 3.96Å; W40-F54 HydrophobicContact CH2-CE1 3.96Å; W40-F54 AromaticContact CH2-CE2 3.72Å; W40-F54 HydrophobicContact CH2-CE2 3.72Å; W40-F54 AromaticContact CH2-CG 3.64Å; W40-F54 HydrophobicContact CH2-CG 3.64Å; W40-F54 AromaticContact CH2-CZ 3.9Å; W40-F54 HydrophobicContact CH2-CZ 3.9Å; W40-F54 HydrophobicContact CZ2-CB 3.76Å; W40-F54 HydrophobicContact CZ2-CD1 4.17Å; W40-F54 AromaticContact CZ2-CD2 3.54Å; W40-F54 HydrophobicContact CZ2-CD2 3.54Å; W40-F54 HydrophobicContact CZ2-CE2 4.12Å; W40-F54 AromaticContact CZ2-CG 3.55Å; W40-F54 HydrophobicContact CZ2-CG 3.55Å; W40-L60 HydrophobicContact CH2-CB 4.39Å; W40-L60 HydrophobicContact CH2-CD1 3.87Å; W40-L60 HydrophobicContact CH2-CD2 4.31Å; W40-L60 HydrophobicContact CH2-CG 4.42Å; W40-L60 HydrophobicContact CZ3-CB 4.2Å; W40-L60 HydrophobicContact CZ3-CD1 4.32Å; W40-L60 HydrophobicContact CZ3-CD2 3.94Å; W40-L60 HydrophobicContact CZ3-CG 4.39Å
41D89.8Confident92Very high137 Ų13764.7 Ų64.773%0.73332%0.323SS*.Hα-helixtrans-67-25.8176.3-69.9-18.4000113.1R37 W39R37-D41 PolarHBondContact O-N 2.87Å; W39-D41 PolarHBondContact O-N 3Å
42R85.2Confident91.9Very high172 Ų17269.5 Ų69.565%0.64935%0.345SS*.Hα-helixtrans-104.6-35.4-176.9-65.8-170.9-65.4-94.30.1114.3D38 W39 W40D38-R42 VanDerWaalsContact O-CZ 3.22Å; D38-R42 PolarHBondContact O-NH1 3.39Å; W39-R42 PolarHBondContact O-N 3.1Å; W39-R42 VanDerWaalsContact O-N 3.08Å; W40-R42 VanDerWaalsContact C-N 3.26Å; W40-R42 PolarHBondContact O-N 2.92Å
43C83.8Confident91.6Very high72 Ų7274 Ų7449%0.48638%0.375SS..Hα-helixtrans-121.53.9-165.8-61.20000113.2W39W39-C43 HydrophobicContact CD2-CB 3.94Å; W39-C43 HydrophobicContact CE3-CB 4.41Å; W39-C43 HydrophobicContact CG-CB 4.45Å; W39-C43 HydrophobicContact CH2-CB 4.19Å; W39-C43 HydrophobicContact CZ2-CB 3.68Å; W39-C43 WeakPolarHBondContact O-CB 3.43Å; W39-C43 PolarHBondContact O-N 3.38Å
44G85.5Confident91.5Very high37 Ų3775 Ų7538%0.38138%0.378SS..  trans83163.6-177.300000113.7W40 A46W40-G44 VanDerWaalsContact CD1-O 3.22Å; W40-G44 WeakPolarHBondContact O-CA 3.12Å; W40-G44 PolarHBondContact O-N 3.3Å; G44-A46 VanDerWaalsContact C-N 3.31Å; G44-A46 PolarHBondContact O-N 3.29Å
45K91.3Very high91.1Very high122 Ų12275.6 Ų75.653%0.5338%0.378SS..SBendtrans-73.972.8-174.9-72.7-171.5-179.7179.20113.2W40 F54W40-K45 HydrophobicContact CB-CG 4.28Å; W40-K45 VanDerWaalsContact CD1-CA 3.48Å; W40-K45 HydrophobicContact CD2-CG 4.23Å; W40-K45 HydrophobicContact CG-CB 4.48Å; W40-K45 HydrophobicContact CG-CG 4.13Å; K45-F54 HydrophobicContact CB-CB 4.31Å; K45-F54 PolarHBondContact O-N 2.98Å
46A92.4Very high90.5Very high24 Ų2481.8 Ų81.820%0.19841%0.41CS..BIsolated β-bridgetrans-138.5162.2175.100000111.8W40 G44 E52W40-A46 PolarHBondContact NE1-O 3.19Å; G44-A46 VanDerWaalsContact C-N 3.31Å; G44-A46 PolarHBondContact O-N 3.29Å; A46-E52 CarbonylContact C-O 3.56Å; A46-E52 WeakPolarHBondContact CA-O 3.36Å
47C94.4Very high89.7Confident3 Ų385.8 Ų85.82%0.0245%0.451CS..  trans-68.6128.2174-179.80000111.3L25 C27 E49 C50 R51 E52L25-C47 HydrophobicContact CD1-CB 3.78Å; C27-C47 VanDerWaalsContact SG-SG 3.64Å; C47-E49 VanDerWaalsContact C-N 3.26Å; C47-E49 PolarHBondContact O-N 3.45Å; C47-E49 PolarHBondContact SG-N 2.71Å; C47-C50 VanDerWaalsContact CB-SG 3.54Å; C47-R51 WeakPolarHBondContact O-CA 3.32Å; C47-R51 PolarHBondContact O-N 3.08Å; C47-E52 PolarHBondContact N-O 3.18Å
48P91.9Very high89.2Confident32 Ų3282.2 Ų82.221%0.20845%0.448CS..THydrogen-bonded Turntrans-60.3-29.6176.2-22.728.7000114.7I14 F31 I36 W39I14-P48 HydrophobicContact CD1-CG 3.95Å; I14-P48 HydrophobicContact CG1-CG 4.33Å; F31-P48 HydrophobicContact CD1-CG 4.38Å; F31-P48 HydrophobicContact CE1-CB 4.1Å; F31-P48 HydrophobicContact CE1-CG 3.88Å; F31-P48 HydrophobicContact CE2-CG 4.33Å; F31-P48 HydrophobicContact CZ-CB 4.15Å; F31-P48 HydrophobicContact CZ-CG 3.87Å; I36-P48 VanDerWaalsContact CD1-CD 3.42Å; I36-P48 HydrophobicContact CD1-CG 3.64Å; W39-P48 HydrophobicContact CD2-CB 4.34Å; W39-P48 HydrophobicContact CD2-CG 4.08Å; W39-P48 HydrophobicContact CG-CG 3.91Å; W39-P48 HydrophobicContact CZ2-CB 4.39Å
49E92Very high88.9Confident97 Ų9785.5 Ų85.545%0.45346%0.46SS..THydrogen-bonded Turntrans-90-54.8-175.6-72.5-174-13600112.7A13 H29 F31 C47A13-E49 HydrophobicContact CB-CG 4.3Å; A13-E49 WeakPolarHBondContact CB-OE1 3.45Å; H29-E49 IonicContact CD2-OE2 3.22Å; H29-E49 PolarHBondContact CD2-OE2 2.89Å; H29-E49 VanDerWaalsContact CD2-OE2 3.28Å; H29-E49 IonicContact NE2-OE2 3.93Å; F31-E49 HydrophobicContact CE1-CG 4.2Å; F31-E49 HydrophobicContact CZ-CB 4.45Å; F31-E49 HydrophobicContact CZ-CG 3.97Å; C47-E49 VanDerWaalsContact C-N 3.26Å; C47-E49 PolarHBondContact O-N 3.45Å; C47-E49 PolarHBondContact SG-N 2.71Å
50C92.9Very high88.8Confident55 Ų5583.6 Ų83.637%0.37246%0.456SS..THydrogen-bonded Turntrans-100.5-4.6-17666.10000114.6C27 C47 E52C27-C50 VanDerWaalsContact SG-SG 3.64Å; C47-C50 VanDerWaalsContact CB-SG 3.54Å; C50-E52 PolarHBondContact O-N 3.2Å; C50-E52 VanDerWaalsContact O-N 3.14Å
51R91.8Very high88.6Confident212 Ų21290.9 Ų90.980%0.848%0.484SS*.  trans6211.5-178.4-53.4-179.3-179.2178.7-0.5115.5C47C47-R51 WeakPolarHBondContact O-CA 3.32Å; C47-R51 PolarHBondContact O-N 3.08Å
52E93.4Very high88.7Confident102 Ų10290.4 Ų90.448%0.47747%0.472SS..PPolyproline II helixtrans-64.7131.2176.3-164.9171170.300110.5C27 A46 C47 C50C27-E52 HydrophobicContact CB-CB 4.21Å; C27-E52 WeakPolarHBondContact CB-OE2 3.29Å; A46-E52 CarbonylContact C-O 3.56Å; A46-E52 WeakPolarHBondContact CA-O 3.36Å; C47-E52 PolarHBondContact N-O 3.18Å; C50-E52 PolarHBondContact O-N 3.2Å; C50-E52 VanDerWaalsContact O-N 3.14Å
53P90.9Very high89Confident101 Ų10184.1 Ų84.166%0.65645%0.451SS*.BIsolated β-bridgetrans-68.6141.4-178.627.9-33.7000110.8
54F90.1Very high89.2Confident20 Ų2086.3 Ų86.39%0.08846%0.462CS..PPolyproline II helixtrans-82.3129.4175.3-171.2-93.3000109.7L25 P26 W40 K45 D56 A58L25-F54 HydrophobicContact CD2-CD2 3.93Å; L25-F54 HydrophobicContact CD2-CE2 4Å; P26-F54 HydrophobicContact CG-CD2 4.21Å; P26-F54 HydrophobicContact CG-CE2 4.07Å; W40-F54 HydrophobicContact CH2-CB 4.31Å; W40-F54 AromaticContact CH2-CD1 3.84Å; W40-F54 HydrophobicContact CH2-CD1 3.84Å; W40-F54 AromaticContact CH2-CD2 3.59Å; W40-F54 HydrophobicContact CH2-CD2 3.59Å; W40-F54 AromaticContact CH2-CE1 3.96Å; W40-F54 HydrophobicContact CH2-CE1 3.96Å; W40-F54 AromaticContact CH2-CE2 3.72Å; W40-F54 HydrophobicContact CH2-CE2 3.72Å; W40-F54 AromaticContact CH2-CG 3.64Å; W40-F54 HydrophobicContact CH2-CG 3.64Å; W40-F54 AromaticContact CH2-CZ 3.9Å; W40-F54 HydrophobicContact CH2-CZ 3.9Å; W40-F54 HydrophobicContact CZ2-CB 3.76Å; W40-F54 HydrophobicContact CZ2-CD1 4.17Å; W40-F54 AromaticContact CZ2-CD2 3.54Å; W40-F54 HydrophobicContact CZ2-CD2 3.54Å; W40-F54 HydrophobicContact CZ2-CE2 4.12Å; W40-F54 AromaticContact CZ2-CG 3.55Å; W40-F54 HydrophobicContact CZ2-CG 3.55Å; K45-F54 HydrophobicContact CB-CB 4.31Å; K45-F54 PolarHBondContact O-N 2.98Å; F54-D56 PolarHBondContact O-N 3.2Å; F54-A58 HydrophobicContact CD1-CB 4.48Å; F54-A58 HydrophobicContact CE1-CB 3.63Å; F54-A58 WeakPolarHBondContact CE1-O 3.29Å; F54-A58 HydrophobicContact CZ-CB 3.83Å
55P86.7Confident89.4Confident68 Ų6887.9 Ų87.944%0.44247%0.471SS..PPolyproline II helixtrans-59135.6-175.5-24.733.5000113.5P26 G57 A58P26-P55 HydrophobicContact CG-CG 4.37Å; P55-G57 PolarHBondContact O-N 3.41Å; P55-A58 HydrophobicContact CB-CB 4.22Å; P55-A58 WeakPolarHBondContact O-CB 3.19Å; P55-A58 PolarHBondContact O-N 3.09Å
56D81.3Confident89.2Confident151 Ų15183.2 Ų83.281%0.80745%0.452SS*.THydrogen-bonded Turntrans-63.1132.9175.2-73.4-39.4000111.1F54 A58F54-D56 PolarHBondContact O-N 3.2Å; D56-A58 VanDerWaalsContact C-N 3.3Å; D56-A58 PolarHBondContact O-N 3.25Å
57G78.7Confident89Confident84 Ų8482.4 Ų82.487%0.86645%0.445SS*.THydrogen-bonded Turntrans82-4.3-178.600000115.6P55P55-G57 PolarHBondContact O-N 3.41Å
58A83.2Confident88.5Confident48 Ų4883.7 Ų83.740%0.39746%0.459SS..  trans-76144.5171.900000111.5F54 P55 D56F54-A58 HydrophobicContact CD1-CB 4.48Å; F54-A58 HydrophobicContact CE1-CB 3.63Å; F54-A58 WeakPolarHBondContact CE1-O 3.29Å; F54-A58 HydrophobicContact CZ-CB 3.83Å; P55-A58 HydrophobicContact CB-CB 4.22Å; P55-A58 WeakPolarHBondContact O-CB 3.19Å; P55-A58 PolarHBondContact O-N 3.09Å; D56-A58 VanDerWaalsContact C-N 3.3Å; D56-A58 PolarHBondContact O-N 3.25Å
59E86.3Confident88.2Confident146 Ų14685.4 Ų85.468%0.68247%0.468SS*.  trans-93.9136.5175.2-70.8179.6162.800111.1R61E59-R61 PolarHBondContact O-N 2.81Å; E59-R61 IonicContact OE2-NE 2.74Å; E59-R61 IonicContact OE2-NH2 3.28Å
60L89.1Confident87.8Confident43 Ų4381.1 Ų81.123%0.22545%0.449CS..  trans-76.1111.1172.7-174.967.8000109.7V23 L25 I36 R37 W40V23-L60 HydrophobicContact CB-CD1 3.83Å; V23-L60 HydrophobicContact CB-CD2 4.49Å; V23-L60 HydrophobicContact CB-CG 4.08Å; V23-L60 HydrophobicContact CG1-CD1 4.32Å; V23-L60 HydrophobicContact CG1-CD2 4.27Å; V23-L60 HydrophobicContact CG1-CG 4Å; V23-L60 HydrophobicContact CG2-CD1 3.85Å; V23-L60 HydrophobicContact CG2-CD2 4.17Å; V23-L60 HydrophobicContact CG2-CG 4.21Å; L25-L60 HydrophobicContact CD2-CD1 3.77Å; I36-L60 HydrophobicContact CG2-CD2 3.58Å; R37-L60 HydrophobicContact CG-CD2 4.19Å; W40-L60 HydrophobicContact CH2-CB 4.39Å; W40-L60 HydrophobicContact CH2-CD1 3.87Å; W40-L60 HydrophobicContact CH2-CD2 4.31Å; W40-L60 HydrophobicContact CH2-CG 4.42Å; W40-L60 HydrophobicContact CZ3-CB 4.2Å; W40-L60 HydrophobicContact CZ3-CD1 4.32Å; W40-L60 HydrophobicContact CZ3-CD2 3.94Å; W40-L60 HydrophobicContact CZ3-CG 4.39Å
61R89.3Confident87.3Confident183 Ų18384.7 Ų84.769%0.69146%0.46SS*.  trans-105143.7-177.8-65-176.4178.4178.90.4112E59E59-R61 PolarHBondContact O-N 2.81Å; E59-R61 IonicContact OE2-NE 2.74Å; E59-R61 IonicContact OE2-NH2 3.28Å
62R92.1Very high86.6Confident127 Ų12779.7 Ų79.748%0.47945%0.453SS..BIsolated β-bridgetrans-66.4136.1174.2-177.7179.3173153.43.7110.7D21 P22 V64 S67D21-R62 IonicContact OD1-CZ 3.34Å; D21-R62 IonicContact OD1-NE 2.79Å; D21-R62 IonicContact OD1-NH1 3.18Å; D21-R62 PolarHBondContact OD1-NH1 3.32Å; D21-R62 IonicContact OD1-NH2 2.96Å; D21-R62 PolarHBondContact OD1-NH2 3.46Å; P22-R62 CarbonylContact O-C 3.54Å; P22-R62 WeakPolarHBondContact O-CA 3.28Å; R62-V64 PolarHBondContact O-N 2.98Å; R62-S67 PolarHBondContact NE-OG 3.3Å; R62-S67 PolarHBondContact NH2-OG 2.89Å
63N91.8Very high85.9Confident39 Ų3976.6 Ų76.621%0.20944%0.44CS..  trans-80.597.9169.7-172.3-32.6000109.5P22 T24 A65 L66 S67P22-N63 HydrophobicContact CB-CB 4.45Å; P22-N63 PolarHBondContact O-N 2.99Å; T24-N63 PolarHBondContact OG1-ND2 2.85Å; N63-A65 VanDerWaalsContact C-N 3.32Å; N63-A65 PolarHBondContact O-N 2.8Å; N63-A65 PolarHBondContact OD1-N 3.24Å; N63-A65 VanDerWaalsContact OD1-N 3.11Å; N63-L66 HydrophobicContact CB-CB 4.09Å; N63-L66 WeakPolarHBondContact OD1-CB 3.43Å; N63-L66 PolarHBondContact OD1-N 3Å; N63-S67 WeakPolarHBondContact O-CB 3.48Å; N63-S67 PolarHBondContact O-N 3.28Å; N63-S67 VanDerWaalsContact O-N 3.09Å; N63-S67 PolarHBondContact O-OG 3.06Å
64V89.3Confident85Confident118 Ų11877.7 Ų77.772%0.71544%0.436SS*.Hα-helixtrans-64.5-34.2-179.7-65.10000112.7R62 S67 G68R62-V64 PolarHBondContact O-N 2.98Å; V64-S67 WeakPolarHBondContact O-CB 3.35Å; V64-G68 PolarHBondContact O-N 3.43Å; V64-G68 VanDerWaalsContact O-N 3.15Å
65A88Confident83.9Confident70 Ų7080.3 Ų80.358%0.57946%0.462SS*.Hα-helixtrans-70.3-46.9-179.300000111.3N63 S67 G68 V69N63-A65 VanDerWaalsContact C-N 3.32Å; N63-A65 PolarHBondContact O-N 2.8Å; N63-A65 PolarHBondContact OD1-N 3.24Å; N63-A65 VanDerWaalsContact OD1-N 3.11Å; A65-S67 VanDerWaalsContact C-N 3.27Å; A65-S67 PolarHBondContact O-N 3.14Å; A65-G68 PolarHBondContact O-N 2.92Å; A65-V69 PolarHBondContact O-N 3.36Å; A65-V69 VanDerWaalsContact O-N 3.13Å
66L88.3Confident82.5Confident25 Ų2579 Ų7913%0.13146%0.46CS..Hα-helixtrans-66-33.5178.1-169.157.2000111.2L10 Y19 P22 N30 N63 V69 L70L10-L66 HydrophobicContact CD2-CD1 3.5Å; Y19-L66 HydrophobicContact CD2-CD2 3.86Å; Y19-L66 HydrophobicContact CD2-CG 4.4Å; Y19-L66 HydrophobicContact CE2-CD2 4.07Å; Y19-L66 HydrophobicContact CG-CD2 4.41Å; P22-L66 HydrophobicContact CB-CB 4.19Å; P22-L66 HydrophobicContact CB-CD2 3.61Å; P22-L66 HydrophobicContact CB-CG 3.96Å; P22-L66 HydrophobicContact CG-CB 3.84Å; P22-L66 HydrophobicContact CG-CD2 4.13Å; P22-L66 HydrophobicContact CG-CG 3.88Å; N30-L66 HydrophobicContact CB-CD2 4.04Å; N63-L66 HydrophobicContact CB-CB 4.09Å; N63-L66 WeakPolarHBondContact OD1-CB 3.43Å; N63-L66 PolarHBondContact OD1-N 3Å; L66-V69 PolarHBondContact O-N 2.89Å; L66-L70 HydrophobicContact CG-CD1 4.31Å; L66-L70 VanDerWaalsContact O-CD1 3.23Å; L66-L70 WeakPolarHBondContact O-CD1 3.42Å; L66-L70 VanDerWaalsContact O-CG 3.27Å; L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 2.81Å
67S87.2Confident81.1Confident7 Ų777.9 Ų77.95%0.04946%0.461CS..Hα-helixtrans-58.8-47.4171.4-60.30000112.2R62 N63 V64 A65 V69 L70 E71R62-S67 PolarHBondContact NE-OG 3.3Å; R62-S67 PolarHBondContact NH2-OG 2.89Å; N63-S67 WeakPolarHBondContact O-CB 3.48Å; N63-S67 PolarHBondContact O-N 3.28Å; N63-S67 VanDerWaalsContact O-N 3.09Å; N63-S67 PolarHBondContact O-OG 3.06Å; V64-S67 WeakPolarHBondContact O-CB 3.35Å; A65-S67 VanDerWaalsContact C-N 3.27Å; A65-S67 PolarHBondContact O-N 3.14Å; S67-V69 VanDerWaalsContact C-N 3.34Å; S67-V69 PolarHBondContact O-N 3.34Å; S67-L70 PolarHBondContact O-N 2.94Å; S67-E71 WeakPolarHBondContact O-CG 3.39Å; S67-E71 PolarHBondContact O-N 3.03Å
68G84.6Confident79.3Confident30 Ų3078.4 Ų78.431%0.30946%0.458SS..Hα-helixtrans-64.7-35.217800000113.4V64 A65 E71 V72V64-G68 PolarHBondContact O-N 3.43Å; V64-G68 VanDerWaalsContact O-N 3.15Å; A65-G68 PolarHBondContact O-N 2.92Å; G68-E71 PolarHBondContact O-N 2.71Å; G68-V72 WeakPolarHBondContact O-CG2 3.15Å; G68-V72 PolarHBondContact O-N 2.84Å
69V85.4Confident77.1Confident67 Ų6787.4 Ų87.441%0.40648%0.481SS..Hα-helixtrans-64.3-42.5173.8174.60000111L10 A65 L66 S67 E71 V72 V73L10-V69 HydrophobicContact CD1-CG1 3.97Å; L10-V69 HydrophobicContact CD2-CG1 4.25Å; A65-V69 PolarHBondContact O-N 3.36Å; A65-V69 VanDerWaalsContact O-N 3.13Å; L66-V69 PolarHBondContact O-N 2.89Å; S67-V69 VanDerWaalsContact C-N 3.34Å; S67-V69 PolarHBondContact O-N 3.34Å; V69-E71 VanDerWaalsContact C-N 3.34Å; V69-E71 PolarHBondContact O-N 2.83Å; V69-V72 PolarHBondContact O-N 2.9Å; V69-V73 WeakPolarHBondContact O-CG2 3.32Å; V69-V73 PolarHBondContact O-N 2.98Å; V69-V73 VanDerWaalsContact O-N 3.08Å
70L83.8Confident74.7Confident8 Ų887.6 Ų87.64%0.04249%0.487CS..Hα-helixtrans-64.8-38.2178-68.2153.3000111.4L10 L18 Y19 P22 L66 S67 V72 V73 H74L10-L70 HydrophobicContact CB-CD2 4.19Å; L18-L70 HydrophobicContact CB-CD2 4.37Å; Y19-L70 WeakPolarHBondContact O-CD1 3.25Å; P22-L70 HydrophobicContact CG-CD1 3.75Å; L66-L70 HydrophobicContact CG-CD1 4.31Å; L66-L70 VanDerWaalsContact O-CD1 3.23Å; L66-L70 WeakPolarHBondContact O-CD1 3.42Å; L66-L70 VanDerWaalsContact O-CG 3.27Å; L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 2.81Å; S67-L70 PolarHBondContact O-N 2.94Å; L70-V72 VanDerWaalsContact C-N 3.28Å; L70-V72 PolarHBondContact O-N 2.85Å; L70-V73 PolarHBondContact O-N 3.38Å; L70-H74 WeakPolarHBondContact O-CB 3.34Å; L70-H74 PolarHBondContact O-N 2.85Å; L70-H74 PolarHBondContact O-ND1 2.92Å
71E81.9Confident72.4Confident130 Ų13091 Ų9161%0.60751%0.512SS*.Hα-helixtrans-58.1-40.7175.5-72.9170.7-170.100112.1S67 G68 V69 A75S67-E71 WeakPolarHBondContact O-CG 3.39Å; S67-E71 PolarHBondContact O-N 3.03Å; G68-E71 PolarHBondContact O-N 2.71Å; V69-E71 VanDerWaalsContact C-N 3.34Å; V69-E71 PolarHBondContact O-N 2.83Å; E71-A75 WeakPolarHBondContact O-CB 3.45Å; E71-A75 PolarHBondContact O-N 3.41Å
72V78.3Confident69.9Low107 Ų10784.8 Ų84.865%0.64850%0.504SS*.Hα-helixtrans-69.1-38.7176.6177.60000111.8G68 V69 L70 A75G68-V72 WeakPolarHBondContact O-CG2 3.15Å; G68-V72 PolarHBondContact O-N 2.84Å; V69-V72 PolarHBondContact O-N 2.9Å; L70-V72 VanDerWaalsContact C-N 3.28Å; L70-V72 PolarHBondContact O-N 2.85Å; V72-A75 PolarHBondContact O-N 3.44Å
73V77.2Confident67.4Low36 Ų3684.8 Ų84.822%0.21852%0.521CS..Hα-helixtrans-68.2-40.4177.2173.10000111.3L6 E7 L10 V69 L70 G76L6-V73 HydrophobicContact CD2-CG2 4.22Å; E7-V73 HydrophobicContact CG-CG1 4.36Å; L10-V73 HydrophobicContact CD1-CG2 3.8Å; V69-V73 WeakPolarHBondContact O-CG2 3.32Å; V69-V73 PolarHBondContact O-N 2.98Å; V69-V73 VanDerWaalsContact O-N 3.08Å; L70-V73 PolarHBondContact O-N 3.38Å; V73-G76 PolarHBondContact O-N 3Å
74H72.4Confident64.8Low124 Ų12489.3 Ų89.357%0.57455%0.545SS*.Hα-helixtrans-71.6-28176.7-72.489.1000113L70 G76L70-H74 WeakPolarHBondContact O-CB 3.34Å; L70-H74 PolarHBondContact O-N 2.85Å; L70-H74 PolarHBondContact O-ND1 2.92Å; H74-G76 PolarHBondContact O-N 3.38Å
75A66.4Low62.5Low75 Ų7589 Ų8962%0.6255%0.546SS*.Hα-helixtrans-67.2-17.4176.800000113.2E71 V72E71-A75 WeakPolarHBondContact O-CB 3.45Å; E71-A75 PolarHBondContact O-N 3.41Å; V72-A75 PolarHBondContact O-N 3.44Å
76G58.8Low60.4Low40 Ų4088.4 Ų88.441%0.41255%0.546SS..  trans60.7174.5-17500000112.8V73 H74 A78V73-G76 PolarHBondContact O-N 3Å; H74-G76 PolarHBondContact O-N 3.38Å; G76-A78 PolarHBondContact O-N 2.87Å
77P50.2Low58Low128 Ų12893 Ų9383%0.83158%0.578SS**SBendtrans-60.1124.4161.326-29.4000106.8R79P77-R79 PolarHBondContact O-N 3.29Å
78A41.2Very low55.9Low95 Ų9595.3 Ų95.379%0.78560%0.602SS**  trans-44.5117.417300000107.9G76 D80G76-A78 PolarHBondContact O-N 2.87Å; A78-D80 PolarHBondContact O-N 3Å
79R37.4Very low53.8Low238 Ų238100.4 Ų100.490%0.89863%0.63SS**  trans-53.8118.6164.5-81.4-179165.6178.9-4.1104.9P77 P81P77-R79 PolarHBondContact O-N 3.29Å; R79-P81 VanDerWaalsContact O-N 3.08Å
80D36.3Very low52.2Low149 Ų14999.8 Ų99.880%0.79764%0.637SS**  trans-41.8122.3168.4-122.8-14.1000106.3A78 G82A78-D80 PolarHBondContact O-N 3Å; D80-G82 PolarHBondContact O-N 3.28Å
81P39.8Very low50.7Low116 Ų116105.8 Ų105.875%0.75368%0.676SS**  trans-61.1100160.86.35.8000103.6R79R79-P81 VanDerWaalsContact O-N 3.08Å
82G37.1Very low49.8Very low51 Ų51103 Ų10353%0.52668%0.675SS.*  trans-45.9144.8165.600000107.5D80 D84D80-G82 PolarHBondContact O-N 3.28Å; G82-D84 PolarHBondContact O-N 3.08Å
83P39.8Very low49.6Very low127 Ų127101 Ų10183%0.82567%0.67SS**  trans-50.9107.5-166.421.6-32.5000108.6
84D37.3Very low49.8Very low135 Ų135107.2 Ų107.272%0.72269%0.69SS**  trans-52.1127.5168.8-158.614.8000104.5G82 G86G82-D84 PolarHBondContact O-N 3.08Å; D84-G86 VanDerWaalsContact C-N 3.31Å; D84-G86 PolarHBondContact O-N 3.34Å
85P41.7Very low50.3Low112 Ų112101.7 Ų101.773%0.72767%0.665SS**  trans-55.2109.3170.4-1325.6000104.3
86G42.6Very low51Low57 Ų57103.9 Ų103.959%0.58867%0.673SS**  trans-45.3143.7-171.600000109.4D84 G88D84-G86 VanDerWaalsContact C-N 3.31Å; D84-G86 PolarHBondContact O-N 3.34Å; G86-G88 PolarHBondContact O-N 3.39Å
87P38.5Very low52Low122 Ų122109.4 Ų109.479%0.79268%0.681SS**  trans-49.7107.4-165.620.9-32.3000108.4
88G42.4Very low53.5Low54 Ų54106.2 Ų106.256%0.55766%0.655SS**  trans-50.9147169.100000107G86 G90G86-G88 PolarHBondContact O-N 3.39Å; G88-G90 PolarHBondContact O-N 2.92Å
89P42.5Very low55.3Low138 Ų138103.5 Ų103.590%0.89664%0.636SS**  trans-51.7105.5-169.921.6-32000108.9
90G50.8Low57.5Low54 Ų5499.4 Ų99.456%0.55762%0.621SS**  trans-56.3150.9176.300000108.3G88 A92G88-G90 PolarHBondContact O-N 2.92Å; G90-A92 PolarHBondContact O-N 3.17Å
91P53Low59.8Low133 Ų13394.2 Ų94.286%0.86460%0.595SS**  trans-51117.5-178.221-31.8000108.9A93P91-A93 PolarHBondContact O-N 3.23Å
92A61.4Low61.9Low71 Ų7190.6 Ų90.659%0.58757%0.569SS**  trans-48.4112.5-175.100000109.3G90 R94G90-A92 PolarHBondContact O-N 3.17Å; A92-R94 WeakPolarHBondContact O-CG 3.32Å; A92-R94 PolarHBondContact O-N 3.32Å; A92-R94 VanDerWaalsContact O-N 3.16Å
93A75Confident64.1Low66 Ų6694.2 Ų94.255%0.54557%0.572SS.*PPolyproline II helixtrans-54.3124.9-175.400000109.1P91 M102P91-A93 PolarHBondContact O-N 3.23Å; A93-M102 HydrophobicContact CB-SD 4.5Å; A93-M102 WeakPolarHBondContact O-CB 3.43Å; A93-M102 WeakPolarHBondContact O-CG 3.35Å; A93-M102 PolarHBondContact O-N 2.86Å
94R81.3Confident66.3Low167 Ų16790.1 Ų90.163%0.6354%0.543SS*.BIsolated β-bridgetrans-97.4143.8-177-68.2-178.6176.9-95.50110.2A92 P96 G99 R100A92-R94 WeakPolarHBondContact O-CG 3.32Å; A92-R94 PolarHBondContact O-N 3.32Å; A92-R94 VanDerWaalsContact O-N 3.16Å; R94-P96 WeakPolarHBondContact O-CD 3.47Å; R94-G99 PolarHBondContact NH1-O 2.93Å; R94-R100 CarbonylContact C-O 3.59Å; R94-R100 WeakPolarHBondContact CA-O 3.49Å
95C83.4Confident68.9Low7 Ų784.3 Ų84.35%0.04751%0.511CS..PPolyproline II helixtrans-61.3121.8174.6-178.10000110.1R97 H98 G99 R100 M102 C114C95-R97 PolarHBondContact O-N 2.99Å; C95-H98 HydrophobicContact CB-CB 4.24Å; C95-H98 PolarHBondContact O-N 3.33Å; C95-H98 PolarHBondContact SG-ND1 3.48Å; C95-H98 VanDerWaalsContact SG-ND1 3.38Å; C95-G99 WeakPolarHBondContact O-CA 3.29Å; C95-G99 PolarHBondContact O-N 3.42Å; C95-R100 PolarHBondContact N-O 3.28Å; C95-M102 HydrophobicContact CB-CE 4.3Å; C95-M102 HydrophobicContact CB-CG 4.42Å; C95-C114 HydrophobicContact CB-CB 3.82Å; C95-C114 VanDerWaalsContact CB-SG 3.58Å
96P80.9Confident71.2Confident121 Ų12179 Ų7979%0.78648%0.477SS*.THydrogen-bonded Turntrans-62.9-19.3-178.123.9-33.6000113R94 M102R94-P96 WeakPolarHBondContact O-CD 3.47Å; P96-M102 VanDerWaalsContact CD-CE 3.47Å
97R79.8Confident73.4Confident157 Ų15780 Ų8059%0.59246%0.463SS*.THydrogen-bonded Turntrans-96.1-30.6-179.7-68.4176.161.9-166.1-4.3114.3C95 E121C95-R97 PolarHBondContact O-N 2.99Å; R97-E121 IonicContact CZ-OE1 3.66Å; R97-E121 IonicContact NH1-OE1 2.96Å; R97-E121 PolarHBondContact NH1-OE1 3Å; R97-E121 IonicContact NH1-OE2 3.67Å; R97-E121 PolarHBondContact NH1-OE2 3.34Å; R97-E121 IonicContact NH2-OE1 3.51Å; R97-E121 PolarHBondContact NH2-OE1 3.45Å
98H81.7Confident75.8Confident61 Ų6178.4 Ų78.428%0.28245%0.451SS..THydrogen-bonded Turntrans-121.7-6.7-170.5-54113.2000113.4C95 R100 V116 C117C95-H98 HydrophobicContact CB-CB 4.24Å; C95-H98 PolarHBondContact O-N 3.33Å; C95-H98 PolarHBondContact SG-ND1 3.48Å; C95-H98 VanDerWaalsContact SG-ND1 3.38Å; H98-R100 HydrophobicContact CB-CG 4.41Å; H98-R100 PolarHBondContact O-N 3.29Å; H98-V116 HydrophobicContact CB-CB 4.35Å; H98-C117 PolarHBondContact CE1-SG 3.25Å; H98-C117 PolarHBondContact ND1-SG 2.79Å
99G79.6Confident77.9Confident38 Ų3879.5 Ų79.539%0.39244%0.441SS..  trans64.60.7-17900000115.4R94 C95R94-G99 PolarHBondContact NH1-O 2.93Å; C95-G99 WeakPolarHBondContact O-CA 3.29Å; C95-G99 PolarHBondContact O-N 3.42Å
100R82.6Confident80Confident151 Ų15175.2 Ų75.257%0.5742%0.422SS*.  trans-83.7150.8-178.2-64-60-177.6168.6-1.2111.9R94 C95 H98 C114 V116R94-R100 CarbonylContact C-O 3.59Å; R94-R100 WeakPolarHBondContact CA-O 3.49Å; C95-R100 PolarHBondContact N-O 3.28Å; H98-R100 HydrophobicContact CB-CG 4.41Å; H98-R100 PolarHBondContact O-N 3.29Å; R100-C114 HydrophobicContact CB-CB 3.78Å; R100-V116 HydrophobicContact CG-CG2 4.29Å
101P84.2Confident81.8Confident40 Ų4077.9 Ų77.926%0.2642%0.416SS..BIsolated β-bridgetrans-54.6138.8173.3-24.234.6000112.2E103 C114P101-E103 HydrophobicContact CB-CG 3.9Å; P101-E103 PolarHBondContact O-N 2.76Å; P101-C114 WeakPolarHBondContact O-CA 3.24Å; P101-C114 WeakPolarHBondContact O-CB 3.5Å
102M85.2Confident83.5Confident41 Ų4173.9 Ų73.920%0.20239%0.39CS..  trans-88.880.3173.7-66.7-172173.400110.5A93 C95 P96 C112 L130A93-M102 HydrophobicContact CB-SD 4.5Å; A93-M102 WeakPolarHBondContact O-CB 3.43Å; A93-M102 WeakPolarHBondContact O-CG 3.35Å; A93-M102 PolarHBondContact O-N 2.86Å; C95-M102 HydrophobicContact CB-CE 4.3Å; C95-M102 HydrophobicContact CB-CG 4.42Å; P96-M102 VanDerWaalsContact CD-CE 3.47Å; M102-C112 HydrophobicContact CB-CB 4.09Å; M102-C112 HydrophobicContact SD-CB 3.77Å; M102-L130 WeakPolarHBondContact O-CD2 3.09Å
103E83.4Confident84.7Confident126 Ų12670.7 Ų70.759%0.58936%0.363SS*.  trans-95.7-2.8-176.2-65.1165.3134.800113.3P101 L130P101-E103 HydrophobicContact CB-CG 3.9Å; P101-E103 PolarHBondContact O-N 2.76Å; E103-L130 VanDerWaalsContact O-CB 3.3Å; E103-L130 WeakPolarHBondContact O-CB 3.3Å; E103-L130 PolarHBondContact O-N 3.35Å
104L85.9Confident85.3Confident42 Ų4267.6 Ų67.622%0.2234%0.338CS..EExtended strand (participates in β ladder)trans-121.8146.4-175.4-64.7162.1000110.1C112 V113 T118 A128 L129L104-C112 CarbonylContact O-C 3.46Å; L104-C112 WeakPolarHBondContact O-CA 3.48Å; L104-V113 HydrophobicContact CB-CG2 3.9Å; L104-V113 PolarHBondContact N-O 3.17Å; L104-V113 PolarHBondContact O-N 2.86Å; L104-V113 VanDerWaalsContact O-O 3.09Å; L104-T118 HydrophobicContact CB-CG2 4.32Å; L104-T118 HydrophobicContact CD1-CG2 3.46Å; L104-T118 VanDerWaalsContact CD1-CG2 3.46Å; L104-A128 CarbonylContact C-O 3.59Å; L104-A128 WeakPolarHBondContact CA-O 3.45Å; L104-L129 HydrophobicContact CD2-CD2 3.91Å
105F90.8Very high85.5Confident13 Ų1362.6 Ų62.66%0.05733%0.328CS..EExtended strand (participates in β ladder)trans-114.9125174.2-173.2-90.5000110R107 G110 R127 A128 L130 E133 R137F105-R107 HydrophobicContact CD1-CG 4.25Å; F105-R107 HydrophobicContact CE1-CG 4.48Å; F105-G110 WeakPolarHBondContact CZ-O 3.41Å; F105-R127 WeakPolarHBondContact O-CA 3.33Å; F105-A128 PolarHBondContact N-O 3.23Å; F105-A128 PolarHBondContact O-N 2.86Å; F105-L130 HydrophobicContact CB-CD1 4.14Å; F105-L130 HydrophobicContact CD2-CD1 4.27Å; F105-E133 HydrophobicContact CB-CB 4.16Å; F105-E133 HydrophobicContact CB-CG 4.2Å; F105-E133 HydrophobicContact CD1-CG 3.67Å; F105-E133 HydrophobicContact CE1-CG 4.28Å; F105-E133 HydrophobicContact CG-CB 4.45Å; F105-E133 HydrophobicContact CG-CG 3.97Å; F105-R137 VanDerWaalsContact CZ-NH2 3.31Å
106C89.6Confident85.5Confident0 Ų064.3 Ų64.30%034%0.339CS..EExtended strand (participates in β ladder)trans-87.1112.1173.7-178.60000109.2E109 G110 R111 V113 H125C106-E109 HydrophobicContact CB-CB 4.45Å; C106-G110 WeakPolarHBondContact O-CA 3.4Å; C106-G110 PolarHBondContact O-N 3.12Å; C106-R111 PolarHBondContact N-O 2.89Å; C106-R111 PolarHBondContact O-N 3.21Å; C106-V113 HydrophobicContact CB-CG1 4.11Å; C106-V113 HydrophobicContact CB-CG2 4.22Å; C106-H125 WeakPolarHBondContact SG-CB 3.3Å
107R89.6Confident85.6Confident79 Ų7959 Ų5930%0.29830%0.304SS..THydrogen-bonded Turntrans-68-36.8179.4-69.5-179.3174.8161.26.4112.1F105 E126 E133F105-R107 HydrophobicContact CD1-CG 4.25Å; F105-R107 HydrophobicContact CE1-CG 4.48Å; R107-E126 HydrophobicContact CB-CB 4.27Å; R107-E126 WeakPolarHBondContact CD-OE1 3.46Å; R107-E126 IonicContact CZ-OE1 3.15Å; R107-E126 PolarHBondContact N-O 3.33Å; R107-E126 IonicContact NE-OE1 2.94Å; R107-E126 IonicContact NH1-OE1 3.33Å; R107-E126 PolarHBondContact NH1-OE1 2.99Å; R107-E133 IonicContact CZ-OE2 3.85Å; R107-E133 VanDerWaalsContact CZ-OE2 3.22Å; R107-E133 IonicContact NE-OE1 2.69Å; R107-E133 IonicContact NE-OE2 3.97Å; R107-E133 PolarHBondContact NE-OE2 2.83Å; R107-E133 IonicContact NH2-OE2 3.69Å; R107-E133 PolarHBondContact NH2-OE2 2.96Å
108T87.7Confident85.7Confident87 Ų8752.2 Ų52.253%0.53428%0.28SS..THydrogen-bonded Turntrans-64.5-39.5-179.6-48.30000112.5H125 E126T108-H125 WeakPolarHBondContact OG1-CB 3.5Å; T108-E126 PolarHBondContact OG1-N 2.89Å
109E86.5Confident85.8Confident77 Ų7753.2 Ų53.236%0.3629%0.29SS..THydrogen-bonded Turntrans-103.6-2.8-177.8-63.9-177.7149.200113.6C106 R111 C122 H125C106-E109 HydrophobicContact CB-CB 4.45Å; E109-R111 VanDerWaalsContact C-N 3.3Å; E109-R111 HydrophobicContact CB-CG 4Å; E109-R111 VanDerWaalsContact CD-NH2 3.29Å; E109-R111 PolarHBondContact O-N 3.44Å; E109-R111 IonicContact OE1-NH2 3.78Å; E109-R111 PolarHBondContact OE1-NH2 2.85Å; E109-R111 IonicContact OE2-CZ 3.18Å; E109-R111 IonicContact OE2-NE 3.31Å; E109-R111 PolarHBondContact OE2-NE 2.83Å; E109-R111 IonicContact OE2-NH2 2.78Å; E109-R111 PolarHBondContact OE2-NH2 2.9Å; E109-C122 PolarHBondContact OE2-SG 2.9Å; E109-H125 VanDerWaalsContact CD-CE1 3.46Å; E109-H125 IonicContact OE1-CE1 2.76Å; E109-H125 PolarHBondContact OE1-CE1 2.9Å; E109-H125 IonicContact OE1-ND1 2.81Å; E109-H125 IonicContact OE2-ND1 3.22Å
110G87.3Confident85.8Confident48 Ų4856.9 Ų56.950%0.49530%0.297SS..THydrogen-bonded Turntrans65.823.717700000115.5F105 C106F105-G110 WeakPolarHBondContact CZ-O 3.41Å; C106-G110 WeakPolarHBondContact O-CA 3.4Å; C106-G110 PolarHBondContact O-N 3.12Å
111R88Confident85.7Confident111 Ų11152.9 Ų52.942%0.41929%0.285SS..EExtended strand (participates in β ladder)trans-132.8153.2-172.965.4-176.8178.91741.3114.1C106 E109 V113 E121C106-R111 PolarHBondContact N-O 2.89Å; C106-R111 PolarHBondContact O-N 3.21Å; E109-R111 VanDerWaalsContact C-N 3.3Å; E109-R111 HydrophobicContact CB-CG 4Å; E109-R111 VanDerWaalsContact CD-NH2 3.29Å; E109-R111 PolarHBondContact O-N 3.44Å; E109-R111 IonicContact OE1-NH2 3.78Å; E109-R111 PolarHBondContact OE1-NH2 2.85Å; E109-R111 IonicContact OE2-CZ 3.18Å; E109-R111 IonicContact OE2-NE 3.31Å; E109-R111 PolarHBondContact OE2-NE 2.83Å; E109-R111 IonicContact OE2-NH2 2.78Å; E109-R111 PolarHBondContact OE2-NH2 2.9Å; R111-V113 HydrophobicContact CG-CG1 4.1Å; R111-E121 IonicContact NH2-OE2 3.66Å
112C89.3Confident85.6Confident49 Ų4951 Ų5133%0.33127%0.272SS..EExtended strand (participates in β ladder)trans-73.3136171.1-540000110.3M102 L104 L130M102-C112 HydrophobicContact CB-CB 4.09Å; M102-C112 HydrophobicContact SD-CB 3.77Å; L104-C112 CarbonylContact O-C 3.46Å; L104-C112 WeakPolarHBondContact O-CA 3.48Å; C112-L130 VanDerWaalsContact SG-CD1 3.54Å
113V87.8Confident85.4Confident4 Ų456.5 Ų56.52%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-133.9148.9-175.1-65.10000110.4L104 C106 R111 C117 T118L104-V113 HydrophobicContact CB-CG2 3.9Å; L104-V113 PolarHBondContact N-O 3.17Å; L104-V113 PolarHBondContact O-N 2.86Å; L104-V113 VanDerWaalsContact O-O 3.09Å; C106-V113 HydrophobicContact CB-CG1 4.11Å; C106-V113 HydrophobicContact CB-CG2 4.22Å; R111-V113 HydrophobicContact CG-CG1 4.1Å; V113-C117 HydrophobicContact CB-CB 3.91Å; V113-C117 HydrophobicContact CG1-CB 4.29Å; V113-T118 HydrophobicContact CG2-CG2 3.81Å
114C87.3Confident85.4Confident0 Ų058.8 Ų58.80%031%0.306CS..  trans-89.4167.3170.971.50000111.1C95 R100 P101 V116 C117 T118C95-C114 HydrophobicContact CB-CB 3.82Å; C95-C114 VanDerWaalsContact CB-SG 3.58Å; R100-C114 HydrophobicContact CB-CB 3.78Å; P101-C114 WeakPolarHBondContact O-CA 3.24Å; P101-C114 WeakPolarHBondContact O-CB 3.5Å; C114-V116 PolarHBondContact O-N 3.34Å; C114-V116 VanDerWaalsContact O-N 3.13Å; C114-C117 WeakPolarHBondContact O-CB 3.2Å; C114-C117 PolarHBondContact O-N 2.77Å; C114-C117 VanDerWaalsContact O-N 3.09Å; C114-C117 VanDerWaalsContact SG-SG 3.69Å; C114-T118 VanDerWaalsContact O-CG2 3.23Å; C114-T118 WeakPolarHBondContact O-CG2 3.45Å; C114-T118 PolarHBondContact O-N 3.04Å
115S83.9Confident85.6Confident62 Ų6259.1 Ų59.143%0.43431%0.306SS..Hα-helixtrans-51-37.9178.8570000113.8T118S115-T118 WeakPolarHBondContact O-CB 3.43Å; S115-T118 PolarHBondContact O-N 2.95Å; S115-T118 PolarHBondContact O-OG1 3Å
116V84Confident85.4Confident44 Ų4463.8 Ų63.827%0.26733%0.329SS..Hα-helixtrans-68-44.7178.9-178.10000112.1H98 R100 C114 T118 V119 H120H98-V116 HydrophobicContact CB-CB 4.35Å; R100-V116 HydrophobicContact CG-CG2 4.29Å; C114-V116 PolarHBondContact O-N 3.34Å; C114-V116 VanDerWaalsContact O-N 3.13Å; V116-T118 PolarHBondContact O-N 2.88Å; V116-V119 PolarHBondContact O-N 2.99Å; V116-H120 PolarHBondContact O-CD2 2.88Å; V116-H120 VanDerWaalsContact O-CD2 3.28Å; V116-H120 PolarHBondContact O-N 3.45Å
117C84.3Confident85.4Confident9 Ų968.8 Ų68.86%0.06135%0.347CS..Hα-helixtrans-57.6-33.2175.6-70.50000111.9H98 V113 C114 V119 H120 E121 C122H98-C117 PolarHBondContact CE1-SG 3.25Å; H98-C117 PolarHBondContact ND1-SG 2.79Å; V113-C117 HydrophobicContact CB-CB 3.91Å; V113-C117 HydrophobicContact CG1-CB 4.29Å; C114-C117 WeakPolarHBondContact O-CB 3.2Å; C114-C117 PolarHBondContact O-N 2.77Å; C114-C117 VanDerWaalsContact O-N 3.09Å; C114-C117 VanDerWaalsContact SG-SG 3.69Å; C117-V119 PolarHBondContact O-N 2.87Å; C117-H120 PolarHBondContact O-N 3.37Å; C117-E121 PolarHBondContact O-N 3.12Å; C117-C122 PolarHBondContact O-N 3.29Å
118T81.9Confident85.3Confident15 Ų1565.8 Ų65.89%0.09234%0.34CS..Hα-helixtrans-67.8-26.518080.10000113.2L104 V113 C114 S115 V116 C122 R123 R127L104-T118 HydrophobicContact CB-CG2 4.32Å; L104-T118 HydrophobicContact CD1-CG2 3.46Å; L104-T118 VanDerWaalsContact CD1-CG2 3.46Å; V113-T118 HydrophobicContact CG2-CG2 3.81Å; C114-T118 VanDerWaalsContact O-CG2 3.23Å; C114-T118 WeakPolarHBondContact O-CG2 3.45Å; C114-T118 PolarHBondContact O-N 3.04Å; S115-T118 WeakPolarHBondContact O-CB 3.43Å; S115-T118 PolarHBondContact O-N 2.95Å; S115-T118 PolarHBondContact O-OG1 3Å; V116-T118 PolarHBondContact O-N 2.88Å; T118-C122 CarbonylContact O-C 3.59Å; T118-R123 PolarHBondContact O-N 3.12Å; T118-R127 VanDerWaalsContact CB-NH1 3.34Å; T118-R127 PolarHBondContact O-NH1 3.23Å
119V82.3Confident85.4Confident81 Ų8167.2 Ų67.249%0.49134%0.343SS..Hα-helixtrans-92-21179.9179.50000111.8V116 C117 R123V116-V119 PolarHBondContact O-N 2.99Å; C117-V119 PolarHBondContact O-N 2.87Å; V119-R123 WeakPolarHBondContact O-CD 3.41Å; V119-R123 WeakPolarHBondContact O-CG 3.38Å; V119-R123 VanDerWaalsContact O-CZ 3.25Å; V119-R123 PolarHBondContact O-NE 3.14Å; V119-R123 PolarHBondContact O-NH2 3.37Å
120H81.1Confident85.3Confident115 Ų11565.9 Ų65.953%0.53234%0.338SS..Hα-helixtrans-103.8-50.8-179.5-67.8-71.7000112.9V116 C117V116-H120 PolarHBondContact O-CD2 2.88Å; V116-H120 VanDerWaalsContact O-CD2 3.28Å; V116-H120 PolarHBondContact O-N 3.45Å; C117-H120 PolarHBondContact O-N 3.37Å
121E79.6Confident85.3Confident67 Ų6769.2 Ų69.231%0.31335%0.345SS..THydrogen-bonded Turntrans-107-34.3-165.9-64.6178.6178.100111.8R97 R111 C117R97-E121 IonicContact CZ-OE1 3.66Å; R97-E121 IonicContact NH1-OE1 2.96Å; R97-E121 PolarHBondContact NH1-OE1 3Å; R97-E121 IonicContact NH1-OE2 3.67Å; R97-E121 PolarHBondContact NH1-OE2 3.34Å; R97-E121 IonicContact NH2-OE1 3.51Å; R97-E121 PolarHBondContact NH2-OE1 3.45Å; R111-E121 IonicContact NH2-OE2 3.66Å; C117-E121 PolarHBondContact O-N 3.12Å
122C82.1Confident85.2Confident0 Ų066.5 Ų66.50%035%0.346CS..SBendtrans-107.133.1-176.4-45.70000112.6E109 C117 T118 L124 H125 R127E109-C122 PolarHBondContact OE2-SG 2.9Å; C117-C122 PolarHBondContact O-N 3.29Å; T118-C122 CarbonylContact O-C 3.59Å; C122-L124 VanDerWaalsContact C-N 3.33Å; C122-L124 PolarHBondContact O-N 3.07Å; C122-H125 HydrophobicContact CB-CB 3.99Å; C122-H125 PolarHBondContact O-N 2.85Å; C122-R127 PolarHBondContact O-NE 3.48Å; C122-R127 PolarHBondContact O-NH1 2.72Å
123R80.6Confident85.2Confident158 Ų15864.7 Ų64.760%0.59633%0.333SS*.THydrogen-bonded Turntrans-57.3-43.8-174.6-72.5-175.8-177.2-159.4-14.5112.9T118 V119 R127T118-R123 PolarHBondContact O-N 3.12Å; V119-R123 WeakPolarHBondContact O-CD 3.41Å; V119-R123 WeakPolarHBondContact O-CG 3.38Å; V119-R123 VanDerWaalsContact O-CZ 3.25Å; V119-R123 PolarHBondContact O-NE 3.14Å; V119-R123 PolarHBondContact O-NH2 3.37Å; R123-R127 PolarHBondContact O-NH2 2.94Å
124L84Confident85.3Confident173 Ų17371.7 Ų71.791%0.90636%0.359SS*.THydrogen-bonded Turntrans-101.23.4-176.8-61.7175000112.8C122C122-L124 VanDerWaalsContact C-N 3.33Å; C122-L124 PolarHBondContact O-N 3.07Å
125H89.9Confident85.5Confident49 Ų4977 Ų7723%0.22739%0.387CS..SBendtrans-86.1148.4-177.4-64.3169.6000111.7C106 T108 E109 C122 R127C106-H125 WeakPolarHBondContact SG-CB 3.3Å; T108-H125 WeakPolarHBondContact OG1-CB 3.5Å; E109-H125 VanDerWaalsContact CD-CE1 3.46Å; E109-H125 IonicContact OE1-CE1 2.76Å; E109-H125 PolarHBondContact OE1-CE1 2.9Å; E109-H125 IonicContact OE1-ND1 2.81Å; E109-H125 IonicContact OE2-ND1 3.22Å; C122-H125 HydrophobicContact CB-CB 3.99Å; C122-H125 PolarHBondContact O-N 2.85Å; H125-R127 PolarHBondContact O-N 2.93Å; H125-R127 PolarHBondContact O-NE 3.44Å; H125-R127 VanDerWaalsContact O-NE 3.11Å
126E86.9Confident85.9Confident112 Ų11278.6 Ų78.652%0.52339%0.386SS..  trans-70.3129.1172.7-166-170.9168.300109.3R107 T108R107-E126 HydrophobicContact CB-CB 4.27Å; R107-E126 WeakPolarHBondContact CD-OE1 3.46Å; R107-E126 IonicContact CZ-OE1 3.15Å; R107-E126 PolarHBondContact N-O 3.33Å; R107-E126 IonicContact NE-OE1 2.94Å; R107-E126 IonicContact NH1-OE1 3.33Å; R107-E126 PolarHBondContact NH1-OE1 2.99Å; T108-E126 PolarHBondContact OG1-N 2.89Å
127R88.6Confident86.3Confident104 Ų10481.4 Ų81.439%0.39239%0.392SS..EExtended strand (participates in β ladder)trans-135.5148.6-171.6-69.2163.2-68.8170.811110.2F105 T118 C122 R123 H125F105-R127 WeakPolarHBondContact O-CA 3.33Å; T118-R127 VanDerWaalsContact CB-NH1 3.34Å; T118-R127 PolarHBondContact O-NH1 3.23Å; C122-R127 PolarHBondContact O-NE 3.48Å; C122-R127 PolarHBondContact O-NH1 2.72Å; R123-R127 PolarHBondContact O-NH2 2.94Å; H125-R127 PolarHBondContact O-N 2.93Å; H125-R127 PolarHBondContact O-NE 3.44Å; H125-R127 VanDerWaalsContact O-NE 3.11Å
128A88.4Confident86.8Confident17 Ų1783.1 Ų83.114%0.1440%0.399CS..EExtended strand (participates in β ladder)trans-137.3161.6172.700000110L104 F105 E133L104-A128 CarbonylContact C-O 3.59Å; L104-A128 WeakPolarHBondContact CA-O 3.45Å; F105-A128 PolarHBondContact N-O 3.23Å; F105-A128 PolarHBondContact O-N 2.86Å; A128-E133 HydrophobicContact CB-CB 4.27Å
129L89.4Confident87.4Confident116 Ų11685 Ų8561%0.60742%0.416SS*.EExtended strand (participates in β ladder)trans-60.6137.3165.7-67.9171.1000109L104 D131 A132 E133L104-L129 HydrophobicContact CD2-CD2 3.91Å; L129-D131 VanDerWaalsContact C-N 3.31Å; L129-D131 PolarHBondContact O-N 3.36Å; L129-A132 HydrophobicContact CB-CB 4.11Å; L129-A132 PolarHBondContact O-N 3.24Å; L129-E133 PolarHBondContact O-N 3.09Å
130L85.6Confident88Confident49 Ų4986.5 Ų86.526%0.25742%0.418SS..Hα-helixtrans-57.2-45-175.1179.563000111.5M102 E103 F105 C112 A132 E133 R134M102-L130 WeakPolarHBondContact O-CD2 3.09Å; E103-L130 VanDerWaalsContact O-CB 3.3Å; E103-L130 WeakPolarHBondContact O-CB 3.3Å; E103-L130 PolarHBondContact O-N 3.35Å; F105-L130 HydrophobicContact CB-CD1 4.14Å; F105-L130 HydrophobicContact CD2-CD1 4.27Å; C112-L130 VanDerWaalsContact SG-CD1 3.54Å; L130-A132 PolarHBondContact O-N 3.16Å; L130-E133 PolarHBondContact O-N 2.76Å; L130-R134 WeakPolarHBondContact O-CB 3.31Å; L130-R134 PolarHBondContact O-N 2.94Å
131D85.4Confident88.7Confident119 Ų11986.9 Ų86.964%0.63642%0.423SS*.Hα-helixtrans-66-38.9-179.9-63.4-29000112.3L129 R134 L135L129-D131 VanDerWaalsContact C-N 3.31Å; L129-D131 PolarHBondContact O-N 3.36Å; D131-R134 PolarHBondContact O-N 3.36Å; D131-L135 WeakPolarHBondContact O-CB 3.37Å; D131-L135 WeakPolarHBondContact O-CG 3.47Å; D131-L135 PolarHBondContact O-N 2.94Å
132A87.6Confident89.5Confident54 Ų5490.4 Ų90.445%0.44643%0.434SS..Hα-helixtrans-66.9-39.7176.800000111.9L129 L130 K136L129-A132 HydrophobicContact CB-CB 4.11Å; L129-A132 PolarHBondContact O-N 3.24Å; L130-A132 PolarHBondContact O-N 3.16Å; A132-K136 WeakPolarHBondContact O-CB 3.35Å; A132-K136 PolarHBondContact O-N 3.46Å; A132-K136 VanDerWaalsContact O-N 3.07Å
133E88.9Confident90.2Very high11 Ų1192.8 Ų92.85%0.05145%0.453CS..Hα-helixtrans-69.8-38.3175.5-172.365.6-161.200111.8F105 R107 A128 L129 L130 K136 R137F105-E133 HydrophobicContact CB-CB 4.16Å; F105-E133 HydrophobicContact CB-CG 4.2Å; F105-E133 HydrophobicContact CD1-CG 3.67Å; F105-E133 HydrophobicContact CE1-CG 4.28Å; F105-E133 HydrophobicContact CG-CB 4.45Å; F105-E133 HydrophobicContact CG-CG 3.97Å; R107-E133 IonicContact CZ-OE2 3.85Å; R107-E133 VanDerWaalsContact CZ-OE2 3.22Å; R107-E133 IonicContact NE-OE1 2.69Å; R107-E133 IonicContact NE-OE2 3.97Å; R107-E133 PolarHBondContact NE-OE2 2.83Å; R107-E133 IonicContact NH2-OE2 3.69Å; R107-E133 PolarHBondContact NH2-OE2 2.96Å; A128-E133 HydrophobicContact CB-CB 4.27Å; L129-E133 PolarHBondContact O-N 3.09Å; L130-E133 PolarHBondContact O-N 2.76Å; E133-K136 PolarHBondContact O-N 3.38Å; E133-R137 WeakPolarHBondContact O-CB 3.28Å; E133-R137 WeakPolarHBondContact O-CG 3.42Å; E133-R137 PolarHBondContact O-N 3.36Å; E133-R137 IonicContact OE1-CZ 2.75Å; E133-R137 IonicContact OE1-NE 3.5Å; E133-R137 PolarHBondContact OE1-NE 3.32Å; E133-R137 IonicContact OE1-NH2 2.94Å
134R89.4Confident90.9Very high150 Ų15088.5 Ų88.557%0.56645%0.447SS*.Hα-helixtrans-59.2-51.8173.3-178.4-177-178.6-73.5-7.2110.7L130 D131 K136 R137 E138L130-R134 WeakPolarHBondContact O-CB 3.31Å; L130-R134 PolarHBondContact O-N 2.94Å; D131-R134 PolarHBondContact O-N 3.36Å; R134-K136 VanDerWaalsContact C-N 3.31Å; R134-K136 PolarHBondContact O-N 2.9Å; R134-R137 PolarHBondContact O-N 3.12Å; R134-E138 IonicContact CZ-OE2 3.56Å; R134-E138 IonicContact NH1-OE2 3.05Å; R134-E138 PolarHBondContact NH1-OE2 2.83Å; R134-E138 IonicContact NH2-OE2 2.7Å; R134-E138 WeakPolarHBondContact O-CB 3.47Å; R134-E138 PolarHBondContact O-N 3.14Å
135L92.2Very high91.5Very high112 Ų11284.9 Ų84.959%0.58643%0.428SS*.Hα-helixtrans-58.4-43.1178.3-74.2170.9000111.8D131 A139D131-L135 WeakPolarHBondContact O-CB 3.37Å; D131-L135 WeakPolarHBondContact O-CG 3.47Å; D131-L135 PolarHBondContact O-N 2.94Å; L135-A139 WeakPolarHBondContact O-CB 3.43Å; L135-A139 PolarHBondContact O-N 3.24Å
136K91.6Very high91.9Very high96 Ų9688.7 Ų88.742%0.41745%0.446SS..Hα-helixtrans-61.6-48.9176.7-175.9-178.9177.6-175.60112A132 E133 R134 A139 Q140A132-K136 WeakPolarHBondContact O-CB 3.35Å; A132-K136 PolarHBondContact O-N 3.46Å; A132-K136 VanDerWaalsContact O-N 3.07Å; E133-K136 PolarHBondContact O-N 3.38Å; R134-K136 VanDerWaalsContact C-N 3.31Å; R134-K136 PolarHBondContact O-N 2.9Å; K136-A139 PolarHBondContact O-N 3.25Å; K136-Q140 WeakPolarHBondContact O-CG 3.44Å; K136-Q140 PolarHBondContact O-N 2.86Å
137R92.4Very high92.3Very high102 Ų10287 Ų8739%0.38544%0.443SS..Hα-helixtrans-68.9-36.9-179.8-72.6-179.4-178.8-163.9-11.8112.4F105 E133 R134 A139 Q140 L141F105-R137 VanDerWaalsContact CZ-NH2 3.31Å; E133-R137 WeakPolarHBondContact O-CB 3.28Å; E133-R137 WeakPolarHBondContact O-CG 3.42Å; E133-R137 PolarHBondContact O-N 3.36Å; E133-R137 IonicContact OE1-CZ 2.75Å; E133-R137 IonicContact OE1-NE 3.5Å; E133-R137 PolarHBondContact OE1-NE 3.32Å; E133-R137 IonicContact OE1-NH2 2.94Å; R134-R137 PolarHBondContact O-N 3.12Å; R137-A139 VanDerWaalsContact C-N 3.35Å; R137-Q140 PolarHBondContact O-N 3.41Å; R137-L141 WeakPolarHBondContact O-CB 3.46Å; R137-L141 VanDerWaalsContact O-CG 3.31Å; R137-L141 WeakPolarHBondContact O-CG 3.28Å; R137-L141 PolarHBondContact O-N 2.92Å
138E94.2Very high92.6Very high46 Ų4685.7 Ų85.722%0.21545%0.447CS..Hα-helixtrans-62.2-43.3174.6-170.3-178.9140.200111R134 L141 R142R134-E138 IonicContact CZ-OE2 3.56Å; R134-E138 IonicContact NH1-OE2 3.05Å; R134-E138 PolarHBondContact NH1-OE2 2.83Å; R134-E138 IonicContact NH2-OE2 2.7Å; R134-E138 WeakPolarHBondContact O-CB 3.47Å; R134-E138 PolarHBondContact O-N 3.14Å; E138-L141 PolarHBondContact O-N 2.84Å; E138-R142 WeakPolarHBondContact O-CG 3.13Å; E138-R142 PolarHBondContact O-N 3.46Å; E138-R142 IonicContact OE1-CZ 2.72Å; E138-R142 IonicContact OE1-NH1 2.83Å; E138-R142 PolarHBondContact OE1-NH1 3.49Å; E138-R142 IonicContact OE1-NH2 2.63Å; E138-R142 PolarHBondContact OE1-NH2 2.9Å
139A94.4Very high93Very high55 Ų5590 Ų9046%0.45547%0.465SS..Hα-helixtrans-63-42173.400000112.3L135 K136 R137 R142 A143L135-A139 WeakPolarHBondContact O-CB 3.43Å; L135-A139 PolarHBondContact O-N 3.24Å; K136-A139 PolarHBondContact O-N 3.25Å; R137-A139 VanDerWaalsContact C-N 3.35Å; A139-R142 PolarHBondContact O-N 2.98Å; A139-A143 PolarHBondContact O-N 2.99Å
140Q95.8Very high93.4Very high111 Ų11191.1 Ų91.152%0.51947%0.466SS..Hα-helixtrans-62.5-43.5175.2-73.7174.8-24.100112.4K136 R137 A143 S144K136-Q140 WeakPolarHBondContact O-CG 3.44Å; K136-Q140 PolarHBondContact O-N 2.86Å; R137-Q140 PolarHBondContact O-N 3.41Å; Q140-A143 PolarHBondContact O-N 2.87Å; Q140-S144 WeakPolarHBondContact O-CB 3.26Å; Q140-S144 PolarHBondContact O-N 2.82Å
141L96.1Very high93.9Very high124 Ų12494.3 Ų94.365%0.64948%0.48SS*.Hα-helixtrans-67-39178.1-72.5172.6000111.8R137 E138 S144 L145R137-L141 WeakPolarHBondContact O-CB 3.46Å; R137-L141 VanDerWaalsContact O-CG 3.31Å; R137-L141 WeakPolarHBondContact O-CG 3.28Å; R137-L141 PolarHBondContact O-N 2.92Å; E138-L141 PolarHBondContact O-N 2.84Å; L141-S144 PolarHBondContact O-N 2.83Å; L141-L145 WeakPolarHBondContact O-CB 3.33Å; L141-L145 PolarHBondContact O-N 3.39Å
142R96.6Very high94.4Very high141 Ų14190.8 Ų90.853%0.53247%0.468SS..Hα-helixtrans-61-48173-77.5-174.3179.6117.65.6111.8E138 A139 S144 L145 E146E138-R142 WeakPolarHBondContact O-CG 3.13Å; E138-R142 PolarHBondContact O-N 3.46Å; E138-R142 IonicContact OE1-CZ 2.72Å; E138-R142 IonicContact OE1-NH1 2.83Å; E138-R142 PolarHBondContact OE1-NH1 3.49Å; E138-R142 IonicContact OE1-NH2 2.63Å; E138-R142 PolarHBondContact OE1-NH2 2.9Å; A139-R142 PolarHBondContact O-N 2.98Å; R142-S144 VanDerWaalsContact C-N 3.32Å; R142-S144 PolarHBondContact O-N 3.28Å; R142-L145 WeakPolarHBondContact O-CB 3.39Å; R142-L145 PolarHBondContact O-N 2.84Å; R142-L145 VanDerWaalsContact O-N 3.16Å; R142-E146 WeakPolarHBondContact O-CG 3.27Å; R142-E146 PolarHBondContact O-N 3.22Å
143A96.1Very high94.8Very high50 Ų5092.4 Ų92.441%0.41347%0.472SS..Hα-helixtrans-61.5-41.1176.500000111.9A139 Q140 L145 E146 V147A139-A143 PolarHBondContact O-N 2.99Å; Q140-A143 PolarHBondContact O-N 2.87Å; A143-L145 VanDerWaalsContact C-N 3.34Å; A143-E146 PolarHBondContact O-N 3.05Å; A143-V147 WeakPolarHBondContact O-CG2 3.34Å; A143-V147 PolarHBondContact O-N 2.85Å; A143-V147 VanDerWaalsContact O-N 3.16Å
144S95.9Very high95.2Very high67 Ų6797.5 Ų97.547%0.46950%0.496SS..Hα-helixtrans-64-39.3174.8-171.10000112.1Q140 L141 R142 V147 T148Q140-S144 WeakPolarHBondContact O-CB 3.26Å; Q140-S144 PolarHBondContact O-N 2.82Å; L141-S144 PolarHBondContact O-N 2.83Å; R142-S144 VanDerWaalsContact C-N 3.32Å; R142-S144 PolarHBondContact O-N 3.28Å; S144-V147 PolarHBondContact O-N 3.49Å; S144-T148 PolarHBondContact O-N 3.32Å; S144-T148 PolarHBondContact O-OG1 3.46Å
145L96.9Very high95.5Very high97 Ų9792.9 Ų92.951%0.50849%0.49SS..Hα-helixtrans-63.9-44.6178179.663.5000111.2L141 R142 A143 V147 T148 Q149L141-L145 WeakPolarHBondContact O-CB 3.33Å; L141-L145 PolarHBondContact O-N 3.39Å; R142-L145 WeakPolarHBondContact O-CB 3.39Å; R142-L145 PolarHBondContact O-N 2.84Å; R142-L145 VanDerWaalsContact O-N 3.16Å; A143-L145 VanDerWaalsContact C-N 3.34Å; L145-V147 VanDerWaalsContact C-N 3.34Å; L145-V147 PolarHBondContact O-N 2.91Å; L145-T148 PolarHBondContact O-N 2.85Å; L145-Q149 HydrophobicContact CD1-CG 4.24Å; L145-Q149 HydrophobicContact CG-CG 4.44Å; L145-Q149 WeakPolarHBondContact O-CB 3.41Å; L145-Q149 VanDerWaalsContact O-CG 3.29Å; L145-Q149 WeakPolarHBondContact O-CG 3.44Å; L145-Q149 PolarHBondContact O-N 3.35Å
146E96.6Very high95.7Very high129 Ų12993.8 Ų93.860%0.60349%0.491SS*.Hα-helixtrans-58.2-45.8176.1-72.7170.7-171.100111.4R142 A143 Q149 Q150R142-E146 WeakPolarHBondContact O-CG 3.27Å; R142-E146 PolarHBondContact O-N 3.22Å; A143-E146 PolarHBondContact O-N 3.05Å; E146-Q149 PolarHBondContact O-N 2.89Å; E146-Q150 WeakPolarHBondContact O-CB 3.3Å; E146-Q150 PolarHBondContact O-N 2.91Å
147V97.1Very high96Very high76 Ų7691.2 Ų91.246%0.46149%0.492SS..Hα-helixtrans-63.2-45.5176.7173.60000111.4A143 S144 L145 Q149 Q150 Q151A143-V147 WeakPolarHBondContact O-CG2 3.34Å; A143-V147 PolarHBondContact O-N 2.85Å; A143-V147 VanDerWaalsContact O-N 3.16Å; S144-V147 PolarHBondContact O-N 3.49Å; L145-V147 VanDerWaalsContact C-N 3.34Å; L145-V147 PolarHBondContact O-N 2.91Å; V147-Q149 VanDerWaalsContact C-N 3.34Å; V147-Q149 PolarHBondContact O-N 3.48Å; V147-Q150 PolarHBondContact O-N 2.68Å; V147-Q151 WeakPolarHBondContact O-CG 3.35Å; V147-Q151 PolarHBondContact O-N 2.93Å
148T94.5Very high96.2Very high77 Ų7792.2 Ų92.247%0.47250%0.501SS..Hα-helixtrans-64-39.2178.6-59.10000111.8S144 L145 Q151 A152S144-T148 PolarHBondContact O-N 3.32Å; S144-T148 PolarHBondContact O-OG1 3.46Å; L145-T148 PolarHBondContact O-N 2.85Å; T148-Q151 PolarHBondContact O-N 2.92Å; T148-A152 WeakPolarHBondContact O-CB 3.35Å; T148-A152 PolarHBondContact O-N 3.3Å
149Q96.7Very high96.3Very high109 Ų10994.8 Ų94.851%0.50952%0.515SS..Hα-helixtrans-65.4-40.1175.1-74.4173.9-15.900111.9L145 E146 V147 A152 T153L145-Q149 HydrophobicContact CD1-CG 4.24Å; L145-Q149 HydrophobicContact CG-CG 4.44Å; L145-Q149 WeakPolarHBondContact O-CB 3.41Å; L145-Q149 VanDerWaalsContact O-CG 3.29Å; L145-Q149 WeakPolarHBondContact O-CG 3.44Å; L145-Q149 PolarHBondContact O-N 3.35Å; E146-Q149 PolarHBondContact O-N 2.89Å; V147-Q149 VanDerWaalsContact C-N 3.34Å; V147-Q149 PolarHBondContact O-N 3.48Å; Q149-A152 PolarHBondContact O-N 3.37Å; Q149-T153 WeakPolarHBondContact O-CG2 3.44Å; Q149-T153 PolarHBondContact O-N 2.76Å; Q149-T153 PolarHBondContact O-OG1 3.1Å; Q149-T153 VanDerWaalsContact O-OG1 3.08Å
150Q96.4Very high96.4Very high138 Ų13897.9 Ų97.965%0.64552%0.524SS*.Hα-helixtrans-64.9-40.1174.8-168.6176.114.200111.8E146 V147 T153 Q154E146-Q150 WeakPolarHBondContact O-CB 3.3Å; E146-Q150 PolarHBondContact O-N 2.91Å; V147-Q150 PolarHBondContact O-N 2.68Å; Q150-T153 WeakPolarHBondContact CA-OG1 3.29Å; Q150-T153 PolarHBondContact O-OG1 3.06Å; Q150-Q154 WeakPolarHBondContact O-CB 3.37Å; Q150-Q154 PolarHBondContact O-N 3.07Å
151Q96.5Very high96.5Very high116 Ų11696.8 Ų96.854%0.54252%0.519SS..Hα-helixtrans-65-41174.4-74.1178.5-9.600112.1V147 T148 Q154 A155V147-Q151 WeakPolarHBondContact O-CG 3.35Å; V147-Q151 PolarHBondContact O-N 2.93Å; T148-Q151 PolarHBondContact O-N 2.92Å; Q151-Q154 PolarHBondContact O-N 3.24Å; Q151-A155 WeakPolarHBondContact O-CB 3.4Å; Q151-A155 PolarHBondContact O-N 3.14Å
152A95.7Very high96.5Very high46 Ų4695.9 Ų95.938%0.3851%0.514SS..Hα-helixtrans-62-49.3177.200000111.4T148 Q149 Q154 A155 E156T148-A152 WeakPolarHBondContact O-CB 3.35Å; T148-A152 PolarHBondContact O-N 3.3Å; Q149-A152 PolarHBondContact O-N 3.37Å; A152-Q154 VanDerWaalsContact C-N 3.32Å; A152-Q154 PolarHBondContact O-N 3.45Å; A152-A155 PolarHBondContact O-N 3.48Å; A152-E156 WeakPolarHBondContact O-CG 3.3Å; A152-E156 PolarHBondContact O-N 3.3Å
153T96.5Very high96.4Very high87 Ų8793 Ų9353%0.53451%0.506SS..Hα-helixtrans-63-37.1177.852.30000112.4Q149 Q150 G157Q149-T153 WeakPolarHBondContact O-CG2 3.44Å; Q149-T153 PolarHBondContact O-N 2.76Å; Q149-T153 PolarHBondContact O-OG1 3.1Å; Q149-T153 VanDerWaalsContact O-OG1 3.08Å; Q150-T153 WeakPolarHBondContact CA-OG1 3.29Å; Q150-T153 PolarHBondContact O-OG1 3.06Å; T153-G157 PolarHBondContact O-N 3.44Å; T153-G157 VanDerWaalsContact O-N 3.07Å
154Q96.9Very high96.3Very high118 Ų11896.5 Ų96.555%0.55151%0.512SS*.Hα-helixtrans-63.7-45.9173.1-176.3-179.64.600111.9Q150 Q151 A152 G157 Q158Q150-Q154 WeakPolarHBondContact O-CB 3.37Å; Q150-Q154 PolarHBondContact O-N 3.07Å; Q151-Q154 PolarHBondContact O-N 3.24Å; A152-Q154 VanDerWaalsContact C-N 3.32Å; A152-Q154 PolarHBondContact O-N 3.45Å; Q154-G157 PolarHBondContact O-N 3.21Å; Q154-Q158 WeakPolarHBondContact O-CG 3.34Å; Q154-Q158 PolarHBondContact O-N 3.14Å
155A95.5Very high96.3Very high53 Ų5398 Ų9844%0.43851%0.512SS..Hα-helixtrans-64.6-39.5179.100000112Q151 A152 Q158 L159Q151-A155 WeakPolarHBondContact O-CB 3.4Å; Q151-A155 PolarHBondContact O-N 3.14Å; A152-A155 PolarHBondContact O-N 3.48Å; A155-Q158 PolarHBondContact O-N 3.11Å; A155-L159 WeakPolarHBondContact O-CB 3.47Å; A155-L159 PolarHBondContact O-N 3.39Å
156E97.3Very high96.2Very high131 Ų131100.4 Ų100.461%0.61251%0.514SS*.Hα-helixtrans-60.9-44.1173.6-74.2173175.800111.7A152 L159 L160A152-E156 WeakPolarHBondContact O-CG 3.3Å; A152-E156 PolarHBondContact O-N 3.3Å; E156-L159 PolarHBondContact O-N 3.11Å; E156-L160 PolarHBondContact O-N 3.46Å
157G97.1Very high96Very high42 Ų4296.7 Ų96.743%0.43350%0.503SS..Hα-helixtrans-61.6-43.1175.100000112.9T153 Q154 L160 E161T153-G157 PolarHBondContact O-N 3.44Å; T153-G157 VanDerWaalsContact O-N 3.07Å; Q154-G157 PolarHBondContact O-N 3.21Å; G157-L160 PolarHBondContact O-N 2.98Å; G157-E161 PolarHBondContact O-N 2.82Å; G157-E161 VanDerWaalsContact O-N 3.11Å
158Q96.8Very high95.6Very high124 Ų12499.3 Ų99.358%0.57951%0.51SS*.Hα-helixtrans-64.5-39.7175.6-72.8-178.6-25.600112.4Q154 A155 E161 L162Q154-Q158 WeakPolarHBondContact O-CG 3.34Å; Q154-Q158 PolarHBondContact O-N 3.14Å; A155-Q158 PolarHBondContact O-N 3.11Å; Q158-E161 PolarHBondContact O-N 3.34Å; Q158-L162 WeakPolarHBondContact O-CB 3.45Å; Q158-L162 PolarHBondContact O-N 3.38Å
159L97.1Very high95.3Very high99 Ų99101.4 Ų101.452%0.51852%0.517SS..Hα-helixtrans-63.3-42.4176.8-176.763.9000111.2A155 E156 L162 Q163A155-L159 WeakPolarHBondContact O-CB 3.47Å; A155-L159 PolarHBondContact O-N 3.39Å; E156-L159 PolarHBondContact O-N 3.11Å; L159-L162 PolarHBondContact O-N 2.96Å; L159-Q163 WeakPolarHBondContact O-CB 3.34Å; L159-Q163 VanDerWaalsContact O-CG 3.25Å; L159-Q163 WeakPolarHBondContact O-CG 3.5Å; L159-Q163 PolarHBondContact O-N 3.05Å
160L97.3Very high94.7Very high121 Ų121101.8 Ų101.863%0.63452%0.519SS*.Hα-helixtrans-63.7-43.5178-169.671.3000111.7E156 G157 Q163 K164E156-L160 PolarHBondContact O-N 3.46Å; G157-L160 PolarHBondContact O-N 2.98Å; L160-Q163 PolarHBondContact O-N 2.99Å; L160-K164 PolarHBondContact O-N 2.97Å
161E96.3Very high94.1Very high88 Ų88100 Ų10041%0.41151%0.514SS..Hα-helixtrans-64.3-42.5176.8-17755.9-15200111.4G157 Q158 Q163 K164 Q165G157-E161 PolarHBondContact O-N 2.82Å; G157-E161 VanDerWaalsContact O-N 3.11Å; Q158-E161 PolarHBondContact O-N 3.34Å; E161-Q163 VanDerWaalsContact C-N 3.34Å; E161-Q163 PolarHBondContact O-N 2.99Å; E161-K164 WeakPolarHBondContact O-CB 3.44Å; E161-K164 PolarHBondContact O-N 2.89Å; E161-Q165 WeakPolarHBondContact O-CG 3.35Å; E161-Q165 PolarHBondContact O-N 3.43Å; E161-Q165 PolarHBondContact OE1-NE2 3.37Å
162L95.9Very high93.5Very high105 Ų10597.3 Ų97.355%0.5551%0.507SS..Hα-helixtrans-64.4-38.4176.5-171.8136.4000112Q158 L159 K164 Q165 R166Q158-L162 WeakPolarHBondContact O-CB 3.45Å; Q158-L162 PolarHBondContact O-N 3.38Å; L159-L162 PolarHBondContact O-N 2.96Å; L162-K164 VanDerWaalsContact C-N 3.35Å; L162-Q165 PolarHBondContact O-N 3.39Å; L162-R166 WeakPolarHBondContact O-CB 3.05Å; L162-R166 PolarHBondContact O-N 2.88Å
163Q95.8Very high92.7Very high79 Ų7997.7 Ų97.737%0.36951%0.511SS..Hα-helixtrans-63.5-40.5173.8-74.5176.74.100112L159 L160 E161 R166 S167L159-Q163 WeakPolarHBondContact O-CB 3.34Å; L159-Q163 VanDerWaalsContact O-CG 3.25Å; L159-Q163 WeakPolarHBondContact O-CG 3.5Å; L159-Q163 PolarHBondContact O-N 3.05Å; L160-Q163 PolarHBondContact O-N 2.99Å; E161-Q163 VanDerWaalsContact C-N 3.34Å; E161-Q163 PolarHBondContact O-N 2.99Å; Q163-R166 PolarHBondContact O-N 2.79Å; Q163-S167 PolarHBondContact O-N 3.49Å
164K94.4Very high91.9Very high125 Ų12596.8 Ų96.854%0.54351%0.507SS..Hα-helixtrans-63.2-48.8174.8-176.8-175174.4-169.30111.1L160 E161 L162 R166 S167 Q168L160-K164 PolarHBondContact O-N 2.97Å; E161-K164 WeakPolarHBondContact O-CB 3.44Å; E161-K164 PolarHBondContact O-N 2.89Å; L162-K164 VanDerWaalsContact C-N 3.35Å; K164-R166 VanDerWaalsContact C-N 3.34Å; K164-R166 PolarHBondContact O-N 3.02Å; K164-S167 PolarHBondContact O-N 2.78Å; K164-S167 VanDerWaalsContact O-N 3.15Å; K164-S167 PolarHBondContact O-OG 3.13Å; K164-Q168 PolarHBondContact O-N 3.4Å
165Q94.7Very high91.1Very high97 Ų9796.7 Ų96.745%0.45351%0.509SS..Hα-helixtrans-58.3-45.4176.2-71.1177.2-3.600111.8E161 L162 S167 Q168 I169E161-Q165 WeakPolarHBondContact O-CG 3.35Å; E161-Q165 PolarHBondContact O-N 3.43Å; E161-Q165 PolarHBondContact OE1-NE2 3.37Å; L162-Q165 PolarHBondContact O-N 3.39Å; Q165-S167 VanDerWaalsContact C-N 3.35Å; Q165-S167 PolarHBondContact O-N 2.93Å; Q165-Q168 PolarHBondContact O-N 2.96Å; Q165-I169 WeakPolarHBondContact O-CG1 3.31Å; Q165-I169 PolarHBondContact O-N 3.18Å
166R95Very high90.2Very high148 Ų14899.3 Ų99.356%0.55852%0.515SS*.Hα-helixtrans-56.1-47.7174.2178.9-171.764.9-179.4-1111.7L162 Q163 K164 Q168 I169 Q170L162-R166 WeakPolarHBondContact O-CB 3.05Å; L162-R166 PolarHBondContact O-N 2.88Å; Q163-R166 PolarHBondContact O-N 2.79Å; K164-R166 VanDerWaalsContact C-N 3.34Å; K164-R166 PolarHBondContact O-N 3.02Å; R166-Q168 VanDerWaalsContact C-N 3.31Å; R166-Q168 PolarHBondContact O-N 2.84Å; R166-I169 PolarHBondContact O-N 2.79Å; R166-Q170 WeakPolarHBondContact O-CB 3.39Å; R166-Q170 PolarHBondContact O-N 2.88Å
167S92Very high89.2Confident52 Ų5295.6 Ų95.636%0.36451%0.507SS..Hα-helixtrans-63-37.9179.273.70000112.3Q163 K164 Q165 Q170 N171Q163-S167 PolarHBondContact O-N 3.49Å; K164-S167 PolarHBondContact O-N 2.78Å; K164-S167 VanDerWaalsContact O-N 3.15Å; K164-S167 PolarHBondContact O-OG 3.13Å; Q165-S167 VanDerWaalsContact C-N 3.35Å; Q165-S167 PolarHBondContact O-N 2.93Å; S167-Q170 PolarHBondContact O-N 2.89Å; S167-N171 WeakPolarHBondContact O-CB 3.41Å; S167-N171 PolarHBondContact O-N 2.88Å; S167-N171 PolarHBondContact O-ND2 3.19Å
168Q88.4Confident88.3Confident130 Ų13097.5 Ų97.561%0.60751%0.514SS*.Hα-helixtrans-67.5-43.5177.7-172.9176.3-16.700111.6K164 Q165 R166 Q170 N171 S172K164-Q168 PolarHBondContact O-N 3.4Å; Q165-Q168 PolarHBondContact O-N 2.96Å; R166-Q168 VanDerWaalsContact C-N 3.31Å; R166-Q168 PolarHBondContact O-N 2.84Å; Q168-Q170 VanDerWaalsContact C-N 3.34Å; Q168-N171 PolarHBondContact O-N 2.88Å; Q168-S172 WeakPolarHBondContact O-CB 3.22Å; Q168-S172 PolarHBondContact O-N 2.75Å
169I89.3Confident87.8Confident121 Ų12199.1 Ų99.162%0.62152%0.515SS*.Hα-helixtrans-61.8-44.6174.3-67.8167.6000110.2Q165 R166 N171 S172 A173Q165-I169 WeakPolarHBondContact O-CG1 3.31Å; Q165-I169 PolarHBondContact O-N 3.18Å; R166-I169 PolarHBondContact O-N 2.79Å; I169-N171 PolarHBondContact O-N 2.77Å; I169-S172 PolarHBondContact O-N 2.94Å; I169-A173 WeakPolarHBondContact O-CB 3.47Å; I169-A173 PolarHBondContact O-N 3.22Å
170Q83.4Confident86.8Confident118 Ų11897.5 Ų97.555%0.55151%0.509SS*.Hα-helixtrans-61.8-44.8179-174.2172.8-7.100111.8R166 S167 Q168 A173 C174R166-Q170 WeakPolarHBondContact O-CB 3.39Å; R166-Q170 PolarHBondContact O-N 2.88Å; S167-Q170 PolarHBondContact O-N 2.89Å; Q168-Q170 VanDerWaalsContact C-N 3.34Å; Q170-A173 PolarHBondContact O-N 3.5Å; Q170-C174 PolarHBondContact O-N 3.4Å; Q170-C174 PolarHBondContact O-SG 3.29Å
171N84.3Confident85.7Confident100 Ų10095.4 Ų95.454%0.53550%0.504SS..Hα-helixtrans-63.8-44.2176-70.5-19.1000111.6S167 Q168 I169 A173 C174 I175S167-N171 WeakPolarHBondContact O-CB 3.41Å; S167-N171 PolarHBondContact O-N 2.88Å; S167-N171 PolarHBondContact O-ND2 3.19Å; Q168-N171 PolarHBondContact O-N 2.88Å; I169-N171 PolarHBondContact O-N 2.77Å; N171-A173 PolarHBondContact O-N 3.11Å; N171-C174 PolarHBondContact O-N 2.77Å; N171-I175 VanDerWaalsContact O-CG1 3.3Å; N171-I175 WeakPolarHBondContact O-CG1 3.33Å; N171-I175 PolarHBondContact O-N 3.01Å
172S83.8Confident84.6Confident59 Ų5992.9 Ų92.941%0.41350%0.502SS..Hα-helixtrans-60.5-45.5176.4-179.50000111.8Q168 I169 C174 I175 L176Q168-S172 WeakPolarHBondContact O-CB 3.22Å; Q168-S172 PolarHBondContact O-N 2.75Å; I169-S172 PolarHBondContact O-N 2.94Å; S172-C174 VanDerWaalsContact C-N 3.34Å; S172-C174 PolarHBondContact O-N 2.96Å; S172-I175 PolarHBondContact O-N 2.76Å; S172-L176 WeakPolarHBondContact O-CG 3.27Å; S172-L176 PolarHBondContact O-N 2.97Å
173A78.9Confident84Confident55 Ų5593.2 Ų93.246%0.45550%0.499SS..Hα-helixtrans-61.5-41.2176.600000112I169 Q170 N171 L176 A177I169-A173 WeakPolarHBondContact O-CB 3.47Å; I169-A173 PolarHBondContact O-N 3.22Å; Q170-A173 PolarHBondContact O-N 3.5Å; N171-A173 PolarHBondContact O-N 3.11Å; A173-L176 PolarHBondContact O-N 2.94Å; A173-A177 WeakPolarHBondContact O-CB 3.4Å; A173-A177 PolarHBondContact O-N 3.5Å
174C80.6Confident83.2Confident68 Ų6895.2 Ų95.246%0.45951%0.507SS..Hα-helixtrans-63.8-40.1175.5-68.10000112.3Q170 N171 S172 A177 S178Q170-C174 PolarHBondContact O-N 3.4Å; Q170-C174 PolarHBondContact O-SG 3.29Å; N171-C174 PolarHBondContact O-N 2.77Å; S172-C174 VanDerWaalsContact C-N 3.34Å; S172-C174 PolarHBondContact O-N 2.96Å; C174-A177 PolarHBondContact O-N 2.78Å; C174-S178 WeakPolarHBondContact O-CB 3.41Å; C174-S178 PolarHBondContact O-N 3.27Å; C174-S178 PolarHBondContact O-OG 3.18Å
175I79.3Confident82.6Confident116 Ų11692.6 Ų92.660%0.59550%0.504SS*.Hα-helixtrans-64-47.5176.4-69164.6000110.4N171 S172 S178 W179N171-I175 VanDerWaalsContact O-CG1 3.3Å; N171-I175 WeakPolarHBondContact O-CG1 3.33Å; N171-I175 PolarHBondContact O-N 3.01Å; S172-I175 PolarHBondContact O-N 2.76Å; I175-S178 PolarHBondContact O-N 3.02Å; I175-W179 WeakPolarHBondContact O-CB 3.45Å; I175-W179 PolarHBondContact O-N 3.11Å
176L75.7Confident81.9Confident107 Ų10791.5 Ų91.556%0.5651%0.507SS*.Hα-helixtrans-61-45.5177.4-70.7174000111.5S172 A173 S178 W179 V180S172-L176 WeakPolarHBondContact O-CG 3.27Å; S172-L176 PolarHBondContact O-N 2.97Å; A173-L176 PolarHBondContact O-N 2.94Å; L176-S178 VanDerWaalsContact C-N 3.34Å; L176-S178 PolarHBondContact O-N 3.11Å; L176-W179 PolarHBondContact O-N 3.34Å; L176-V180 WeakPolarHBondContact O-CG2 3.37Å; L176-V180 PolarHBondContact O-N 3.15Å
177A76.6Confident81.4Confident54 Ų5489.4 Ų89.445%0.44651%0.507SS..Hα-helixtrans-60.9-42.8177.400000111.9A173 C174 S181A173-A177 WeakPolarHBondContact O-CB 3.4Å; A173-A177 PolarHBondContact O-N 3.5Å; C174-A177 PolarHBondContact O-N 2.78Å; A177-S181 VanDerWaalsContact O-CB 3.28Å; A177-S181 WeakPolarHBondContact O-CB 3.3Å; A177-S181 PolarHBondContact O-N 3.23Å; A177-S181 PolarHBondContact O-OG 3.37Å
178S80Confident81Confident81 Ų8191.8 Ų91.857%0.56652%0.515SS*.Hα-helixtrans-66.5-39.1177-590000112C174 I175 L176 S181 G182C174-S178 WeakPolarHBondContact O-CB 3.41Å; C174-S178 PolarHBondContact O-N 3.27Å; C174-S178 PolarHBondContact O-OG 3.18Å; I175-S178 PolarHBondContact O-N 3.02Å; L176-S178 VanDerWaalsContact C-N 3.34Å; L176-S178 PolarHBondContact O-N 3.11Å; S178-S181 PolarHBondContact O-N 3.42Å; S178-G182 PolarHBondContact O-N 2.9Å
179W84.8Confident80.7Confident159 Ų15991 Ų9160%0.60251%0.511SS*.Hα-helixtrans-63.9-48.9176.5-178.592.4000111.7I175 L176 S181 G182 K183I175-W179 WeakPolarHBondContact O-CB 3.45Å; I175-W179 PolarHBondContact O-N 3.11Å; L176-W179 PolarHBondContact O-N 3.34Å; W179-S181 PolarHBondContact O-N 3.41Å; W179-G182 PolarHBondContact O-N 3.27Å; W179-K183 HydrophobicContact CD2-CG 4.17Å; W179-K183 HydrophobicContact CE3-CG 4.3Å; W179-K183 HydrophobicContact CH2-CG 4.1Å; W179-K183 HydrophobicContact CZ2-CD 4.4Å; W179-K183 HydrophobicContact CZ2-CG 3.97Å; W179-K183 HydrophobicContact CZ3-CG 4.27Å; W179-K183 WeakPolarHBondContact O-CG 3.47Å; W179-K183 PolarHBondContact O-N 2.77Å
180V75.6Confident80.4Confident65 Ų6587.2 Ų87.239%0.39450%0.498SS..Hα-helixtrans-57.8-51.8175.3172.90000109.1L176 G182 K183 F184L176-V180 WeakPolarHBondContact O-CG2 3.37Å; L176-V180 PolarHBondContact O-N 3.15Å; V180-G182 VanDerWaalsContact C-N 3.29Å; V180-G182 PolarHBondContact O-N 3.32Å; V180-K183 PolarHBondContact O-N 3.39Å; V180-K183 VanDerWaalsContact O-N 3.1Å; V180-F184 HydrophobicContact CG1-CD2 3.67Å; V180-F184 HydrophobicContact CG1-CE2 3.72Å; V180-F184 WeakPolarHBondContact O-CD2 3.43Å; V180-F184 PolarHBondContact O-N 3.3Å
181S75.5Confident80.5Confident76 Ų7685.4 Ų85.453%0.53149%0.492SS..Hα-helixtrans-56.7-42.6179.6-58.10000112.2A177 S178 W179 F184 S185A177-S181 VanDerWaalsContact O-CB 3.28Å; A177-S181 WeakPolarHBondContact O-CB 3.3Å; A177-S181 PolarHBondContact O-N 3.23Å; A177-S181 PolarHBondContact O-OG 3.37Å; S178-S181 PolarHBondContact O-N 3.42Å; W179-S181 PolarHBondContact O-N 3.41Å; S181-F184 PolarHBondContact O-N 2.94Å; S181-S185 VanDerWaalsContact O-CB 3.3Å; S181-S185 WeakPolarHBondContact O-CB 3.47Å; S181-S185 PolarHBondContact O-N 3.06Å
182G73.4Confident80.6Confident36 Ų3686.6 Ų86.637%0.37149%0.494SS..Hα-helixtrans-62.5-43.5176.300000112.8S178 W179 V180 S185 S186S178-G182 PolarHBondContact O-N 2.9Å; W179-G182 PolarHBondContact O-N 3.27Å; V180-G182 VanDerWaalsContact C-N 3.29Å; V180-G182 PolarHBondContact O-N 3.32Å; G182-S185 PolarHBondContact O-N 3.08Å; G182-S186 PolarHBondContact O-N 3.09Å; G182-S186 PolarHBondContact O-OG 2.9Å
183K82.1Confident80.7Confident111 Ų11189.1 Ų89.148%0.48350%0.501SS..Hα-helixtrans-63.4-46.3176.5-69.1-60.7-177.3-176.10112.2W179 V180 S185 S186 L187W179-K183 HydrophobicContact CD2-CG 4.17Å; W179-K183 HydrophobicContact CE3-CG 4.3Å; W179-K183 HydrophobicContact CH2-CG 4.1Å; W179-K183 HydrophobicContact CZ2-CD 4.4Å; W179-K183 HydrophobicContact CZ2-CG 3.97Å; W179-K183 HydrophobicContact CZ3-CG 4.27Å; W179-K183 WeakPolarHBondContact O-CG 3.47Å; W179-K183 PolarHBondContact O-N 2.77Å; V180-K183 PolarHBondContact O-N 3.39Å; V180-K183 VanDerWaalsContact O-N 3.1Å; K183-S185 VanDerWaalsContact C-N 3.33Å; K183-S185 PolarHBondContact O-N 3.34Å; K183-S186 PolarHBondContact O-N 3.41Å; K183-L187 WeakPolarHBondContact O-CG 3.46Å; K183-L187 PolarHBondContact O-N 3.14Å; K183-L187 VanDerWaalsContact O-N 3.08Å
184F80.4Confident81Confident121 Ų12191.4 Ų91.453%0.53150%0.502SS..Hα-helixtrans-64.9-37.6176.1-82.8-91.2000111.8V180 S181 S186 L187 L188V180-F184 HydrophobicContact CG1-CD2 3.67Å; V180-F184 HydrophobicContact CG1-CE2 3.72Å; V180-F184 WeakPolarHBondContact O-CD2 3.43Å; V180-F184 PolarHBondContact O-N 3.3Å; S181-F184 PolarHBondContact O-N 2.94Å; F184-S186 PolarHBondContact O-N 3.5Å; F184-L187 PolarHBondContact O-N 2.98Å; F184-L188 WeakPolarHBondContact O-CB 3.43Å; F184-L188 WeakPolarHBondContact O-CG 3.44Å; F184-L188 PolarHBondContact O-N 3.35Å
185S81.6Confident81.2Confident71 Ų7193.6 Ų93.650%0.49751%0.505SS..Hα-helixtrans-61.5-43174.6-174.70000112.2S181 G182 K183 L187 L188 Q189S181-S185 VanDerWaalsContact O-CB 3.3Å; S181-S185 WeakPolarHBondContact O-CB 3.47Å; S181-S185 PolarHBondContact O-N 3.06Å; G182-S185 PolarHBondContact O-N 3.08Å; K183-S185 VanDerWaalsContact C-N 3.33Å; K183-S185 PolarHBondContact O-N 3.34Å; S185-L187 VanDerWaalsContact C-N 3.34Å; S185-L188 PolarHBondContact O-N 3.48Å; S185-Q189 WeakPolarHBondContact O-CB 3.48Å; S185-Q189 PolarHBondContact O-N 3.1Å
186S79.5Confident81.7Confident73 Ų7391.4 Ų91.451%0.5150%0.497SS..Hα-helixtrans-64.2-38.9175.7-58.30000112.1G182 K183 F184 A190G182-S186 PolarHBondContact O-N 3.09Å; G182-S186 PolarHBondContact O-OG 2.9Å; K183-S186 PolarHBondContact O-N 3.41Å; F184-S186 PolarHBondContact O-N 3.5Å; S186-A190 WeakPolarHBondContact O-CB 3.44Å; S186-A190 PolarHBondContact O-N 2.94Å
187L84.1Confident82.2Confident105 Ų10588.3 Ų88.355%0.5549%0.487SS..Hα-helixtrans-66.1-45.6175.9-71.1172.1000111.7K183 F184 S185 Q189 A190 L191K183-L187 WeakPolarHBondContact O-CG 3.46Å; K183-L187 PolarHBondContact O-N 3.14Å; K183-L187 VanDerWaalsContact O-N 3.08Å; F184-L187 PolarHBondContact O-N 2.98Å; S185-L187 VanDerWaalsContact C-N 3.34Å; L187-Q189 VanDerWaalsContact C-N 3.35Å; L187-Q189 PolarHBondContact O-N 3.05Å; L187-A190 PolarHBondContact O-N 2.72Å; L187-L191 VanDerWaalsContact O-CG 3.32Å; L187-L191 WeakPolarHBondContact O-CG 3.42Å; L187-L191 PolarHBondContact O-N 2.62Å
188L83Confident82.7Confident101 Ų10186.8 Ų86.853%0.52948%0.475SS..Hα-helixtrans-59.5-45.6176.1-73.5169.4000111.2F184 S185 A190 L191 E192F184-L188 WeakPolarHBondContact O-CB 3.43Å; F184-L188 WeakPolarHBondContact O-CG 3.44Å; F184-L188 PolarHBondContact O-N 3.35Å; S185-L188 PolarHBondContact O-N 3.48Å; L188-A190 VanDerWaalsContact C-N 3.33Å; L188-A190 PolarHBondContact O-N 3.36Å; L188-L191 WeakPolarHBondContact O-CB 3.42Å; L188-L191 PolarHBondContact O-N 3.34Å; L188-L191 VanDerWaalsContact O-N 3.16Å; L188-E192 WeakPolarHBondContact O-CG 3.12Å; L188-E192 PolarHBondContact O-N 3.07Å
189Q83.2Confident83.1Confident113 Ų11387.5 Ų87.553%0.52847%0.472SS..Hα-helixtrans-61.2-41.4176.3-172.6-179.69.600112S185 L187 L191 E192 M193S185-Q189 WeakPolarHBondContact O-CB 3.48Å; S185-Q189 PolarHBondContact O-N 3.1Å; L187-Q189 VanDerWaalsContact C-N 3.35Å; L187-Q189 PolarHBondContact O-N 3.05Å; Q189-L191 VanDerWaalsContact C-N 3.34Å; Q189-E192 PolarHBondContact O-N 3.37Å; Q189-M193 WeakPolarHBondContact O-CG 3.35Å; Q189-M193 PolarHBondContact O-N 3.01Å
190A82.7Confident83.3Confident43 Ų4387.7 Ų87.736%0.35547%0.472SS..Hα-helixtrans-62.8-41.8175.300000111.8S186 L187 L188 M193 Q194S186-A190 WeakPolarHBondContact O-CB 3.44Å; S186-A190 PolarHBondContact O-N 2.94Å; L187-A190 PolarHBondContact O-N 2.72Å; L188-A190 VanDerWaalsContact C-N 3.33Å; L188-A190 PolarHBondContact O-N 3.36Å; A190-M193 PolarHBondContact O-N 2.83Å; A190-Q194 WeakPolarHBondContact O-CG 3.49Å; A190-Q194 PolarHBondContact O-N 2.89Å
191L85.6Confident83.9Confident79 Ų7987.9 Ų87.941%0.41448%0.477SS..Hα-helixtrans-65-40.6175.7-69.4171.9000112L187 L188 Q189 Q194 H195 L283L187-L191 VanDerWaalsContact O-CG 3.32Å; L187-L191 WeakPolarHBondContact O-CG 3.42Å; L187-L191 PolarHBondContact O-N 2.62Å; L188-L191 WeakPolarHBondContact O-CB 3.42Å; L188-L191 PolarHBondContact O-N 3.34Å; L188-L191 VanDerWaalsContact O-N 3.16Å; Q189-L191 VanDerWaalsContact C-N 3.34Å; L191-Q194 PolarHBondContact O-N 2.61Å; L191-H195 WeakPolarHBondContact O-CB 3.3Å; L191-H195 PolarHBondContact O-N 2.92Å; L191-L283 HydrophobicContact CD2-CD1 3.67Å
192E87Confident84.5Confident126 Ų12686.7 Ų86.759%0.58946%0.464SS*.Hα-helixtrans-62.8-41.3174.7-75.5173.6179.700112L188 Q189 Q194 H195 T196L188-E192 WeakPolarHBondContact O-CG 3.12Å; L188-E192 PolarHBondContact O-N 3.07Å; Q189-E192 PolarHBondContact O-N 3.37Å; E192-Q194 VanDerWaalsContact C-N 3.35Å; E192-H195 PolarHBondContact O-N 2.85Å; E192-T196 WeakPolarHBondContact O-CG2 3.31Å; E192-T196 PolarHBondContact O-N 3.38Å; E192-T196 PolarHBondContact O-OG1 2.83Å
193M84.3Confident85.3Confident111 Ų11189.3 Ų89.355%0.54747%0.469SS..Hα-helixtrans-63-41.1173.6-71.9-169.8-62.700111.8Q189 A190 T196 A197Q189-M193 WeakPolarHBondContact O-CG 3.35Å; Q189-M193 PolarHBondContact O-N 3.01Å; A190-M193 PolarHBondContact O-N 2.83Å; M193-T196 PolarHBondContact O-OG1 3.48Å; M193-A197 VanDerWaalsContact O-CB 3.31Å; M193-A197 WeakPolarHBondContact O-CB 3.35Å; M193-A197 PolarHBondContact O-N 3.11Å
194Q86.6Confident85.7Confident103 Ų10388.4 Ų88.448%0.48147%0.473SS..Hα-helixtrans-66.2-42.3175.6-71-60.8-35.200112.1A190 L191 E192 A197 A198 L279A190-Q194 WeakPolarHBondContact O-CG 3.49Å; A190-Q194 PolarHBondContact O-N 2.89Å; L191-Q194 PolarHBondContact O-N 2.61Å; E192-Q194 VanDerWaalsContact C-N 3.35Å; Q194-A197 PolarHBondContact O-N 3.29Å; Q194-A198 WeakPolarHBondContact O-CB 3.48Å; Q194-A198 PolarHBondContact O-N 2.83Å; Q194-L279 HydrophobicContact CG-CD2 4.5Å
195H85.2Confident86.1Confident115 Ų11583 Ų8353%0.53245%0.45SS..Hα-helixtrans-58.2-49.9175.3170.3-99.2000111.6L191 E192 A197 A198 L199L191-H195 WeakPolarHBondContact O-CB 3.3Å; L191-H195 PolarHBondContact O-N 2.92Å; E192-H195 PolarHBondContact O-N 2.85Å; H195-A197 PolarHBondContact O-N 3.4Å; H195-A198 PolarHBondContact O-N 2.91Å; H195-L199 VanDerWaalsContact CE1-CD1 3.42Å; H195-L199 WeakPolarHBondContact CE1-CD1 3.46Å; H195-L199 PolarHBondContact O-N 2.74Å; H195-L199 VanDerWaalsContact O-N 3.09Å
196T88.4Confident86.5Confident70 Ų7084.6 Ų84.643%0.42945%0.448SS..Hα-helixtrans-65.9-36.417953.10000112.7E192 M193 R200E192-T196 WeakPolarHBondContact O-CG2 3.31Å; E192-T196 PolarHBondContact O-N 3.38Å; E192-T196 PolarHBondContact O-OG1 2.83Å; M193-T196 PolarHBondContact O-OG1 3.48Å; T196-R200 WeakPolarHBondContact O-CB 3.32Å; T196-R200 PolarHBondContact O-N 2.94Å; T196-R200 VanDerWaalsContact O-N 3.13Å
197A87.3Confident87.1Confident41 Ų4184.9 Ų84.934%0.33945%0.447SS..Hα-helixtrans-64.8-43.4174.400000112.2M193 Q194 H195 R200 S201M193-A197 VanDerWaalsContact O-CB 3.31Å; M193-A197 WeakPolarHBondContact O-CB 3.35Å; M193-A197 PolarHBondContact O-N 3.11Å; Q194-A197 PolarHBondContact O-N 3.29Å; H195-A197 PolarHBondContact O-N 3.4Å; A197-R200 PolarHBondContact O-N 2.87Å; A197-S201 PolarHBondContact O-N 2.95Å
198A87.2Confident87.5Confident23 Ų2387.4 Ų87.419%0.1945%0.449CS..Hα-helixtrans-62.6-47.4178.500000112Q194 H195 R200 S201 I202 L276Q194-A198 WeakPolarHBondContact O-CB 3.48Å; Q194-A198 PolarHBondContact O-N 2.83Å; H195-A198 PolarHBondContact O-N 2.91Å; A198-R200 VanDerWaalsContact C-N 3.31Å; A198-R200 PolarHBondContact O-N 3.38Å; A198-S201 WeakPolarHBondContact O-CB 3.27Å; A198-S201 PolarHBondContact O-N 2.82Å; A198-S201 VanDerWaalsContact O-N 3.16Å; A198-I202 WeakPolarHBondContact O-CG1 3.18Å; A198-I202 PolarHBondContact O-N 2.9Å; A198-I202 VanDerWaalsContact O-N 3.08Å; A198-L276 HydrophobicContact CB-CD1 4.47Å; A198-L276 HydrophobicContact CB-CD2 3.93Å
199L88.1Confident87.9Confident96 Ų9683.3 Ų83.350%0.50343%0.429SS..Hα-helixtrans-60.2-41.4176.6-71.1-180000112.1H195 S201 I202 D203H195-L199 VanDerWaalsContact CE1-CD1 3.42Å; H195-L199 WeakPolarHBondContact CE1-CD1 3.46Å; H195-L199 PolarHBondContact O-N 2.74Å; H195-L199 VanDerWaalsContact O-N 3.09Å; L199-S201 VanDerWaalsContact C-N 3.33Å; L199-S201 PolarHBondContact O-N 2.89Å; L199-I202 PolarHBondContact O-N 2.82Å; L199-D203 PolarHBondContact O-N 2.91Å
200R89.4Confident88.4Confident162 Ų16281.8 Ų81.861%0.61142%0.424SS*.Hα-helixtrans-63-40.5176.2-167-173.6-55.5133.86.3111.7T196 A197 A198 D203 V204T196-R200 WeakPolarHBondContact O-CB 3.32Å; T196-R200 PolarHBondContact O-N 2.94Å; T196-R200 VanDerWaalsContact O-N 3.13Å; A197-R200 PolarHBondContact O-N 2.87Å; A198-R200 VanDerWaalsContact C-N 3.31Å; A198-R200 PolarHBondContact O-N 3.38Å; R200-D203 PolarHBondContact O-N 3.15Å; R200-V204 VanDerWaalsContact O-CG2 3.29Å; R200-V204 WeakPolarHBondContact O-CG2 3.46Å; R200-V204 PolarHBondContact O-N 3.38Å
201S88.1Confident88.8Confident70 Ų7081.7 Ų81.749%0.4942%0.423SS..Hα-helixtrans-60-45.6176.5-169.80000111.7A197 A198 L199 D203 V204 A205A197-S201 PolarHBondContact O-N 2.95Å; A198-S201 WeakPolarHBondContact O-CB 3.27Å; A198-S201 PolarHBondContact O-N 2.82Å; A198-S201 VanDerWaalsContact O-N 3.16Å; L199-S201 VanDerWaalsContact C-N 3.33Å; L199-S201 PolarHBondContact O-N 2.89Å; S201-D203 PolarHBondContact O-N 2.92Å; S201-V204 PolarHBondContact O-N 3.4Å; S201-A205 WeakPolarHBondContact O-CB 3.35Å; S201-A205 PolarHBondContact O-N 3.33Å
202I87.8Confident89.1Confident51 Ų5182.6 Ų82.626%0.26243%0.425SS..Hα-helixtrans-60.5-45.3176.7-65.6168.5000110.9A198 L199 A205 K206 W267 L273A198-I202 WeakPolarHBondContact O-CG1 3.18Å; A198-I202 PolarHBondContact O-N 2.9Å; A198-I202 VanDerWaalsContact O-N 3.08Å; L199-I202 PolarHBondContact O-N 2.82Å; I202-A205 PolarHBondContact O-N 3.07Å; I202-K206 VanDerWaalsContact O-CB 3.28Å; I202-K206 WeakPolarHBondContact O-CB 3.43Å; I202-K206 PolarHBondContact O-N 2.85Å; I202-W267 HydrophobicContact CG2-CH2 4.4Å; I202-L273 HydrophobicContact CD1-CD2 4.36Å
203D89.4Confident89.3Confident90 Ų9078 Ų7848%0.48141%0.409SS..Hα-helixtrans-65.5-40-179.7-170.764.9000112.6L199 R200 S201 K206 T207L199-D203 PolarHBondContact O-N 2.91Å; R200-D203 PolarHBondContact O-N 3.15Å; S201-D203 PolarHBondContact O-N 2.92Å; D203-K206 PolarHBondContact O-N 3.47Å; D203-T207 WeakPolarHBondContact O-CB 3.46Å; D203-T207 PolarHBondContact O-N 3.5Å; D203-T207 PolarHBondContact O-OG1 3.33Å
204V89.9Confident89.8Confident93 Ų9380.9 Ų80.956%0.56441%0.413SS*.Hα-helixtrans-63.7-46.7174.1170.20000110.9R200 S201 K206 T207 R208R200-V204 VanDerWaalsContact O-CG2 3.29Å; R200-V204 WeakPolarHBondContact O-CG2 3.46Å; R200-V204 PolarHBondContact O-N 3.38Å; S201-V204 PolarHBondContact O-N 3.4Å; V204-K206 PolarHBondContact O-N 2.86Å; V204-T207 PolarHBondContact O-N 3.47Å; V204-R208 WeakPolarHBondContact O-CB 3.34Å; V204-R208 PolarHBondContact O-N 2.81Å
205A89.3Confident90.1Very high7 Ų780.9 Ų80.96%0.05842%0.417CS..Hα-helixtrans-61.3-45.3177.800000111.5S201 I202 R208 V209 W267 Q272S201-A205 WeakPolarHBondContact O-CB 3.35Å; S201-A205 PolarHBondContact O-N 3.33Å; I202-A205 PolarHBondContact O-N 3.07Å; A205-R208 PolarHBondContact O-N 3.04Å; A205-V209 WeakPolarHBondContact O-CG2 3.32Å; A205-V209 PolarHBondContact O-N 2.97Å; A205-W267 HydrophobicContact CB-CZ3 4.18Å; A205-Q272 VanDerWaalsContact CB-OE1 3.3Å
206K90.5Very high90.4Very high105 Ų10576.9 Ų76.946%0.45740%0.398SS..Hα-helixtrans-59.1-49.5175.9174.8-173.4169.7-173.70111I202 D203 V204 R208 V209 L210 W267I202-K206 VanDerWaalsContact O-CB 3.28Å; I202-K206 WeakPolarHBondContact O-CB 3.43Å; I202-K206 PolarHBondContact O-N 2.85Å; D203-K206 PolarHBondContact O-N 3.47Å; V204-K206 PolarHBondContact O-N 2.86Å; K206-R208 VanDerWaalsContact C-N 3.28Å; K206-R208 PolarHBondContact O-N 3.36Å; K206-V209 PolarHBondContact O-N 3.36Å; K206-L210 HydrophobicContact CD-CD1 4.48Å; K206-L210 HydrophobicContact CG-CD1 3.86Å; K206-L210 HydrophobicContact CG-CG 4.37Å; K206-L210 WeakPolarHBondContact O-CB 3.28Å; K206-L210 WeakPolarHBondContact O-CG 3.41Å; K206-L210 PolarHBondContact O-N 2.88Å; K206-W267 HydrophobicContact CB-CH2 4.04Å; K206-W267 HydrophobicContact CB-CZ3 4.04Å
207T92.4Very high90.6Very high79 Ų7978.3 Ų78.349%0.48540%0.4SS..Hα-helixtrans-60.8-39.8-179.4-60.40000111.3D203 V204 L210 A211D203-T207 WeakPolarHBondContact O-CB 3.46Å; D203-T207 PolarHBondContact O-N 3.5Å; D203-T207 PolarHBondContact O-OG1 3.33Å; V204-T207 PolarHBondContact O-N 3.47Å; T207-L210 PolarHBondContact O-N 3.09Å; T207-A211 WeakPolarHBondContact O-CB 3.47Å; T207-A211 PolarHBondContact O-N 2.74Å
208R91.6Very high91Very high157 Ų15783.2 Ų83.259%0.59242%0.416SS*.Hα-helixtrans-62.4-48.6175.8-175.5-179.467.5-175.4-0.2112.3V204 A205 K206 A211 Q212V204-R208 WeakPolarHBondContact O-CB 3.34Å; V204-R208 PolarHBondContact O-N 2.81Å; A205-R208 PolarHBondContact O-N 3.04Å; K206-R208 VanDerWaalsContact C-N 3.28Å; K206-R208 PolarHBondContact O-N 3.36Å; R208-A211 PolarHBondContact O-N 2.93Å; R208-Q212 WeakPolarHBondContact O-CG 3.37Å; R208-Q212 PolarHBondContact O-N 2.91Å; R208-Q212 VanDerWaalsContact O-N 3.08Å
209V92.1Very high91.3Very high16 Ų1686.8 Ų86.810%0.09743%0.425CS..Hα-helixtrans-66.3-39.3179.7175.40000111.1A205 K206 Q212 A213 L265 W267A205-V209 WeakPolarHBondContact O-CG2 3.32Å; A205-V209 PolarHBondContact O-N 2.97Å; K206-V209 PolarHBondContact O-N 3.36Å; V209-Q212 PolarHBondContact O-N 2.96Å; V209-A213 PolarHBondContact O-N 3.37Å; V209-L265 HydrophobicContact CG1-CB 4.26Å; V209-L265 HydrophobicContact CG1-CD2 4.21Å; V209-W267 HydrophobicContact CG2-CE3 4.18Å
210L92.7Very high91.5Very high80 Ų8084.5 Ų84.542%0.41941%0.413SS..Hα-helixtrans-67.7-33.5175.6-70.2178000112.8K206 T207 A213 R214K206-L210 HydrophobicContact CD-CD1 4.48Å; K206-L210 HydrophobicContact CG-CD1 3.86Å; K206-L210 HydrophobicContact CG-CG 4.37Å; K206-L210 WeakPolarHBondContact O-CB 3.28Å; K206-L210 WeakPolarHBondContact O-CG 3.41Å; K206-L210 PolarHBondContact O-N 2.88Å; T207-L210 PolarHBondContact O-N 3.09Å; L210-A213 PolarHBondContact O-N 3.08Å; L210-R214 WeakPolarHBondContact O-CG 3.43Å; L210-R214 PolarHBondContact O-N 3.05Å
211A91.9Very high91.8Very high42 Ų4283.5 Ų83.535%0.34741%0.409SS..Hα-helixtrans-64.7-46172.800000111.1T207 R208 A213 R214 D215T207-A211 WeakPolarHBondContact O-CB 3.47Å; T207-A211 PolarHBondContact O-N 2.74Å; R208-A211 PolarHBondContact O-N 2.93Å; A211-A213 VanDerWaalsContact C-N 3.28Å; A211-A213 PolarHBondContact O-N 3.06Å; A211-R214 WeakPolarHBondContact O-CB 3.24Å; A211-R214 PolarHBondContact O-N 3.45Å; A211-R214 VanDerWaalsContact O-N 3.1Å; A211-D215 PolarHBondContact O-N 3.4Å
212Q92.6Very high92.1Very high97 Ų9781.7 Ų81.745%0.45340%0.402SS..Hα-helixtrans-58-41.1174.3-70.2174.2-21.100112.2R208 V209 R214 D215 E216 L265R208-Q212 WeakPolarHBondContact O-CG 3.37Å; R208-Q212 PolarHBondContact O-N 2.91Å; R208-Q212 VanDerWaalsContact O-N 3.08Å; V209-Q212 PolarHBondContact O-N 2.96Å; Q212-R214 VanDerWaalsContact C-N 3.34Å; Q212-R214 PolarHBondContact O-N 3.32Å; Q212-D215 PolarHBondContact O-N 3.3Å; Q212-E216 PolarHBondContact O-N 2.92Å; Q212-L265 HydrophobicContact CB-CD2 4.05Å
213A91.6Very high92.4Very high30 Ų3081.7 Ų81.725%0.24840%0.4CS..Hα-helixtrans-62.4-41176.200000112.1V209 L210 A211 E216 E217 L265V209-A213 PolarHBondContact O-N 3.37Å; L210-A213 PolarHBondContact O-N 3.08Å; A211-A213 VanDerWaalsContact C-N 3.28Å; A211-A213 PolarHBondContact O-N 3.06Å; A213-E216 PolarHBondContact O-N 3.4Å; A213-E217 WeakPolarHBondContact O-CB 3.41Å; A213-E217 PolarHBondContact O-N 2.93Å; A213-L265 HydrophobicContact CB-CD1 3.69Å; A213-L265 HydrophobicContact CB-CD2 3.92Å; A213-L265 HydrophobicContact CB-CG 4.47Å
214R93.4Very high92.6Very high171 Ų17183.1 Ų83.165%0.64541%0.408SS*.Hα-helixtrans-66.5-42.3177-72.5171-176.9172.41.5112.3L210 A211 Q212 E216 E217 Q218L210-R214 WeakPolarHBondContact O-CG 3.43Å; L210-R214 PolarHBondContact O-N 3.05Å; A211-R214 WeakPolarHBondContact O-CB 3.24Å; A211-R214 PolarHBondContact O-N 3.45Å; A211-R214 VanDerWaalsContact O-N 3.1Å; Q212-R214 VanDerWaalsContact C-N 3.34Å; Q212-R214 PolarHBondContact O-N 3.32Å; R214-E216 VanDerWaalsContact C-N 3.31Å; R214-E216 PolarHBondContact O-N 2.83Å; R214-E217 PolarHBondContact O-N 2.94Å; R214-Q218 WeakPolarHBondContact O-CB 3.33Å; R214-Q218 PolarHBondContact O-N 3.15Å
215D92.3Very high92.8Very high104 Ų10483.3 Ų83.356%0.55640%0.402SS*.Hα-helixtrans-61.9-42.3177.8-66.9-19.4000110.8A211 Q212 Q218 R219A211-D215 PolarHBondContact O-N 3.4Å; Q212-D215 PolarHBondContact O-N 3.3Å; D215-Q218 PolarHBondContact O-N 3.49Å; D215-R219 WeakPolarHBondContact O-CB 3.32Å; D215-R219 PolarHBondContact O-N 3.02Å
216E92.5Very high93.1Very high30 Ų3084.2 Ų84.214%0.1441%0.41CS..Hα-helixtrans-69.7-39.3177.6-159.875148.300111.8Q212 A213 R214 Q218 R219 L220 L262 T263Q212-E216 PolarHBondContact O-N 2.92Å; A213-E216 PolarHBondContact O-N 3.4Å; R214-E216 VanDerWaalsContact C-N 3.31Å; R214-E216 PolarHBondContact O-N 2.83Å; E216-Q218 VanDerWaalsContact C-N 3.33Å; E216-Q218 PolarHBondContact O-N 2.73Å; E216-R219 VanDerWaalsContact CD-CZ 3.41Å; E216-R219 WeakPolarHBondContact O-CB 3.44Å; E216-R219 PolarHBondContact O-N 2.99Å; E216-R219 IonicContact OE1-CZ 3.36Å; E216-R219 IonicContact OE1-NH1 3.77Å; E216-R219 PolarHBondContact OE1-NH1 2.88Å; E216-R219 IonicContact OE1-NH2 3.48Å; E216-R219 PolarHBondContact OE1-NH2 2.84Å; E216-R219 WeakPolarHBondContact OE2-CD 3.28Å; E216-R219 IonicContact OE2-CZ 2.7Å; E216-R219 IonicContact OE2-NE 3.2Å; E216-R219 PolarHBondContact OE2-NE 3.22Å; E216-R219 IonicContact OE2-NH1 3.82Å; E216-R219 PolarHBondContact OE2-NH1 3.3Å; E216-L220 VanDerWaalsContact O-CG 3.3Å; E216-L220 WeakPolarHBondContact O-CG 3.43Å; E216-L220 PolarHBondContact O-N 2.82Å; E216-L262 HydrophobicContact CG-CD2 4.42Å; E216-T263 WeakPolarHBondContact OE1-CB 3.32Å; E216-T263 PolarHBondContact OE1-N 3.07Å; E216-T263 PolarHBondContact OE1-OG1 2.92Å
217E93.1Very high93.2Very high101 Ų10182.6 Ų82.647%0.47241%0.409SS..Hα-helixtrans-58.9-45172.4-170.3-170.2163.800111.4A213 R214 L220 R221A213-E217 WeakPolarHBondContact O-CB 3.41Å; A213-E217 PolarHBondContact O-N 2.93Å; R214-E217 PolarHBondContact O-N 2.94Å; E217-L220 PolarHBondContact O-N 3.09Å; E217-R221 WeakPolarHBondContact O-CB 3.03Å; E217-R221 PolarHBondContact O-N 3.13Å; E217-R221 IonicContact OE1-CZ 3.78Å; E217-R221 IonicContact OE1-NH2 3.52Å; E217-R221 PolarHBondContact OE1-NH2 3.32Å
218Q94.1Very high93.3Very high143 Ų14381.5 Ų81.567%0.66841%0.408SS*.Hα-helixtrans-65.7-38.7178.7-171.2170.8-7.300111.7R214 D215 E216 R221 G222R214-Q218 WeakPolarHBondContact O-CB 3.33Å; R214-Q218 PolarHBondContact O-N 3.15Å; D215-Q218 PolarHBondContact O-N 3.49Å; E216-Q218 VanDerWaalsContact C-N 3.33Å; E216-Q218 PolarHBondContact O-N 2.73Å; Q218-R221 PolarHBondContact O-N 3.46Å; Q218-G222 PolarHBondContact O-N 3.48Å
219R93.6Very high93.5Very high98 Ų9881.4 Ų81.437%0.3741%0.407SS..Hα-helixtrans-58.6-48.8173.2-171.5-17194.6-173.48.8111.5D215 E216 H223 G260 P261D215-R219 WeakPolarHBondContact O-CB 3.32Å; D215-R219 PolarHBondContact O-N 3.02Å; E216-R219 VanDerWaalsContact CD-CZ 3.41Å; E216-R219 WeakPolarHBondContact O-CB 3.44Å; E216-R219 PolarHBondContact O-N 2.99Å; E216-R219 IonicContact OE1-CZ 3.36Å; E216-R219 IonicContact OE1-NH1 3.77Å; E216-R219 PolarHBondContact OE1-NH1 2.88Å; E216-R219 IonicContact OE1-NH2 3.48Å; E216-R219 PolarHBondContact OE1-NH2 2.84Å; E216-R219 WeakPolarHBondContact OE2-CD 3.28Å; E216-R219 IonicContact OE2-CZ 2.7Å; E216-R219 IonicContact OE2-NE 3.2Å; E216-R219 PolarHBondContact OE2-NE 3.22Å; E216-R219 IonicContact OE2-NH1 3.82Å; E216-R219 PolarHBondContact OE2-NH1 3.3Å; R219-H223 PolarHBondContact O-N 2.96Å; R219-H223 VanDerWaalsContact O-N 3.09Å; R219-G260 PolarHBondContact NH2-O 3.33Å; R219-P261 PolarHBondContact NH2-O 3.08Å
220L93.3Very high93.5Very high49 Ų4982.5 Ų82.526%0.25741%0.411SS..Hα-helixtrans-64.3-44.3179.7-66.5174.7000111.5E216 E217 H223 L224 L259 L262E216-L220 VanDerWaalsContact O-CG 3.3Å; E216-L220 WeakPolarHBondContact O-CG 3.43Å; E216-L220 PolarHBondContact O-N 2.82Å; E217-L220 PolarHBondContact O-N 3.09Å; L220-H223 PolarHBondContact O-N 3.16Å; L220-L224 WeakPolarHBondContact O-CG 3.42Å; L220-L224 PolarHBondContact O-N 3.39Å; L220-L259 HydrophobicContact CD2-CD1 3.91Å; L220-L259 HydrophobicContact CD2-CD2 3.79Å; L220-L259 HydrophobicContact CD2-CG 4.36Å; L220-L262 HydrophobicContact CD1-CD2 3.63Å; L220-L262 HydrophobicContact CD2-CD2 4Å; L220-L262 HydrophobicContact CG-CD2 4.28Å
221R95Very high93.5Very high140 Ų14080.1 Ų80.153%0.52841%0.406SS..Hα-helixtrans-61.8-45.8178.6-166-180-64.7-175.90.7111.5E217 Q218 H223 L224 E225E217-R221 WeakPolarHBondContact O-CB 3.03Å; E217-R221 PolarHBondContact O-N 3.13Å; E217-R221 IonicContact OE1-CZ 3.78Å; E217-R221 IonicContact OE1-NH2 3.52Å; E217-R221 PolarHBondContact OE1-NH2 3.32Å; Q218-R221 PolarHBondContact O-N 3.46Å; R221-H223 VanDerWaalsContact C-N 3.28Å; R221-H223 PolarHBondContact O-N 3.34Å; R221-L224 PolarHBondContact O-N 3.34Å; R221-E225 WeakPolarHBondContact O-CG 3.29Å; R221-E225 PolarHBondContact O-N 2.88Å
222G94.4Very high93.6Very high33 Ų3381.2 Ų81.234%0.3441%0.41SS..Hα-helixtrans-61.3-36.1176.200000113Q218 A226Q218-G222 PolarHBondContact O-N 3.48Å; G222-A226 PolarHBondContact O-N 3.36Å
223H94.1Very high93.6Very high50 Ų5081.8 Ų81.823%0.23141%0.408CS..Hα-helixtrans-69.1-44.2174.6-174.276.5000112.3R219 L220 R221 E225 A226 V227 G257 L259R219-H223 PolarHBondContact O-N 2.96Å; R219-H223 VanDerWaalsContact O-N 3.09Å; L220-H223 PolarHBondContact O-N 3.16Å; R221-H223 VanDerWaalsContact C-N 3.28Å; R221-H223 PolarHBondContact O-N 3.34Å; H223-E225 VanDerWaalsContact C-N 3.29Å; H223-E225 PolarHBondContact O-N 3.19Å; H223-A226 PolarHBondContact O-N 3.35Å; H223-A226 VanDerWaalsContact O-N 3.12Å; H223-V227 WeakPolarHBondContact O-CG2 3.39Å; H223-V227 PolarHBondContact O-N 3.44Å; H223-G257 PolarHBondContact CE1-O 3.22Å; H223-L259 HydrophobicContact CB-CD1 3.64Å; H223-L259 WeakPolarHBondContact CD2-CD1 3.46Å
224L94.1Very high93.6Very high121 Ų12183.4 Ų83.463%0.63441%0.412SS*.Hα-helixtrans-57.3-43.1175.1-74.6171.6000111.6L220 R221 V227 A228L220-L224 WeakPolarHBondContact O-CG 3.42Å; L220-L224 PolarHBondContact O-N 3.39Å; R221-L224 PolarHBondContact O-N 3.34Å; L224-V227 PolarHBondContact O-N 2.92Å; L224-A228 WeakPolarHBondContact O-CB 3.29Å; L224-A228 PolarHBondContact O-N 3.17Å
225E95.3Very high93.6Very high96 Ų9681 Ų8145%0.44941%0.409SS..Hα-helixtrans-63.5-40.5175.3-71.3174.2-16400112.5R221 H223 A228 R229R221-E225 WeakPolarHBondContact O-CG 3.29Å; R221-E225 PolarHBondContact O-N 2.88Å; H223-E225 VanDerWaalsContact C-N 3.29Å; H223-E225 PolarHBondContact O-N 3.19Å; E225-A228 PolarHBondContact O-N 3.09Å; E225-R229 WeakPolarHBondContact O-CB 3.31Å; E225-R229 WeakPolarHBondContact O-CG 3.34Å; E225-R229 PolarHBondContact O-N 3.23Å; E225-R229 IonicContact OE2-NH1 2.61Å
226A93.9Very high93.6Very high27 Ų2781.1 Ų81.122%0.22341%0.406CS..Hα-helixtrans-64.5-42176.900000112G222 H223 H230 P256G222-A226 PolarHBondContact O-N 3.36Å; H223-A226 PolarHBondContact O-N 3.35Å; H223-A226 VanDerWaalsContact O-N 3.12Å; A226-H230 WeakPolarHBondContact O-CB 3.49Å; A226-H230 PolarHBondContact O-N 3.05Å; A226-P256 HydrophobicContact CB-CB 4.44Å; A226-P256 HydrophobicContact CB-CG 4.4Å
227V94.3Very high93.5Very high70 Ų7080.2 Ų80.242%0.42440%0.402SS..Hα-helixtrans-66-43.6175.5174.20000111.1H223 L224 H230 G231 P256H223-V227 WeakPolarHBondContact O-CG2 3.39Å; H223-V227 PolarHBondContact O-N 3.44Å; L224-V227 PolarHBondContact O-N 2.92Å; V227-H230 PolarHBondContact O-N 3.43Å; V227-G231 PolarHBondContact O-N 2.89Å; V227-P256 HydrophobicContact CG2-CB 4.31Å; V227-P256 HydrophobicContact CG2-CG 4.18Å
228A94.3Very high93.4Very high57 Ų5781.4 Ų81.447%0.47141%0.411SS..Hα-helixtrans-60.7-47.1176.300000111.7L224 E225 H230 G231 C232L224-A228 WeakPolarHBondContact O-CB 3.29Å; L224-A228 PolarHBondContact O-N 3.17Å; E225-A228 PolarHBondContact O-N 3.09Å; A228-H230 VanDerWaalsContact C-N 3.32Å; A228-H230 PolarHBondContact O-N 3.5Å; A228-G231 PolarHBondContact O-N 3.26Å; A228-C232 PolarHBondContact O-N 3.38Å; A228-C232 PolarHBondContact O-SG 3.49Å; A228-C232 VanDerWaalsContact O-SG 3.38Å
229R94.1Very high93.4Very high154 Ų15482.2 Ų82.258%0.58142%0.415SS*.Hα-helixtrans-59-42.9175.6-76.3-171-62.1-98.8-0.3112.2E225 C232 R233E225-R229 WeakPolarHBondContact O-CB 3.31Å; E225-R229 WeakPolarHBondContact O-CG 3.34Å; E225-R229 PolarHBondContact O-N 3.23Å; E225-R229 IonicContact OE2-NH1 2.61Å; R229-C232 PolarHBondContact O-N 3.25Å; R229-R233 PolarHBondContact O-N 3.43Å
230H93.5Very high93.2Very high39 Ų3980.8 Ų80.818%0.18141%0.412CS..Hα-helixtrans-64.3-42.2177-171.571.9000111.6A226 V227 A228 R233 I234 L253 Q254 P255 P256A226-H230 WeakPolarHBondContact O-CB 3.49Å; A226-H230 PolarHBondContact O-N 3.05Å; V227-H230 PolarHBondContact O-N 3.43Å; A228-H230 VanDerWaalsContact C-N 3.32Å; A228-H230 PolarHBondContact O-N 3.5Å; H230-R233 PolarHBondContact O-N 2.97Å; H230-I234 WeakPolarHBondContact O-CG1 3.47Å; H230-I234 PolarHBondContact O-N 3.39Å; H230-L253 WeakPolarHBondContact CE1-CD2 3.5Å; H230-Q254 VanDerWaalsContact CE1-C 3.47Å; H230-Q254 PolarHBondContact CE1-O 2.84Å; H230-Q254 PolarHBondContact ND1-O 3.49Å; H230-P255 VanDerWaalsContact CE1-CA 3.48Å; H230-P255 WeakPolarHBondContact CE1-CA 3.3Å; H230-P256 HydrophobicContact CB-CG 3.89Å
231G93Very high93Very high30 Ų3085.1 Ų85.131%0.30944%0.44SS..Hα-helixtrans-58.9-46.3174.400000113.1V227 A228 R233 I234 Q235V227-G231 PolarHBondContact O-N 2.89Å; A228-G231 PolarHBondContact O-N 3.26Å; G231-R233 VanDerWaalsContact C-N 3.34Å; G231-R233 PolarHBondContact O-N 3.04Å; G231-I234 PolarHBondContact O-N 2.94Å; G231-Q235 PolarHBondContact O-N 3.46Å
232C93.2Very high92.9Very high65 Ų6582.3 Ų82.344%0.43944%0.436SS..Hα-helixtrans-60-43.7174.9-64.90000111.7A228 R229 I234 Q235 E236A228-C232 PolarHBondContact O-N 3.38Å; A228-C232 PolarHBondContact O-SG 3.49Å; A228-C232 VanDerWaalsContact O-SG 3.38Å; R229-C232 PolarHBondContact O-N 3.25Å; C232-I234 VanDerWaalsContact C-N 3.31Å; C232-I234 PolarHBondContact O-N 3.04Å; C232-Q235 WeakPolarHBondContact O-CB 3.32Å; C232-Q235 PolarHBondContact O-N 2.84Å; C232-Q235 VanDerWaalsContact O-N 3.12Å; C232-E236 WeakPolarHBondContact O-CG 3.42Å; C232-E236 PolarHBondContact O-N 3.16Å
233R92.1Very high92.6Very high109 Ų10988.4 Ų88.441%0.41146%0.455SS..Hα-helixtrans-63.4-37.1179.5-162.567174.1-179.64.2112.5R229 H230 G231 E236 L237 E249 L253R229-R233 PolarHBondContact O-N 3.43Å; H230-R233 PolarHBondContact O-N 2.97Å; G231-R233 VanDerWaalsContact C-N 3.34Å; G231-R233 PolarHBondContact O-N 3.04Å; R233-E236 WeakPolarHBondContact CD-OE2 3.42Å; R233-E236 IonicContact NH1-OE2 3.65Å; R233-E236 PolarHBondContact NH1-OE2 2.97Å; R233-L237 WeakPolarHBondContact O-CG 3.32Å; R233-L237 PolarHBondContact O-N 3.38Å; R233-L237 VanDerWaalsContact O-N 3.1Å; R233-E249 IonicContact CZ-OE2 2.71Å; R233-E249 IonicContact NE-OE2 3.77Å; R233-E249 IonicContact NH2-OE1 2.83Å; R233-E249 IonicContact NH2-OE2 3.63Å; R233-E249 PolarHBondContact NH2-OE2 3.44Å; R233-L253 HydrophobicContact CB-CD1 4.08Å; R233-L253 HydrophobicContact CG-CD1 3.46Å; R233-L253 VanDerWaalsContact CG-CD1 3.46Å
234I92.7Very high92.4Very high64 Ų6493.5 Ų93.533%0.32848%0.479SS..Hα-helixtrans-63.2-46.5172.4-68.2169.3000110.2H230 G231 C232 L237 L238 L253H230-I234 WeakPolarHBondContact O-CG1 3.47Å; H230-I234 PolarHBondContact O-N 3.39Å; G231-I234 PolarHBondContact O-N 2.94Å; C232-I234 VanDerWaalsContact C-N 3.31Å; C232-I234 PolarHBondContact O-N 3.04Å; I234-L237 PolarHBondContact O-N 3.29Å; I234-L238 HydrophobicContact CG2-CD1 3.77Å; I234-L238 HydrophobicContact CG2-CG 4.2Å; I234-L238 VanDerWaalsContact O-CG 3.28Å; I234-L238 WeakPolarHBondContact O-CG 3.33Å; I234-L238 PolarHBondContact O-N 3.38Å; I234-L253 HydrophobicContact CD1-CD2 4.2Å; I234-L253 HydrophobicContact CG1-CD2 3.48Å; I234-L253 VanDerWaalsContact CG1-CD2 3.48Å
235Q92.9Very high92.1Very high121 Ų12190 Ų9057%0.56546%0.463SS*.Hα-helixtrans-60.2-46.5178.4-74175.1-23.500111.8G231 C232 L237 L238 E239G231-Q235 PolarHBondContact O-N 3.46Å; C232-Q235 WeakPolarHBondContact O-CB 3.32Å; C232-Q235 PolarHBondContact O-N 2.84Å; C232-Q235 VanDerWaalsContact O-N 3.12Å; Q235-L237 VanDerWaalsContact C-N 3.29Å; Q235-L237 PolarHBondContact O-N 3.37Å; Q235-L238 PolarHBondContact O-N 3.41Å; Q235-L238 VanDerWaalsContact O-N 3.16Å; Q235-E239 WeakPolarHBondContact O-CG 3.36Å; Q235-E239 PolarHBondContact O-N 3.03Å; Q235-E239 VanDerWaalsContact O-N 3.08Å
236E91.9Very high92Very high107 Ų10788.9 Ų88.950%0.546%0.457SS..Hα-helixtrans-56.1-42.3175.5-72.9171.6-176.900112.1C232 R233 E239 Q240C232-E236 WeakPolarHBondContact O-CG 3.42Å; C232-E236 PolarHBondContact O-N 3.16Å; R233-E236 WeakPolarHBondContact CD-OE2 3.42Å; R233-E236 IonicContact NH1-OE2 3.65Å; R233-E236 PolarHBondContact NH1-OE2 2.97Å; E236-E239 PolarHBondContact O-N 3Å; E236-Q240 PolarHBondContact O-N 2.94Å
237L91.9Very high91.7Very high10 Ų1092.5 Ų92.55%0.05247%0.472CS..Hα-helixtrans-69.3-39.6177-77.4166.7000112.6R233 I234 Q235 E239 Q240 F246 E249 L253R233-L237 WeakPolarHBondContact O-CG 3.32Å; R233-L237 PolarHBondContact O-N 3.38Å; R233-L237 VanDerWaalsContact O-N 3.1Å; I234-L237 PolarHBondContact O-N 3.29Å; Q235-L237 VanDerWaalsContact C-N 3.29Å; Q235-L237 PolarHBondContact O-N 3.37Å; L237-E239 PolarHBondContact O-N 3.34Å; L237-Q240 WeakPolarHBondContact O-CB 3.47Å; L237-Q240 PolarHBondContact O-N 2.98Å; L237-Q240 VanDerWaalsContact O-N 3.1Å; L237-F246 HydrophobicContact CB-CD2 4.32Å; L237-F246 HydrophobicContact CB-CE2 4.36Å; L237-F246 VanDerWaalsContact O-CD2 3.24Å; L237-F246 WeakPolarHBondContact O-CD2 3.48Å; L237-E249 HydrophobicContact CD1-CB 4.5Å; L237-E249 HydrophobicContact CD2-CB 3.45Å; L237-E249 VanDerWaalsContact CD2-CB 3.45Å; L237-E249 HydrophobicContact CD2-CG 4.44Å; L237-L253 HydrophobicContact CD1-CD1 3.68Å
238L91Very high91.4Very high126 Ų12695.6 Ų95.666%0.6648%0.482SS*.Hα-helixtrans-66.3-25.8178.3-71172.5000112.8I234 Q235 Q240I234-L238 HydrophobicContact CG2-CD1 3.77Å; I234-L238 HydrophobicContact CG2-CG 4.2Å; I234-L238 VanDerWaalsContact O-CG 3.28Å; I234-L238 WeakPolarHBondContact O-CG 3.33Å; I234-L238 PolarHBondContact O-N 3.38Å; Q235-L238 PolarHBondContact O-N 3.41Å; Q235-L238 VanDerWaalsContact O-N 3.16Å; L238-Q240 VanDerWaalsContact C-N 3.31Å
239E92.3Very high91.2Very high161 Ų16196.1 Ų96.175%0.75248%0.475SS*.THydrogen-bonded Turntrans-83.3-5.6174.7-69.2177.7-179.200113.1Q235 E236 L237Q235-E239 WeakPolarHBondContact O-CG 3.36Å; Q235-E239 PolarHBondContact O-N 3.03Å; Q235-E239 VanDerWaalsContact O-N 3.08Å; E236-E239 PolarHBondContact O-N 3Å; L237-E239 PolarHBondContact O-N 3.34Å
240Q90.8Very high90.8Very high67 Ų6790.9 Ų90.931%0.31346%0.461SS..  trans-75.9127.6-173.3-147.3-179.319.900112.3E236 L237 L238E236-Q240 PolarHBondContact O-N 2.94Å; L237-Q240 WeakPolarHBondContact O-CB 3.47Å; L237-Q240 PolarHBondContact O-N 2.98Å; L237-Q240 VanDerWaalsContact O-N 3.1Å; L238-Q240 VanDerWaalsContact C-N 3.31Å
241V87.6Confident90.5Very high141 Ų14196.9 Ų96.986%0.85549%0.49SS*.  trans-85.5-26.4-176-174.90000112.7E243V241-E243 PolarHBondContact O-N 3.06Å
242D92.8Very high90.3Very high81 Ų81102.1 Ų102.143%0.43351%0.509SS..  trans-83.4110.8-179.3-177.469.8000111.6Q244 T245 F246D242-Q244 PolarHBondContact O-N 2.92Å; D242-Q244 PolarHBondContact OD2-N 3Å; D242-T245 PolarHBondContact O-N 2.82Å; D242-T245 VanDerWaalsContact OD2-CB 3.25Å; D242-T245 WeakPolarHBondContact OD2-CB 3.4Å; D242-T245 PolarHBondContact OD2-N 3.48Å; D242-T245 PolarHBondContact OD2-OG1 3.04Å; D242-F246 PolarHBondContact O-N 3.24Å
243E89.6Confident90.1Very high161 Ų161101.3 Ų101.375%0.75250%0.501SS*.Hα-helixtrans-61.8-32-175.2-61.5-178.2168.700112.7V241 L247V241-E243 PolarHBondContact O-N 3.06Å; E243-L247 VanDerWaalsContact O-CG 3.29Å; E243-L247 WeakPolarHBondContact O-CG 3.46Å; E243-L247 PolarHBondContact O-N 3.4Å; E243-L247 VanDerWaalsContact O-N 3.16Å
244Q90.1Very high89.7Confident156 Ų156104 Ų10473%0.72952%0.518SS*.Hα-helixtrans-73.9-45-177.4-139.7174.61800111.3D242 L247 Q248D242-Q244 PolarHBondContact O-N 2.92Å; D242-Q244 PolarHBondContact OD2-N 3Å; Q244-L247 PolarHBondContact O-N 3.37Å; Q244-Q248 WeakPolarHBondContact O-CB 3.48Å; Q244-Q248 PolarHBondContact O-N 3.19Å; Q244-Q248 VanDerWaalsContact O-N 3.08Å
245T87.2Confident89.4Confident49 Ų49105.7 Ų105.730%0.30153%0.533SS..Hα-helixtrans-66.9-38.9176.7-490000111.2D242 Q248 E249D242-T245 PolarHBondContact O-N 2.82Å; D242-T245 VanDerWaalsContact OD2-CB 3.25Å; D242-T245 WeakPolarHBondContact OD2-CB 3.4Å; D242-T245 PolarHBondContact OD2-N 3.48Å; D242-T245 PolarHBondContact OD2-OG1 3.04Å; T245-Q248 PolarHBondContact O-N 3.48Å; T245-E249 HydrophobicContact CG2-CG 4.36Å; T245-E249 PolarHBondContact O-N 3.35Å
246F92.3Very high89.1Confident72 Ų72102 Ų10232%0.31652%0.52SS..Hα-helixtrans-58.2-50.7174.5173.2-97.3000111.8L237 D242 Q248 S250L237-F246 HydrophobicContact CB-CD2 4.32Å; L237-F246 HydrophobicContact CB-CE2 4.36Å; L237-F246 VanDerWaalsContact O-CD2 3.24Å; L237-F246 WeakPolarHBondContact O-CD2 3.48Å; D242-F246 PolarHBondContact O-N 3.24Å; F246-Q248 VanDerWaalsContact C-N 3.29Å; F246-Q248 PolarHBondContact O-N 2.87Å; F246-S250 WeakPolarHBondContact O-CB 3.41Å; F246-S250 PolarHBondContact O-N 3.47Å; F246-S250 PolarHBondContact O-OG 3.41Å
247L89.3Confident88.8Confident103 Ų10399.4 Ų99.454%0.53952%0.521SS..Hα-helixtrans-63.9-34.7179.9-72.3172000112.2E243 Q244 S250 Q251E243-L247 VanDerWaalsContact O-CG 3.29Å; E243-L247 WeakPolarHBondContact O-CG 3.46Å; E243-L247 PolarHBondContact O-N 3.4Å; E243-L247 VanDerWaalsContact O-N 3.16Å; Q244-L247 PolarHBondContact O-N 3.37Å; L247-S250 PolarHBondContact O-OG 3.49Å; L247-Q251 WeakPolarHBondContact O-CG 3.35Å
248Q88Confident88.5Confident135 Ų135105.2 Ų105.263%0.63156%0.56SS**Hα-helixtrans-75.9-45.3-179.6-1621721000112.6Q244 T245 F246Q244-Q248 WeakPolarHBondContact O-CB 3.48Å; Q244-Q248 PolarHBondContact O-N 3.19Å; Q244-Q248 VanDerWaalsContact O-N 3.08Å; T245-Q248 PolarHBondContact O-N 3.48Å; F246-Q248 VanDerWaalsContact C-N 3.29Å; F246-Q248 PolarHBondContact O-N 2.87Å
249E88.7Confident88.3Confident68 Ų68103.3 Ų103.332%0.31855%0.55SS..Hα-helixtrans-75.2-33.3178.9-75.4-141.9-173.300113R233 L237 T245 Q251 L252 L253R233-E249 IonicContact CZ-OE2 2.71Å; R233-E249 IonicContact NE-OE2 3.77Å; R233-E249 IonicContact NH2-OE1 2.83Å; R233-E249 IonicContact NH2-OE2 3.63Å; R233-E249 PolarHBondContact NH2-OE2 3.44Å; L237-E249 HydrophobicContact CD1-CB 4.5Å; L237-E249 HydrophobicContact CD2-CB 3.45Å; L237-E249 VanDerWaalsContact CD2-CB 3.45Å; L237-E249 HydrophobicContact CD2-CG 4.44Å; T245-E249 HydrophobicContact CG2-CG 4.36Å; T245-E249 PolarHBondContact O-N 3.35Å; E249-Q251 VanDerWaalsContact C-N 3.26Å; E249-Q251 PolarHBondContact O-N 3.29Å; E249-L252 PolarHBondContact O-N 3.44Å; E249-L252 VanDerWaalsContact O-N 3.08Å; E249-L253 PolarHBondContact O-N 2.96Å
250S86.9Confident87.9Confident43 Ų4397.3 Ų97.330%0.30153%0.532SS..Hα-helixtrans-63.3-30.8175.360.90000112.9F246 L247 L252 L253F246-S250 WeakPolarHBondContact O-CB 3.41Å; F246-S250 PolarHBondContact O-N 3.47Å; F246-S250 PolarHBondContact O-OG 3.41Å; L247-S250 PolarHBondContact O-OG 3.49Å; S250-L252 VanDerWaalsContact C-N 3.3Å; S250-L252 PolarHBondContact O-N 3.34Å; S250-L253 PolarHBondContact O-N 2.84Å
251Q87Confident87.7Confident166 Ų16699.9 Ų99.978%0.77655%0.554SS**Hα-helixtrans-69-26.3173.5-78.4178.22.900113.5L247 E249L247-Q251 WeakPolarHBondContact O-CG 3.35Å; E249-Q251 VanDerWaalsContact C-N 3.26Å; E249-Q251 PolarHBondContact O-N 3.29Å
252L87.4Confident87.6Confident139 Ų13998.7 Ų98.773%0.72854%0.542SS*.Hα-helixtrans-88.2-10.7179.7-65171.9000112.6E249 S250 Q254E249-L252 PolarHBondContact O-N 3.44Å; E249-L252 VanDerWaalsContact O-N 3.08Å; S250-L252 VanDerWaalsContact C-N 3.3Å; S250-L252 PolarHBondContact O-N 3.34Å; L252-Q254 PolarHBondContact O-N 3.48Å
253L88.8Confident87.1Confident49 Ų4999.2 Ų99.226%0.25755%0.548SS..  trans-74.2115.9-176.9-15291.8000110.9H230 R233 I234 L237 E249 S250H230-L253 WeakPolarHBondContact CE1-CD2 3.5Å; R233-L253 HydrophobicContact CB-CD1 4.08Å; R233-L253 HydrophobicContact CG-CD1 3.46Å; R233-L253 VanDerWaalsContact CG-CD1 3.46Å; I234-L253 HydrophobicContact CD1-CD2 4.2Å; I234-L253 HydrophobicContact CG1-CD2 3.48Å; I234-L253 VanDerWaalsContact CG1-CD2 3.48Å; L237-L253 HydrophobicContact CD1-CD1 3.68Å; E249-L253 PolarHBondContact O-N 2.96Å; S250-L253 PolarHBondContact O-N 2.84Å
254Q85.2Confident86.8Confident165 Ų16596.5 Ų96.577%0.77155%0.545SS*.  trans-109.8130.6173.8-65.2-146.6-28.300111.4H230 L252H230-Q254 VanDerWaalsContact CE1-C 3.47Å; H230-Q254 PolarHBondContact CE1-O 2.84Å; H230-Q254 PolarHBondContact ND1-O 3.49Å; L252-Q254 PolarHBondContact O-N 3.48Å
255P86Confident86.5Confident99 Ų9993.6 Ų93.664%0.64353%0.534SS*.PPolyproline II helixtrans-69.3147176.228-32.7000111H230 G257H230-P255 VanDerWaalsContact CE1-CA 3.48Å; H230-P255 WeakPolarHBondContact CE1-CA 3.3Å; P255-G257 PolarHBondContact O-N 3.24Å
256P87.2Confident86.2Confident44 Ų4499.4 Ų99.429%0.28656%0.558SS.*PPolyproline II helixtrans-56.2138.4167.5-19.530000110.2A226 V227 H230A226-P256 HydrophobicContact CB-CB 4.44Å; A226-P256 HydrophobicContact CB-CG 4.4Å; V227-P256 HydrophobicContact CG2-CB 4.31Å; V227-P256 HydrophobicContact CG2-CG 4.18Å; H230-P256 HydrophobicContact CB-CG 3.89Å
257G85.5Confident85.7Confident52 Ų52101.1 Ų101.154%0.53656%0.562SS.*PPolyproline II helixtrans-59.9154.8176.400000112.5H223 P255H223-G257 PolarHBondContact CE1-O 3.22Å; P255-G257 PolarHBondContact O-N 3.24Å
258P84.4Confident85.2Confident133 Ų133100 Ų10086%0.86456%0.556SS**PPolyproline II helixtrans-62.5143-174.225.6-33.9000112.5G260P258-G260 PolarHBondContact O-N 3.01Å
259L87.3Confident84.6Confident85 Ų8598 Ų9845%0.44555%0.547SS..PPolyproline II helixtrans-67.2124.8174.9-164.896.7000110.1L220 H223L220-L259 HydrophobicContact CD2-CD1 3.91Å; L220-L259 HydrophobicContact CD2-CD2 3.79Å; L220-L259 HydrophobicContact CD2-CG 4.36Å; H223-L259 HydrophobicContact CB-CD1 3.64Å; H223-L259 WeakPolarHBondContact CD2-CD1 3.46Å
260G83.8Confident83.7Confident36 Ų3699.4 Ų99.437%0.37156%0.557SS.*PPolyproline II helixtrans-68.2162.8169.700000112.7R219 P258R219-G260 PolarHBondContact NH2-O 3.33Å; P258-G260 PolarHBondContact O-N 3.01Å
261P86.8Confident83.2Confident120 Ų120104.1 Ų104.178%0.77957%0.574SS**PPolyproline II helixtrans-60.6155.9178.326.2-33.7000112.1R219R219-P261 PolarHBondContact NH2-O 3.08Å
262L85.1Confident82.8Confident116 Ų11698.9 Ų98.961%0.60755%0.549SS*.PPolyproline II helixtrans-68132.8173.5-72.4170.4000110E216 L220 P264E216-L262 HydrophobicContact CG-CD2 4.42Å; L220-L262 HydrophobicContact CD1-CD2 3.63Å; L220-L262 HydrophobicContact CD2-CD2 4Å; L220-L262 HydrophobicContact CG-CD2 4.28Å; L262-P264 WeakPolarHBondContact O-CD 3.26Å
263T82.9Confident82.3Confident92 Ų9293.9 Ų93.956%0.56452%0.523SS*.PPolyproline II helixtrans-78.4118.8173.3-44.50000109.2E216 L265E216-T263 WeakPolarHBondContact OE1-CB 3.32Å; E216-T263 PolarHBondContact OE1-N 3.07Å; E216-T263 PolarHBondContact OE1-OG1 2.92Å; T263-L265 PolarHBondContact O-N 3.18Å
264P82.3Confident81.7Confident105 Ų10593 Ų9368%0.68253%0.526SS*.PPolyproline II helixtrans-65129.4179.6-20.733.1000111.6L262 Q266L262-P264 WeakPolarHBondContact O-CD 3.26Å; P264-Q266 PolarHBondContact O-N 3.39Å
265L84.5Confident81.4Confident94 Ų9491.8 Ų91.849%0.49253%0.525SS..PPolyproline II helixtrans-73.5121.6172.7-65166.6000109.1V209 Q212 A213 T263V209-L265 HydrophobicContact CG1-CB 4.26Å; V209-L265 HydrophobicContact CG1-CD2 4.21Å; Q212-L265 HydrophobicContact CB-CD2 4.05Å; A213-L265 HydrophobicContact CB-CD1 3.69Å; A213-L265 HydrophobicContact CB-CD2 3.92Å; A213-L265 HydrophobicContact CB-CG 4.47Å; T263-L265 PolarHBondContact O-N 3.18Å
266Q80Confident81.2Confident172 Ų17289.3 Ų89.380%0.80451%0.506SS*.  trans-96104.6178.6-67.1-171.9-11.800110.1P264P264-Q266 PolarHBondContact O-N 3.39Å
267W83.2Confident80.6Confident108 Ų10889 Ų8941%0.40950%0.5SS..  trans-122.8110.8168.9-179.4-97.1000108.8I202 A205 K206 V209 Q272I202-W267 HydrophobicContact CG2-CH2 4.4Å; A205-W267 HydrophobicContact CB-CZ3 4.18Å; K206-W267 HydrophobicContact CB-CH2 4.04Å; K206-W267 HydrophobicContact CB-CZ3 4.04Å; V209-W267 HydrophobicContact CG2-CE3 4.18Å; W267-Q272 HydrophobicContact CH2-CG 4.29Å; W267-Q272 HydrophobicContact CZ2-CG 4.48Å; W267-Q272 HydrophobicContact CZ3-CG 4.5Å
268D78.8Confident80.4Confident78 Ų7892.6 Ų92.642%0.41750%0.503SS..  trans-116.9106.5177.1-175.8-24.9000108.9D270 Q271 Q272D268-D270 VanDerWaalsContact C-N 3.31Å; D268-D270 PolarHBondContact O-N 3.03Å; D268-D270 PolarHBondContact OD1-N 3.34Å; D268-Q271 HydrophobicContact CB-CB 3.75Å; D268-Q271 PolarHBondContact O-N 2.98Å; D268-Q271 PolarHBondContact OD1-N 3.26Å; D268-Q272 VanDerWaalsContact O-CG 3.32Å; D268-Q272 WeakPolarHBondContact O-CG 3.41Å; D268-Q272 PolarHBondContact O-N 3.08Å; D268-Q272 VanDerWaalsContact O-N 3.11Å; D268-Q272 PolarHBondContact O-NE2 3.32Å
269E75.8Confident80.3Confident95 Ų9588.7 Ų88.744%0.44448%0.475SS..Hα-helixtrans-61.8-37.7-179.5-63.6179.6159.800112.2L480E269-L480 HydrophobicContact CB-CD1 3.94Å
270D69.1Low80.1Confident96 Ų9687.6 Ų87.651%0.51347%0.469SS..Hα-helixtrans-75.2-36.2-179.2-85.7-28000111.2D268 L273 G274 K277D268-D270 VanDerWaalsContact C-N 3.31Å; D268-D270 PolarHBondContact O-N 3.03Å; D268-D270 PolarHBondContact OD1-N 3.34Å; D270-L273 PolarHBondContact O-N 2.84Å; D270-G274 WeakPolarHBondContact O-CA 3.46Å; D270-G274 PolarHBondContact O-N 3.23Å; D270-K277 IonicContact OD1-NZ 3.44Å; D270-K277 PolarHBondContact OD1-NZ 3.14Å
271Q77.1Confident79.7Confident143 Ų14387.3 Ų87.367%0.66846%0.461SS*.Hα-helixtrans-66.2-37.2174-167.7177.421.500112.3D268 L273D268-Q271 HydrophobicContact CB-CB 3.75Å; D268-Q271 PolarHBondContact O-N 2.98Å; D268-Q271 PolarHBondContact OD1-N 3.26Å; Q271-L273 PolarHBondContact O-N 3.11Å
272Q78.4Confident79.4Confident55 Ų5589.1 Ų89.126%0.25745%0.452SS..Hα-helixtrans-65-27.7179-64.7-32.5-73.300112.9A205 W267 D268A205-Q272 VanDerWaalsContact CB-OE1 3.3Å; W267-Q272 HydrophobicContact CH2-CG 4.29Å; W267-Q272 HydrophobicContact CZ2-CG 4.48Å; W267-Q272 HydrophobicContact CZ3-CG 4.5Å; D268-Q272 VanDerWaalsContact O-CG 3.32Å; D268-Q272 WeakPolarHBondContact O-CG 3.41Å; D268-Q272 PolarHBondContact O-N 3.08Å; D268-Q272 VanDerWaalsContact O-N 3.11Å; D268-Q272 PolarHBondContact O-NE2 3.32Å
273L76.8Confident79.1Confident34 Ų3486.3 Ų86.318%0.17844%0.437CS..Hα-helixtrans-112.1-3.8-172.9-78.2151.1000113.7I202 D270 Q271 D275 L276 K277 L480I202-L273 HydrophobicContact CD1-CD2 4.36Å; D270-L273 PolarHBondContact O-N 2.84Å; Q271-L273 PolarHBondContact O-N 3.11Å; L273-D275 PolarHBondContact O-N 3.17Å; L273-L276 HydrophobicContact CD2-CD2 3.85Å; L273-L276 PolarHBondContact O-N 3.44Å; L273-L276 VanDerWaalsContact O-N 3.15Å; L273-K277 HydrophobicContact CB-CD 4.4Å; L273-K277 HydrophobicContact CB-CG 4.4Å; L273-K277 WeakPolarHBondContact O-CB 3.42Å; L273-K277 WeakPolarHBondContact O-CG 3.37Å; L273-K277 PolarHBondContact O-N 3.26Å; L273-L480 HydrophobicContact CD1-CD1 3.35Å; L273-L480 HydrophobicContact CD1-CD2 3.98Å; L273-L480 HydrophobicContact CD1-CG 3.83Å
274G75.8Confident78.5Confident30 Ų3083.5 Ų83.531%0.30942%0.421SS..Hα-helixtrans-53.9-52.9-174.300000113.1D270 L276 K277 Q278D270-G274 WeakPolarHBondContact O-CA 3.46Å; D270-G274 PolarHBondContact O-N 3.23Å; G274-L276 VanDerWaalsContact C-N 3.3Å; G274-L276 PolarHBondContact O-N 3.22Å; G274-K277 PolarHBondContact O-N 3.04Å; G274-Q278 PolarHBondContact O-N 2.83Å
275D78.1Confident77.9Confident140 Ų14079.4 Ų79.475%0.74940%0.398SS*.Hα-helixtrans-61.5-38.8179.8-65.6-17.7000111.9L273 L279L273-D275 PolarHBondContact O-N 3.17Å; D275-L279 WeakPolarHBondContact O-CB 3.29Å; D275-L279 PolarHBondContact O-N 3.09Å
276L81.8Confident77.3Confident47 Ų4779.8 Ų79.825%0.24640%0.4CS..Hα-helixtrans-70-45.1178.7-17664.4000111.7A198 L273 G274 Q278 L279 L280A198-L276 HydrophobicContact CB-CD1 4.47Å; A198-L276 HydrophobicContact CB-CD2 3.93Å; L273-L276 HydrophobicContact CD2-CD2 3.85Å; L273-L276 PolarHBondContact O-N 3.44Å; L273-L276 VanDerWaalsContact O-N 3.15Å; G274-L276 VanDerWaalsContact C-N 3.3Å; G274-L276 PolarHBondContact O-N 3.22Å; L276-Q278 VanDerWaalsContact C-N 3.26Å; L276-Q278 PolarHBondContact O-N 2.97Å; L276-L279 HydrophobicContact CD1-CD2 4.46Å; L276-L279 PolarHBondContact O-N 3.4Å; L276-L280 HydrophobicContact CD1-CD1 4.45Å; L276-L280 HydrophobicContact CD1-CG 4.33Å; L276-L280 HydrophobicContact CG-CD1 4.09Å; L276-L280 HydrophobicContact CG-CG 4.38Å; L276-L280 WeakPolarHBondContact O-CG 3.39Å; L276-L280 PolarHBondContact O-N 2.87Å
277K76.3Confident76.6Confident38 Ų3878 Ų7817%0.16540%0.395CS..Hα-helixtrans-57.7-41.9175.9-73.4174.7-178179.50110.7D270 L273 G274 S281D270-K277 IonicContact OD1-NZ 3.44Å; D270-K277 PolarHBondContact OD1-NZ 3.14Å; L273-K277 HydrophobicContact CB-CD 4.4Å; L273-K277 HydrophobicContact CB-CG 4.4Å; L273-K277 WeakPolarHBondContact O-CB 3.42Å; L273-K277 WeakPolarHBondContact O-CG 3.37Å; L273-K277 PolarHBondContact O-N 3.26Å; G274-K277 PolarHBondContact O-N 3.04Å; K277-S281 WeakPolarHBondContact O-CB 3.43Å; K277-S281 PolarHBondContact O-N 2.87Å; K277-S281 PolarHBondContact O-OG 2.91Å
278Q80.5Confident75.5Confident127 Ų12775.5 Ų75.559%0.59339%0.39SS*.Hα-helixtrans-66.6-44176.8-168.8177.312.800111.8G274 L276 S281 R282G274-Q278 PolarHBondContact O-N 2.83Å; L276-Q278 VanDerWaalsContact C-N 3.26Å; L276-Q278 PolarHBondContact O-N 2.97Å; Q278-S281 PolarHBondContact O-N 3.29Å; Q278-R282 WeakPolarHBondContact O-CG 3.42Å; Q278-R282 PolarHBondContact O-N 3.28Å
279L82.5Confident74.3Confident52 Ų5278.3 Ų78.327%0.27240%0.4SS..Hα-helixtrans-58.9-49.4175.8-179.968000111.7Q194 D275 L276 S281 R282 L283Q194-L279 HydrophobicContact CG-CD2 4.5Å; D275-L279 WeakPolarHBondContact O-CB 3.29Å; D275-L279 PolarHBondContact O-N 3.09Å; L276-L279 HydrophobicContact CD1-CD2 4.46Å; L276-L279 PolarHBondContact O-N 3.4Å; L279-S281 PolarHBondContact O-N 2.72Å; L279-R282 PolarHBondContact O-N 3.29Å; L279-L283 HydrophobicContact CD1-CD1 4.4Å; L279-L283 HydrophobicContact CG-CD1 4.05Å; L279-L283 WeakPolarHBondContact O-CG 3.43Å; L279-L283 PolarHBondContact O-N 3.5Å
280L82.2Confident72.8Confident61 Ų6181.7 Ų81.732%0.31942%0.416SS..Hα-helixtrans-62.1-43.5179.4-69.9174.5000111.6L276 R282 L283 C284L276-L280 HydrophobicContact CD1-CD1 4.45Å; L276-L280 HydrophobicContact CD1-CG 4.33Å; L276-L280 HydrophobicContact CG-CD1 4.09Å; L276-L280 HydrophobicContact CG-CG 4.38Å; L276-L280 WeakPolarHBondContact O-CG 3.39Å; L276-L280 PolarHBondContact O-N 2.87Å; L280-R282 VanDerWaalsContact C-N 3.31Å; L280-R282 PolarHBondContact O-N 2.83Å; L280-L283 PolarHBondContact O-N 3.46Å; L280-C284 WeakPolarHBondContact O-CB 3.17Å; L280-C284 PolarHBondContact O-N 3.1Å; L280-C284 PolarHBondContact O-SG 3.32Å
281S77Confident71.3Confident30 Ų3080.5 Ų80.521%0.2143%0.427CS..Hα-helixtrans-61-39.7177-58.20000111.9K277 Q278 L279 G285K277-S281 WeakPolarHBondContact O-CB 3.43Å; K277-S281 PolarHBondContact O-N 2.87Å; K277-S281 PolarHBondContact O-OG 2.91Å; Q278-S281 PolarHBondContact O-N 3.29Å; L279-S281 PolarHBondContact O-N 2.72Å; S281-G285 PolarHBondContact O-N 2.99Å
282R79.8Confident69.4Low159 Ų15976.6 Ų76.660%0.643%0.425SS*.Hα-helixtrans-67.3-44.6174.9-71.7175.868-137.3-1.2112.4Q278 L279 L280 C284 G285 L286Q278-R282 WeakPolarHBondContact O-CG 3.42Å; Q278-R282 PolarHBondContact O-N 3.28Å; L279-R282 PolarHBondContact O-N 3.29Å; L280-R282 VanDerWaalsContact C-N 3.31Å; L280-R282 PolarHBondContact O-N 2.83Å; R282-C284 VanDerWaalsContact C-N 3.34Å; R282-G285 PolarHBondContact O-N 3.16Å; R282-L286 WeakPolarHBondContact O-CG 3.35Å; R282-L286 PolarHBondContact O-N 3.45Å
283L79.3Confident67.5Low56 Ų5682.5 Ų82.529%0.29345%0.452SS..Hα-helixtrans-61.2-43.5177.6-74.5168.6000111.4L191 L279 L280 G285 L286 L287L191-L283 HydrophobicContact CD2-CD1 3.67Å; L279-L283 HydrophobicContact CD1-CD1 4.4Å; L279-L283 HydrophobicContact CG-CD1 4.05Å; L279-L283 WeakPolarHBondContact O-CG 3.43Å; L279-L283 PolarHBondContact O-N 3.5Å; L280-L283 PolarHBondContact O-N 3.46Å; L283-G285 PolarHBondContact O-N 3.17Å; L283-L286 PolarHBondContact O-N 2.97Å; L283-L287 WeakPolarHBondContact O-CG 3.34Å; L283-L287 PolarHBondContact O-N 3.3Å
284C69.8Low65.9Low34 Ų3487 Ų8723%0.2348%0.483CS..Hα-helixtrans-62.4-41.3174.3-72.60000112L280 R282 L286 L287 L288 H478L280-C284 WeakPolarHBondContact O-CB 3.17Å; L280-C284 PolarHBondContact O-N 3.1Å; L280-C284 PolarHBondContact O-SG 3.32Å; R282-C284 VanDerWaalsContact C-N 3.34Å; C284-L286 PolarHBondContact O-N 2.93Å; C284-L287 PolarHBondContact O-N 2.98Å; C284-L288 WeakPolarHBondContact O-CB 3.45Å; C284-L288 WeakPolarHBondContact O-CG 3.48Å; C284-L288 PolarHBondContact O-N 3.09Å; C284-L288 VanDerWaalsContact O-N 3.09Å; C284-H478 PolarHBondContact SG-CE1 2.97Å
285G69.9Low63.8Low19 Ų1988.8 Ų88.820%0.19650%0.502CS..Hα-helixtrans-56.5-50173.900000112.5S281 R282 L283 L287 L288 E289S281-G285 PolarHBondContact O-N 2.99Å; R282-G285 PolarHBondContact O-N 3.16Å; L283-G285 PolarHBondContact O-N 3.17Å; G285-L287 PolarHBondContact O-N 3.14Å; G285-L288 PolarHBondContact O-N 3.07Å; G285-E289 WeakPolarHBondContact O-CG 3.48Å; G285-E289 PolarHBondContact O-N 3.4Å
286L71.1Confident61.6Low102 Ų10286.4 Ų86.453%0.53450%0.502SS..Hα-helixtrans-61.6-40.5179.9-68.7171.9000112.9R282 L283 C284 L288 E290R282-L286 WeakPolarHBondContact O-CG 3.35Å; R282-L286 PolarHBondContact O-N 3.45Å; L283-L286 PolarHBondContact O-N 2.97Å; C284-L286 PolarHBondContact O-N 2.93Å; L286-L288 VanDerWaalsContact C-N 3.29Å; L286-L288 PolarHBondContact O-N 3.41Å; L286-E290 PolarHBondContact O-N 3.17Å
287L66.3Low59.6Low133 Ų13390.2 Ų90.270%0.69653%0.529SS*.Hα-helixtrans-71-24.2179-68.3171.8000113.1L283 C284 G285L283-L287 WeakPolarHBondContact O-CG 3.34Å; L283-L287 PolarHBondContact O-N 3.3Å; C284-L287 PolarHBondContact O-N 2.98Å; G285-L287 PolarHBondContact O-N 3.14Å
288L59.7Low57.5Low56 Ų5693 Ų9329%0.29356%0.559SS.*Hα-helixtrans-86.4-32178.3-68.7173.4000112.9C284 G285 L286 P473C284-L288 WeakPolarHBondContact O-CB 3.45Å; C284-L288 WeakPolarHBondContact O-CG 3.48Å; C284-L288 PolarHBondContact O-N 3.09Å; C284-L288 VanDerWaalsContact O-N 3.09Å; G285-L288 PolarHBondContact O-N 3.07Å; L286-L288 VanDerWaalsContact C-N 3.29Å; L286-L288 PolarHBondContact O-N 3.41Å; L288-P473 HydrophobicContact CD2-CB 3.65Å; L288-P473 HydrophobicContact CD2-CG 3.55Å
289E54Low55.5Low137 Ų13795.9 Ų95.964%0.6457%0.57SS**Hα-helixtrans-74-29.4179.5-72.2-176.2173.900113.2G285 G291G285-E289 WeakPolarHBondContact O-CG 3.48Å; G285-E289 PolarHBondContact O-N 3.4Å; E289-G291 VanDerWaalsContact C-N 3.29Å; E289-G291 PolarHBondContact O-N 3.21Å
290E44.3Very low53.2Low167 Ų16799.4 Ų99.478%0.7860%0.595SS**THydrogen-bonded Turntrans-77.8-6.7-180-74.5-84.5150.900114.2L286 G292L286-E290 PolarHBondContact O-N 3.17Å; E290-G292 VanDerWaalsContact C-N 3.28Å; E290-G292 PolarHBondContact O-N 2.99Å
291G37.2Very low51Low71 Ų71102.6 Ų102.673%0.73262%0.617SS**THydrogen-bonded Turntrans-75.9-9.6177.500000114.9E289E289-G291 VanDerWaalsContact C-N 3.29Å; E289-G291 PolarHBondContact O-N 3.21Å
292G37.8Very low49.1Very low61 Ų61108.1 Ų108.163%0.62965%0.645SS**SBendtrans-9996.5174.800000110.8E290E290-G292 VanDerWaalsContact C-N 3.28Å; E290-G292 PolarHBondContact O-N 2.99Å
293H37.2Very low47Very low179 Ų179108 Ų10883%0.82966%0.655SS**  trans-58.4145.5175.9-91.9-49.3000112.8G295H293-G295 PolarHBondContact O-N 2.86Å; H293-G295 VanDerWaalsContact O-N 3.07Å
294P43.6Very low44.9Very low127 Ų127108 Ų10883%0.82567%0.668SS**  trans-73.993.2166.630-29.7000109.5
295G32.5Very low43.4Very low69 Ų69113.1 Ų113.171%0.71170%0.701SS**  trans-92.5100.716200000109.2H293H293-G295 PolarHBondContact O-N 2.86Å; H293-G295 VanDerWaalsContact O-N 3.07Å
296A31.6Very low41.6Very low90 Ų90121.1 Ų121.174%0.74474%0.735SS**  trans-53.7142.7166.600000109.8A298A296-A298 PolarHBondContact O-N 3.29Å
297P39Very low39.7Very low127 Ų127125 Ų12583%0.82575%0.751SS**  trans-71.199.4176.829.1-30.7000108.1K299P297-K299 PolarHBondContact O-N 3.48Å; P297-K299 VanDerWaalsContact O-N 3.17Å
298A32.8Very low38Very low95 Ų95123.5 Ų123.579%0.78576%0.758SS**PPolyproline II helixtrans-62117.3160.400000106.9A296A296-A298 PolarHBondContact O-N 3.29Å
299K38.9Very low36.9Very low189 Ų189126.7 Ų126.782%0.82278%0.782SS**PPolyproline II helixtrans-49.6136.7175-76178.7174.71790109.6P297 V301P297-K299 PolarHBondContact O-N 3.48Å; P297-K299 VanDerWaalsContact O-N 3.17Å; K299-V301 PolarHBondContact O-N 2.92Å
300P33.5Very low36.1Very low125 Ų125122.9 Ų122.981%0.81278%0.78SS**PPolyproline II helixtrans-64.8119.6172.425.9-29.4000108.4D302P300-D302 PolarHBondContact O-N 2.7Å
301V35.6Very low35.8Very low128 Ų128121.6 Ų121.678%0.77679%0.786SS**PPolyproline II helixtrans-71.3119.2159.7175.30000105.9K299 L303K299-V301 PolarHBondContact O-N 2.92Å; V301-L303 PolarHBondContact O-N 2.89Å
302D38Very low35.6Very low147 Ų147126.3 Ų126.379%0.78679%0.793SS**  trans-60.6108.9174.9-17217.7000109.7P300P300-D302 PolarHBondContact O-N 2.7Å
303L36Very low35.3Very low157 Ų157127.2 Ų127.282%0.82280%0.795SS**  trans-124.7118163.4-75.2171.9000106.3V301V301-L303 PolarHBondContact O-N 2.89Å
304G34.5Very low35.2Very low55 Ų55124.6 Ų124.657%0.56779%0.794SS**  trans-60.6179.8-172.300000115.7M306G304-M306 PolarHBondContact O-N 2.75Å
305P38.2Very low34.5Very low141 Ų141124.4 Ų124.492%0.91679%0.79SS**  trans-73.1113.1-163.528.4-31.3000110.8
306M31.3Very low34.7Very low187 Ų187126.4 Ų126.492%0.92179%0.79SS**  trans-116.9138.4167.5-156.3163.39400110.2G304G304-M306 PolarHBondContact O-N 2.75Å
307E32.1Very low35.2Very low184 Ų184127.5 Ų127.586%0.8679%0.792SS**PPolyproline II helixtrans-52.5149.5-162.1-62.3179.5132.200116.1P309E307-P309 VanDerWaalsContact O-CD 3.32Å; E307-P309 WeakPolarHBondContact O-CD 3.32Å
308A30.7Very low35.8Very low101 Ų101127.4 Ų127.484%0.83579%0.79SS**PPolyproline II helixtrans-63.4121.6178.600000112.4
309P36.8Very low37.1Very low123 Ų123125 Ų12580%0.79977%0.765SS**PPolyproline II helixtrans-76136.6158.3-5.724.6000108.7E307E307-P309 VanDerWaalsContact O-CD 3.32Å; E307-P309 WeakPolarHBondContact O-CD 3.32Å
310G36.1Very low38.8Very low58 Ų58118 Ų11860%0.59874%0.739SS**  trans-56.7174.9-175.200000115.8L312G310-L312 PolarHBondContact O-N 3.05Å
311P38.3Very low41Very low140 Ų140117.1 Ų117.191%0.90973%0.734SS**  trans-61.2104.8-170.523.9-31.7000110.6A313P311-A313 PolarHBondContact O-N 2.96Å
312L33.8Very low43.2Very low170 Ų170114.2 Ų114.289%0.8971%0.713SS**  trans-53.3123.7163.5-73.9164000107.5G310G310-L312 PolarHBondContact O-N 3.05Å
313A30.3Very low45.4Very low80 Ų80109.6 Ų109.666%0.66169%0.685SS**  trans-49138.9174.500000109.9P311 V315P311-A313 PolarHBondContact O-N 2.96Å; A313-V315 PolarHBondContact O-N 3.32Å
314P35.2Very low47.7Very low124 Ų124109.3 Ų109.381%0.80567%0.673SS**  trans-65.4107.317726.9-31.1000107.8
315V30.3Very low50.2Low123 Ų123113.5 Ų113.575%0.74568%0.676SS**  trans-52.3124.1164.4179.70000106A313 S317A313-V315 PolarHBondContact O-N 3.32Å; V315-S317 PolarHBondContact O-N 3.24Å
316P36.4Very low52.6Low110 Ų110107.2 Ų107.271%0.71463%0.634SS**  trans-59.3113.4177-16.427.7000106.8T318P316-T318 VanDerWaalsContact C-N 3.29Å; P316-T318 PolarHBondContact O-N 3.09Å
317S41.9Very low55.4Low113 Ų113101.6 Ų101.679%0.7960%0.603SS**  trans-55.797.8175.3-45.30000107.2V315 V319V315-S317 PolarHBondContact O-N 3.24Å; S317-V319 PolarHBondContact O-N 2.78Å
318T50.7Low58.1Low126 Ų12699.6 Ų99.677%0.77359%0.594SS**  trans-58.2106.5172.337.10000105.6P316 C320P316-T318 VanDerWaalsContact C-N 3.29Å; P316-T318 PolarHBondContact O-N 3.09Å; T318-C320 PolarHBondContact O-N 3.47Å
319V61.1Low61Low44 Ų4496.7 Ų96.727%0.26756%0.564SS.*  trans-46.5120.9177.5177.30000107.1S317 R323 W327S317-V319 PolarHBondContact O-N 2.78Å; V319-R323 HydrophobicContact CG1-CB 3.74Å; V319-R323 HydrophobicContact CG1-CG 3.95Å; V319-W327 HydrophobicContact CB-CH2 4.19Å; V319-W327 HydrophobicContact CB-CZ3 4.23Å; V319-W327 HydrophobicContact CG1-CE3 4.27Å; V319-W327 HydrophobicContact CG1-CH2 3.65Å; V319-W327 HydrophobicContact CG1-CZ2 4.1Å; V319-W327 HydrophobicContact CG1-CZ3 3.73Å; V319-W327 HydrophobicContact CG2-CH2 3.51Å; V319-W327 HydrophobicContact CG2-CZ2 4.49Å; V319-W327 HydrophobicContact CG2-CZ3 3.82Å
320C74.3Confident63.8Low42 Ų4291 Ų9128%0.28453%0.527SS..  trans-57.3149.5-173.971.90000109.9T318 L322 R323 R324 T471T318-C320 PolarHBondContact O-N 3.47Å; C320-L322 PolarHBondContact O-N 3.11Å; C320-L322 VanDerWaalsContact O-N 3.09Å; C320-R323 PolarHBondContact O-N 2.8Å; C320-R323 VanDerWaalsContact SG-CB 3.59Å; C320-R323 PolarHBondContact SG-N 2.61Å; C320-R323 VanDerWaalsContact SG-N 3.4Å; C320-R324 PolarHBondContact O-N 3.17Å; C320-R324 VanDerWaalsContact O-N 3.14Å; C320-T471 WeakPolarHBondContact SG-CB 3.49Å; C320-T471 PolarHBondContact SG-OG1 2.88Å
321P78.9Confident66.6Low107 Ų10790 Ų9070%0.69551%0.505SS*.Hα-helixtrans-53-36.2-176.6-28.235.3000113.5R324 K325P321-R324 PolarHBondContact O-N 2.99Å; P321-K325 PolarHBondContact O-N 2.82Å; P321-K325 VanDerWaalsContact O-N 3.1Å
322L82.5Confident69.2Low66 Ų6685.1 Ų85.135%0.34647%0.471SS..Hα-helixtrans-61.1-50.8176.8178.258.7000112C320 R324 K325 L326 Y465 T471C320-L322 PolarHBondContact O-N 3.11Å; C320-L322 VanDerWaalsContact O-N 3.09Å; L322-R324 VanDerWaalsContact C-N 3.28Å; L322-R324 PolarHBondContact O-N 3.42Å; L322-K325 WeakPolarHBondContact O-CB 3.49Å; L322-K325 PolarHBondContact O-N 2.94Å; L322-K325 VanDerWaalsContact O-N 3.09Å; L322-L326 HydrophobicContact CG-CD1 4.44Å; L322-L326 WeakPolarHBondContact O-CG 3.4Å; L322-L326 PolarHBondContact O-N 3.44Å; L322-Y465 HydrophobicContact CD2-CD1 4.48Å; L322-Y465 HydrophobicContact CD2-CE1 4.09Å; L322-T471 HydrophobicContact CD2-CG2 4.01Å; L322-T471 HydrophobicContact CG-CG2 4.24Å
323R84.3Confident72.2Confident51 Ų5177.1 Ų77.119%0.19243%0.429CS..Hα-helixtrans-64.7-33.9-179.8-169.6171.3-179-158-2.7112V319 C320 K325 L326 W327 E387 T471V319-R323 HydrophobicContact CG1-CB 3.74Å; V319-R323 HydrophobicContact CG1-CG 3.95Å; C320-R323 PolarHBondContact O-N 2.8Å; C320-R323 VanDerWaalsContact SG-CB 3.59Å; C320-R323 PolarHBondContact SG-N 2.61Å; C320-R323 VanDerWaalsContact SG-N 3.4Å; R323-K325 VanDerWaalsContact C-N 3.33Å; R323-K325 PolarHBondContact O-N 3.5Å; R323-L326 PolarHBondContact O-N 3.25Å; R323-W327 HydrophobicContact CG-CZ2 4.03Å; R323-W327 VanDerWaalsContact O-CG 3.29Å; R323-W327 PolarHBondContact O-N 3.29Å; R323-W327 VanDerWaalsContact O-N 3.11Å; R323-E387 IonicContact CZ-OE1 3.28Å; R323-E387 IonicContact CZ-OE2 3.82Å; R323-E387 IonicContact NE-OE1 3.73Å; R323-E387 PolarHBondContact NE-OE1 3.33Å; R323-E387 IonicContact NE-OE2 2.76Å; R323-E387 IonicContact NH2-OE1 2.73Å; R323-E387 PolarHBondContact NH2-OE1 2.97Å; R323-E387 IonicContact NH2-OE2 3.01Å; R323-E387 PolarHBondContact NH2-OE2 2.92Å; R323-T471 HydrophobicContact CB-CG2 4.21Å
324R84.5Confident75.4Confident150 Ų15074.9 Ų74.957%0.56641%0.407SS*.Hα-helixtrans-62.9-38.5172.7-168.6-175-56.1162.56112.4C320 P321 L322C320-R324 PolarHBondContact O-N 3.17Å; C320-R324 VanDerWaalsContact O-N 3.14Å; P321-R324 PolarHBondContact O-N 2.99Å; L322-R324 VanDerWaalsContact C-N 3.28Å; L322-R324 PolarHBondContact O-N 3.42Å
325K86.3Confident78.4Confident143 Ų14369 Ų6962%0.62237%0.369SS*.Hα-helixtrans-66-45.1175.2-171.4-178.9177.6-174.80111.2P321 L322 R323 W327 Q328P321-K325 PolarHBondContact O-N 2.82Å; P321-K325 VanDerWaalsContact O-N 3.1Å; L322-K325 WeakPolarHBondContact O-CB 3.49Å; L322-K325 PolarHBondContact O-N 2.94Å; L322-K325 VanDerWaalsContact O-N 3.09Å; R323-K325 VanDerWaalsContact C-N 3.33Å; R323-K325 PolarHBondContact O-N 3.5Å; K325-W327 VanDerWaalsContact C-N 3.26Å; K325-W327 PolarHBondContact O-N 2.9Å; K325-Q328 VanDerWaalsContact O-CB 3.3Å; K325-Q328 WeakPolarHBondContact O-CB 3.32Å; K325-Q328 WeakPolarHBondContact O-CG 3.32Å; K325-Q328 PolarHBondContact O-N 3.41Å; K325-Q328 VanDerWaalsContact O-N 3.11Å
326L89.3Confident81.5Confident9 Ų964.5 Ų64.55%0.04734%0.341CS..Hα-helixtrans-58.2-38.2178.1-67.1171.9000112.3L322 R323 Q328 N329 Y385 D454 Y465L322-L326 HydrophobicContact CG-CD1 4.44Å; L322-L326 WeakPolarHBondContact O-CG 3.4Å; L322-L326 PolarHBondContact O-N 3.44Å; R323-L326 PolarHBondContact O-N 3.25Å; L326-Q328 PolarHBondContact O-N 3.5Å; L326-Q328 VanDerWaalsContact O-N 3.14Å; L326-N329 PolarHBondContact O-N 2.84Å; L326-N329 VanDerWaalsContact O-N 3.14Å; L326-Y385 HydrophobicContact CB-CD1 3.95Å; L326-Y385 HydrophobicContact CB-CD2 3.95Å; L326-Y385 HydrophobicContact CB-CE1 3.84Å; L326-Y385 HydrophobicContact CB-CE2 3.86Å; L326-Y385 HydrophobicContact CB-CG 3.99Å; L326-Y385 HydrophobicContact CD1-CD2 4.46Å; L326-Y385 HydrophobicContact CD1-CE2 3.74Å; L326-Y385 HydrophobicContact CD2-CD2 3.99Å; L326-Y385 HydrophobicContact CD2-CE2 4.07Å; L326-Y385 HydrophobicContact CG-CD2 4.35Å; L326-Y385 HydrophobicContact CG-CE2 4.1Å; L326-Y385 WeakPolarHBondContact O-CB 3.41Å; L326-Y385 WeakPolarHBondContact O-CD1 3.31Å; L326-D454 HydrophobicContact CD2-CB 4Å; L326-Y465 HydrophobicContact CD1-CD1 4.37Å; L326-Y465 HydrophobicContact CD1-CD2 4.26Å; L326-Y465 HydrophobicContact CD1-CE1 4.33Å; L326-Y465 HydrophobicContact CD1-CE2 4.19Å; L326-Y465 HydrophobicContact CD1-CG 4.34Å; L326-Y465 HydrophobicContact CD2-CE2 4.08Å
327W90.1Very high84.2Confident70 Ų7062 Ų6227%0.26532%0.324SS..G310 helixtrans-63.9-17.2178.6-68.9-10.9000115V319 R323 K325 N329 Y330 Y385 E387 Q502V319-W327 HydrophobicContact CB-CH2 4.19Å; V319-W327 HydrophobicContact CB-CZ3 4.23Å; V319-W327 HydrophobicContact CG1-CE3 4.27Å; V319-W327 HydrophobicContact CG1-CH2 3.65Å; V319-W327 HydrophobicContact CG1-CZ2 4.1Å; V319-W327 HydrophobicContact CG1-CZ3 3.73Å; V319-W327 HydrophobicContact CG2-CH2 3.51Å; V319-W327 HydrophobicContact CG2-CZ2 4.49Å; V319-W327 HydrophobicContact CG2-CZ3 3.82Å; R323-W327 HydrophobicContact CG-CZ2 4.03Å; R323-W327 VanDerWaalsContact O-CG 3.29Å; R323-W327 PolarHBondContact O-N 3.29Å; R323-W327 VanDerWaalsContact O-N 3.11Å; K325-W327 VanDerWaalsContact C-N 3.26Å; K325-W327 PolarHBondContact O-N 2.9Å; W327-N329 PolarHBondContact O-N 2.95Å; W327-Y330 AromaticContact CD1-CD2 3.7Å; W327-Y330 HydrophobicContact CG-CD2 4.45Å; W327-Y330 WeakPolarHBondContact O-CB 3.4Å; W327-Y330 PolarHBondContact O-N 3.26Å; W327-Y385 AromaticContact CD1-CE1 3.84Å; W327-E387 PolarHBondContact NE1-OE1 3.01Å; W327-Q502 VanDerWaalsContact CD2-NE2 3.33Å; W327-Q502 VanDerWaalsContact CZ2-NE2 3.35Å; W327-Q502 VanDerWaalsContact NE1-NE2 3.19Å
328Q88.8Confident86.6Confident142 Ų14261.9 Ų61.966%0.66431%0.314SS*.G310 helixtrans-61.2-27.3174.5-63.5175.2-500112.1K325 L326K325-Q328 VanDerWaalsContact O-CB 3.3Å; K325-Q328 WeakPolarHBondContact O-CB 3.32Å; K325-Q328 WeakPolarHBondContact O-CG 3.32Å; K325-Q328 PolarHBondContact O-N 3.41Å; K325-Q328 VanDerWaalsContact O-N 3.11Å; L326-Q328 PolarHBondContact O-N 3.5Å; L326-Q328 VanDerWaalsContact O-N 3.14Å
329N91.5Very high88.7Confident39 Ų3955.9 Ų55.921%0.20928%0.277CS..G310 helixtrans-109.217.5-178-62.6-44.5000112.9L326 W327 H383 Y385L326-N329 PolarHBondContact O-N 2.84Å; L326-N329 VanDerWaalsContact O-N 3.14Å; W327-N329 PolarHBondContact O-N 2.95Å; N329-H383 HydrophobicContact CB-CB 4.45Å; N329-H383 PolarHBondContact ND2-CE1 3.31Å; N329-H383 PolarHBondContact ND2-ND1 3.44Å; N329-Y385 PolarHBondContact O-N 3.22Å
330Y94.7Very high90.3Very high5 Ų553.9 Ų53.92%0.0227%0.265CS..BIsolated β-bridgetrans-60.8138.8-174-153.8-80.9000112.6W327 N332 Y385 E387 C500 Q502 A505W327-Y330 AromaticContact CD1-CD2 3.7Å; W327-Y330 HydrophobicContact CG-CD2 4.45Å; W327-Y330 WeakPolarHBondContact O-CB 3.4Å; W327-Y330 PolarHBondContact O-N 3.26Å; Y330-N332 WeakPolarHBondContact CE1-OD1 3.45Å; Y330-Y385 CarbonylContact C-O 3.55Å; Y330-Y385 VanDerWaalsContact CA-O 3.29Å; Y330-Y385 WeakPolarHBondContact CA-O 3.38Å; Y330-Y385 AromaticContact CD2-CD1 3.6Å; Y330-Y385 HydrophobicContact CD2-CD1 3.6Å; Y330-Y385 AromaticContact CD2-CE1 3.9Å; Y330-Y385 HydrophobicContact CD2-CE1 3.9Å; Y330-Y385 HydrophobicContact CE2-CD1 4.06Å; Y330-Y385 AromaticContact CE2-CE1 3.97Å; Y330-Y385 HydrophobicContact CE2-CE1 3.97Å; Y330-Y385 HydrophobicContact CG-CD1 4.44Å; Y330-E387 HydrophobicContact CE2-CB 4.38Å; Y330-E387 HydrophobicContact CE2-CG 3.8Å; Y330-C500 VanDerWaalsContact OH-C 3.28Å; Y330-C500 WeakPolarHBondContact OH-CB 3.32Å; Y330-C500 PolarHBondContact OH-O 2.86Å; Y330-Q502 HydrophobicContact CD1-CB 4.02Å; Y330-Q502 HydrophobicContact CD1-CG 4.14Å; Y330-Q502 HydrophobicContact CD2-CG 4.13Å; Y330-Q502 HydrophobicContact CE1-CB 4.08Å; Y330-Q502 HydrophobicContact CE1-CG 3.92Å; Y330-Q502 HydrophobicContact CE2-CG 3.9Å; Y330-Q502 HydrophobicContact CG-CB 4.37Å; Y330-Q502 HydrophobicContact CG-CG 4.25Å; Y330-A505 HydrophobicContact CD1-CB 4.06Å
331R95.1Very high91.2Very high37 Ų3752 Ų5214%0.1425%0.252CS..  trans-129.8125.7175.8-61.8-63.9173.4-106.1-1.2110.4L333 F379 H384 Y385R331-L333 HydrophobicContact CB-CD2 3.8Å; R331-L333 PolarHBondContact O-N 3.36Å; R331-F379 HydrophobicContact CB-CZ 4.4Å; R331-F379 HydrophobicContact CG-CE1 4.26Å; R331-F379 HydrophobicContact CG-CZ 4.38Å; R331-H384 HydrophobicContact CG-CB 4.2Å; R331-Y385 PolarHBondContact N-O 2.98Å
332N94.4Very high91.8Very high37 Ų3752.2 Ų52.220%0.19824%0.239CC..  trans-78.9110.1172.9-70.3-18.1000109Y330 H501 Q502Y330-N332 WeakPolarHBondContact CE1-OD1 3.45Å; N332-H501 HydrophobicContact CB-CB 4.5Å; N332-H501 WeakPolarHBondContact OD1-CA 3.45Å; N332-Q502 PolarHBondContact ND2-O 3.39Å; N332-Q502 PolarHBondContact OD1-N 3.09Å
333L96.5Very high92.3Very high1 Ų151.5 Ų51.51%0.00523%0.234CC..  trans-103.3157.4-176.2-51.3-171.2000112.2R331 Q377 F379 W386 P487 L499 H501R331-L333 HydrophobicContact CB-CD2 3.8Å; R331-L333 PolarHBondContact O-N 3.36Å; L333-Q377 HydrophobicContact CD2-CB 4.1Å; L333-Q377 HydrophobicContact CD2-CG 4.07Å; L333-F379 HydrophobicContact CD2-CE2 4.42Å; L333-F379 HydrophobicContact CD2-CZ 3.73Å; L333-W386 HydrophobicContact CD1-CB 3.84Å; L333-W386 HydrophobicContact CD1-CD2 3.55Å; L333-W386 HydrophobicContact CD1-CE3 4.11Å; L333-W386 HydrophobicContact CD1-CG 3.42Å; L333-W386 VanDerWaalsContact CD1-CG 3.42Å; L333-W386 HydrophobicContact CG-CB 4.08Å; L333-W386 HydrophobicContact CG-CG 4.21Å; L333-P487 HydrophobicContact CD1-CB 4.29Å; L333-P487 HydrophobicContact CD1-CG 3.84Å; L333-L499 HydrophobicContact CB-CD1 3.96Å; L333-L499 HydrophobicContact CB-CD2 4.33Å; L333-L499 WeakPolarHBondContact O-CD1 3.41Å; L333-H501 PolarHBondContact O-NE2 2.82Å
334T97.4Very high92.8Very high33 Ų3349.1 Ų49.120%0.20223%0.225CC..  trans-134.5143.9175.151.70000109.5C375 T376 Q377T334-C375 CarbonylContact O-C 3.5Å; T334-C375 WeakPolarHBondContact O-CA 3.49Å; T334-C375 WeakPolarHBondContact O-CB 3.37Å; T334-T376 PolarHBondContact O-N 3.04Å; T334-T376 PolarHBondContact O-OG1 3.33Å; T334-T376 PolarHBondContact OG1-OG1 3.22Å; T334-Q377 PolarHBondContact O-OE1 3.28Å; T334-Q377 PolarHBondContact OG1-NE2 3.08Å
335F97.8Very high93.2Very high0 Ų048.1 Ų48.10%022%0.222CC..BIsolated β-bridgetrans-68.3140.7172.6-65.1-65.8000110.2P337 L346 D350 Q351 V353 V373 F489 L497 L499F335-P337 VanDerWaalsContact O-CD 3.3Å; F335-P337 WeakPolarHBondContact O-CD 3.37Å; F335-L346 HydrophobicContact CB-CD1 4.11Å; F335-L346 HydrophobicContact CB-CD2 3.59Å; F335-L346 HydrophobicContact CD2-CD2 4.13Å; F335-L346 HydrophobicContact CG-CD2 4.05Å; F335-D350 WeakPolarHBondContact CB-O 3.49Å; F335-D350 VanDerWaalsContact CD2-O 3.28Å; F335-D350 WeakPolarHBondContact CD2-O 3.28Å; F335-D350 PolarHBondContact N-O 2.89Å; F335-D350 WeakPolarHBondContact O-CB 2.98Å; F335-Q351 VanDerWaalsContact CE2-O 3.31Å; F335-Q351 WeakPolarHBondContact CE2-O 3.43Å; F335-V353 HydrophobicContact CD1-CG1 4.33Å; F335-V353 HydrophobicContact CD2-CB 3.89Å; F335-V353 HydrophobicContact CD2-CG1 4.04Å; F335-V353 HydrophobicContact CE1-CG1 3.86Å; F335-V353 HydrophobicContact CE2-CB 3.87Å; F335-V353 HydrophobicContact CE2-CG1 3.55Å; F335-V353 HydrophobicContact CG-CB 4.28Å; F335-V353 HydrophobicContact CG-CG1 4.41Å; F335-V353 HydrophobicContact CZ-CB 4.23Å; F335-V353 HydrophobicContact CZ-CG1 3.45Å; F335-V353 VanDerWaalsContact CZ-CG1 3.45Å; F335-V373 HydrophobicContact CB-CG2 3.99Å; F335-V373 HydrophobicContact CD1-CG1 3.74Å; F335-V373 HydrophobicContact CD1-CG2 4Å; F335-V373 HydrophobicContact CE1-CG1 4.01Å; F335-V373 HydrophobicContact CG-CG2 4.35Å; F335-F489 HydrophobicContact CD1-CD2 4.21Å; F335-F489 HydrophobicContact CE1-CB 4.47Å; F335-F489 AromaticContact CE1-CD2 3.57Å; F335-F489 HydrophobicContact CE1-CD2 3.57Å; F335-F489 AromaticContact CE1-CE2 3.95Å; F335-F489 HydrophobicContact CE1-CE2 3.95Å; F335-F489 HydrophobicContact CE1-CG 4.02Å; F335-L497 HydrophobicContact CZ-CB 4.19Å; F335-L499 HydrophobicContact CD1-CD1 4.07Å; F335-L499 HydrophobicContact CD2-CD1 3.89Å; F335-L499 HydrophobicContact CD2-CG 4.5Å; F335-L499 HydrophobicContact CE1-CD1 3.89Å; F335-L499 HydrophobicContact CE1-CG 4.23Å; F335-L499 HydrophobicContact CE2-CD1 3.7Å; F335-L499 HydrophobicContact CE2-CG 3.82Å; F335-L499 HydrophobicContact CG-CD1 4.07Å; F335-L499 HydrophobicContact CZ-CD1 3.7Å; F335-L499 HydrophobicContact CZ-CD2 4.37Å; F335-L499 HydrophobicContact CZ-CG 3.66Å
336D95.6Very high93.6Very high30 Ų3042.6 Ų42.616%0.1620%0.199CC..  trans-83.3115.1175.3169.432.7000110.7I338 S339 A340 Q374D336-I338 PolarHBondContact O-N 3.28Å; D336-I338 WeakPolarHBondContact OD1-CB 3.46Å; D336-I338 PolarHBondContact OD1-N 3.19Å; D336-S339 PolarHBondContact O-N 3.15Å; D336-S339 PolarHBondContact O-OG 3.46Å; D336-S339 WeakPolarHBondContact OD2-CB 3.41Å; D336-S339 PolarHBondContact OD2-N 3.15Å; D336-S339 PolarHBondContact OD2-OG 2.93Å; D336-A340 PolarHBondContact O-N 3.2Å; D336-Q374 PolarHBondContact N-O 3.24Å
337P93.1Very high93.9Very high57 Ų5743.4 Ų43.437%0.3721%0.206SC..THydrogen-bonded Turntrans-62.7-22.9178.1-20.533.1000114.4F335 L346F335-P337 VanDerWaalsContact O-CD 3.3Å; F335-P337 WeakPolarHBondContact O-CD 3.37Å; P337-L346 VanDerWaalsContact CA-CD1 3.47Å; P337-L346 HydrophobicContact CB-CD1 3.84Å; P337-L346 HydrophobicContact CG-CD1 3.77Å
338I92.4Very high94Very high110 Ų11048 Ų4856%0.56422%0.223SC*.THydrogen-bonded Turntrans-76.2-43.7-179.8-58.8174.4000110D336 G366 R367D336-I338 PolarHBondContact O-N 3.28Å; D336-I338 WeakPolarHBondContact OD1-CB 3.46Å; D336-I338 PolarHBondContact OD1-N 3.19Å; I338-G366 CarbonylContact O-C 3.55Å; I338-R367 WeakPolarHBondContact O-CA 3.32Å; I338-R367 WeakPolarHBondContact O-CG 3.45Å; I338-R367 PolarHBondContact O-N 3.2Å
339S94.1Very high94.1Very high0 Ų049.2 Ų49.20%023%0.229CC..THydrogen-bonded Turntrans-68.9-32.2177.774.90000113.5D336 N341 R367 F368 Q374D336-S339 PolarHBondContact O-N 3.15Å; D336-S339 PolarHBondContact O-OG 3.46Å; D336-S339 WeakPolarHBondContact OD2-CB 3.41Å; D336-S339 PolarHBondContact OD2-N 3.15Å; D336-S339 PolarHBondContact OD2-OG 2.93Å; S339-N341 PolarHBondContact O-N 3.05Å; S339-R367 WeakPolarHBondContact O-CA 3.48Å; S339-F368 VanDerWaalsContact O-CD2 3.25Å; S339-F368 WeakPolarHBondContact O-CD2 3.35Å; S339-F368 PolarHBondContact O-N 3.41Å; S339-Q374 PolarHBondContact OG-N 3.48Å
340A94.3Very high94.3Very high2 Ų250.1 Ų50.12%0.01723%0.233CC..SBendtrans-57.5132.5-168.700000113.8D336 F344 L346 R367 V373D336-A340 PolarHBondContact O-N 3.2Å; A340-F344 HydrophobicContact CB-CB 4.35Å; A340-L346 HydrophobicContact CB-CD1 4.37Å; A340-R367 WeakPolarHBondContact O-CD 3.44Å; A340-R367 VanDerWaalsContact O-CG 3.29Å; A340-R367 WeakPolarHBondContact O-CG 3.49Å; A340-R367 PolarHBondContact O-NH1 3.37Å; A340-V373 HydrophobicContact CB-CB 4.31Å; A340-V373 HydrophobicContact CB-CG2 3.77Å
341N93.8Very high94.3Very high2 Ų251.9 Ų51.91%0.01124%0.242CC..  trans-53.3152.5172.7-176.1-93.4000112.7S339 H343 F344 R367 F368 E369 L370 Q372S339-N341 PolarHBondContact O-N 3.05Å; N341-H343 PolarHBondContact O-N 3.36Å; N341-H343 VanDerWaalsContact O-N 3.11Å; N341-H343 WeakPolarHBondContact OD1-CB 3.35Å; N341-H343 PolarHBondContact OD1-CD2 3.15Å; N341-H343 PolarHBondContact OD1-N 3.42Å; N341-F344 HydrophobicContact CB-CD1 4.44Å; N341-F344 HydrophobicContact CB-CD2 4.21Å; N341-F344 HydrophobicContact CB-CG 4.19Å; N341-F344 WeakPolarHBondContact O-CB 3.49Å; N341-F344 PolarHBondContact O-N 3.13Å; N341-R367 PolarHBondContact O-NH1 3.44Å; N341-F368 PolarHBondContact ND2-O 3.36Å; N341-E369 PolarHBondContact ND2-O 2.98Å; N341-L370 VanDerWaalsContact CB-O 3.32Å; N341-L370 WeakPolarHBondContact CB-O 3.42Å; N341-L370 PolarHBondContact ND2-O 2.99Å; N341-Q372 PolarHBondContact N-O 3.4Å; N341-Q372 VanDerWaalsContact N-O 3.14Å
342R92Very high94.4Very high113 Ų11351.9 Ų51.943%0.42624%0.244SC..THydrogen-bonded Turntrans-60.6-21.1-178.971.9-178.571.8178.32.8114.8S359 Q360R342-S359 CarbonylContact O-C 3.51Å; R342-S359 WeakPolarHBondContact O-CA 3.39Å; R342-Q360 PolarHBondContact O-N 2.81Å
343H92.4Very high94.6Very high50 Ų5050.1 Ų50.123%0.23123%0.234CC..THydrogen-bonded Turntrans-91.4-1.7177.6-66.9-84.2000113.2N341 C356 R357N341-H343 PolarHBondContact O-N 3.36Å; N341-H343 VanDerWaalsContact O-N 3.11Å; N341-H343 WeakPolarHBondContact OD1-CB 3.35Å; N341-H343 PolarHBondContact OD1-CD2 3.15Å; N341-H343 PolarHBondContact OD1-N 3.42Å; H343-C356 PolarHBondContact O-N 3.3Å; H343-R357 PolarHBondContact ND1-O 2.91Å
344F94.4Very high94.6Very high2 Ų254.6 Ų54.61%0.00925%0.254CS..EExtended strand (participates in β ladder)trans-94.1130.6-179.8-73.82.7000111.3A340 N341 V353 K354 H355 Q360 W371 Q372 V373 L491A340-F344 HydrophobicContact CB-CB 4.35Å; N341-F344 HydrophobicContact CB-CD1 4.44Å; N341-F344 HydrophobicContact CB-CD2 4.21Å; N341-F344 HydrophobicContact CB-CG 4.19Å; N341-F344 WeakPolarHBondContact O-CB 3.49Å; N341-F344 PolarHBondContact O-N 3.13Å; F344-V353 HydrophobicContact CB-CG2 3.74Å; F344-V353 HydrophobicContact CD2-CG2 3.69Å; F344-V353 HydrophobicContact CE2-CG2 4.39Å; F344-V353 HydrophobicContact CG-CG2 3.79Å; F344-K354 WeakPolarHBondContact CA-O 3.35Å; F344-H355 HydrophobicContact CD1-CB 3.91Å; F344-H355 AromaticContact CD1-CD2 3.97Å; F344-H355 AromaticContact CD1-CG 3.85Å; F344-H355 HydrophobicContact CE1-CB 3.68Å; F344-H355 AromaticContact CE1-CD2 3.91Å; F344-H355 AromaticContact CE1-CG 3.48Å; F344-H355 VanDerWaalsContact CE1-CG 3.48Å; F344-H355 AromaticContact CE1-ND1 3.66Å; F344-Q360 PolarHBondContact O-NE2 3.03Å; F344-Q360 VanDerWaalsContact O-NE2 3.15Å; F344-W371 HydrophobicContact CE1-CB 3.95Å; F344-W371 HydrophobicContact CZ-CB 3.88Å; F344-W371 WeakPolarHBondContact CZ-O 3.11Å; F344-Q372 VanDerWaalsContact CE2-C 3.49Å; F344-V373 HydrophobicContact CD2-CB 3.86Å; F344-V373 HydrophobicContact CD2-CG1 3.99Å; F344-V373 HydrophobicContact CE2-CB 4.01Å; F344-V373 HydrophobicContact CE2-CG1 3.88Å; F344-L491 HydrophobicContact CD2-CD2 4.35Å; F344-L491 HydrophobicContact CE1-CD2 4.02Å; F344-L491 HydrophobicContact CE1-CG 3.95Å; F344-L491 HydrophobicContact CE2-CD2 3.51Å; F344-L491 HydrophobicContact CE2-CG 4.34Å; F344-L491 HydrophobicContact CZ-CD2 3.29Å; F344-L491 HydrophobicContact CZ-CG 3.64Å
345Y94.3Very high94.5Very high129 Ų12953.1 Ų53.151%0.50624%0.244SC..EExtended strand (participates in β ladder)trans-107.3114.1174.6-175.7-88.3000110.1V353 K354 Q360Y345-V353 WeakPolarHBondContact O-CA 3.44Å; Y345-K354 PolarHBondContact N-O 2.91Å; Y345-K354 PolarHBondContact O-N 3.42Å; Y345-Q360 VanDerWaalsContact CA-NE2 3.26Å
346L94.6Very high94.2Very high26 Ų2655 Ų5514%0.13626%0.257CS..EExtended strand (participates in β ladder)trans-87139.6174-60.3-176.3000110.5F335 P337 A340 D350 Q352 V353F335-L346 HydrophobicContact CB-CD1 4.11Å; F335-L346 HydrophobicContact CB-CD2 3.59Å; F335-L346 HydrophobicContact CD2-CD2 4.13Å; F335-L346 HydrophobicContact CG-CD2 4.05Å; P337-L346 VanDerWaalsContact CA-CD1 3.47Å; P337-L346 HydrophobicContact CB-CD1 3.84Å; P337-L346 HydrophobicContact CG-CD1 3.77Å; A340-L346 HydrophobicContact CB-CD1 4.37Å; L346-D350 WeakPolarHBondContact CB-OD1 3.3Å; L346-D350 HydrophobicContact CD1-CB 4.43Å; L346-Q352 CarbonylContact C-O 3.59Å; L346-Q352 WeakPolarHBondContact CA-O 3.49Å; L346-V353 HydrophobicContact CD2-CB 3.58Å; L346-V353 HydrophobicContact CD2-CG2 3.68Å
347S94.8Very high93.9Very high27 Ų2762.9 Ų62.919%0.18928%0.284CS..EExtended strand (participates in β ladder)trans-151.1171.6-178.168.20000111D350 Q351 Q352S347-D350 PolarHBondContact O-N 3.44Å; S347-Q351 PolarHBondContact O-N 2.9Å; S347-Q352 PolarHBondContact N-O 3.48Å; S347-Q352 PolarHBondContact O-N 3.43Å; S347-Q352 PolarHBondContact OG-OE1 3.43Å
348R91.4Very high93.6Very high166 Ų16668.1 Ų68.163%0.62630%0.304SS*.THydrogen-bonded Turntrans54.953.3-177.9-56.1-176.8177.2-159.4-3.6111.9D350 Q351 Q352R348-D350 VanDerWaalsContact C-N 3.31Å; R348-D350 PolarHBondContact O-N 3.39Å; R348-Q351 HydrophobicContact CB-CB 4.41Å; R348-Q351 VanDerWaalsContact O-CB 3.29Å; R348-Q351 WeakPolarHBondContact O-CB 3.34Å; R348-Q351 WeakPolarHBondContact O-CG 3.43Å; R348-Q351 PolarHBondContact O-N 3.33Å; R348-Q352 HydrophobicContact CB-CB 4.46Å; R348-Q352 HydrophobicContact CG-CB 4.41Å
349Q92.2Very high93.2Very high168 Ų16866 Ų6679%0.78530%0.299SS*.THydrogen-bonded Turntrans54.748.6-177-56.8173.9-12.300111.6Q351Q349-Q351 PolarHBondContact O-N 3.36Å; Q349-Q351 VanDerWaalsContact O-N 3.09Å
350D94.8Very high92.4Very high57 Ų5770.7 Ų70.731%0.30532%0.321SS..THydrogen-bonded Turntrans58.820.5179.9-51.7-38.9000115.6F335 L346 S347 R348F335-D350 WeakPolarHBondContact CB-O 3.49Å; F335-D350 VanDerWaalsContact CD2-O 3.28Å; F335-D350 WeakPolarHBondContact CD2-O 3.28Å; F335-D350 PolarHBondContact N-O 2.89Å; F335-D350 WeakPolarHBondContact O-CB 2.98Å; L346-D350 WeakPolarHBondContact CB-OD1 3.3Å; L346-D350 HydrophobicContact CD1-CB 4.43Å; S347-D350 PolarHBondContact O-N 3.44Å; R348-D350 VanDerWaalsContact C-N 3.31Å; R348-D350 PolarHBondContact O-N 3.39Å
351Q95.4Very high91.2Very high43 Ų4372.1 Ų72.120%0.20134%0.336CS..THydrogen-bonded Turntrans-85.4-19.9174.2-61.9175.317.100113F335 S347 R348 Q349 T498 L499 H501F335-Q351 VanDerWaalsContact CE2-O 3.31Å; F335-Q351 WeakPolarHBondContact CE2-O 3.43Å; S347-Q351 PolarHBondContact O-N 2.9Å; R348-Q351 HydrophobicContact CB-CB 4.41Å; R348-Q351 VanDerWaalsContact O-CB 3.29Å; R348-Q351 WeakPolarHBondContact O-CB 3.34Å; R348-Q351 WeakPolarHBondContact O-CG 3.43Å; R348-Q351 PolarHBondContact O-N 3.33Å; Q349-Q351 PolarHBondContact O-N 3.36Å; Q349-Q351 VanDerWaalsContact O-N 3.09Å; Q351-T498 WeakPolarHBondContact O-CA 3.42Å; Q351-L499 PolarHBondContact O-N 2.87Å; Q351-H501 VanDerWaalsContact CD-CE1 3.45Å; Q351-H501 PolarHBondContact NE2-CE1 2.94Å; Q351-H501 VanDerWaalsContact NE2-CE1 3.29Å; Q351-H501 PolarHBondContact NE2-ND1 3.48Å
352Q97.4Very high89.9Confident37 Ų3778 Ų7817%0.17337%0.374CS..EExtended strand (participates in β ladder)trans-125.3129.9-176.7178.2172.697.600110.5L346 S347 R348 T496 L497 T498L346-Q352 CarbonylContact C-O 3.59Å; L346-Q352 WeakPolarHBondContact CA-O 3.49Å; S347-Q352 PolarHBondContact N-O 3.48Å; S347-Q352 PolarHBondContact O-N 3.43Å; S347-Q352 PolarHBondContact OG-OE1 3.43Å; R348-Q352 HydrophobicContact CB-CB 4.46Å; R348-Q352 HydrophobicContact CG-CB 4.41Å; Q352-T496 HydrophobicContact CG-CG2 3.47Å; Q352-T496 VanDerWaalsContact CG-CG2 3.47Å; Q352-L497 WeakPolarHBondContact CA-O 3.45Å; Q352-T498 HydrophobicContact CB-CG2 4.35Å; Q352-T498 PolarHBondContact NE2-OG1 3.41Å
353V97.4Very high88.5Confident0 Ų074.8 Ų74.80%038%0.377CS..EExtended strand (participates in β ladder)trans-114.7131.7172.563.70000110.1F335 F344 Y345 L346 V373 L491 T496 L497F335-V353 HydrophobicContact CD1-CG1 4.33Å; F335-V353 HydrophobicContact CD2-CB 3.89Å; F335-V353 HydrophobicContact CD2-CG1 4.04Å; F335-V353 HydrophobicContact CE1-CG1 3.86Å; F335-V353 HydrophobicContact CE2-CB 3.87Å; F335-V353 HydrophobicContact CE2-CG1 3.55Å; F335-V353 HydrophobicContact CG-CB 4.28Å; F335-V353 HydrophobicContact CG-CG1 4.41Å; F335-V353 HydrophobicContact CZ-CB 4.23Å; F335-V353 HydrophobicContact CZ-CG1 3.45Å; F335-V353 VanDerWaalsContact CZ-CG1 3.45Å; F344-V353 HydrophobicContact CB-CG2 3.74Å; F344-V353 HydrophobicContact CD2-CG2 3.69Å; F344-V353 HydrophobicContact CE2-CG2 4.39Å; F344-V353 HydrophobicContact CG-CG2 3.79Å; Y345-V353 WeakPolarHBondContact O-CA 3.44Å; L346-V353 HydrophobicContact CD2-CB 3.58Å; L346-V353 HydrophobicContact CD2-CG2 3.68Å; V353-V373 HydrophobicContact CG1-CG1 4.28Å; V353-V373 HydrophobicContact CG2-CG1 4.35Å; V353-L491 HydrophobicContact CG1-CD1 4.34Å; V353-L491 HydrophobicContact CG1-CD2 3.97Å; V353-L491 HydrophobicContact CG2-CD2 4.46Å; V353-T496 CarbonylContact O-C 3.41Å; V353-T496 VanDerWaalsContact O-CA 3.28Å; V353-T496 WeakPolarHBondContact O-CA 3.33Å; V353-T496 WeakPolarHBondContact O-CG2 3.49Å; V353-L497 HydrophobicContact CG1-CB 3.8Å; V353-L497 PolarHBondContact N-O 2.97Å; V353-L497 PolarHBondContact O-N 2.83Å
354K96.6Very high87.5Confident95 Ų9581.3 Ų81.341%0.41340%0.399SS..EExtended strand (participates in β ladder)trans-121.3133.3174.7-179.2174.7-179.7179.30110.2F344 Y345 T496F344-K354 WeakPolarHBondContact CA-O 3.35Å; Y345-K354 PolarHBondContact N-O 2.91Å; Y345-K354 PolarHBondContact O-N 3.42Å; K354-T496 HydrophobicContact CB-CG2 4.39Å
355H95.3Very high86.6Confident2 Ų287.2 Ų87.21%0.00944%0.437CS..EExtended strand (participates in β ladder)trans-88.1111.8173.6-171175.8000110.1F344 W371 L491 L492 E493 G494 R495F344-H355 HydrophobicContact CD1-CB 3.91Å; F344-H355 AromaticContact CD1-CD2 3.97Å; F344-H355 AromaticContact CD1-CG 3.85Å; F344-H355 HydrophobicContact CE1-CB 3.68Å; F344-H355 AromaticContact CE1-CD2 3.91Å; F344-H355 AromaticContact CE1-CG 3.48Å; F344-H355 VanDerWaalsContact CE1-CG 3.48Å; F344-H355 AromaticContact CE1-ND1 3.66Å; H355-W371 AromaticContact CE1-CD1 3.74Å; H355-W371 AromaticContact CE1-CD2 3.39Å; H355-W371 AromaticContact CE1-CE2 3.67Å; H355-W371 AromaticContact CE1-CE3 3.81Å; H355-W371 AromaticContact CE1-CG 3.47Å; H355-W371 VanDerWaalsContact CE1-CG 3.47Å; H355-W371 AromaticContact CE1-NE1 3.86Å; H355-W371 AromaticContact NE2-CD1 3.83Å; H355-W371 AromaticContact NE2-NE1 3.84Å; H355-L491 HydrophobicContact CB-CD1 3.83Å; H355-L491 HydrophobicContact CB-CG 4.14Å; H355-L491 PolarHBondContact ND1-O 3.42Å; H355-L492 WeakPolarHBondContact CB-O 3.3Å; H355-L492 PolarHBondContact ND1-O 2.94Å; H355-E493 VanDerWaalsContact ND1-CA 3.34Å; H355-E493 WeakPolarHBondContact ND1-CA 3.38Å; H355-E493 PolarHBondContact ND1-N 3.2Å; H355-E493 VanDerWaalsContact ND1-N 3.12Å; H355-G494 PolarHBondContact O-N 2.92Å; H355-R495 PolarHBondContact N-O 2.93Å
356C92.5Very high85.9Confident39 Ų3982.7 Ų82.726%0.26443%0.43SS..  trans-104.6147.8-178.9-660000111.7H343 Q358H343-C356 PolarHBondContact O-N 3.3Å; C356-Q358 VanDerWaalsContact C-N 3.3Å; C356-Q358 PolarHBondContact O-N 3.02Å
357R87.9Confident85.7Confident195 Ų19583.8 Ų83.874%0.73643%0.432SS*.SBendtrans-57.7-42.3172.7-78.5179.1-179.6-172.50.3112.7H343 E493H343-R357 PolarHBondContact ND1-O 2.91Å; R357-E493 WeakPolarHBondContact CD-OE1 3.3Å; R357-E493 HydrophobicContact CG-CG 4.03Å; R357-E493 WeakPolarHBondContact CG-OE1 3.47Å; R357-E493 IonicContact CZ-OE1 3.82Å; R357-E493 IonicContact NE-OE1 3.3Å; R357-E493 PolarHBondContact NE-OE1 2.97Å; R357-E493 IonicContact NH2-OE1 3.98Å; R357-E493 PolarHBondContact NH2-OE1 3Å
358Q87.1Confident85.6Confident168 Ų16882.7 Ų82.779%0.78542%0.424SS*.SBendtrans-83.6132.1-177.8-65178.73.200110.9C356C356-Q358 VanDerWaalsContact C-N 3.3Å; C356-Q358 PolarHBondContact O-N 3.02Å
359S84.7Confident85.5Confident65 Ų6579.9 Ų79.946%0.45542%0.418SS..  trans-79.5148.2176.363.50000112.3R342 G361R342-S359 CarbonylContact O-C 3.51Å; R342-S359 WeakPolarHBondContact O-CA 3.39Å; S359-G361 PolarHBondContact O-N 2.8Å
360Q77.1Confident85.4Confident98 Ų9872 Ų7246%0.45838%0.382SS..  trans-80.418.2179.5-58.9-162.4-11.400115.6R342 F344 Y345R342-Q360 PolarHBondContact O-N 2.81Å; F344-Q360 PolarHBondContact O-NE2 3.03Å; F344-Q360 VanDerWaalsContact O-NE2 3.15Å; Y345-Q360 VanDerWaalsContact CA-NE2 3.26Å
361G68.9Low85.4Confident32 Ų3273.1 Ų73.133%0.3338%0.382SS..SBendtrans105.3-170.3179.500000114.7S359S359-G361 PolarHBondContact O-N 2.8Å
362P67Low85.4Confident125 Ų12571.1 Ų71.181%0.81237%0.372SS*.SBendtrans-65.8145-173.724.6-31.3000112.4R364P362-R364 PolarHBondContact O-N 2.82Å
363G63.4Low85.3Confident47 Ų4769.3 Ų69.349%0.48536%0.364SS..PPolyproline II helixtrans-64.3130.2-17300000112.9
364R70.3Confident85.3Confident187 Ų18769.9 Ų69.971%0.70637%0.366SS*.PPolyproline II helixtrans-84.9152.3169-63.6-175.3-176.8-179.9-0.8110.3P362 G366 R367P362-R364 PolarHBondContact O-N 2.82Å; R364-G366 PolarHBondContact O-N 3.19Å; R364-R367 PolarHBondContact O-N 2.71Å
365P76.7Confident85.4Confident125 Ų12565.6 Ų65.681%0.81235%0.348SS*.THydrogen-bonded Turntrans-54.3136.1172.2-19.329.7000110.4
366G79.5Confident85.4Confident34 Ų3469.6 Ų69.635%0.35137%0.373SS..THydrogen-bonded Turntrans96.9-7.9177.800000116.2I338 R364 R406I338-G366 CarbonylContact O-C 3.55Å; R364-G366 PolarHBondContact O-N 3.19Å; G366-R406 WeakPolarHBondContact O-CD 3.48Å; G366-R406 PolarHBondContact O-NH1 2.85Å
367R90Very high85.5Confident49 Ų4969.3 Ų69.319%0.18537%0.368CS..  trans-73.6148.9177.1-70.2-176.3176-114.78.4113.1I338 S339 A340 N341 R364I338-R367 WeakPolarHBondContact O-CA 3.32Å; I338-R367 WeakPolarHBondContact O-CG 3.45Å; I338-R367 PolarHBondContact O-N 3.2Å; S339-R367 WeakPolarHBondContact O-CA 3.48Å; A340-R367 WeakPolarHBondContact O-CD 3.44Å; A340-R367 VanDerWaalsContact O-CG 3.29Å; A340-R367 WeakPolarHBondContact O-CG 3.49Å; A340-R367 PolarHBondContact O-NH1 3.37Å; N341-R367 PolarHBondContact O-NH1 3.44Å; R364-R367 PolarHBondContact O-N 2.71Å
368F91.8Very high85.9Confident4 Ų463.3 Ų63.32%0.01836%0.356CS..  trans-68.3133.9163.8-76.7-80.2000110.9S339 N341 L370 Q372 Q374 L404 R406S339-F368 VanDerWaalsContact O-CD2 3.25Å; S339-F368 WeakPolarHBondContact O-CD2 3.35Å; S339-F368 PolarHBondContact O-N 3.41Å; N341-F368 PolarHBondContact ND2-O 3.36Å; F368-L370 WeakPolarHBondContact CB-O 3.36Å; F368-Q372 HydrophobicContact CB-CB 3.92Å; F368-Q372 HydrophobicContact CD1-CB 3.91Å; F368-Q372 VanDerWaalsContact CD1-NE2 3.31Å; F368-Q372 HydrophobicContact CD2-CB 3.9Å; F368-Q372 HydrophobicContact CE1-CB 4.48Å; F368-Q372 HydrophobicContact CE2-CB 4.46Å; F368-Q372 HydrophobicContact CG-CB 3.64Å; F368-Q374 HydrophobicContact CE2-CG 3.81Å; F368-Q374 HydrophobicContact CZ-CG 4.12Å; F368-L404 HydrophobicContact CE1-CD2 4.22Å; F368-L404 HydrophobicContact CE1-CG 4.48Å; F368-L404 HydrophobicContact CZ-CD2 4.23Å; F368-R406 HydrophobicContact CD1-CB 3.97Å; F368-R406 HydrophobicContact CD1-CG 3.96Å; F368-R406 HydrophobicContact CE1-CB 4.19Å; F368-R406 HydrophobicContact CE1-CG 3.75Å; F368-R406 HydrophobicContact CZ-CG 4.16Å
369E90.1Very high86.2Confident107 Ų10755.6 Ų55.650%0.532%0.319SS..SBendtrans-69.9-41.4168.1-171.6-163.5163.500110.7N341 R406 C407 R408N341-E369 PolarHBondContact ND2-O 2.98Å; E369-R406 WeakPolarHBondContact CB-O 3.29Å; E369-R406 PolarHBondContact N-O 3.49Å; E369-C407 VanDerWaalsContact OE2-CA 3.29Å; E369-C407 WeakPolarHBondContact OE2-CA 3.43Å; E369-C407 WeakPolarHBondContact OE2-CB 3.23Å; E369-R408 PolarHBondContact OE2-N 3.06Å
370L90.3Very high86.5Confident4 Ų460.1 Ų60.12%0.02133%0.333CS..SBendtrans-73.4163.9173.2-64.6171.8000111.2N341 F368 Q372 R408 N415N341-L370 VanDerWaalsContact CB-O 3.32Å; N341-L370 WeakPolarHBondContact CB-O 3.42Å; N341-L370 PolarHBondContact ND2-O 2.99Å; F368-L370 WeakPolarHBondContact CB-O 3.36Å; L370-Q372 HydrophobicContact CB-CG 4.41Å; L370-Q372 PolarHBondContact O-N 3.3Å; L370-R408 HydrophobicContact CD2-CB 3.91Å; L370-R408 HydrophobicContact CD2-CG 4.09Å; L370-R408 HydrophobicContact CG-CB 4.36Å; L370-N415 HydrophobicContact CD1-CB 4.22Å; L370-N415 WeakPolarHBondContact CD1-ND2 3.06Å; L370-N415 WeakPolarHBondContact CD1-OD1 3.38Å
371W93.6Very high87Confident80 Ų8059.1 Ų59.130%0.30334%0.342SS..SBendtrans-74.264.5179.8-54.8-37.6000111.9F344 H355 W490 L492F344-W371 HydrophobicContact CE1-CB 3.95Å; F344-W371 HydrophobicContact CZ-CB 3.88Å; F344-W371 WeakPolarHBondContact CZ-O 3.11Å; H355-W371 AromaticContact CE1-CD1 3.74Å; H355-W371 AromaticContact CE1-CD2 3.39Å; H355-W371 AromaticContact CE1-CE2 3.67Å; H355-W371 AromaticContact CE1-CE3 3.81Å; H355-W371 AromaticContact CE1-CG 3.47Å; H355-W371 VanDerWaalsContact CE1-CG 3.47Å; H355-W371 AromaticContact CE1-NE1 3.86Å; H355-W371 AromaticContact NE2-CD1 3.83Å; H355-W371 AromaticContact NE2-NE1 3.84Å; W371-W490 HydrophobicContact CE3-CZ2 4.11Å; W371-W490 AromaticContact CE3-NE1 3.95Å; W371-W490 WeakPolarHBondContact O-CA 3.37Å; W371-L492 HydrophobicContact CZ3-CD1 4.3Å
372Q95.6Very high88Confident0 Ų059.2 Ų59.20%034%0.343CS..EExtended strand (participates in β ladder)trans-127.1155.2-175.4-75.9170.8-14700111.9N341 F344 F368 L370 D414 I416 F489 W490N341-Q372 PolarHBondContact N-O 3.4Å; N341-Q372 VanDerWaalsContact N-O 3.14Å; F344-Q372 VanDerWaalsContact CE2-C 3.49Å; F368-Q372 HydrophobicContact CB-CB 3.92Å; F368-Q372 HydrophobicContact CD1-CB 3.91Å; F368-Q372 VanDerWaalsContact CD1-NE2 3.31Å; F368-Q372 HydrophobicContact CD2-CB 3.9Å; F368-Q372 HydrophobicContact CE1-CB 4.48Å; F368-Q372 HydrophobicContact CE2-CB 4.46Å; F368-Q372 HydrophobicContact CG-CB 3.64Å; L370-Q372 HydrophobicContact CB-CG 4.41Å; L370-Q372 PolarHBondContact O-N 3.3Å; Q372-D414 VanDerWaalsContact OE1-CA 3.28Å; Q372-I416 HydrophobicContact CG-CD1 4.43Å; Q372-F489 CarbonylContact C-O 3.55Å; Q372-F489 VanDerWaalsContact CA-O 3.26Å; Q372-F489 WeakPolarHBondContact CA-O 3.45Å; Q372-W490 HydrophobicContact CG-CB 4.27Å
373V96.5Very high89.3Confident0 Ų056 Ų560%032%0.317CS..EExtended strand (participates in β ladder)trans-147.3143.3171.3610000109.7F335 A340 F344 V353 V488 F489F335-V373 HydrophobicContact CB-CG2 3.99Å; F335-V373 HydrophobicContact CD1-CG1 3.74Å; F335-V373 HydrophobicContact CD1-CG2 4Å; F335-V373 HydrophobicContact CE1-CG1 4.01Å; F335-V373 HydrophobicContact CG-CG2 4.35Å; A340-V373 HydrophobicContact CB-CB 4.31Å; A340-V373 HydrophobicContact CB-CG2 3.77Å; F344-V373 HydrophobicContact CD2-CB 3.86Å; F344-V373 HydrophobicContact CD2-CG1 3.99Å; F344-V373 HydrophobicContact CE2-CB 4.01Å; F344-V373 HydrophobicContact CE2-CG1 3.88Å; V353-V373 HydrophobicContact CG1-CG1 4.28Å; V353-V373 HydrophobicContact CG2-CG1 4.35Å; V373-V488 WeakPolarHBondContact O-CA 3.41Å; V373-F489 HydrophobicContact CG1-CB 4.11Å; V373-F489 PolarHBondContact N-O 3.16Å; V373-F489 PolarHBondContact O-N 2.9Å
374Q97Very high90.8Very high12 Ų1254.5 Ų54.56%0.05630%0.297CS..EExtended strand (participates in β ladder)trans-102.5161.6172.4-79.5171.9-33.100110.4D336 S339 F368 S400 T486 P487 V488D336-Q374 PolarHBondContact N-O 3.24Å; S339-Q374 PolarHBondContact OG-N 3.48Å; F368-Q374 HydrophobicContact CE2-CG 3.81Å; F368-Q374 HydrophobicContact CZ-CG 4.12Å; Q374-S400 PolarHBondContact NE2-OG 3.32Å; Q374-T486 HydrophobicContact CB-CG2 3.9Å; Q374-T486 HydrophobicContact CG-CG2 4.15Å; Q374-P487 CarbonylContact C-O 3.5Å; Q374-P487 VanDerWaalsContact CA-O 3.3Å; Q374-P487 WeakPolarHBondContact CA-O 3.29Å; Q374-V488 HydrophobicContact CG-CB 4Å; Q374-V488 HydrophobicContact CG-CG2 3.85Å
375C97.3Very high92.1Very high5 Ų545.6 Ų45.63%0.03426%0.264CS..BIsolated β-bridgetrans-78158.1164.1-75.50000111.4T334 Q377 T486 P487T334-C375 CarbonylContact O-C 3.5Å; T334-C375 WeakPolarHBondContact O-CA 3.49Å; T334-C375 WeakPolarHBondContact O-CB 3.37Å; C375-Q377 VanDerWaalsContact C-N 3.26Å; C375-T486 VanDerWaalsContact O-CG2 3.32Å; C375-T486 WeakPolarHBondContact O-CG2 3.4Å; C375-P487 HydrophobicContact CB-CB 4.11Å; C375-P487 HydrophobicContact CB-CG 4.3Å; C375-P487 PolarHBondContact N-O 2.76Å
376T95.8Very high93.1Very high86 Ų8639.8 Ų39.853%0.52823%0.226SC..SBendtrans-67.1-31.3172.2-470000111.6T334T334-T376 PolarHBondContact O-N 3.04Å; T334-T376 PolarHBondContact O-OG1 3.33Å; T334-T376 PolarHBondContact OG1-OG1 3.22Å
377Q95.6Very high93.9Very high32 Ų3238.4 Ų38.415%0.1521%0.21CC..  trans-83.2137.8-176.3-58.877.112.400111.4L333 T334 C375 F379 P487 F507L333-Q377 HydrophobicContact CD2-CB 4.1Å; L333-Q377 HydrophobicContact CD2-CG 4.07Å; T334-Q377 PolarHBondContact O-OE1 3.28Å; T334-Q377 PolarHBondContact OG1-NE2 3.08Å; C375-Q377 VanDerWaalsContact C-N 3.26Å; Q377-F379 HydrophobicContact CB-CZ 4.26Å; Q377-P487 WeakPolarHBondContact O-CD 3.31Å; Q377-F507 HydrophobicContact CB-CZ 3.98Å; Q377-F507 HydrophobicContact CG-CE2 3.79Å; Q377-F507 HydrophobicContact CG-CZ 3.48Å; Q377-F507 VanDerWaalsContact CG-CZ 3.48Å
378S94.9Very high94.2Very high69 Ų6936.1 Ų36.148%0.48320%0.201SC..  trans-123.4152.2169.169.10000110.6L485S378-L485 CarbonylContact C-O 3.58Å; S378-L485 WeakPolarHBondContact CA-O 3.45Å
379F94.6Very high94.4Very high6 Ų640.6 Ų40.63%0.02622%0.218CC..BIsolated β-bridgetrans-124.3125.4-175.7-54.3-65.2000110.7R331 L333 Q377 H384 W386 L455 L457 P484 L485 P487 F507R331-F379 HydrophobicContact CB-CZ 4.4Å; R331-F379 HydrophobicContact CG-CE1 4.26Å; R331-F379 HydrophobicContact CG-CZ 4.38Å; L333-F379 HydrophobicContact CD2-CE2 4.42Å; L333-F379 HydrophobicContact CD2-CZ 3.73Å; Q377-F379 HydrophobicContact CB-CZ 4.26Å; F379-H384 HydrophobicContact CD1-CB 4.34Å; F379-H384 AromaticContact CD1-CD2 3.68Å; F379-H384 AromaticContact CD1-CE1 3.5Å; F379-H384 VanDerWaalsContact CD1-CE1 3.5Å; F379-H384 WeakPolarHBondContact CD1-CE1 3.36Å; F379-H384 AromaticContact CD1-CG 3.55Å; F379-H384 AromaticContact CD1-ND1 3.45Å; F379-H384 WeakPolarHBondContact CD1-ND1 3.32Å; F379-H384 AromaticContact CD1-NE2 3.63Å; F379-H384 HydrophobicContact CD2-CB 4.47Å; F379-H384 HydrophobicContact CE1-CB 4.29Å; F379-H384 AromaticContact CE1-CG 3.84Å; F379-H384 AromaticContact CE1-ND1 3.6Å; F379-H384 HydrophobicContact CE2-CB 4.41Å; F379-H384 HydrophobicContact CG-CB 4.42Å; F379-H384 AromaticContact CG-CD2 3.67Å; F379-H384 AromaticContact CG-CG 3.83Å; F379-H384 AromaticContact CG-NE2 3.94Å; F379-H384 HydrophobicContact CZ-CB 4.32Å; F379-W386 HydrophobicContact CD2-CZ3 4.43Å; F379-W386 HydrophobicContact CE2-CE3 4.38Å; F379-W386 HydrophobicContact CE2-CH2 4.38Å; F379-W386 AromaticContact CE2-CZ3 3.92Å; F379-W386 HydrophobicContact CE2-CZ3 3.92Å; F379-L455 HydrophobicContact CB-CD2 4.32Å; F379-L455 HydrophobicContact CD2-CD2 4.06Å; F379-L457 HydrophobicContact CB-CD1 3.78Å; F379-P484 CarbonylContact O-C 3.17Å; F379-P484 VanDerWaalsContact O-CA 3.3Å; F379-P484 WeakPolarHBondContact O-CA 3.31Å; F379-L485 PolarHBondContact N-O 3.47Å; F379-L485 PolarHBondContact O-N 2.87Å; F379-P487 HydrophobicContact CD2-CG 4.5Å; F379-P487 HydrophobicContact CE2-CG 3.9Å; F379-F507 HydrophobicContact CE1-CZ 4.22Å
380Q90.3Very high94.6Very high160 Ų16035.9 Ų35.975%0.74820%0.197SC*.SBendtrans-110.5-24.8-179.8-171.6174.514.400113.2P484Q380-P484 HydrophobicContact CB-CB 4.45Å; Q380-P484 HydrophobicContact CB-CG 4.28Å; Q380-P484 HydrophobicContact CG-CG 4.13Å
381A89.1Confident94.8Very high77 Ų7737.8 Ų37.864%0.63621%0.211SC*.SBendtrans-155.1154.5176.300000111.4H384A381-H384 PolarHBondContact O-NE2 3.32Å
382G89.5Confident94.6Very high34 Ų3436.3 Ų36.335%0.35121%0.209SC..SBendtrans100.3-167.4174.700000114.3L457G382-L457 WeakPolarHBondContact O-CB 3.24Å; G382-L457 PolarHBondContact O-N 3.44Å
383H92.9Very high94.2Very high57 Ų5739.3 Ų39.326%0.26422%0.223SC..EExtended strand (participates in β ladder)trans-114.6128.1-178.2-164.9170.7000109.2N329 D454 L455N329-H383 HydrophobicContact CB-CB 4.45Å; N329-H383 PolarHBondContact ND2-CE1 3.31Å; N329-H383 PolarHBondContact ND2-ND1 3.44Å; H383-D454 IonicContact CD2-OD1 3.74Å; H383-D454 PolarHBondContact CD2-OD1 2.73Å; H383-D454 IonicContact CE1-OD1 3.22Å; H383-D454 IonicContact CE1-OD2 2.68Å; H383-D454 IonicContact NE2-OD1 3.22Å; H383-D454 PolarHBondContact NE2-OD1 2.62Å; H383-D454 IonicContact NE2-OD2 3.75Å; H383-D454 PolarHBondContact NE2-OD2 2.7Å; H383-L455 CarbonylContact C-O 3.55Å; H383-L455 WeakPolarHBondContact CA-O 3.47Å; H383-L455 PolarHBondContact CD2-O 3.01Å
384H95.5Very high94Very high17 Ų1740.4 Ų40.48%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-136.4132.8-173.3-54-75.1000110.8R331 F379 A381 W386 L455R331-H384 HydrophobicContact CG-CB 4.2Å; F379-H384 HydrophobicContact CD1-CB 4.34Å; F379-H384 AromaticContact CD1-CD2 3.68Å; F379-H384 AromaticContact CD1-CE1 3.5Å; F379-H384 VanDerWaalsContact CD1-CE1 3.5Å; F379-H384 WeakPolarHBondContact CD1-CE1 3.36Å; F379-H384 AromaticContact CD1-CG 3.55Å; F379-H384 AromaticContact CD1-ND1 3.45Å; F379-H384 WeakPolarHBondContact CD1-ND1 3.32Å; F379-H384 AromaticContact CD1-NE2 3.63Å; F379-H384 HydrophobicContact CD2-CB 4.47Å; F379-H384 HydrophobicContact CE1-CB 4.29Å; F379-H384 AromaticContact CE1-CG 3.84Å; F379-H384 AromaticContact CE1-ND1 3.6Å; F379-H384 HydrophobicContact CE2-CB 4.41Å; F379-H384 HydrophobicContact CG-CB 4.42Å; F379-H384 AromaticContact CG-CD2 3.67Å; F379-H384 AromaticContact CG-CG 3.83Å; F379-H384 AromaticContact CG-NE2 3.94Å; F379-H384 HydrophobicContact CZ-CB 4.32Å; A381-H384 PolarHBondContact O-NE2 3.32Å; H384-W386 HydrophobicContact CB-CZ3 4.18Å; H384-L455 PolarHBondContact N-O 3.28Å; H384-L455 PolarHBondContact O-N 2.74Å
385Y96.9Very high93.9Very high0 Ų039.9 Ų39.90%023%0.228CC..EExtended strand (participates in β ladder)trans-128140.6178.5178.7-105.2000110.9L326 W327 N329 Y330 R331 E387 M453 D454L326-Y385 HydrophobicContact CB-CD1 3.95Å; L326-Y385 HydrophobicContact CB-CD2 3.95Å; L326-Y385 HydrophobicContact CB-CE1 3.84Å; L326-Y385 HydrophobicContact CB-CE2 3.86Å; L326-Y385 HydrophobicContact CB-CG 3.99Å; L326-Y385 HydrophobicContact CD1-CD2 4.46Å; L326-Y385 HydrophobicContact CD1-CE2 3.74Å; L326-Y385 HydrophobicContact CD2-CD2 3.99Å; L326-Y385 HydrophobicContact CD2-CE2 4.07Å; L326-Y385 HydrophobicContact CG-CD2 4.35Å; L326-Y385 HydrophobicContact CG-CE2 4.1Å; L326-Y385 WeakPolarHBondContact O-CB 3.41Å; L326-Y385 WeakPolarHBondContact O-CD1 3.31Å; W327-Y385 AromaticContact CD1-CE1 3.84Å; N329-Y385 PolarHBondContact O-N 3.22Å; Y330-Y385 CarbonylContact C-O 3.55Å; Y330-Y385 VanDerWaalsContact CA-O 3.29Å; Y330-Y385 WeakPolarHBondContact CA-O 3.38Å; Y330-Y385 AromaticContact CD2-CD1 3.6Å; Y330-Y385 HydrophobicContact CD2-CD1 3.6Å; Y330-Y385 AromaticContact CD2-CE1 3.9Å; Y330-Y385 HydrophobicContact CD2-CE1 3.9Å; Y330-Y385 HydrophobicContact CE2-CD1 4.06Å; Y330-Y385 AromaticContact CE2-CE1 3.97Å; Y330-Y385 HydrophobicContact CE2-CE1 3.97Å; Y330-Y385 HydrophobicContact CG-CD1 4.44Å; R331-Y385 PolarHBondContact N-O 2.98Å; Y385-E387 HydrophobicContact CE1-CG 3.58Å; Y385-E387 WeakPolarHBondContact OH-CG 3.36Å; Y385-E387 PolarHBondContact OH-OE1 3.38Å; Y385-M453 WeakPolarHBondContact CA-O 3.45Å; Y385-M453 WeakPolarHBondContact CD2-O 3.46Å; Y385-D454 HydrophobicContact CD2-CB 3.89Å; Y385-D454 HydrophobicContact CE2-CB 4.47Å
386W97.6Very high93.9Very high2 Ų239.7 Ų39.71%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-147.4157.7171.161.595000111.5L333 F379 H384 V399 M453 L455 P487L333-W386 HydrophobicContact CD1-CB 3.84Å; L333-W386 HydrophobicContact CD1-CD2 3.55Å; L333-W386 HydrophobicContact CD1-CE3 4.11Å; L333-W386 HydrophobicContact CD1-CG 3.42Å; L333-W386 VanDerWaalsContact CD1-CG 3.42Å; L333-W386 HydrophobicContact CG-CB 4.08Å; L333-W386 HydrophobicContact CG-CG 4.21Å; F379-W386 HydrophobicContact CD2-CZ3 4.43Å; F379-W386 HydrophobicContact CE2-CE3 4.38Å; F379-W386 HydrophobicContact CE2-CH2 4.38Å; F379-W386 AromaticContact CE2-CZ3 3.92Å; F379-W386 HydrophobicContact CE2-CZ3 3.92Å; H384-W386 HydrophobicContact CB-CZ3 4.18Å; W386-V399 HydrophobicContact CH2-CG1 3.91Å; W386-V399 HydrophobicContact CZ2-CG1 4.01Å; W386-M453 HydrophobicContact CD2-CB 4.06Å; W386-M453 HydrophobicContact CG-CB 4.49Å; W386-M453 HydrophobicContact CH2-CB 4.37Å; W386-M453 HydrophobicContact CH2-CE 4.41Å; W386-M453 HydrophobicContact CZ2-CB 3.75Å; W386-M453 HydrophobicContact CZ2-CE 3.46Å; W386-M453 VanDerWaalsContact CZ2-CE 3.46Å; W386-M453 HydrophobicContact CZ2-CG 4.42Å; W386-M453 HydrophobicContact CZ2-SD 3.86Å; W386-M453 PolarHBondContact N-O 3.22Å; W386-M453 PolarHBondContact NE1-SD 3.3Å; W386-M453 PolarHBondContact O-N 2.92Å; W386-L455 HydrophobicContact CH2-CB 4.01Å; W386-L455 HydrophobicContact CH2-CD2 4.24Å; W386-L455 HydrophobicContact CZ3-CB 3.9Å; W386-L455 HydrophobicContact CZ3-CD2 4.41Å; W386-P487 HydrophobicContact CH2-CG 3.88Å; W386-P487 HydrophobicContact CZ2-CB 3.84Å; W386-P487 HydrophobicContact CZ2-CG 3.61Å
387E96.7Very high93.9Very high6 Ų635.6 Ų35.63%0.02820%0.202CC..EExtended strand (participates in β ladder)trans-116.7142.3177.9-60-178.8-178.200110.3R323 W327 Y330 Y385 L450 L451 L467 C500R323-E387 IonicContact CZ-OE1 3.28Å; R323-E387 IonicContact CZ-OE2 3.82Å; R323-E387 IonicContact NE-OE1 3.73Å; R323-E387 PolarHBondContact NE-OE1 3.33Å; R323-E387 IonicContact NE-OE2 2.76Å; R323-E387 IonicContact NH2-OE1 2.73Å; R323-E387 PolarHBondContact NH2-OE1 2.97Å; R323-E387 IonicContact NH2-OE2 3.01Å; R323-E387 PolarHBondContact NH2-OE2 2.92Å; W327-E387 PolarHBondContact NE1-OE1 3.01Å; Y330-E387 HydrophobicContact CE2-CB 4.38Å; Y330-E387 HydrophobicContact CE2-CG 3.8Å; Y385-E387 HydrophobicContact CE1-CG 3.58Å; Y385-E387 WeakPolarHBondContact OH-CG 3.36Å; Y385-E387 PolarHBondContact OH-OE1 3.38Å; E387-L450 HydrophobicContact CB-CD1 4.36Å; E387-L451 CarbonylContact C-O 3.55Å; E387-L451 WeakPolarHBondContact CA-O 3.49Å; E387-L467 HydrophobicContact CB-CD1 4.2Å; E387-L467 HydrophobicContact CG-CD1 3.54Å; E387-C500 HydrophobicContact CB-CB 3.96Å; E387-C500 PolarHBondContact O-N 3.33Å
388V96.7Very high94Very high0 Ų034.1 Ų34.10%020%0.195CC..EExtended strand (participates in β ladder)trans-130.9132.7177.663.60000109.8L397 L451 F489 L497 T498 L499V388-L397 HydrophobicContact CG1-CD1 3.52Å; V388-L397 HydrophobicContact CG1-CD2 3.91Å; V388-L397 HydrophobicContact CG1-CG 4.35Å; V388-L451 HydrophobicContact CG1-CB 4.07Å; V388-L451 PolarHBondContact N-O 3.38Å; V388-L451 PolarHBondContact O-N 3.17Å; V388-F489 HydrophobicContact CG2-CE1 4.47Å; V388-L497 HydrophobicContact CG2-CB 4.22Å; V388-L497 HydrophobicContact CG2-CD2 4.25Å; V388-T498 WeakPolarHBondContact CA-O 3.2Å; V388-L499 HydrophobicContact CB-CD2 4.44Å; V388-L499 HydrophobicContact CG2-CD2 4.44Å
389R96.3Very high94.1Very high99 Ų9930.8 Ų30.837%0.37417%0.172SC..EExtended strand (participates in β ladder)trans-101.6120.2172.6-176170.8-69.5-81.61.5109.9R449 L450 E468 L497 T498R389-R449 WeakPolarHBondContact CA-O 3.42Å; R389-L450 HydrophobicContact CB-CD1 4.15Å; R389-E468 IonicContact CZ-OE1 3.08Å; R389-E468 VanDerWaalsContact CZ-OE1 3.31Å; R389-E468 IonicContact NH1-OE1 3.08Å; R389-E468 PolarHBondContact NH1-OE1 3.39Å; R389-E468 IonicContact NH1-OE2 2.91Å; R389-E468 PolarHBondContact NH1-OE2 3.2Å; R389-E468 IonicContact NH2-OE1 2.62Å; R389-E468 PolarHBondContact NH2-OE1 3.27Å; R389-L497 WeakPolarHBondContact O-CA 3.33Å; R389-T498 PolarHBondContact N-O 3.35Å; R389-T498 PolarHBondContact O-N 3.19Å
390A94.8Very high94.3Very high7 Ų730.5 Ų30.56%0.05817%0.171CC..EExtended strand (participates in β ladder)trans-90.1143.9170.200000110.9D392 V395 R449 L497A390-D392 VanDerWaalsContact C-N 3.25Å; A390-D392 WeakPolarHBondContact CB-O 3.36Å; A390-D392 PolarHBondContact O-N 3.47Å; A390-V395 HydrophobicContact CB-CG2 4.19Å; A390-R449 PolarHBondContact N-O 3.22Å; A390-R449 WeakPolarHBondContact O-CB 3.18Å; A390-L497 HydrophobicContact CB-CD2 3.56Å
391S93.4Very high94.5Very high45 Ų4523.6 Ų23.632%0.31514%0.138SC..SBendtrans-65.4-35.1172.159.30000111.7R449 T496S391-R449 PolarHBondContact O-NH1 3.45Å; S391-T496 PolarHBondContact N-O 2.69Å; S391-T496 PolarHBondContact OG-N 2.7Å; S391-T496 PolarHBondContact OG-O 2.63Å
392D89.1Confident94.6Very high48 Ų4823.5 Ų23.526%0.25713%0.131SC..SBendtrans-165.7-175.9-176.6-157.1-4.4000109.9A390 R495A390-D392 VanDerWaalsContact C-N 3.25Å; A390-D392 WeakPolarHBondContact CB-O 3.36Å; A390-D392 PolarHBondContact O-N 3.47Å; D392-R495 VanDerWaalsContact CG-NH1 3.32Å; D392-R495 IonicContact OD2-CZ 3.8Å; D392-R495 VanDerWaalsContact OD2-CZ 3.22Å; D392-R495 IonicContact OD2-NH1 2.72Å; D392-R495 PolarHBondContact OD2-NH1 2.74Å; D392-R495 IonicContact OD2-NH2 2.7Å; D392-R495 PolarHBondContact OD2-NH2 2.89Å; D392-R495 VanDerWaalsContact OD2-NH2 3.15Å
393H88.1Confident94.7Very high64 Ų6426.7 Ų26.730%0.29614%0.137SC..SBendtrans-65.9-178.3172.265.4-80.3000113.7G429 R495H393-G429 PolarHBondContact CD2-N 3.35Å; H393-R495 PolarHBondContact CE1-NH2 3.34Å; H393-R495 VanDerWaalsContact CE1-NH2 3.3Å; H393-R495 PolarHBondContact NE2-NH2 2.83Å; H393-R495 PolarHBondContact O-NE 3.42Å; H393-R495 VanDerWaalsContact O-NE 3.11Å
394S92.8Very high94.6Very high23 Ų2324.6 Ų24.616%0.16113%0.127CC..SBendtrans67.354-174-51.90000112.6V427 W490 L492S394-V427 WeakPolarHBondContact CA-O 3.38Å; S394-V427 PolarHBondContact N-O 3.36Å; S394-W490 VanDerWaalsContact O-CZ3 3.27Å; S394-W490 WeakPolarHBondContact O-CZ3 3.46Å; S394-L492 WeakPolarHBondContact O-CB 3.35Å; S394-L492 PolarHBondContact O-N 2.94Å
395V94.9Very high94.4Very high0 Ų026.1 Ų26.10%014%0.14CC..EExtended strand (participates in β ladder)trans-134.2150.2175-60.40000109.4A390 V427 W490 L491 L497A390-V395 HydrophobicContact CB-CG2 4.19Å; V395-V427 HydrophobicContact CG2-CB 3.96Å; V395-V427 HydrophobicContact CG2-CG2 4.18Å; V395-V427 PolarHBondContact N-O 3.46Å; V395-V427 PolarHBondContact O-N 3.3Å; V395-W490 CarbonylContact C-O 3.53Å; V395-W490 VanDerWaalsContact CA-O 3.31Å; V395-W490 WeakPolarHBondContact CA-O 3.45Å; V395-L491 HydrophobicContact CG1-CB 3.94Å; V395-L497 HydrophobicContact CB-CD2 4.21Å; V395-L497 HydrophobicContact CG1-CD2 3.88Å; V395-L497 HydrophobicContact CG1-CG 4.41Å; V395-L497 HydrophobicContact CG2-CD2 4.37Å
396T96.1Very high94.1Very high1 Ų130.1 Ų30.11%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-120.4127.9170.9-53.50000108.1I416 L425 C426 F489 W490T396-I416 HydrophobicContact CG2-CB 4.06Å; T396-I416 HydrophobicContact CG2-CD1 4.12Å; T396-I416 HydrophobicContact CG2-CG2 4.07Å; T396-L425 WeakPolarHBondContact CA-O 3.47Å; T396-C426 HydrophobicContact CG2-CB 4.4Å; T396-F489 WeakPolarHBondContact O-CA 3.43Å; T396-W490 PolarHBondContact N-O 3.29Å; T396-W490 PolarHBondContact O-N 2.97Å
397L96.9Very high93.7Very high1 Ų133.5 Ų33.51%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-111.3139.7176.8-47.2178.6000108.3V388 G424 L425 L451 M453 F464 F489 L497V388-L397 HydrophobicContact CG1-CD1 3.52Å; V388-L397 HydrophobicContact CG1-CD2 3.91Å; V388-L397 HydrophobicContact CG1-CG 4.35Å; L397-G424 CarbonylContact O-C 3.59Å; L397-G424 VanDerWaalsContact O-CA 3.32Å; L397-G424 WeakPolarHBondContact O-CA 3.25Å; L397-L425 PolarHBondContact N-O 3.33Å; L397-L425 PolarHBondContact O-N 3.18Å; L397-L451 HydrophobicContact CD1-CB 3.8Å; L397-L451 HydrophobicContact CD1-CD1 3.46Å; L397-L451 VanDerWaalsContact CD1-CD1 3.46Å; L397-L451 HydrophobicContact CD1-CG 4.26Å; L397-L451 HydrophobicContact CG-CD1 4.5Å; L397-M453 HydrophobicContact CB-SD 3.91Å; L397-F464 HydrophobicContact CB-CE1 4.1Å; L397-F489 HydrophobicContact CB-CD1 4.41Å; L397-F489 HydrophobicContact CB-CE1 4.42Å; L397-F489 HydrophobicContact CD2-CD1 3.53Å; L397-F489 HydrophobicContact CD2-CE1 3.86Å; L397-L497 HydrophobicContact CD2-CD1 4.11Å; L397-L497 HydrophobicContact CD2-CD2 4.45Å
398G97.1Very high93.2Very high0 Ų039.3 Ų39.30%020%0.2CC..EExtended strand (participates in β ladder)trans-171.7-173.4-178.700000114.5W423 M453 P487 V488G398-W423 CarbonylContact C-O 3.56Å; G398-W423 WeakPolarHBondContact CA-O 3.3Å; G398-M453 WeakPolarHBondContact O-CE 3.36Å; G398-P487 CarbonylContact O-C 3.58Å; G398-P487 WeakPolarHBondContact O-CA 3.45Å; G398-V488 PolarHBondContact N-O 3.43Å; G398-V488 PolarHBondContact O-N 2.81Å
399V98Very high92.6Very high0 Ų043.5 Ų43.50%023%0.225CC..EExtended strand (participates in β ladder)trans-130.4150.8171.3-61.50000109W386 S422 W423 M453 L462 L485 T486W386-V399 HydrophobicContact CH2-CG1 3.91Å; W386-V399 HydrophobicContact CZ2-CG1 4.01Å; V399-S422 WeakPolarHBondContact O-CA 3.41Å; V399-W423 HydrophobicContact CG2-CB 4.35Å; V399-W423 HydrophobicContact CG2-CE3 4.12Å; V399-W423 PolarHBondContact N-O 3.44Å; V399-W423 PolarHBondContact O-N 2.88Å; V399-M453 HydrophobicContact CG1-CE 4.13Å; V399-L462 HydrophobicContact CG1-CD1 4.23Å; V399-L462 HydrophobicContact CG2-CD1 4.49Å; V399-L462 HydrophobicContact CG2-CD2 3.53Å; V399-L485 HydrophobicContact CB-CB 4.32Å; V399-L485 HydrophobicContact CB-CD1 4.38Å; V399-L485 HydrophobicContact CB-CD2 4.16Å; V399-L485 HydrophobicContact CG2-CD1 3.88Å; V399-L485 HydrophobicContact CG2-CD2 3.94Å; V399-L485 HydrophobicContact CG2-CG 4.41Å; V399-T486 CarbonylContact C-O 3.59Å; V399-T486 WeakPolarHBondContact CA-O 3.32Å
400S97Very high92Very high0 Ų041.1 Ų41.10%023%0.232CC..EExtended strand (participates in β ladder)trans-142.3151.9178.5690000112.6Q374 C421 T486Q374-S400 PolarHBondContact NE2-OG 3.32Å; S400-C421 CarbonylContact C-O 3.58Å; S400-C421 VanDerWaalsContact CA-O 3.3Å; S400-C421 WeakPolarHBondContact CA-O 3.14Å; S400-T486 PolarHBondContact N-O 3.5Å; S400-T486 PolarHBondContact O-N 3.39Å
401Y95.1Very high91.5Very high14 Ų1446.3 Ų46.36%0.05526%0.264CS..  trans-70.2163.5162.3-60.5-38.1000111.4Q403 L404 C421 W423 L480 F481 N482 Q483 L485Y401-Q403 PolarHBondContact O-N 3.02Å; Y401-Q403 VanDerWaalsContact O-N 3.12Å; Y401-L404 PolarHBondContact O-N 2.98Å; Y401-C421 HydrophobicContact CD2-CB 4.27Å; Y401-C421 PolarHBondContact N-O 3.46Å; Y401-W423 HydrophobicContact CD1-CZ3 4.46Å; Y401-W423 HydrophobicContact CD2-CH2 4.32Å; Y401-W423 HydrophobicContact CD2-CZ3 4.36Å; Y401-W423 HydrophobicContact CE1-CH2 4.2Å; Y401-W423 HydrophobicContact CE1-CZ3 4.13Å; Y401-W423 AromaticContact CE2-CH2 3.62Å; Y401-W423 HydrophobicContact CE2-CH2 3.62Å; Y401-W423 HydrophobicContact CE2-CZ3 4.05Å; Y401-W423 AromaticContact CZ-CH2 3.56Å; Y401-W423 AromaticContact CZ-CZ3 3.93Å; Y401-L480 PolarHBondContact OH-O 3.28Å; Y401-F481 WeakPolarHBondContact OH-CA 3.36Å; Y401-N482 PolarHBondContact OH-N 3.46Å; Y401-N482 VanDerWaalsContact OH-N 3.12Å; Y401-N482 PolarHBondContact OH-OD1 3.4Å; Y401-N482 VanDerWaalsContact OH-OD1 3.14Å; Y401-Q483 HydrophobicContact CD1-CB 3.58Å; Y401-Q483 HydrophobicContact CE1-CB 3.67Å; Y401-Q483 WeakPolarHBondContact CE1-O 3.5Å; Y401-Q483 HydrophobicContact CG-CB 4.09Å; Y401-L485 HydrophobicContact CD1-CD2 3.46Å; Y401-L485 VanDerWaalsContact CD1-CD2 3.46Å; Y401-L485 HydrophobicContact CD1-CG 4.18Å; Y401-L485 HydrophobicContact CE1-CD2 3.55Å; Y401-L485 HydrophobicContact CE1-CG 4.01Å; Y401-L485 HydrophobicContact CG-CD2 4.4Å
402P90.4Very high91.1Very high75 Ų7547.8 Ų47.849%0.48727%0.266SS..THydrogen-bonded Turntrans-59.3-23.9179.8-25.836.5000114.1L404P402-L404 PolarHBondContact O-N 3.29Å
403Q91.6Very high90.8Very high102 Ų10248.4 Ų48.448%0.47727%0.272SS..THydrogen-bonded Turntrans-77.71.9-178.2-57.178.69.800113.7Y401 S405Y401-Q403 PolarHBondContact O-N 3.02Å; Y401-Q403 VanDerWaalsContact O-N 3.12Å; Q403-S405 PolarHBondContact O-N 3.21Å
404L92.8Very high90.9Very high12 Ų1245.4 Ų45.46%0.06326%0.258CS..  trans-56.5117.3174.2-176.367.9000109.9F368 Y401 P402 R406 N415 V488F368-L404 HydrophobicContact CE1-CD2 4.22Å; F368-L404 HydrophobicContact CE1-CG 4.48Å; F368-L404 HydrophobicContact CZ-CD2 4.23Å; Y401-L404 PolarHBondContact O-N 2.98Å; P402-L404 PolarHBondContact O-N 3.29Å; L404-R406 PolarHBondContact O-N 3.41Å; L404-N415 HydrophobicContact CD1-CB 3.98Å; L404-V488 HydrophobicContact CD2-CG1 4.47Å; L404-V488 HydrophobicContact CD2-CG2 3.99Å
405S90.6Very high90.8Very high49 Ų4944.7 Ų44.734%0.34325%0.252SS..  trans-57131.8-178.6-179.90000111.1Q403 C407 N415Q403-S405 PolarHBondContact O-N 3.21Å; S405-C407 PolarHBondContact OG-N 3.27Å; S405-C407 PolarHBondContact OG-O 3.12Å; S405-N415 PolarHBondContact O-ND2 3.06Å
406R90.3Very high90.9Very high84 Ų8444.7 Ų44.732%0.31725%0.253SS..SBendtrans-83.1-17.1176.4-62.8-173.7-173.7-92.1-12.2113.1G366 F368 E369 L404G366-R406 WeakPolarHBondContact O-CD 3.48Å; G366-R406 PolarHBondContact O-NH1 2.85Å; F368-R406 HydrophobicContact CD1-CB 3.97Å; F368-R406 HydrophobicContact CD1-CG 3.96Å; F368-R406 HydrophobicContact CE1-CB 4.19Å; F368-R406 HydrophobicContact CE1-CG 3.75Å; F368-R406 HydrophobicContact CZ-CG 4.16Å; E369-R406 WeakPolarHBondContact CB-O 3.29Å; E369-R406 PolarHBondContact N-O 3.49Å; L404-R406 PolarHBondContact O-N 3.41Å
407C89.6Confident90.7Very high74 Ų7444.7 Ų44.750%0.525%0.252SS..SBendtrans-97.2160.2179.8-54.40000111.1E369 S405 V409 N415E369-C407 VanDerWaalsContact OE2-CA 3.29Å; E369-C407 WeakPolarHBondContact OE2-CA 3.43Å; E369-C407 WeakPolarHBondContact OE2-CB 3.23Å; S405-C407 PolarHBondContact OG-N 3.27Å; S405-C407 PolarHBondContact OG-O 3.12Å; C407-V409 PolarHBondContact O-N 2.79Å; C407-N415 PolarHBondContact O-ND2 2.6Å
408R86.5Confident90.5Very high128 Ų12846.9 Ų46.948%0.48326%0.261SS..  trans-60.6126176.1-178.4-178.5-62.4-88.12.6111.5E369 L370 G410 H412E369-R408 PolarHBondContact OE2-N 3.06Å; L370-R408 HydrophobicContact CD2-CB 3.91Å; L370-R408 HydrophobicContact CD2-CG 4.09Å; L370-R408 HydrophobicContact CG-CB 4.36Å; R408-G410 WeakPolarHBondContact CG-O 3.27Å; R408-H412 PolarHBondContact NH1-O 3.38Å
409V82.4Confident90.1Very high87 Ų8748 Ų4853%0.52727%0.272SS..  trans-117111170.7-1750000108.5C407 N415C407-V409 PolarHBondContact O-N 2.79Å; V409-N415 PolarHBondContact N-OD1 3.04Å
410G84Confident89.7Confident50 Ų5051.7 Ų51.752%0.51530%0.296SS..THydrogen-bonded Turntrans73.4-160.8-179.700000114.7R408R408-G410 WeakPolarHBondContact CG-O 3.27Å
411P84.4Confident89.5Confident115 Ų11553.5 Ų53.575%0.74731%0.308SS*.THydrogen-bonded Turntrans-85.4-6.1-169.533.7-36.1000114.5
412H84.9Confident89.6Confident76 Ų7652.9 Ų52.935%0.35231%0.306SS..  trans-77.5155.5-173.6-59.5-62.5000112.6R408 D414 R418R408-H412 PolarHBondContact NH1-O 3.38Å; H412-D414 WeakPolarHBondContact CB-O 3.46Å; H412-D414 PolarHBondContact O-N 3.32Å; H412-R418 HydrophobicContact CB-CG 4.48Å
413T83Confident89.9Confident61 Ų6149.7 Ų49.737%0.37428%0.284SS..SBendtrans-79.7-8.4177.949.70000113.4W490T413-W490 PolarHBondContact O-NE1 3.48Å; T413-W490 WeakPolarHBondContact OG1-CZ2 3.41Å
414D90.4Very high90.2Very high2 Ų244.9 Ų44.91%0.01126%0.261CS..  trans-151.8154.7-178.882.797.5000110Q372 H412 I416 R418 W490Q372-D414 VanDerWaalsContact OE1-CA 3.28Å; H412-D414 WeakPolarHBondContact CB-O 3.46Å; H412-D414 PolarHBondContact O-N 3.32Å; D414-I416 WeakPolarHBondContact OD1-CA 3.48Å; D414-I416 VanDerWaalsContact OD1-CB 3.22Å; D414-I416 WeakPolarHBondContact OD1-CB 3.49Å; D414-I416 PolarHBondContact OD1-N 2.94Å; D414-R418 WeakPolarHBondContact O-CG 3.39Å; D414-R418 IonicContact OD2-CZ 3.79Å; D414-R418 IonicContact OD2-NE 3.01Å; D414-R418 IonicContact OD2-NH2 3.99Å; D414-R418 PolarHBondContact OD2-NH2 3.28Å; D414-W490 HydrophobicContact CB-CB 3.98Å; D414-W490 HydrophobicContact CB-CD2 4.29Å; D414-W490 HydrophobicContact CB-CG 3.63Å
415N91.8Very high90.3Very high7 Ų744.3 Ų44.34%0.03726%0.259CS..  trans-96.6-1.5176.9-70-20.4000112.9L370 L404 S405 C407 V409 G417 R418 S422L370-N415 HydrophobicContact CD1-CB 4.22Å; L370-N415 WeakPolarHBondContact CD1-ND2 3.06Å; L370-N415 WeakPolarHBondContact CD1-OD1 3.38Å; L404-N415 HydrophobicContact CD1-CB 3.98Å; S405-N415 PolarHBondContact O-ND2 3.06Å; C407-N415 PolarHBondContact O-ND2 2.6Å; V409-N415 PolarHBondContact N-OD1 3.04Å; N415-G417 PolarHBondContact O-N 3.21Å; N415-R418 PolarHBondContact O-N 3.38Å; N415-S422 PolarHBondContact O-OG 2.9Å
416I95.9Very high90.5Very high1 Ų142.3 Ų42.31%0.00525%0.245CC..THydrogen-bonded Turntrans-71.5123-173.9-48.5171.9000109.2Q372 T396 D414 R418 V488 W490Q372-I416 HydrophobicContact CG-CD1 4.43Å; T396-I416 HydrophobicContact CG2-CB 4.06Å; T396-I416 HydrophobicContact CG2-CD1 4.12Å; T396-I416 HydrophobicContact CG2-CG2 4.07Å; D414-I416 WeakPolarHBondContact OD1-CA 3.48Å; D414-I416 VanDerWaalsContact OD1-CB 3.22Å; D414-I416 WeakPolarHBondContact OD1-CB 3.49Å; D414-I416 PolarHBondContact OD1-N 2.94Å; I416-R418 PolarHBondContact O-N 3.35Å; I416-V488 HydrophobicContact CD1-CG1 4.07Å; I416-V488 HydrophobicContact CD1-CG2 3.99Å; I416-V488 HydrophobicContact CG1-CG1 4.1Å; I416-V488 HydrophobicContact CG1-CG2 4.2Å; I416-V488 HydrophobicContact CG2-CG1 4.05Å; I416-W490 HydrophobicContact CD1-CB 3.91Å
417G92.6Very high90.6Very high0 Ų038.8 Ų38.80%023%0.232CC..THydrogen-bonded Turntrans740.9-176.900000114.9N415 S422 W435 H436 N437 G438N415-G417 PolarHBondContact O-N 3.21Å; G417-S422 PolarHBondContact N-OG 3.34Å; G417-W435 VanDerWaalsContact CA-O 3.31Å; G417-W435 WeakPolarHBondContact CA-O 3.29Å; G417-H436 CarbonylContact O-C 3.58Å; G417-H436 VanDerWaalsContact O-CA 3.27Å; G417-H436 WeakPolarHBondContact O-CA 3.46Å; G417-H436 PolarHBondContact O-N 2.92Å; G417-N437 PolarHBondContact O-N 3Å; G417-N437 VanDerWaalsContact O-N 3.11Å; G417-G438 PolarHBondContact O-N 3Å
418R92.1Very high90.5Very high48 Ų4839 Ų3918%0.18123%0.226CC..THydrogen-bonded Turntrans-82.7-19.8-178.1-49.8-53.1174.3-178.2-6.7113.7H412 D414 N415 I416 G438H412-R418 HydrophobicContact CB-CG 4.48Å; D414-R418 WeakPolarHBondContact O-CG 3.39Å; D414-R418 IonicContact OD2-CZ 3.79Å; D414-R418 IonicContact OD2-NE 3.01Å; D414-R418 IonicContact OD2-NH2 3.99Å; D414-R418 PolarHBondContact OD2-NH2 3.28Å; N415-R418 PolarHBondContact O-N 3.38Å; I416-R418 PolarHBondContact O-N 3.35Å; R418-G438 PolarHBondContact O-N 3.07Å
419G89.7Confident90.2Very high23 Ų2334.5 Ų34.524%0.23722%0.22CC..SBendtrans-132.5-177.8175.100000111.5C421 N437G419-C421 PolarHBondContact O-N 3.03Å; G419-N437 WeakPolarHBondContact O-CA 3.46Å; G419-N437 PolarHBondContact O-N 3.3Å
420P89.4Confident90.1Very high78 Ų7837.7 Ų37.751%0.50623%0.234SC..THydrogen-bonded Turntrans-72.8-14.7-174.629.1-35.3000113.1S422 N437P420-S422 VanDerWaalsContact C-N 3.32Å; P420-S422 PolarHBondContact O-N 3.36Å; P420-N437 WeakPolarHBondContact CD-OD1 3.33Å
421C93.1Very high90.2Very high37 Ų3736.4 Ų36.425%0.2522%0.217CC..THydrogen-bonded Turntrans-888.6-173.7-51.90000114.5S400 Y401 G419S400-C421 CarbonylContact C-O 3.58Å; S400-C421 VanDerWaalsContact CA-O 3.3Å; S400-C421 WeakPolarHBondContact CA-O 3.14Å; Y401-C421 HydrophobicContact CD2-CB 4.27Å; Y401-C421 PolarHBondContact N-O 3.46Å; G419-C421 PolarHBondContact O-N 3.03Å
422S95.8Very high90.6Very high1 Ų131 Ų311%0.00718%0.182CC..EExtended strand (participates in β ladder)trans-155.7155.6-178.755.50000113.3V399 N415 G417 P420 H436V399-S422 WeakPolarHBondContact O-CA 3.41Å; N415-S422 PolarHBondContact O-OG 2.9Å; G417-S422 PolarHBondContact N-OG 3.34Å; P420-S422 VanDerWaalsContact C-N 3.32Å; P420-S422 PolarHBondContact O-N 3.36Å; S422-H436 PolarHBondContact O-ND1 2.91Å
423W97.4Very high91Very high9 Ų928.8 Ų28.83%0.03417%0.172CC..EExtended strand (participates in β ladder)trans-130.5127.9176.9-61.9-98.1000107.9G398 V399 Y401 H436 L462 F477 A479 F481 L485G398-W423 CarbonylContact C-O 3.56Å; G398-W423 WeakPolarHBondContact CA-O 3.3Å; V399-W423 HydrophobicContact CG2-CB 4.35Å; V399-W423 HydrophobicContact CG2-CE3 4.12Å; V399-W423 PolarHBondContact N-O 3.44Å; V399-W423 PolarHBondContact O-N 2.88Å; Y401-W423 HydrophobicContact CD1-CZ3 4.46Å; Y401-W423 HydrophobicContact CD2-CH2 4.32Å; Y401-W423 HydrophobicContact CD2-CZ3 4.36Å; Y401-W423 HydrophobicContact CE1-CH2 4.2Å; Y401-W423 HydrophobicContact CE1-CZ3 4.13Å; Y401-W423 AromaticContact CE2-CH2 3.62Å; Y401-W423 HydrophobicContact CE2-CH2 3.62Å; Y401-W423 HydrophobicContact CE2-CZ3 4.05Å; Y401-W423 AromaticContact CZ-CH2 3.56Å; Y401-W423 AromaticContact CZ-CZ3 3.93Å; W423-H436 AromaticContact CD1-CE1 3.91Å; W423-H436 AromaticContact CD1-CG 3.51Å; W423-H436 AromaticContact CD1-ND1 3.34Å; W423-H436 VanDerWaalsContact CD1-ND1 3.34Å; W423-H436 AromaticContact CD2-ND1 3.89Å; W423-H436 AromaticContact CE2-CE1 3.35Å; W423-H436 AromaticContact CE2-ND1 3.48Å; W423-H436 AromaticContact CG-ND1 3.81Å; W423-H436 AromaticContact CZ2-CE1 3.54Å; W423-H436 AromaticContact NE1-CD2 3.77Å; W423-H436 AromaticContact NE1-CE1 3.19Å; W423-H436 PolarHBondContact NE1-CE1 2.9Å; W423-H436 AromaticContact NE1-CG 3.48Å; W423-H436 AromaticContact NE1-ND1 3.13Å; W423-H436 PolarHBondContact NE1-ND1 3.35Å; W423-H436 VanDerWaalsContact NE1-ND1 3.13Å; W423-H436 AromaticContact NE1-NE2 3.6Å; W423-L462 HydrophobicContact CB-CD2 3.84Å; W423-F477 HydrophobicContact CB-CD2 4.12Å; W423-F477 HydrophobicContact CB-CE2 4.18Å; W423-F477 HydrophobicContact CB-CG 4.3Å; W423-F477 HydrophobicContact CB-CZ 4.42Å; W423-F477 AromaticContact CD1-CD1 3.61Å; W423-F477 AromaticContact CD1-CG 3.73Å; W423-F477 HydrophobicContact CG-CD1 4.49Å; W423-F477 HydrophobicContact CG-CG 4.37Å; W423-A479 HydrophobicContact CZ2-CB 3.87Å; W423-F481 AromaticContact CD2-CE1 3.97Å; W423-F481 HydrophobicContact CD2-CE1 3.97Å; W423-F481 AromaticContact CE2-CE1 3.87Å; W423-F481 HydrophobicContact CE3-CE1 4.05Å; W423-F481 AromaticContact CH2-CD1 3.98Å; W423-F481 HydrophobicContact CH2-CD1 3.98Å; W423-F481 HydrophobicContact CH2-CE1 4.02Å; W423-F481 HydrophobicContact CZ2-CD1 4.19Å; W423-F481 AromaticContact CZ2-CE1 3.91Å; W423-F481 HydrophobicContact CZ2-CE1 3.91Å; W423-F481 HydrophobicContact CZ3-CD1 4.19Å; W423-F481 HydrophobicContact CZ3-CE1 4.09Å; W423-L485 HydrophobicContact CE3-CD2 4.16Å; W423-L485 HydrophobicContact CZ3-CD2 3.76Å
424G96.6Very high91.6Very high0 Ų026 Ų260%016%0.155CC..EExtended strand (participates in β ladder)trans-140.8142.1-173.800000113.7L397 W435L397-G424 CarbonylContact O-C 3.59Å; L397-G424 VanDerWaalsContact O-CA 3.32Å; L397-G424 WeakPolarHBondContact O-CA 3.25Å; G424-W435 PolarHBondContact N-O 2.96Å; G424-W435 PolarHBondContact O-N 2.99Å
425L96.1Very high91.8Very high1 Ų127.7 Ų27.71%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-106.1112166.9-173.472.7000108.8T396 L397 L432 A434 L443 F464 L474T396-L425 WeakPolarHBondContact CA-O 3.47Å; L397-L425 PolarHBondContact N-O 3.33Å; L397-L425 PolarHBondContact O-N 3.18Å; L425-L432 HydrophobicContact CD1-CD2 4.39Å; L425-L432 HydrophobicContact CD2-CD2 4.12Å; L425-L432 HydrophobicContact CG-CD2 4.16Å; L425-A434 HydrophobicContact CD1-CB 4.28Å; L425-L443 HydrophobicContact CD1-CD1 3.91Å; L425-F464 HydrophobicContact CB-CD1 3.68Å; L425-F464 HydrophobicContact CB-CD2 4.18Å; L425-F464 HydrophobicContact CB-CE1 3.63Å; L425-F464 HydrophobicContact CB-CE2 4.17Å; L425-F464 HydrophobicContact CB-CG 3.95Å; L425-F464 HydrophobicContact CB-CZ 3.89Å; L425-F464 HydrophobicContact CD2-CB 3.61Å; L425-F464 HydrophobicContact CD2-CD1 3.74Å; L425-F464 HydrophobicContact CD2-CD2 4.48Å; L425-F464 HydrophobicContact CD2-CG 3.69Å; L425-F464 HydrophobicContact CG-CD1 4.36Å; L425-F464 HydrophobicContact CG-CG 4.38Å; L425-L474 HydrophobicContact CD2-CD1 4.11Å
426C94.7Very high92Very high7 Ų730 Ų305%0.04717%0.172CC..EExtended strand (participates in β ladder)trans-88.2120.6174.6-172.70000109.6T396 L432 Q433T396-C426 HydrophobicContact CG2-CB 4.4Å; C426-L432 WeakPolarHBondContact O-CA 3.43Å; C426-Q433 HydrophobicContact CB-CB 4.3Å; C426-Q433 PolarHBondContact N-O 3.39Å; C426-Q433 PolarHBondContact O-N 3.47Å
427V92.5Very high91.8Very high9 Ų934.4 Ų34.46%0.05520%0.195CC..EExtended strand (participates in β ladder)trans-101.2112.6178.8-170.80000109.2S394 V395 L432 L451S394-V427 WeakPolarHBondContact CA-O 3.38Å; S394-V427 PolarHBondContact N-O 3.36Å; V395-V427 HydrophobicContact CG2-CB 3.96Å; V395-V427 HydrophobicContact CG2-CG2 4.18Å; V395-V427 PolarHBondContact N-O 3.46Å; V395-V427 PolarHBondContact O-N 3.3Å; V427-L432 HydrophobicContact CB-CD2 4Å; V427-L432 HydrophobicContact CG1-CD2 3.93Å; V427-L432 HydrophobicContact CG2-CD2 3.65Å; V427-L451 HydrophobicContact CG2-CD1 3.93Å
428Q87.7Confident91.6Very high78 Ų7836.4 Ų36.436%0.36422%0.216SC..  trans-114.9164174.2-56.5-176.213.700109.2D430 S431Q428-D430 VanDerWaalsContact C-N 3.26Å; Q428-D430 PolarHBondContact O-N 3.28Å; Q428-D430 VanDerWaalsContact O-N 3.15Å; Q428-S431 CarbonylContact C-O 3.6Å; Q428-S431 WeakPolarHBondContact CA-O 3.4Å; Q428-S431 WeakPolarHBondContact CB-O 3.36Å; Q428-S431 PolarHBondContact N-O 3.11Å; Q428-S431 PolarHBondContact O-N 3.42Å; Q428-S431 VanDerWaalsContact O-O 3.06Å
429G80.1Confident91.5Very high35 Ų3541.7 Ų41.736%0.36124%0.243SC..SBendtrans-50.5-45.7-169.900000113.5H393H393-G429 PolarHBondContact CD2-N 3.35Å
430D80.8Confident91.6Very high154 Ų15443.1 Ų43.182%0.82425%0.253SS*.SBendtrans-116.71.2-172.1-47.5-14.4000112.4Q428Q428-D430 VanDerWaalsContact C-N 3.26Å; Q428-D430 PolarHBondContact O-N 3.28Å; Q428-D430 VanDerWaalsContact O-N 3.15Å
431S86.3Confident91.6Very high23 Ų2342.9 Ų42.916%0.16125%0.245CC..EExtended strand (participates in β ladder)trans-152.6150.1-175.768.80000113.2Q428Q428-S431 CarbonylContact C-O 3.6Å; Q428-S431 WeakPolarHBondContact CA-O 3.4Å; Q428-S431 WeakPolarHBondContact CB-O 3.36Å; Q428-S431 PolarHBondContact N-O 3.11Å; Q428-S431 PolarHBondContact O-N 3.42Å; Q428-S431 VanDerWaalsContact O-O 3.06Å
432L91.8Very high91.4Very high2 Ų250.3 Ų50.31%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-107.1145.3169.9-77.4174.3000109.2L425 C426 V427 L443 P444 V446 L474L425-L432 HydrophobicContact CD1-CD2 4.39Å; L425-L432 HydrophobicContact CD2-CD2 4.12Å; L425-L432 HydrophobicContact CG-CD2 4.16Å; C426-L432 WeakPolarHBondContact O-CA 3.43Å; V427-L432 HydrophobicContact CB-CD2 4Å; V427-L432 HydrophobicContact CG1-CD2 3.93Å; V427-L432 HydrophobicContact CG2-CD2 3.65Å; L432-L443 HydrophobicContact CB-CB 3.76Å; L432-L443 HydrophobicContact CB-CD1 4.34Å; L432-L443 PolarHBondContact N-O 3.46Å; L432-L443 PolarHBondContact O-N 3.19Å; L432-P444 WeakPolarHBondContact CD1-O 3.46Å; L432-V446 HydrophobicContact CD1-CB 4.29Å; L432-V446 HydrophobicContact CD1-CG1 3.74Å; L432-V446 HydrophobicContact CD1-CG2 3.71Å; L432-V446 HydrophobicContact CD2-CG2 4.15Å; L432-V446 HydrophobicContact CG-CG2 4.1Å; L432-L474 HydrophobicContact CD1-CB 4.38Å; L432-L474 HydrophobicContact CD1-CD1 3.99Å; L432-L474 HydrophobicContact CD1-CD2 4.29Å; L432-L474 HydrophobicContact CD1-CG 4.44Å
433Q93.7Very high91.1Very high29 Ų2951.2 Ų51.214%0.13627%0.272CS..EExtended strand (participates in β ladder)trans-135.1120.8173.3-61.3179.3-9.500110.6C426 W435 Q441C426-Q433 HydrophobicContact CB-CB 4.3Å; C426-Q433 PolarHBondContact N-O 3.39Å; C426-Q433 PolarHBondContact O-N 3.47Å; Q433-W435 VanDerWaalsContact CB-NE1 3.31Å; Q433-Q441 CarbonylContact C-O 3.53Å; Q433-Q441 VanDerWaalsContact CA-O 3.3Å; Q433-Q441 WeakPolarHBondContact CA-O 3.39Å
434A95.3Very high90.3Very high3 Ų355.3 Ų55.33%0.02530%0.3CS..EExtended strand (participates in β ladder)trans-87.1124.6170.300000109.4L425 A440 Q441 L443 Y475 F477L425-A434 HydrophobicContact CD1-CB 4.28Å; A434-A440 CarbonylContact O-C 3.55Å; A434-A440 WeakPolarHBondContact O-CA 3.45Å; A434-Q441 HydrophobicContact CB-CB 4.47Å; A434-Q441 PolarHBondContact N-O 2.86Å; A434-Q441 PolarHBondContact O-N 3.17Å; A434-L443 HydrophobicContact CB-CD1 4.12Å; A434-Y475 HydrophobicContact CB-CD1 3.44Å; A434-Y475 VanDerWaalsContact CB-CD1 3.44Å; A434-Y475 HydrophobicContact CB-CD2 4.19Å; A434-Y475 HydrophobicContact CB-CE1 3.41Å; A434-Y475 VanDerWaalsContact CB-CE1 3.41Å; A434-Y475 HydrophobicContact CB-CE2 4.16Å; A434-Y475 HydrophobicContact CB-CG 3.82Å; A434-F477 HydrophobicContact CB-CE1 4.25Å; A434-F477 HydrophobicContact CB-CE2 4.33Å; A434-F477 HydrophobicContact CB-CZ 3.7Å
435W95.5Very high89.3Confident37 Ų3757.2 Ų57.214%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-119.2129.7-176.3-72.788.2000111.6G417 G424 Q433 Q439 A440G417-W435 VanDerWaalsContact CA-O 3.31Å; G417-W435 WeakPolarHBondContact CA-O 3.29Å; G424-W435 PolarHBondContact N-O 2.96Å; G424-W435 PolarHBondContact O-N 2.99Å; Q433-W435 VanDerWaalsContact CB-NE1 3.31Å; W435-Q439 VanDerWaalsContact CA-O 3.32Å; W435-Q439 WeakPolarHBondContact CA-O 3.33Å; W435-A440 HydrophobicContact CD2-CB 3.6Å; W435-A440 VanDerWaalsContact CE2-CB 3.43Å; W435-A440 HydrophobicContact CE3-CB 3.69Å; W435-A440 HydrophobicContact CG-CB 4.41Å; W435-A440 HydrophobicContact CH2-CB 3.54Å; W435-A440 HydrophobicContact CZ2-CB 3.42Å; W435-A440 VanDerWaalsContact CZ2-CB 3.42Å; W435-A440 HydrophobicContact CZ3-CB 3.67Å
436H94.4Very high88.3Confident56 Ų5658.2 Ų58.226%0.25933%0.325SS..EExtended strand (participates in β ladder)trans-154.2139.1168.317561.9000110.3G417 S422 W423 G438 Q439 F477G417-H436 CarbonylContact O-C 3.58Å; G417-H436 VanDerWaalsContact O-CA 3.27Å; G417-H436 WeakPolarHBondContact O-CA 3.46Å; G417-H436 PolarHBondContact O-N 2.92Å; S422-H436 PolarHBondContact O-ND1 2.91Å; W423-H436 AromaticContact CD1-CE1 3.91Å; W423-H436 AromaticContact CD1-CG 3.51Å; W423-H436 AromaticContact CD1-ND1 3.34Å; W423-H436 VanDerWaalsContact CD1-ND1 3.34Å; W423-H436 AromaticContact CD2-ND1 3.89Å; W423-H436 AromaticContact CE2-CE1 3.35Å; W423-H436 AromaticContact CE2-ND1 3.48Å; W423-H436 AromaticContact CG-ND1 3.81Å; W423-H436 AromaticContact CZ2-CE1 3.54Å; W423-H436 AromaticContact NE1-CD2 3.77Å; W423-H436 AromaticContact NE1-CE1 3.19Å; W423-H436 PolarHBondContact NE1-CE1 2.9Å; W423-H436 AromaticContact NE1-CG 3.48Å; W423-H436 AromaticContact NE1-ND1 3.13Å; W423-H436 PolarHBondContact NE1-ND1 3.35Å; W423-H436 VanDerWaalsContact NE1-ND1 3.13Å; W423-H436 AromaticContact NE1-NE2 3.6Å; H436-G438 PolarHBondContact O-N 3.11Å; H436-G438 VanDerWaalsContact O-N 3.11Å; H436-Q439 PolarHBondContact N-O 2.92Å; H436-Q439 VanDerWaalsContact N-O 3.07Å; H436-Q439 PolarHBondContact O-N 3.39Å; H436-F477 HydrophobicContact CB-CD1 4.22Å; H436-F477 HydrophobicContact CB-CE1 3.73Å
437N91.8Very high87.3Confident92 Ų9263.7 Ų63.749%0.49236%0.364SS..THydrogen-bonded Turntrans49.937.4177.9-159.327.3000114.1G417 G419 P420 Q439G417-N437 PolarHBondContact O-N 3Å; G417-N437 VanDerWaalsContact O-N 3.11Å; G419-N437 WeakPolarHBondContact O-CA 3.46Å; G419-N437 PolarHBondContact O-N 3.3Å; P420-N437 WeakPolarHBondContact CD-OD1 3.33Å; N437-Q439 PolarHBondContact O-N 3.4Å
438G89.4Confident86.6Confident43 Ų4363.7 Ų63.744%0.44337%0.365SS..THydrogen-bonded Turntrans77.3-4-179.700000114.9G417 R418 H436G417-G438 PolarHBondContact O-N 3Å; R418-G438 PolarHBondContact O-N 3.07Å; H436-G438 PolarHBondContact O-N 3.11Å; H436-G438 VanDerWaalsContact O-N 3.11Å
439Q89.1Confident86.7Confident158 Ų15866.2 Ų66.274%0.73837%0.372SS*.EExtended strand (participates in β ladder)trans-92.2141.8174.7-62.3-163.8-13.400111.1W435 H436 N437W435-Q439 VanDerWaalsContact CA-O 3.32Å; W435-Q439 WeakPolarHBondContact CA-O 3.33Å; H436-Q439 PolarHBondContact N-O 2.92Å; H436-Q439 VanDerWaalsContact N-O 3.07Å; H436-Q439 PolarHBondContact O-N 3.39Å; N437-Q439 PolarHBondContact O-N 3.4Å
440A91.3Very high87.4Confident54 Ų5464.9 Ų64.945%0.44636%0.356SS..EExtended strand (participates in β ladder)trans-121.1130.4178.900000111A434 W435A434-A440 CarbonylContact O-C 3.55Å; A434-A440 WeakPolarHBondContact O-CA 3.45Å; W435-A440 HydrophobicContact CD2-CB 3.6Å; W435-A440 VanDerWaalsContact CE2-CB 3.43Å; W435-A440 HydrophobicContact CE3-CB 3.69Å; W435-A440 HydrophobicContact CG-CB 4.41Å; W435-A440 HydrophobicContact CH2-CB 3.54Å; W435-A440 HydrophobicContact CZ2-CB 3.42Å; W435-A440 VanDerWaalsContact CZ2-CB 3.42Å; W435-A440 HydrophobicContact CZ3-CB 3.67Å
441Q90.1Very high88Confident73 Ų7357.8 Ų57.834%0.34132%0.319SS..EExtended strand (participates in β ladder)trans-107.7120.6166.9-176.5172.9-21.900109.2Q433 A434 L443 Y475Q433-Q441 CarbonylContact C-O 3.53Å; Q433-Q441 VanDerWaalsContact CA-O 3.3Å; Q433-Q441 WeakPolarHBondContact CA-O 3.39Å; A434-Q441 HydrophobicContact CB-CB 4.47Å; A434-Q441 PolarHBondContact N-O 2.86Å; A434-Q441 PolarHBondContact O-N 3.17Å; Q441-L443 HydrophobicContact CG-CD2 4.2Å; Q441-Y475 HydrophobicContact CG-CE2 4.42Å; Q441-Y475 PolarHBondContact OE1-OH 3.36Å
442R89.9Confident88.5Confident192 Ų19256.7 Ų56.773%0.72531%0.311SS*.EExtended strand (participates in β ladder)trans-78.8136.4174.8-171.8178.6-68.6-167.5-2109.5
443L87.7Confident88.7Confident20 Ų2056.6 Ų56.611%0.10531%0.31CS..EExtended strand (participates in β ladder)trans-126.7158.4-177.5-57.9168.5000109.6L425 L432 A434 Q441 Y475L425-L443 HydrophobicContact CD1-CD1 3.91Å; L432-L443 HydrophobicContact CB-CB 3.76Å; L432-L443 HydrophobicContact CB-CD1 4.34Å; L432-L443 PolarHBondContact N-O 3.46Å; L432-L443 PolarHBondContact O-N 3.19Å; A434-L443 HydrophobicContact CB-CD1 4.12Å; Q441-L443 HydrophobicContact CG-CD2 4.2Å; L443-Y475 HydrophobicContact CD1-CD2 3.67Å; L443-Y475 HydrophobicContact CD1-CG 3.82Å; L443-Y475 HydrophobicContact CD2-CD2 3.68Å; L443-Y475 HydrophobicContact CD2-CE2 4.12Å; L443-Y475 HydrophobicContact CG-CD2 4.26Å
444P80.9Confident88.9Confident95 Ų9556 Ų5662%0.61731%0.308SS*.EExtended strand (participates in β ladder)trans-53.7141173.4-2433.9000111.6L432L432-P444 WeakPolarHBondContact CD1-O 3.46Å
445G76.3Confident88.9Confident40 Ų4055.9 Ų55.941%0.41231%0.307SS..  trans-64.8151176.800000112.2
446V75.2Confident88.9Confident22 Ų2255.8 Ų55.813%0.13331%0.309CS..  trans-123.4138.5173.1-65.80000111.3L432 L474L432-V446 HydrophobicContact CD1-CB 4.29Å; L432-V446 HydrophobicContact CD1-CG1 3.74Å; L432-V446 HydrophobicContact CD1-CG2 3.71Å; L432-V446 HydrophobicContact CD2-CG2 4.15Å; L432-V446 HydrophobicContact CG-CG2 4.1Å; V446-L474 HydrophobicContact CG1-CD2 3.51Å; V446-L474 HydrophobicContact CG2-CD1 4.39Å
447S73Confident88.6Confident123 Ų12354.1 Ų54.186%0.8630%0.302SS*.  trans-86.6-9.7177.1-46.90000113.3
448G78.6Confident88.3Confident8 Ų854.1 Ų54.18%0.08232%0.315CS..  trans-73138.6-176.900000112.9E468G448-E468 WeakPolarHBondContact CA-O 3.49Å
449R89.8Confident88.1Confident131 Ų13155.2 Ų55.249%0.49432%0.316SS..SBendtrans-102.3-15.7178.9-66.9-176.4-169.7-176.37.5113.3R389 A390 S391 E468R389-R449 WeakPolarHBondContact CA-O 3.42Å; A390-R449 PolarHBondContact N-O 3.22Å; A390-R449 WeakPolarHBondContact O-CB 3.18Å; S391-R449 PolarHBondContact O-NH1 3.45Å; R449-E468 PolarHBondContact N-OE2 2.84Å
450L93.8Very high88.2Confident7 Ų748 Ų484%0.03728%0.283CS..EExtended strand (participates in β ladder)trans-96.4117.4173.2-174.865.9000109.4E387 R389 L467 E468E387-L450 HydrophobicContact CB-CD1 4.36Å; R389-L450 HydrophobicContact CB-CD1 4.15Å; L450-L467 HydrophobicContact CB-CB 4.2Å; L450-L467 HydrophobicContact CD2-CB 3.82Å; L450-L467 HydrophobicContact CD2-CD1 4.03Å; L450-L467 HydrophobicContact CG-CB 3.85Å; L450-L467 HydrophobicContact CG-CD1 3.8Å; L450-L467 HydrophobicContact CG-CG 4.36Å; L450-L467 WeakPolarHBondContact O-CB 3.2Å; L450-L467 PolarHBondContact O-N 2.84Å; L450-E468 HydrophobicContact CB-CG 3.96Å; L450-E468 PolarHBondContact N-OE2 3.16Å
451L94.6Very high88.3Confident6 Ų646.6 Ų46.63%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-120140.2-174.4-61.8168.7000109.6E387 V388 L397 V427 Y465 L474E387-L451 CarbonylContact C-O 3.55Å; E387-L451 WeakPolarHBondContact CA-O 3.49Å; V388-L451 HydrophobicContact CG1-CB 4.07Å; V388-L451 PolarHBondContact N-O 3.38Å; V388-L451 PolarHBondContact O-N 3.17Å; L397-L451 HydrophobicContact CD1-CB 3.8Å; L397-L451 HydrophobicContact CD1-CD1 3.46Å; L397-L451 VanDerWaalsContact CD1-CD1 3.46Å; L397-L451 HydrophobicContact CD1-CG 4.26Å; L397-L451 HydrophobicContact CG-CD1 4.5Å; V427-L451 HydrophobicContact CG2-CD1 3.93Å; L451-Y465 CarbonylContact C-O 3.52Å; L451-Y465 VanDerWaalsContact CA-O 3.3Å; L451-Y465 WeakPolarHBondContact CA-O 3.43Å; L451-L474 HydrophobicContact CD2-CD1 3.97Å
452G95.5Very high88.6Confident0 Ų043.1 Ų43.10%025%0.254CS..EExtended strand (participates in β ladder)trans-109144.4175.700000110.9F464 Y465G452-F464 CarbonylContact O-C 3.56Å; G452-F464 WeakPolarHBondContact O-CA 3.39Å; G452-Y465 PolarHBondContact N-O 2.93Å; G452-Y465 PolarHBondContact O-N 3.27Å
453M97.6Very high88.9Confident0 Ų034.6 Ų34.60%022%0.223CC..EExtended strand (participates in β ladder)trans-125.1121.4172.7-66.917569.500108.6Y385 W386 L397 G398 V399 L462 F464 F489Y385-M453 WeakPolarHBondContact CA-O 3.45Å; Y385-M453 WeakPolarHBondContact CD2-O 3.46Å; W386-M453 HydrophobicContact CD2-CB 4.06Å; W386-M453 HydrophobicContact CG-CB 4.49Å; W386-M453 HydrophobicContact CH2-CB 4.37Å; W386-M453 HydrophobicContact CH2-CE 4.41Å; W386-M453 HydrophobicContact CZ2-CB 3.75Å; W386-M453 HydrophobicContact CZ2-CE 3.46Å; W386-M453 VanDerWaalsContact CZ2-CE 3.46Å; W386-M453 HydrophobicContact CZ2-CG 4.42Å; W386-M453 HydrophobicContact CZ2-SD 3.86Å; W386-M453 PolarHBondContact N-O 3.22Å; W386-M453 PolarHBondContact NE1-SD 3.3Å; W386-M453 PolarHBondContact O-N 2.92Å; L397-M453 HydrophobicContact CB-SD 3.91Å; G398-M453 WeakPolarHBondContact O-CE 3.36Å; V399-M453 HydrophobicContact CG1-CE 4.13Å; M453-L462 HydrophobicContact CE-CD1 4.42Å; M453-F464 HydrophobicContact CE-CE1 3.64Å; M453-F464 HydrophobicContact CE-CZ 4.04Å; M453-F464 HydrophobicContact CG-CD1 3.85Å; M453-F464 HydrophobicContact CG-CE1 3.89Å; M453-F464 HydrophobicContact SD-CE1 4.06Å; M453-F489 HydrophobicContact SD-CE1 4.31Å
454D96.8Very high89.2Confident16 Ų1633.7 Ų33.79%0.08622%0.219CC..EExtended strand (participates in β ladder)trans-113.8114.1178.3-166.545.7000109.1L326 H383 Y385 L462 T463 Y465L326-D454 HydrophobicContact CD2-CB 4Å; H383-D454 IonicContact CD2-OD1 3.74Å; H383-D454 PolarHBondContact CD2-OD1 2.73Å; H383-D454 IonicContact CE1-OD1 3.22Å; H383-D454 IonicContact CE1-OD2 2.68Å; H383-D454 IonicContact NE2-OD1 3.22Å; H383-D454 PolarHBondContact NE2-OD1 2.62Å; H383-D454 IonicContact NE2-OD2 3.75Å; H383-D454 PolarHBondContact NE2-OD2 2.7Å; Y385-D454 HydrophobicContact CD2-CB 3.89Å; Y385-D454 HydrophobicContact CE2-CB 4.47Å; D454-L462 CarbonylContact O-C 3.59Å; D454-L462 WeakPolarHBondContact O-CA 3.45Å; D454-T463 PolarHBondContact N-O 3.16Å; D454-T463 PolarHBondContact O-N 2.95Å; D454-Y465 HydrophobicContact CB-CD2 4.4Å; D454-Y465 HydrophobicContact CB-CE2 3.66Å
455L96.4Very high89.8Confident0 Ų030.3 Ų30.30%019%0.193CC..EExtended strand (participates in β ladder)trans-113110.2-178.3175.665.2000109F379 H383 H384 W386 L457 L462 F481 L485F379-L455 HydrophobicContact CB-CD2 4.32Å; F379-L455 HydrophobicContact CD2-CD2 4.06Å; H383-L455 CarbonylContact C-O 3.55Å; H383-L455 WeakPolarHBondContact CA-O 3.47Å; H383-L455 PolarHBondContact CD2-O 3.01Å; H384-L455 PolarHBondContact N-O 3.28Å; H384-L455 PolarHBondContact O-N 2.74Å; W386-L455 HydrophobicContact CH2-CB 4.01Å; W386-L455 HydrophobicContact CH2-CD2 4.24Å; W386-L455 HydrophobicContact CZ3-CB 3.9Å; W386-L455 HydrophobicContact CZ3-CD2 4.41Å; L455-L457 HydrophobicContact CD1-CD2 4.22Å; L455-L457 HydrophobicContact CD1-CG 4.43Å; L455-L457 HydrophobicContact CD2-CD2 4.29Å; L455-L457 HydrophobicContact CD2-CG 4.27Å; L455-L457 HydrophobicContact CG-CD2 4.34Å; L455-L457 HydrophobicContact CG-CG 4.13Å; L455-L462 HydrophobicContact CB-CD1 4.21Å; L455-L462 HydrophobicContact CD1-CB 4.34Å; L455-L462 HydrophobicContact CD1-CD1 4.18Å; L455-F481 HydrophobicContact CD1-CD2 4.28Å; L455-F481 HydrophobicContact CD1-CE2 3.87Å; L455-F481 HydrophobicContact CD1-CZ 4.32Å; L455-L485 HydrophobicContact CD1-CD1 3.78Å; L455-L485 HydrophobicContact CD2-CB 4.26Å; L455-L485 HydrophobicContact CD2-CD1 4.15Å
456D94.1Very high90.5Very high35 Ų3528.4 Ų28.419%0.18717%0.174CC..EExtended strand (participates in β ladder)trans-109.4100.1171.4-178.1-6000108.9A458 S459 G460 C461D456-A458 VanDerWaalsContact C-N 3.26Å; D456-A458 PolarHBondContact O-N 3.23Å; D456-A458 WeakPolarHBondContact OD1-CB 3.36Å; D456-A458 PolarHBondContact OD1-N 2.77Å; D456-S459 WeakPolarHBondContact CB-OG 3.39Å; D456-S459 PolarHBondContact OD1-N 3.13Å; D456-S459 VanDerWaalsContact OD2-CB 3.24Å; D456-S459 WeakPolarHBondContact OD2-CB 3.44Å; D456-S459 PolarHBondContact OD2-OG 3.27Å; D456-G460 PolarHBondContact O-N 2.8Å; D456-C461 PolarHBondContact N-O 2.93Å; D456-C461 PolarHBondContact O-N 3.09Å
457L88.8Confident91.2Very high21 Ų2127.7 Ų27.711%0.1117%0.169CC..THydrogen-bonded Turntrans-69.6-27.4-179.4-69.6162000111.8F379 G382 L455 F481 L485F379-L457 HydrophobicContact CB-CD1 3.78Å; G382-L457 WeakPolarHBondContact O-CB 3.24Å; G382-L457 PolarHBondContact O-N 3.44Å; L455-L457 HydrophobicContact CD1-CD2 4.22Å; L455-L457 HydrophobicContact CD1-CG 4.43Å; L455-L457 HydrophobicContact CD2-CD2 4.29Å; L455-L457 HydrophobicContact CD2-CG 4.27Å; L455-L457 HydrophobicContact CG-CD2 4.34Å; L455-L457 HydrophobicContact CG-CG 4.13Å; L457-F481 HydrophobicContact CD2-CB 3.7Å; L457-F481 HydrophobicContact CD2-CD2 3.95Å; L457-F481 HydrophobicContact CD2-CG 4.06Å; L457-L485 HydrophobicContact CD2-CD1 3.85Å; L457-L485 HydrophobicContact CD2-CG 4.44Å
458A84.8Confident91.9Very high92 Ų9224.8 Ų24.876%0.7614%0.142SC*.THydrogen-bonded Turntrans-76-40.4-178.100000111.5D456D456-A458 VanDerWaalsContact C-N 3.26Å; D456-A458 PolarHBondContact O-N 3.23Å; D456-A458 WeakPolarHBondContact OD1-CB 3.36Å; D456-A458 PolarHBondContact OD1-N 2.77Å
459S86.1Confident91.8Very high67 Ų6730.2 Ų30.247%0.46918%0.176SC..THydrogen-bonded Turntrans-87.8-8.3175.370.10000114D456 C461D456-S459 WeakPolarHBondContact CB-OG 3.39Å; D456-S459 PolarHBondContact OD1-N 3.13Å; D456-S459 VanDerWaalsContact OD2-CB 3.24Å; D456-S459 WeakPolarHBondContact OD2-CB 3.44Å; D456-S459 PolarHBondContact OD2-OG 3.27Å; S459-C461 PolarHBondContact OG-SG 3.03Å; S459-C461 VanDerWaalsContact OG-SG 3.37Å
460G90.5Very high91.4Very high5 Ų531 Ų315%0.05219%0.185CC..THydrogen-bonded Turntrans72.430.3-178.600000113.5D456 H478 A479D456-G460 PolarHBondContact O-N 2.8Å; G460-H478 WeakPolarHBondContact O-CA 3.43Å; G460-A479 CarbonylContact C-O 3.57Å; G460-A479 WeakPolarHBondContact CA-O 3.47Å; G460-A479 PolarHBondContact O-N 3.18Å
461C93.9Very high91.1Very high26 Ų2632 Ų3218%0.17619%0.192CC..EExtended strand (participates in β ladder)trans-110.9134.2-176.4-60.90000111.7D456 S459 T476 F477D456-C461 PolarHBondContact N-O 2.93Å; D456-C461 PolarHBondContact O-N 3.09Å; S459-C461 PolarHBondContact OG-SG 3.03Å; S459-C461 VanDerWaalsContact OG-SG 3.37Å; C461-T476 HydrophobicContact CB-CG2 4.17Å; C461-F477 WeakPolarHBondContact CA-O 3.36Å
462L96.6Very high90.7Very high0 Ų036 Ų360%021%0.211CC..EExtended strand (participates in β ladder)trans-123.4106.7165.1172.770.2000108.9V399 W423 M453 D454 L455 F464 T476 F477 F481V399-L462 HydrophobicContact CG1-CD1 4.23Å; V399-L462 HydrophobicContact CG2-CD1 4.49Å; V399-L462 HydrophobicContact CG2-CD2 3.53Å; W423-L462 HydrophobicContact CB-CD2 3.84Å; M453-L462 HydrophobicContact CE-CD1 4.42Å; D454-L462 CarbonylContact O-C 3.59Å; D454-L462 WeakPolarHBondContact O-CA 3.45Å; L455-L462 HydrophobicContact CB-CD1 4.21Å; L455-L462 HydrophobicContact CD1-CB 4.34Å; L455-L462 HydrophobicContact CD1-CD1 4.18Å; L462-F464 HydrophobicContact CD2-CE2 3.69Å; L462-F464 HydrophobicContact CD2-CZ 3.81Å; L462-F464 HydrophobicContact CG-CD2 4.49Å; L462-F464 HydrophobicContact CG-CE2 3.74Å; L462-F464 HydrophobicContact CG-CZ 4.13Å; L462-T476 CarbonylContact O-C 3.59Å; L462-T476 WeakPolarHBondContact O-CA 3.46Å; L462-F477 HydrophobicContact CB-CB 4.34Å; L462-F477 HydrophobicContact CD2-CD2 4.07Å; L462-F477 PolarHBondContact N-O 2.63Å; L462-F477 PolarHBondContact O-N 3.32Å; L462-F481 HydrophobicContact CB-CZ 4.1Å
463T95.3Very high90.4Very high12 Ų1238.3 Ų38.37%0.07423%0.225CC..EExtended strand (participates in β ladder)trans-107.7132.7-178.4-54.80000111.7D454 Y465 P473 Y475 T476D454-T463 PolarHBondContact N-O 3.16Å; D454-T463 PolarHBondContact O-N 2.95Å; T463-Y465 HydrophobicContact CG2-CD2 4.06Å; T463-Y465 HydrophobicContact CG2-CE1 4.14Å; T463-Y465 HydrophobicContact CG2-CE2 3.37Å; T463-Y465 VanDerWaalsContact CG2-CZ 3.41Å; T463-Y465 WeakPolarHBondContact CG2-OH 3.46Å; T463-P473 HydrophobicContact CG2-CB 4.19Å; T463-Y475 CarbonylContact C-O 3.58Å; T463-Y475 VanDerWaalsContact CA-O 3.31Å; T463-Y475 WeakPolarHBondContact CA-O 3.33Å; T463-T476 VanDerWaalsContact CG2-OG1 3.29Å; T463-T476 WeakPolarHBondContact CG2-OG1 3.43Å; T463-T476 VanDerWaalsContact OG1-CG2 3.28Å; T463-T476 WeakPolarHBondContact OG1-CG2 3.43Å; T463-T476 PolarHBondContact OG1-OG1 3.03Å
464F95.1Very high90.1Very high2 Ų239.1 Ų39.11%0.00923%0.23CC..EExtended strand (participates in β ladder)trans-101.2142.3173.1-64.4-95.8000110L397 L425 G452 M453 L462 L474 Y475 F477L397-F464 HydrophobicContact CB-CE1 4.1Å; L425-F464 HydrophobicContact CB-CD1 3.68Å; L425-F464 HydrophobicContact CB-CD2 4.18Å; L425-F464 HydrophobicContact CB-CE1 3.63Å; L425-F464 HydrophobicContact CB-CE2 4.17Å; L425-F464 HydrophobicContact CB-CG 3.95Å; L425-F464 HydrophobicContact CB-CZ 3.89Å; L425-F464 HydrophobicContact CD2-CB 3.61Å; L425-F464 HydrophobicContact CD2-CD1 3.74Å; L425-F464 HydrophobicContact CD2-CD2 4.48Å; L425-F464 HydrophobicContact CD2-CG 3.69Å; L425-F464 HydrophobicContact CG-CD1 4.36Å; L425-F464 HydrophobicContact CG-CG 4.38Å; G452-F464 CarbonylContact O-C 3.56Å; G452-F464 WeakPolarHBondContact O-CA 3.39Å; M453-F464 HydrophobicContact CE-CE1 3.64Å; M453-F464 HydrophobicContact CE-CZ 4.04Å; M453-F464 HydrophobicContact CG-CD1 3.85Å; M453-F464 HydrophobicContact CG-CE1 3.89Å; M453-F464 HydrophobicContact SD-CE1 4.06Å; L462-F464 HydrophobicContact CD2-CE2 3.69Å; L462-F464 HydrophobicContact CD2-CZ 3.81Å; L462-F464 HydrophobicContact CG-CD2 4.49Å; L462-F464 HydrophobicContact CG-CE2 3.74Å; L462-F464 HydrophobicContact CG-CZ 4.13Å; F464-L474 HydrophobicContact CB-CB 4.31Å; F464-L474 WeakPolarHBondContact O-CB 3.23Å; F464-L474 PolarHBondContact O-N 2.96Å; F464-Y475 PolarHBondContact N-O 2.83Å; F464-F477 HydrophobicContact CD2-CD2 4.4Å; F464-F477 HydrophobicContact CD2-CE2 4.33Å; F464-F477 AromaticContact CE2-CD2 3.72Å; F464-F477 HydrophobicContact CE2-CD2 3.72Å; F464-F477 AromaticContact CE2-CE2 3.58Å; F464-F477 HydrophobicContact CE2-CE2 3.58Å; F464-F477 HydrophobicContact CZ-CE2 4.37Å
465Y92.9Very high89.8Confident23 Ų2339.5 Ų39.59%0.0923%0.23CC..EExtended strand (participates in β ladder)trans-128.2143.1-179.2-65.1-93.7000111.2L322 L326 L451 G452 D454 T463 Q472 P473L322-Y465 HydrophobicContact CD2-CD1 4.48Å; L322-Y465 HydrophobicContact CD2-CE1 4.09Å; L326-Y465 HydrophobicContact CD1-CD1 4.37Å; L326-Y465 HydrophobicContact CD1-CD2 4.26Å; L326-Y465 HydrophobicContact CD1-CE1 4.33Å; L326-Y465 HydrophobicContact CD1-CE2 4.19Å; L326-Y465 HydrophobicContact CD1-CG 4.34Å; L326-Y465 HydrophobicContact CD2-CE2 4.08Å; L451-Y465 CarbonylContact C-O 3.52Å; L451-Y465 VanDerWaalsContact CA-O 3.3Å; L451-Y465 WeakPolarHBondContact CA-O 3.43Å; G452-Y465 PolarHBondContact N-O 2.93Å; G452-Y465 PolarHBondContact O-N 3.27Å; D454-Y465 HydrophobicContact CB-CD2 4.4Å; D454-Y465 HydrophobicContact CB-CE2 3.66Å; T463-Y465 HydrophobicContact CG2-CD2 4.06Å; T463-Y465 HydrophobicContact CG2-CE1 4.14Å; T463-Y465 HydrophobicContact CG2-CE2 3.37Å; T463-Y465 VanDerWaalsContact CG2-CZ 3.41Å; T463-Y465 WeakPolarHBondContact CG2-OH 3.46Å; Y465-Q472 CarbonylContact C-O 3.42Å; Y465-Q472 VanDerWaalsContact CA-O 3.29Å; Y465-Q472 WeakPolarHBondContact CA-O 3.2Å; Y465-P473 HydrophobicContact CD1-CB 3.98Å; Y465-P473 HydrophobicContact CD1-CG 4.42Å; Y465-P473 HydrophobicContact CE1-CB 3.71Å; Y465-P473 HydrophobicContact CE1-CG 4.01Å
466S91.5Very high89.6Confident0 Ų040.2 Ų40.20%024%0.235CC..EExtended strand (participates in β ladder)trans-88.1134.1156.1-175.90000107.8E468 Q470 T471 Q472 L474S466-E468 PolarHBondContact OG-O 2.94Å; S466-Q470 VanDerWaalsContact O-O 3.13Å; S466-T471 CarbonylContact O-C 3.55Å; S466-T471 VanDerWaalsContact O-CA 3.26Å; S466-T471 WeakPolarHBondContact O-CA 3.42Å; S466-Q472 PolarHBondContact N-O 3.43Å; S466-Q472 PolarHBondContact O-N 2.93Å; S466-L474 VanDerWaalsContact N-CG 3.35Å
467L90.4Very high89.5Confident8 Ų839.2 Ų39.24%0.04223%0.228CC..  trans-106.4-3.4-179.9-57.1178.5000112.6E387 L450 T471E387-L467 HydrophobicContact CB-CD1 4.2Å; E387-L467 HydrophobicContact CG-CD1 3.54Å; L450-L467 HydrophobicContact CB-CB 4.2Å; L450-L467 HydrophobicContact CD2-CB 3.82Å; L450-L467 HydrophobicContact CD2-CD1 4.03Å; L450-L467 HydrophobicContact CG-CB 3.85Å; L450-L467 HydrophobicContact CG-CD1 3.8Å; L450-L467 HydrophobicContact CG-CG 4.36Å; L450-L467 WeakPolarHBondContact O-CB 3.2Å; L450-L467 PolarHBondContact O-N 2.84Å; L467-T471 HydrophobicContact CD2-CG2 3.63Å
468E86.4Confident89.6Confident61 Ų6139.8 Ų39.829%0.28523%0.231SC..SBendtrans-135.3138.4180-70.6170.217400109.8R389 G448 R449 L450 S466 Q470R389-E468 IonicContact CZ-OE1 3.08Å; R389-E468 VanDerWaalsContact CZ-OE1 3.31Å; R389-E468 IonicContact NH1-OE1 3.08Å; R389-E468 PolarHBondContact NH1-OE1 3.39Å; R389-E468 IonicContact NH1-OE2 2.91Å; R389-E468 PolarHBondContact NH1-OE2 3.2Å; R389-E468 IonicContact NH2-OE1 2.62Å; R389-E468 PolarHBondContact NH2-OE1 3.27Å; G448-E468 WeakPolarHBondContact CA-O 3.49Å; R449-E468 PolarHBondContact N-OE2 2.84Å; L450-E468 HydrophobicContact CB-CG 3.96Å; L450-E468 PolarHBondContact N-OE2 3.16Å; S466-E468 PolarHBondContact OG-O 2.94Å; E468-Q470 VanDerWaalsContact C-N 3.3Å
469P76.3Confident89.7Confident123 Ų12336 Ų3680%0.79920%0.199SC*.SBendcis-73.6-18.8-8.831.7-34.8000113
470Q81.5Confident89.5Confident146 Ų14636 Ų3668%0.68219%0.193SC*.SBendtrans-127.4149.9177.9-62.5178.530.200109.5S466 E468 Q472S466-Q470 VanDerWaalsContact O-O 3.13Å; E468-Q470 VanDerWaalsContact C-N 3.3Å; Q470-Q472 PolarHBondContact O-N 3.16Å
471T87.2Confident89.4Confident29 Ų2937 Ų3718%0.17820%0.196CC..  trans-76.5111.7175.9-56.10000110.1C320 L322 R323 S466 L467C320-T471 WeakPolarHBondContact SG-CB 3.49Å; C320-T471 PolarHBondContact SG-OG1 2.88Å; L322-T471 HydrophobicContact CD2-CG2 4.01Å; L322-T471 HydrophobicContact CG-CG2 4.24Å; R323-T471 HydrophobicContact CB-CG2 4.21Å; S466-T471 CarbonylContact O-C 3.55Å; S466-T471 VanDerWaalsContact O-CA 3.26Å; S466-T471 WeakPolarHBondContact O-CA 3.42Å; L467-T471 HydrophobicContact CD2-CG2 3.63Å
472Q86.8Confident89Confident91 Ų9140.7 Ų40.743%0.42521%0.214SC..EExtended strand (participates in β ladder)trans-139.7143.5179.564.5-1742.800110.9Y465 S466 Q470 L474Y465-Q472 CarbonylContact C-O 3.42Å; Y465-Q472 VanDerWaalsContact CA-O 3.29Å; Y465-Q472 WeakPolarHBondContact CA-O 3.2Å; S466-Q472 PolarHBondContact N-O 3.43Å; S466-Q472 PolarHBondContact O-N 2.93Å; Q470-Q472 PolarHBondContact O-N 3.16Å; Q472-L474 HydrophobicContact CG-CD2 4.43Å
473P90.2Very high88.6Confident47 Ų4743.9 Ų43.931%0.30523%0.229SC..EExtended strand (participates in β ladder)trans-68.5144.8172.685.1000109.8L288 T463 Y465L288-P473 HydrophobicContact CD2-CB 3.65Å; L288-P473 HydrophobicContact CD2-CG 3.55Å; T463-P473 HydrophobicContact CG2-CB 4.19Å; Y465-P473 HydrophobicContact CD1-CB 3.98Å; Y465-P473 HydrophobicContact CD1-CG 4.42Å; Y465-P473 HydrophobicContact CE1-CB 3.71Å; Y465-P473 HydrophobicContact CE1-CG 4.01Å
474L89.9Confident88.4Confident18 Ų1845.1 Ų45.19%0.09424%0.237CC..EExtended strand (participates in β ladder)trans-105.9-46178.7-57.8-178.9000111L425 L432 V446 L451 F464 S466 Q472L425-L474 HydrophobicContact CD2-CD1 4.11Å; L432-L474 HydrophobicContact CD1-CB 4.38Å; L432-L474 HydrophobicContact CD1-CD1 3.99Å; L432-L474 HydrophobicContact CD1-CD2 4.29Å; L432-L474 HydrophobicContact CD1-CG 4.44Å; V446-L474 HydrophobicContact CG1-CD2 3.51Å; V446-L474 HydrophobicContact CG2-CD1 4.39Å; L451-L474 HydrophobicContact CD2-CD1 3.97Å; F464-L474 HydrophobicContact CB-CB 4.31Å; F464-L474 WeakPolarHBondContact O-CB 3.23Å; F464-L474 PolarHBondContact O-N 2.96Å; S466-L474 VanDerWaalsContact N-CG 3.35Å; Q472-L474 HydrophobicContact CG-CD2 4.43Å
475Y91.2Very high88.5Confident23 Ų2345 Ų459%0.0924%0.237CC..EExtended strand (participates in β ladder)trans-164.4146.6-176.6-165.1-106.6000110.9A434 Q441 L443 T463 F464 F477A434-Y475 HydrophobicContact CB-CD1 3.44Å; A434-Y475 VanDerWaalsContact CB-CD1 3.44Å; A434-Y475 HydrophobicContact CB-CD2 4.19Å; A434-Y475 HydrophobicContact CB-CE1 3.41Å; A434-Y475 VanDerWaalsContact CB-CE1 3.41Å; A434-Y475 HydrophobicContact CB-CE2 4.16Å; A434-Y475 HydrophobicContact CB-CG 3.82Å; Q441-Y475 HydrophobicContact CG-CE2 4.42Å; Q441-Y475 PolarHBondContact OE1-OH 3.36Å; L443-Y475 HydrophobicContact CD1-CD2 3.67Å; L443-Y475 HydrophobicContact CD1-CG 3.82Å; L443-Y475 HydrophobicContact CD2-CD2 3.68Å; L443-Y475 HydrophobicContact CD2-CE2 4.12Å; L443-Y475 HydrophobicContact CG-CD2 4.26Å; T463-Y475 CarbonylContact C-O 3.58Å; T463-Y475 VanDerWaalsContact CA-O 3.31Å; T463-Y475 WeakPolarHBondContact CA-O 3.33Å; F464-Y475 PolarHBondContact N-O 2.83Å; Y475-F477 HydrophobicContact CD1-CD1 4.41Å; Y475-F477 AromaticContact CD1-CD2 3.89Å; Y475-F477 HydrophobicContact CD1-CD2 3.89Å; Y475-F477 HydrophobicContact CD1-CE1 4.33Å; Y475-F477 AromaticContact CD1-CE2 3.8Å; Y475-F477 HydrophobicContact CD1-CE2 3.8Å; Y475-F477 HydrophobicContact CD1-CG 4.22Å; Y475-F477 HydrophobicContact CD1-CZ 4.05Å; Y475-F477 AromaticContact CE1-CD1 3.67Å; Y475-F477 HydrophobicContact CE1-CD1 3.67Å; Y475-F477 AromaticContact CE1-CD2 3.98Å; Y475-F477 HydrophobicContact CE1-CD2 3.98Å; Y475-F477 AromaticContact CE1-CE1 3.64Å; Y475-F477 HydrophobicContact CE1-CE1 3.64Å; Y475-F477 AromaticContact CE1-CE2 3.95Å; Y475-F477 HydrophobicContact CE1-CE2 3.95Å; Y475-F477 AromaticContact CE1-CG 3.87Å; Y475-F477 HydrophobicContact CE1-CG 3.87Å; Y475-F477 AromaticContact CE1-CZ 3.8Å; Y475-F477 HydrophobicContact CE1-CZ 3.8Å
476T93.3Very high88.7Confident16 Ų1644.8 Ų44.810%0.09824%0.238CC..EExtended strand (participates in β ladder)trans-125.2121.9172.4-580000109.7C461 L462 T463C461-T476 HydrophobicContact CB-CG2 4.17Å; L462-T476 CarbonylContact O-C 3.59Å; L462-T476 WeakPolarHBondContact O-CA 3.46Å; T463-T476 VanDerWaalsContact CG2-OG1 3.29Å; T463-T476 WeakPolarHBondContact CG2-OG1 3.43Å; T463-T476 VanDerWaalsContact OG1-CG2 3.28Å; T463-T476 WeakPolarHBondContact OG1-CG2 3.43Å; T463-T476 PolarHBondContact OG1-OG1 3.03Å
477F91.8Very high89Confident13 Ų1344.8 Ų44.86%0.05724%0.238CC..EExtended strand (participates in β ladder)trans-82.2137.8163.2-66.9-84.1000109.8W423 A434 H436 C461 L462 F464 Y475W423-F477 HydrophobicContact CB-CD2 4.12Å; W423-F477 HydrophobicContact CB-CE2 4.18Å; W423-F477 HydrophobicContact CB-CG 4.3Å; W423-F477 HydrophobicContact CB-CZ 4.42Å; W423-F477 AromaticContact CD1-CD1 3.61Å; W423-F477 AromaticContact CD1-CG 3.73Å; W423-F477 HydrophobicContact CG-CD1 4.49Å; W423-F477 HydrophobicContact CG-CG 4.37Å; A434-F477 HydrophobicContact CB-CE1 4.25Å; A434-F477 HydrophobicContact CB-CE2 4.33Å; A434-F477 HydrophobicContact CB-CZ 3.7Å; H436-F477 HydrophobicContact CB-CD1 4.22Å; H436-F477 HydrophobicContact CB-CE1 3.73Å; C461-F477 WeakPolarHBondContact CA-O 3.36Å; L462-F477 HydrophobicContact CB-CB 4.34Å; L462-F477 HydrophobicContact CD2-CD2 4.07Å; L462-F477 PolarHBondContact N-O 2.63Å; L462-F477 PolarHBondContact O-N 3.32Å; F464-F477 HydrophobicContact CD2-CD2 4.4Å; F464-F477 HydrophobicContact CD2-CE2 4.33Å; F464-F477 AromaticContact CE2-CD2 3.72Å; F464-F477 HydrophobicContact CE2-CD2 3.72Å; F464-F477 AromaticContact CE2-CE2 3.58Å; F464-F477 HydrophobicContact CE2-CE2 3.58Å; F464-F477 HydrophobicContact CZ-CE2 4.37Å; Y475-F477 HydrophobicContact CD1-CD1 4.41Å; Y475-F477 AromaticContact CD1-CD2 3.89Å; Y475-F477 HydrophobicContact CD1-CD2 3.89Å; Y475-F477 HydrophobicContact CD1-CE1 4.33Å; Y475-F477 AromaticContact CD1-CE2 3.8Å; Y475-F477 HydrophobicContact CD1-CE2 3.8Å; Y475-F477 HydrophobicContact CD1-CG 4.22Å; Y475-F477 HydrophobicContact CD1-CZ 4.05Å; Y475-F477 AromaticContact CE1-CD1 3.67Å; Y475-F477 HydrophobicContact CE1-CD1 3.67Å; Y475-F477 AromaticContact CE1-CD2 3.98Å; Y475-F477 HydrophobicContact CE1-CD2 3.98Å; Y475-F477 AromaticContact CE1-CE1 3.64Å; Y475-F477 HydrophobicContact CE1-CE1 3.64Å; Y475-F477 AromaticContact CE1-CE2 3.95Å; Y475-F477 HydrophobicContact CE1-CE2 3.95Å; Y475-F477 AromaticContact CE1-CG 3.87Å; Y475-F477 HydrophobicContact CE1-CG 3.87Å; Y475-F477 AromaticContact CE1-CZ 3.8Å; Y475-F477 HydrophobicContact CE1-CZ 3.8Å
478H89.1Confident89.4Confident34 Ų3444.4 Ų44.416%0.15724%0.236CC..EExtended strand (participates in β ladder)trans-113.6109.3172.4-58.888.8000108.5C284 G460C284-H478 PolarHBondContact SG-CE1 2.97Å; G460-H478 WeakPolarHBondContact O-CA 3.43Å
479A86.9Confident89.9Confident11 Ų1141.5 Ų41.59%0.09122%0.222CC..  trans-145.7155.2-176.100000111.2W423 G460 F481W423-A479 HydrophobicContact CZ2-CB 3.87Å; G460-A479 CarbonylContact C-O 3.57Å; G460-A479 WeakPolarHBondContact CA-O 3.47Å; G460-A479 PolarHBondContact O-N 3.18Å; A479-F481 HydrophobicContact CB-CD1 4.26Å; A479-F481 HydrophobicContact CB-CE1 3.75Å; A479-F481 HydrophobicContact CB-CZ 4.05Å; A479-F481 PolarHBondContact O-N 3.45Å
480L83.9Confident90.9Very high67 Ų6736.5 Ų36.535%0.35119%0.187SC..  trans-85113.3167.7-71.4-179.9000108.1E269 L273 Y401 N482E269-L480 HydrophobicContact CB-CD1 3.94Å; L273-L480 HydrophobicContact CD1-CD1 3.35Å; L273-L480 HydrophobicContact CD1-CD2 3.98Å; L273-L480 HydrophobicContact CD1-CG 3.83Å; Y401-L480 PolarHBondContact OH-O 3.28Å; L480-N482 PolarHBondContact O-N 3.28Å
481F88.3Confident91.6Very high28 Ų2829.5 Ų29.512%0.12316%0.155CC..  trans-89.999.4176.7-57.1-55.6000109.5Y401 W423 L455 L457 L462 A479 L485Y401-F481 WeakPolarHBondContact OH-CA 3.36Å; W423-F481 AromaticContact CD2-CE1 3.97Å; W423-F481 HydrophobicContact CD2-CE1 3.97Å; W423-F481 AromaticContact CE2-CE1 3.87Å; W423-F481 HydrophobicContact CE3-CE1 4.05Å; W423-F481 AromaticContact CH2-CD1 3.98Å; W423-F481 HydrophobicContact CH2-CD1 3.98Å; W423-F481 HydrophobicContact CH2-CE1 4.02Å; W423-F481 HydrophobicContact CZ2-CD1 4.19Å; W423-F481 AromaticContact CZ2-CE1 3.91Å; W423-F481 HydrophobicContact CZ2-CE1 3.91Å; W423-F481 HydrophobicContact CZ3-CD1 4.19Å; W423-F481 HydrophobicContact CZ3-CE1 4.09Å; L455-F481 HydrophobicContact CD1-CD2 4.28Å; L455-F481 HydrophobicContact CD1-CE2 3.87Å; L455-F481 HydrophobicContact CD1-CZ 4.32Å; L457-F481 HydrophobicContact CD2-CB 3.7Å; L457-F481 HydrophobicContact CD2-CD2 3.95Å; L457-F481 HydrophobicContact CD2-CG 4.06Å; L462-F481 HydrophobicContact CB-CZ 4.1Å; A479-F481 HydrophobicContact CB-CD1 4.26Å; A479-F481 HydrophobicContact CB-CE1 3.75Å; A479-F481 HydrophobicContact CB-CZ 4.05Å; A479-F481 PolarHBondContact O-N 3.45Å; F481-L485 HydrophobicContact CB-CD1 4.15Å; F481-L485 HydrophobicContact CD1-CD1 3.5Å; F481-L485 HydrophobicContact CD1-CG 4.38Å; F481-L485 HydrophobicContact CD2-CD1 4.14Å; F481-L485 HydrophobicContact CE1-CD1 3.81Å; F481-L485 HydrophobicContact CE2-CD1 4.4Å; F481-L485 HydrophobicContact CG-CD1 3.66Å; F481-L485 HydrophobicContact CZ-CD1 4.25Å
482N84.2Confident91.9Very high102 Ų10231 Ų3155%0.54516%0.162SC..  trans-98.2-0.7-175638.8000113.7Y401 L480Y401-N482 PolarHBondContact OH-N 3.46Å; Y401-N482 VanDerWaalsContact OH-N 3.12Å; Y401-N482 PolarHBondContact OH-OD1 3.4Å; Y401-N482 VanDerWaalsContact OH-OD1 3.14Å; L480-N482 PolarHBondContact O-N 3.28Å
483Q89.2Confident92.2Very high68 Ų6830.3 Ų30.332%0.31816%0.158SC..SBendtrans-141160.9-179.1-70.7-178.664.800111.2Y401 L485Y401-Q483 HydrophobicContact CD1-CB 3.58Å; Y401-Q483 HydrophobicContact CE1-CB 3.67Å; Y401-Q483 WeakPolarHBondContact CE1-O 3.5Å; Y401-Q483 HydrophobicContact CG-CB 4.09Å; Q483-L485 PolarHBondContact O-N 3.08Å
484P91.4Very high92.4Very high38 Ų3830.4 Ų30.425%0.24717%0.168CC..  trans-57.9131176.9-23.733.5000112.2F379 Q380F379-P484 CarbonylContact O-C 3.17Å; F379-P484 VanDerWaalsContact O-CA 3.3Å; F379-P484 WeakPolarHBondContact O-CA 3.31Å; Q380-P484 HydrophobicContact CB-CB 4.45Å; Q380-P484 HydrophobicContact CB-CG 4.28Å; Q380-P484 HydrophobicContact CG-CG 4.13Å
485L95.8Very high92.6Very high0 Ų031.9 Ų31.90%017%0.172CC..BIsolated β-bridgetrans-100.2133.9178.6-77.7177.3000111.3S378 F379 V399 Y401 W423 L455 L457 F481 Q483S378-L485 CarbonylContact C-O 3.58Å; S378-L485 WeakPolarHBondContact CA-O 3.45Å; F379-L485 PolarHBondContact N-O 3.47Å; F379-L485 PolarHBondContact O-N 2.87Å; V399-L485 HydrophobicContact CB-CB 4.32Å; V399-L485 HydrophobicContact CB-CD1 4.38Å; V399-L485 HydrophobicContact CB-CD2 4.16Å; V399-L485 HydrophobicContact CG2-CD1 3.88Å; V399-L485 HydrophobicContact CG2-CD2 3.94Å; V399-L485 HydrophobicContact CG2-CG 4.41Å; Y401-L485 HydrophobicContact CD1-CD2 3.46Å; Y401-L485 VanDerWaalsContact CD1-CD2 3.46Å; Y401-L485 HydrophobicContact CD1-CG 4.18Å; Y401-L485 HydrophobicContact CE1-CD2 3.55Å; Y401-L485 HydrophobicContact CE1-CG 4.01Å; Y401-L485 HydrophobicContact CG-CD2 4.4Å; W423-L485 HydrophobicContact CE3-CD2 4.16Å; W423-L485 HydrophobicContact CZ3-CD2 3.76Å; L455-L485 HydrophobicContact CD1-CD1 3.78Å; L455-L485 HydrophobicContact CD2-CB 4.26Å; L455-L485 HydrophobicContact CD2-CD1 4.15Å; L457-L485 HydrophobicContact CD2-CD1 3.85Å; L457-L485 HydrophobicContact CD2-CG 4.44Å; F481-L485 HydrophobicContact CB-CD1 4.15Å; F481-L485 HydrophobicContact CD1-CD1 3.5Å; F481-L485 HydrophobicContact CD1-CG 4.38Å; F481-L485 HydrophobicContact CD2-CD1 4.14Å; F481-L485 HydrophobicContact CE1-CD1 3.81Å; F481-L485 HydrophobicContact CE2-CD1 4.4Å; F481-L485 HydrophobicContact CG-CD1 3.66Å; F481-L485 HydrophobicContact CZ-CD1 4.25Å; Q483-L485 PolarHBondContact O-N 3.08Å
486T97.6Very high92.9Very high18 Ų1831.9 Ų31.911%0.1118%0.175CC..EExtended strand (participates in β ladder)trans-115127.8175.4-52.60000109.3Q374 C375 V399 S400 V488Q374-T486 HydrophobicContact CB-CG2 3.9Å; Q374-T486 HydrophobicContact CG-CG2 4.15Å; C375-T486 VanDerWaalsContact O-CG2 3.32Å; C375-T486 WeakPolarHBondContact O-CG2 3.4Å; V399-T486 CarbonylContact C-O 3.59Å; V399-T486 WeakPolarHBondContact CA-O 3.32Å; S400-T486 PolarHBondContact N-O 3.5Å; S400-T486 PolarHBondContact O-N 3.39Å; T486-V488 PolarHBondContact O-N 2.93Å
487P98.2Very high93.1Very high0 Ų031.1 Ų31.10%017%0.17CC..EExtended strand (participates in β ladder)trans-58.4133.9171.8-25.736.5000111.1L333 Q374 C375 Q377 F379 W386 G398 F489L333-P487 HydrophobicContact CD1-CB 4.29Å; L333-P487 HydrophobicContact CD1-CG 3.84Å; Q374-P487 CarbonylContact C-O 3.5Å; Q374-P487 VanDerWaalsContact CA-O 3.3Å; Q374-P487 WeakPolarHBondContact CA-O 3.29Å; C375-P487 HydrophobicContact CB-CB 4.11Å; C375-P487 HydrophobicContact CB-CG 4.3Å; C375-P487 PolarHBondContact N-O 2.76Å; Q377-P487 WeakPolarHBondContact O-CD 3.31Å; F379-P487 HydrophobicContact CD2-CG 4.5Å; F379-P487 HydrophobicContact CE2-CG 3.9Å; W386-P487 HydrophobicContact CH2-CG 3.88Å; W386-P487 HydrophobicContact CZ2-CB 3.84Å; W386-P487 HydrophobicContact CZ2-CG 3.61Å; G398-P487 CarbonylContact O-C 3.58Å; G398-P487 WeakPolarHBondContact O-CA 3.45Å; P487-F489 HydrophobicContact CB-CE2 3.8Å; P487-F489 HydrophobicContact CB-CZ 4.03Å
488V98.1Very high93.3Very high0 Ų031.8 Ų31.80%018%0.175CC..EExtended strand (participates in β ladder)trans-136.3143.4-175.764.70000110.5V373 Q374 G398 L404 I416 T486V373-V488 WeakPolarHBondContact O-CA 3.41Å; Q374-V488 HydrophobicContact CG-CB 4Å; Q374-V488 HydrophobicContact CG-CG2 3.85Å; G398-V488 PolarHBondContact N-O 3.43Å; G398-V488 PolarHBondContact O-N 2.81Å; L404-V488 HydrophobicContact CD2-CG1 4.47Å; L404-V488 HydrophobicContact CD2-CG2 3.99Å; I416-V488 HydrophobicContact CD1-CG1 4.07Å; I416-V488 HydrophobicContact CD1-CG2 3.99Å; I416-V488 HydrophobicContact CG1-CG1 4.1Å; I416-V488 HydrophobicContact CG1-CG2 4.2Å; I416-V488 HydrophobicContact CG2-CG1 4.05Å; T486-V488 PolarHBondContact O-N 2.93Å
489F98Very high93.7Very high0 Ų030.2 Ų30.20%017%0.168CC..EExtended strand (participates in β ladder)trans-137.5141.9-171.1-55.4-88.4000111.2F335 Q372 V373 V388 T396 L397 M453 P487 L497 L499F335-F489 HydrophobicContact CD1-CD2 4.21Å; F335-F489 HydrophobicContact CE1-CB 4.47Å; F335-F489 AromaticContact CE1-CD2 3.57Å; F335-F489 HydrophobicContact CE1-CD2 3.57Å; F335-F489 AromaticContact CE1-CE2 3.95Å; F335-F489 HydrophobicContact CE1-CE2 3.95Å; F335-F489 HydrophobicContact CE1-CG 4.02Å; Q372-F489 CarbonylContact C-O 3.55Å; Q372-F489 VanDerWaalsContact CA-O 3.26Å; Q372-F489 WeakPolarHBondContact CA-O 3.45Å; V373-F489 HydrophobicContact CG1-CB 4.11Å; V373-F489 PolarHBondContact N-O 3.16Å; V373-F489 PolarHBondContact O-N 2.9Å; V388-F489 HydrophobicContact CG2-CE1 4.47Å; T396-F489 WeakPolarHBondContact O-CA 3.43Å; L397-F489 HydrophobicContact CB-CD1 4.41Å; L397-F489 HydrophobicContact CB-CE1 4.42Å; L397-F489 HydrophobicContact CD2-CD1 3.53Å; L397-F489 HydrophobicContact CD2-CE1 3.86Å; M453-F489 HydrophobicContact SD-CE1 4.31Å; P487-F489 HydrophobicContact CB-CE2 3.8Å; P487-F489 HydrophobicContact CB-CZ 4.03Å; F489-L497 HydrophobicContact CB-CD1 3.83Å; F489-L497 HydrophobicContact CD1-CD1 3.94Å; F489-L497 HydrophobicContact CG-CD1 4.18Å; F489-L499 HydrophobicContact CE2-CD2 4.49Å; F489-L499 HydrophobicContact CZ-CD2 4.04Å
490W97.1Very high94.1Very high17 Ų1731.1 Ų31.16%0.06417%0.173CC..EExtended strand (participates in β ladder)trans-123.7144.3167.5175.195.8000109.3W371 Q372 S394 V395 T396 T413 D414 I416 L492W371-W490 HydrophobicContact CE3-CZ2 4.11Å; W371-W490 AromaticContact CE3-NE1 3.95Å; W371-W490 WeakPolarHBondContact O-CA 3.37Å; Q372-W490 HydrophobicContact CG-CB 4.27Å; S394-W490 VanDerWaalsContact O-CZ3 3.27Å; S394-W490 WeakPolarHBondContact O-CZ3 3.46Å; V395-W490 CarbonylContact C-O 3.53Å; V395-W490 VanDerWaalsContact CA-O 3.31Å; V395-W490 WeakPolarHBondContact CA-O 3.45Å; T396-W490 PolarHBondContact N-O 3.29Å; T396-W490 PolarHBondContact O-N 2.97Å; T413-W490 PolarHBondContact O-NE1 3.48Å; T413-W490 WeakPolarHBondContact OG1-CZ2 3.41Å; D414-W490 HydrophobicContact CB-CB 3.98Å; D414-W490 HydrophobicContact CB-CD2 4.29Å; D414-W490 HydrophobicContact CB-CG 3.63Å; I416-W490 HydrophobicContact CD1-CB 3.91Å; W490-L492 HydrophobicContact CH2-CB 4.01Å; W490-L492 HydrophobicContact CH2-CD1 4.25Å; W490-L492 HydrophobicContact CZ2-CD1 4.45Å; W490-L492 HydrophobicContact CZ3-CB 4.45Å
491L95.5Very high94.5Very high0 Ų031.1 Ų31.10%017%0.171CC..EExtended strand (participates in β ladder)trans-147.4136.8178.156.1152.6000111.6F344 V353 H355 V395 R495 L497F344-L491 HydrophobicContact CD2-CD2 4.35Å; F344-L491 HydrophobicContact CE1-CD2 4.02Å; F344-L491 HydrophobicContact CE1-CG 3.95Å; F344-L491 HydrophobicContact CE2-CD2 3.51Å; F344-L491 HydrophobicContact CE2-CG 4.34Å; F344-L491 HydrophobicContact CZ-CD2 3.29Å; F344-L491 HydrophobicContact CZ-CG 3.64Å; V353-L491 HydrophobicContact CG1-CD1 4.34Å; V353-L491 HydrophobicContact CG1-CD2 3.97Å; V353-L491 HydrophobicContact CG2-CD2 4.46Å; H355-L491 HydrophobicContact CB-CD1 3.83Å; H355-L491 HydrophobicContact CB-CG 4.14Å; H355-L491 PolarHBondContact ND1-O 3.42Å; V395-L491 HydrophobicContact CG1-CB 3.94Å; L491-R495 HydrophobicContact CB-CB 4.21Å; L491-R495 HydrophobicContact CD1-CB 4.35Å; L491-R495 WeakPolarHBondContact CD1-O 3.48Å; L491-L497 HydrophobicContact CB-CD1 4.47Å; L491-L497 HydrophobicContact CB-CG 4.46Å; L491-L497 HydrophobicContact CD2-CD1 4.12Å; L491-L497 HydrophobicContact CD2-CG 4.48Å
492L94.1Very high94.2Very high61 Ų6132 Ų3232%0.31918%0.176SC..  trans-64.5158.2176.2-172.363.8000111.8H355 W371 S394 W490 G494 R495H355-L492 WeakPolarHBondContact CB-O 3.3Å; H355-L492 PolarHBondContact ND1-O 2.94Å; W371-L492 HydrophobicContact CZ3-CD1 4.3Å; S394-L492 WeakPolarHBondContact O-CB 3.35Å; S394-L492 PolarHBondContact O-N 2.94Å; W490-L492 HydrophobicContact CH2-CB 4.01Å; W490-L492 HydrophobicContact CH2-CD1 4.25Å; W490-L492 HydrophobicContact CZ2-CD1 4.45Å; W490-L492 HydrophobicContact CZ3-CB 4.45Å; L492-G494 PolarHBondContact O-N 2.69Å; L492-R495 HydrophobicContact CB-CG 3.97Å; L492-R495 VanDerWaalsContact O-CB 3.27Å; L492-R495 WeakPolarHBondContact O-CB 3.4Å; L492-R495 VanDerWaalsContact O-CG 3.28Å; L492-R495 WeakPolarHBondContact O-CG 3.45Å; L492-R495 PolarHBondContact O-N 2.96Å; L492-R495 VanDerWaalsContact O-N 3.14Å
493E93.6Very high93.3Very high76 Ų7633.7 Ų33.736%0.35519%0.192SC..THydrogen-bonded Turntrans-52.6136.2175.6-169.5-170.9104.900111.7H355 R357 R495H355-E493 VanDerWaalsContact ND1-CA 3.34Å; H355-E493 WeakPolarHBondContact ND1-CA 3.38Å; H355-E493 PolarHBondContact ND1-N 3.2Å; H355-E493 VanDerWaalsContact ND1-N 3.12Å; R357-E493 WeakPolarHBondContact CD-OE1 3.3Å; R357-E493 HydrophobicContact CG-CG 4.03Å; R357-E493 WeakPolarHBondContact CG-OE1 3.47Å; R357-E493 IonicContact CZ-OE1 3.82Å; R357-E493 IonicContact NE-OE1 3.3Å; R357-E493 PolarHBondContact NE-OE1 2.97Å; R357-E493 IonicContact NH2-OE1 3.98Å; R357-E493 PolarHBondContact NH2-OE1 3Å; E493-R495 PolarHBondContact O-N 2.95Å
494G92.6Very high91.8Very high49 Ų4933.8 Ų33.851%0.50521%0.211SC..THydrogen-bonded Turntrans82.9-7.1-179.900000114.5H355 L492H355-G494 PolarHBondContact O-N 2.92Å; L492-G494 PolarHBondContact O-N 2.69Å
495R95.1Very high90.4Very high48 Ų4833 Ų3318%0.18121%0.208CC..  trans-85159.4176.9-52.5-50.7-170.2-177.79.8111.9H355 D392 H393 L491 L492 E493H355-R495 PolarHBondContact N-O 2.93Å; D392-R495 VanDerWaalsContact CG-NH1 3.32Å; D392-R495 IonicContact OD2-CZ 3.8Å; D392-R495 VanDerWaalsContact OD2-CZ 3.22Å; D392-R495 IonicContact OD2-NH1 2.72Å; D392-R495 PolarHBondContact OD2-NH1 2.74Å; D392-R495 IonicContact OD2-NH2 2.7Å; D392-R495 PolarHBondContact OD2-NH2 2.89Å; D392-R495 VanDerWaalsContact OD2-NH2 3.15Å; H393-R495 PolarHBondContact CE1-NH2 3.34Å; H393-R495 VanDerWaalsContact CE1-NH2 3.3Å; H393-R495 PolarHBondContact NE2-NH2 2.83Å; H393-R495 PolarHBondContact O-NE 3.42Å; H393-R495 VanDerWaalsContact O-NE 3.11Å; L491-R495 HydrophobicContact CB-CB 4.21Å; L491-R495 HydrophobicContact CD1-CB 4.35Å; L491-R495 WeakPolarHBondContact CD1-O 3.48Å; L492-R495 HydrophobicContact CB-CG 3.97Å; L492-R495 VanDerWaalsContact O-CB 3.27Å; L492-R495 WeakPolarHBondContact O-CB 3.4Å; L492-R495 VanDerWaalsContact O-CG 3.28Å; L492-R495 WeakPolarHBondContact O-CG 3.45Å; L492-R495 PolarHBondContact O-N 2.96Å; L492-R495 VanDerWaalsContact O-N 3.14Å; E493-R495 PolarHBondContact O-N 2.95Å
496T96.5Very high88.1Confident24 Ų2438.4 Ų38.415%0.14724%0.241CC..EExtended strand (participates in β ladder)trans-134135.3175.6-56.10000109.4Q352 V353 K354 S391Q352-T496 HydrophobicContact CG-CG2 3.47Å; Q352-T496 VanDerWaalsContact CG-CG2 3.47Å; V353-T496 CarbonylContact O-C 3.41Å; V353-T496 VanDerWaalsContact O-CA 3.28Å; V353-T496 WeakPolarHBondContact O-CA 3.33Å; V353-T496 WeakPolarHBondContact O-CG2 3.49Å; K354-T496 HydrophobicContact CB-CG2 4.39Å; S391-T496 PolarHBondContact N-O 2.69Å; S391-T496 PolarHBondContact OG-N 2.7Å; S391-T496 PolarHBondContact OG-O 2.63Å
497L97.5Very high85.8Confident0 Ų042.1 Ų42.10%026%0.256CS..EExtended strand (participates in β ladder)trans-113.4138.3168.1-66.6-178.8000109.2F335 Q352 V353 V388 R389 A390 V395 L397 F489 L491F335-L497 HydrophobicContact CZ-CB 4.19Å; Q352-L497 WeakPolarHBondContact CA-O 3.45Å; V353-L497 HydrophobicContact CG1-CB 3.8Å; V353-L497 PolarHBondContact N-O 2.97Å; V353-L497 PolarHBondContact O-N 2.83Å; V388-L497 HydrophobicContact CG2-CB 4.22Å; V388-L497 HydrophobicContact CG2-CD2 4.25Å; R389-L497 WeakPolarHBondContact O-CA 3.33Å; A390-L497 HydrophobicContact CB-CD2 3.56Å; V395-L497 HydrophobicContact CB-CD2 4.21Å; V395-L497 HydrophobicContact CG1-CD2 3.88Å; V395-L497 HydrophobicContact CG1-CG 4.41Å; V395-L497 HydrophobicContact CG2-CD2 4.37Å; L397-L497 HydrophobicContact CD2-CD1 4.11Å; L397-L497 HydrophobicContact CD2-CD2 4.45Å; F489-L497 HydrophobicContact CB-CD1 3.83Å; F489-L497 HydrophobicContact CD1-CD1 3.94Å; F489-L497 HydrophobicContact CG-CD1 4.18Å; L491-L497 HydrophobicContact CB-CD1 4.47Å; L491-L497 HydrophobicContact CB-CG 4.46Å; L491-L497 HydrophobicContact CD2-CD1 4.12Å; L491-L497 HydrophobicContact CD2-CG 4.48Å
498T97.7Very high83.1Confident26 Ų2645.8 Ų45.816%0.1628%0.28CS..EExtended strand (participates in β ladder)trans-126.7119.7176.1-51.50000109.2Q351 Q352 V388 R389 C500Q351-T498 WeakPolarHBondContact O-CA 3.42Å; Q352-T498 HydrophobicContact CB-CG2 4.35Å; Q352-T498 PolarHBondContact NE2-OG1 3.41Å; V388-T498 WeakPolarHBondContact CA-O 3.2Å; R389-T498 PolarHBondContact N-O 3.35Å; R389-T498 PolarHBondContact O-N 3.19Å; T498-C500 PolarHBondContact O-N 3.07Å
499L97.5Very high80.1Confident2 Ų252 Ų521%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-72124.1170.2-67.4164000108.3L333 F335 Q351 V388 F489L333-L499 HydrophobicContact CB-CD1 3.96Å; L333-L499 HydrophobicContact CB-CD2 4.33Å; L333-L499 WeakPolarHBondContact O-CD1 3.41Å; F335-L499 HydrophobicContact CD1-CD1 4.07Å; F335-L499 HydrophobicContact CD2-CD1 3.89Å; F335-L499 HydrophobicContact CD2-CG 4.5Å; F335-L499 HydrophobicContact CE1-CD1 3.89Å; F335-L499 HydrophobicContact CE1-CG 4.23Å; F335-L499 HydrophobicContact CE2-CD1 3.7Å; F335-L499 HydrophobicContact CE2-CG 3.82Å; F335-L499 HydrophobicContact CG-CD1 4.07Å; F335-L499 HydrophobicContact CZ-CD1 3.7Å; F335-L499 HydrophobicContact CZ-CD2 4.37Å; F335-L499 HydrophobicContact CZ-CG 3.66Å; Q351-L499 PolarHBondContact O-N 2.87Å; V388-L499 HydrophobicContact CB-CD2 4.44Å; V388-L499 HydrophobicContact CG2-CD2 4.44Å; F489-L499 HydrophobicContact CE2-CD2 4.49Å; F489-L499 HydrophobicContact CZ-CD2 4.04Å
500C94.8Very high77.1Confident30 Ų3054.7 Ų54.720%0.20335%0.348CS..  trans-80.6140.1178.5-63.30000109.4Y330 E387 T498Y330-C500 VanDerWaalsContact OH-C 3.28Å; Y330-C500 WeakPolarHBondContact OH-CB 3.32Å; Y330-C500 PolarHBondContact OH-O 2.86Å; E387-C500 HydrophobicContact CB-CB 3.96Å; E387-C500 PolarHBondContact O-N 3.33Å; T498-C500 PolarHBondContact O-N 3.07Å
501H91.7Very high74.1Confident66 Ų6660.1 Ų60.131%0.30639%0.385SS..  trans-115.8144.2177.6-78.1-159.4000110.2N332 L333 Q351N332-H501 HydrophobicContact CB-CB 4.5Å; N332-H501 WeakPolarHBondContact OD1-CA 3.45Å; L333-H501 PolarHBondContact O-NE2 2.82Å; Q351-H501 VanDerWaalsContact CD-CE1 3.45Å; Q351-H501 PolarHBondContact NE2-CE1 2.94Å; Q351-H501 VanDerWaalsContact NE2-CE1 3.29Å; Q351-H501 PolarHBondContact NE2-ND1 3.48Å
502Q82.7Confident71Confident46 Ų4669.3 Ų69.322%0.21543%0.428CS..  trans-112.9134.4170.4-73.1-161.7-11.800111.5W327 Y330 N332 G504 A505W327-Q502 VanDerWaalsContact CD2-NE2 3.33Å; W327-Q502 VanDerWaalsContact CZ2-NE2 3.35Å; W327-Q502 VanDerWaalsContact NE1-NE2 3.19Å; Y330-Q502 HydrophobicContact CD1-CB 4.02Å; Y330-Q502 HydrophobicContact CD1-CG 4.14Å; Y330-Q502 HydrophobicContact CD2-CG 4.13Å; Y330-Q502 HydrophobicContact CE1-CB 4.08Å; Y330-Q502 HydrophobicContact CE1-CG 3.92Å; Y330-Q502 HydrophobicContact CE2-CG 3.9Å; Y330-Q502 HydrophobicContact CG-CB 4.37Å; Y330-Q502 HydrophobicContact CG-CG 4.25Å; N332-Q502 PolarHBondContact ND2-O 3.39Å; N332-Q502 PolarHBondContact OD1-N 3.09Å; Q502-G504 PolarHBondContact O-N 3.39Å; Q502-A505 PolarHBondContact O-N 3.41Å
503P64Low68.1Low138 Ų13875.2 Ų75.290%0.89645%0.454SS*.THydrogen-bonded Turntrans-60.5126.6171.7-18.230.2000110.4
504G58.2Low65.1Low70 Ų7074.9 Ų74.972%0.72247%0.471SS*.THydrogen-bonded Turntrans95.9-4.5176.600000116.4Q502 V506Q502-G504 PolarHBondContact O-N 3.39Å; G504-V506 PolarHBondContact O-N 2.99Å
505A61.8Low62.2Low22 Ų2278.6 Ų78.618%0.18248%0.484CS..  trans-75.485.5170.600000110.2Y330 Q502Y330-A505 HydrophobicContact CD1-CB 4.06Å; Q502-A505 PolarHBondContact O-N 3.41Å
506V49.2Very low59.5Low114 Ų11484.6 Ų84.669%0.69152%0.518SS*.PPolyproline II helixtrans-90.7140.3-179.6-1710000110.2G504G504-V506 PolarHBondContact O-N 2.99Å
507F49.3Very low56.7Low95 Ų9591.9 Ų91.942%0.41757%0.57SS.*PPolyproline II helixtrans-64.8137.1170.5-105.2-94.2000110.4Q377 F379Q377-F507 HydrophobicContact CB-CZ 3.98Å; Q377-F507 HydrophobicContact CG-CE2 3.79Å; Q377-F507 HydrophobicContact CG-CZ 3.48Å; Q377-F507 VanDerWaalsContact CG-CZ 3.48Å; F379-F507 HydrophobicContact CE1-CZ 4.22Å
508P40Very low54.6Low77 Ų7796.5 Ų96.550%0.560%0.599SS.*PPolyproline II helixtrans-59138.2159.2-1.713000108.1G510P508-G510 PolarHBondContact O-N 3.42Å
509P35.2Very low52.4Low130 Ų130100.2 Ų100.284%0.84462%0.622SS**PPolyproline II helixtrans-58.5124.9175.823.6-31000109
510G34.9Very low49.9Very low57 Ų57105.6 Ų105.659%0.58866%0.656SS**PPolyproline II helixtrans-62.8161.1174.500000111.4P508 Q512P508-G510 PolarHBondContact O-N 3.42Å; G510-Q512 PolarHBondContact O-N 3.01Å
511P34.4Very low47.2Very low131 Ų131110.1 Ų110.185%0.85168%0.683SS**PPolyproline II helixtrans-58.7124173.324.1-29.6000108.7E513P511-E513 PolarHBondContact O-N 3.03Å; P511-E513 VanDerWaalsContact O-N 3.15Å
512Q30.5Very low44.4Very low193 Ų193112.8 Ų112.890%0.90271%0.706SS**PPolyproline II helixtrans-59.3117.6171.8-72.2-177.5-14.100107.9G510 G514G510-Q512 PolarHBondContact O-N 3.01Å; Q512-G514 PolarHBondContact O-N 2.77Å
513E33.3Very low41.9Very low186 Ų186117.3 Ų117.387%0.86974%0.739SS**  trans-58.5109.9167.4-72.7-176.2154.100107.8P511 V515P511-E513 PolarHBondContact O-N 3.03Å; P511-E513 VanDerWaalsContact O-N 3.15Å; E513-V515 PolarHBondContact O-N 2.78Å
514G29.6Very low40.3Very low69 Ų69115.8 Ų115.871%0.71173%0.728SS**  trans-62.9107167.800000108.4Q512 L516Q512-G514 PolarHBondContact O-N 2.77Å; G514-L516 PolarHBondContact O-N 2.75Å
515V33Very low38.9Very low126 Ų126119.3 Ų119.376%0.76473%0.728SS**  trans-61.6103.7164.8178.20000106.8E513 S517E513-V515 PolarHBondContact O-N 2.78Å; V515-S517 PolarHBondContact O-N 2.77Å; V515-S517 VanDerWaalsContact O-N 3.13Å
516L37.7Very low37Very low174 Ų174127.4 Ų127.491%0.91177%0.774SS**  trans-65.8106.8162.2-74.8165.4000107G514G514-L516 PolarHBondContact O-N 2.75Å
517S37.3Very low35.9Very low177 Ų177128.6 Ų128.6100%1.23878%0.781SS**  trans-88.40158.1-56.20000109.4V515V515-S517 PolarHBondContact O-N 2.77Å; V515-S517 VanDerWaalsContact O-N 3.13Å

Retrieved 517 of 517 residues in 411 ms (Link to these results)

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