G4VMR9_SCHMA Loading...

Acidic leucine-rich nuclear phosphoprotein 32-related protein

AlphaFold DB , UniProt , Accession G4VMR9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 299 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
1M54.3Low86.5Confident222 Ų22288.6 Ų88.6100%1.09444%0.436SS*.  0112.60-77.2172.6-16900106.4Y3M1-Y3 PolarHBondContact O-N 3.33Å
2T70.1Confident87.2Confident149 Ų14989.9 Ų89.991%0.91445%0.445SS*.PPolyproline II helixtrans-67.4122.4170.6-50.10000106.9
3Y77Confident87.7Confident153 Ų15386.5 Ų86.560%0.643%0.427SS*.PPolyproline II helixtrans-75.2140.9175.1-65.6-77.2000109.5M1 K31M1-Y3 PolarHBondContact O-N 3.33Å; Y3-K31 VanDerWaalsContact CB-CG 3.44Å; Y3-K31 HydrophobicContact CD1-CD 4.18Å; Y3-K31 HydrophobicContact CD1-CG 3.75Å; Y3-K31 HydrophobicContact CD2-CG 4.31Å; Y3-K31 VanDerWaalsContact CE1-CE 3.4Å; Y3-K31 HydrophobicContact CG-CD 4.33Å; Y3-K31 HydrophobicContact CG-CG 3.58Å
4M90.3Very high88.1Confident54 Ų5486.2 Ų86.227%0.26642%0.419SS..PPolyproline II helixtrans-81.3131.6170.9-167.1177.6-167.100108.6Q8 R9 L12 S30 K31M4-Q8 HydrophobicContact CE-CB 3.92Å; M4-Q8 WeakPolarHBondContact CE-O 3.19Å; M4-Q8 HydrophobicContact CG-CB 3.66Å; M4-R9 HydrophobicContact CE-CB 4.39Å; M4-R9 HydrophobicContact CG-CB 4.46Å; M4-R9 HydrophobicContact SD-CB 4.09Å; M4-L12 HydrophobicContact CE-CB 3.58Å; M4-L12 HydrophobicContact CE-CD1 3.58Å; M4-L12 HydrophobicContact CE-CG 4.14Å; M4-S30 CarbonylContact O-C 3.4Å; M4-S30 WeakPolarHBondContact O-CA 3.33Å; M4-K31 PolarHBondContact O-N 3.34Å
5T94.3Very high88.4Confident54 Ų5483.7 Ų83.733%0.33143%0.425SS..BIsolated β-bridgetrans-69.8158.2175700000110.3L7 Q8 R9T5-L7 VanDerWaalsContact C-N 3.25Å; T5-L7 PolarHBondContact O-N 3.17Å; T5-Q8 PolarHBondContact O-N 3.02Å; T5-Q8 WeakPolarHBondContact OG1-CB 3.19Å; T5-Q8 VanDerWaalsContact OG1-CG 3.23Å; T5-Q8 WeakPolarHBondContact OG1-CG 3.42Å; T5-Q8 PolarHBondContact OG1-N 3.04Å; T5-R9 PolarHBondContact O-N 2.82Å
6L93.6Very high88.7Confident0 Ų091.9 Ų91.90%046%0.456CS..Hα-helixtrans-57.9-41.4176.7-172.965.9000111.4R9 I10 L27 K31 E36 V53L6-R9 PolarHBondContact O-N 3.32Å; L6-I10 HydrophobicContact CG-CD1 4.25Å; L6-I10 VanDerWaalsContact O-CG1 3.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.29Å; L6-I10 PolarHBondContact O-N 2.9Å; L6-L27 HydrophobicContact CD1-CB 3.73Å; L6-L27 HydrophobicContact CD1-CD1 3.78Å; L6-L27 HydrophobicContact CD1-CG 4.31Å; L6-L27 HydrophobicContact CG-CD1 4.5Å; L6-K31 PolarHBondContact N-O 3.41Å; L6-E36 HydrophobicContact CB-CG 4.15Å; L6-E36 HydrophobicContact CD2-CG 4.23Å; L6-V53 HydrophobicContact CD1-CG1 4.06Å; L6-V53 HydrophobicContact CD1-CG2 4.37Å
7L93.4Very high89Confident78 Ų7893.5 Ų93.541%0.40846%0.456SS..Hα-helixtrans-60.6-46.5176.1-173.168.5000112.4T5 R9 I10 E11T5-L7 VanDerWaalsContact C-N 3.25Å; T5-L7 PolarHBondContact O-N 3.17Å; L7-R9 VanDerWaalsContact C-N 3.26Å; L7-R9 PolarHBondContact O-N 3.23Å; L7-I10 PolarHBondContact O-N 3.41Å; L7-E11 WeakPolarHBondContact O-CG 3.49Å; L7-E11 PolarHBondContact O-N 3.32Å
8Q94.3Very high89.3Confident92 Ų9295.6 Ų95.643%0.4347%0.465SS..Hα-helixtrans-60.7-40176.4-73170.4-19.600110.8M4 T5 E11 L12M4-Q8 HydrophobicContact CE-CB 3.92Å; M4-Q8 WeakPolarHBondContact CE-O 3.19Å; M4-Q8 HydrophobicContact CG-CB 3.66Å; T5-Q8 PolarHBondContact O-N 3.02Å; T5-Q8 WeakPolarHBondContact OG1-CB 3.19Å; T5-Q8 VanDerWaalsContact OG1-CG 3.23Å; T5-Q8 WeakPolarHBondContact OG1-CG 3.42Å; T5-Q8 PolarHBondContact OG1-N 3.04Å; Q8-E11 PolarHBondContact O-N 3.25Å; Q8-L12 PolarHBondContact O-N 3.18Å
9R95.3Very high89.6Confident66 Ų6690.9 Ų90.925%0.24944%0.443CS..Hα-helixtrans-64.4-42.9178.7-173.264.5-178.2-151.76.4111.7M4 T5 L6 L7 E11 L12 E13 N26 L27 S30M4-R9 HydrophobicContact CE-CB 4.39Å; M4-R9 HydrophobicContact CG-CB 4.46Å; M4-R9 HydrophobicContact SD-CB 4.09Å; T5-R9 PolarHBondContact O-N 2.82Å; L6-R9 PolarHBondContact O-N 3.32Å; L7-R9 VanDerWaalsContact C-N 3.26Å; L7-R9 PolarHBondContact O-N 3.23Å; R9-E11 VanDerWaalsContact C-N 3.32Å; R9-E11 PolarHBondContact O-N 3.17Å; R9-L12 PolarHBondContact O-N 2.64Å; R9-E13 HydrophobicContact CG-CG 4.29Å; R9-E13 IonicContact CZ-OE1 3.01Å; R9-E13 IonicContact NE-OE1 3.16Å; R9-E13 PolarHBondContact NE-OE1 3.39Å; R9-E13 IonicContact NH2-OE1 3.87Å; R9-E13 PolarHBondContact NH2-OE1 3.33Å; R9-E13 WeakPolarHBondContact O-CG 3.09Å; R9-E13 PolarHBondContact O-N 3.38Å; R9-N26 PolarHBondContact NE-O 2.71Å; R9-L27 HydrophobicContact CB-CD2 4.34Å; R9-L27 HydrophobicContact CG-CB 4.37Å; R9-L27 HydrophobicContact CG-CD2 3.85Å; R9-S30 WeakPolarHBondContact CB-OG 3.27Å; R9-S30 VanDerWaalsContact CG-OG 3.3Å; R9-S30 WeakPolarHBondContact CG-OG 3.37Å
10I95.1Very high89.8Confident3 Ų387.6 Ų87.62%0.01543%0.433CS..Hα-helixtrans-57.7-46174.9-69.8166.1000110.8L6 L7 L12 E13 R14 L27 E36 L38 Y42L6-I10 HydrophobicContact CG-CD1 4.25Å; L6-I10 VanDerWaalsContact O-CG1 3.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.29Å; L6-I10 PolarHBondContact O-N 2.9Å; L7-I10 PolarHBondContact O-N 3.41Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 3.25Å; I10-E13 PolarHBondContact O-N 2.79Å; I10-R14 WeakPolarHBondContact O-CB 3.27Å; I10-R14 PolarHBondContact O-N 2.7Å; I10-L27 HydrophobicContact CB-CD2 4.39Å; I10-L27 HydrophobicContact CD1-CD1 4.08Å; I10-L27 HydrophobicContact CG1-CD1 3.65Å; I10-L27 HydrophobicContact CG1-CD2 3.58Å; I10-L27 HydrophobicContact CG1-CG 4.28Å; I10-E36 WeakPolarHBondContact CD1-O 3.36Å; I10-L38 HydrophobicContact CD1-CD2 3.89Å; I10-L38 HydrophobicContact CD1-CG 4.03Å; I10-L38 HydrophobicContact CG1-CD2 4.32Å; I10-Y42 WeakPolarHBondContact CG2-OH 3.15Å
11E94.2Very high90Very high104 Ų10489.6 Ų89.649%0.48644%0.441SS..Hα-helixtrans-61.3-39.6178.1-70.7178.2167.300112.5L7 Q8 R9 G15L7-E11 WeakPolarHBondContact O-CG 3.49Å; L7-E11 PolarHBondContact O-N 3.32Å; Q8-E11 PolarHBondContact O-N 3.25Å; R9-E11 VanDerWaalsContact C-N 3.32Å; R9-E11 PolarHBondContact O-N 3.17Å; E11-G15 PolarHBondContact O-N 3.36Å; E11-G15 VanDerWaalsContact O-N 3.09Å
12L94.4Very high92Very high104 Ų10479.1 Ų79.155%0.54539%0.389SS..Hα-helixtrans-67.6-46.5178.1-177.2143.4000112.4M4 Q8 R9 I10 G15M4-L12 HydrophobicContact CE-CB 3.58Å; M4-L12 HydrophobicContact CE-CD1 3.58Å; M4-L12 HydrophobicContact CE-CG 4.14Å; Q8-L12 PolarHBondContact O-N 3.18Å; R9-L12 PolarHBondContact O-N 2.64Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 3.25Å; L12-G15 PolarHBondContact O-N 2.96Å
13E94Very high93.3Very high46 Ų4675.4 Ų75.422%0.21537%0.367CS..Hα-helixtrans-70.4-36.7-179.3-68.9-65.4155.900112.6R9 I10 R17 L25 N26 L27R9-E13 HydrophobicContact CG-CG 4.29Å; R9-E13 IonicContact CZ-OE1 3.01Å; R9-E13 IonicContact NE-OE1 3.16Å; R9-E13 PolarHBondContact NE-OE1 3.39Å; R9-E13 IonicContact NH2-OE1 3.87Å; R9-E13 PolarHBondContact NH2-OE1 3.33Å; R9-E13 WeakPolarHBondContact O-CG 3.09Å; R9-E13 PolarHBondContact O-N 3.38Å; I10-E13 PolarHBondContact O-N 2.79Å; E13-R17 PolarHBondContact O-NH2 2.91Å; E13-L25 HydrophobicContact CB-CD1 3.53Å; E13-L25 HydrophobicContact CG-CD1 4.34Å; E13-N26 VanDerWaalsContact CD-O 3.31Å; E13-N26 VanDerWaalsContact CG-O 3.23Å; E13-N26 WeakPolarHBondContact CG-O 3.4Å; E13-L27 HydrophobicContact CG-CD2 4.27Å
14R93.2Very high94.2Very high82 Ų8273.2 Ų73.231%0.30936%0.362SS..Hα-helixtrans-65.2-43.1174.5177.5176.470.9-173.7-1.6111.2I10 K16 R17 I22I10-R14 WeakPolarHBondContact O-CB 3.27Å; I10-R14 PolarHBondContact O-N 2.7Å; R14-K16 PolarHBondContact O-N 3.08Å; R14-R17 WeakPolarHBondContact CD-O 3.32Å; R14-R17 WeakPolarHBondContact CG-O 3.46Å; R14-R17 WeakPolarHBondContact O-CB 3.41Å; R14-R17 PolarHBondContact O-N 3.11Å; R14-R17 VanDerWaalsContact O-N 3.11Å; R14-I22 HydrophobicContact CB-CD1 3.86Å; R14-I22 HydrophobicContact CG-CD1 3.78Å
15G92.5Very high94.5Very high49 Ų4970.9 Ų70.951%0.50535%0.35SS..THydrogen-bonded Turntrans57.4-120.6-174.500000111.2E11 L12E11-G15 PolarHBondContact O-N 3.36Å; E11-G15 VanDerWaalsContact O-N 3.09Å; L12-G15 PolarHBondContact O-N 2.96Å
16K92.6Very high94.6Very high214 Ų21471.4 Ų71.493%0.9335%0.351SS*.THydrogen-bonded Turntrans-98.20.3179-62.9-178.6-178.3175.50114.2R14R14-K16 PolarHBondContact O-N 3.08Å
17R94.8Very high94.7Very high120 Ų12071.4 Ų71.445%0.45335%0.351SS..SBendtrans-75.8148.7-179.5-65.5179-72.2-172.4-0.3110.1E13 R14 I22E13-R17 PolarHBondContact O-NH2 2.91Å; R14-R17 WeakPolarHBondContact CD-O 3.32Å; R14-R17 WeakPolarHBondContact CG-O 3.46Å; R14-R17 WeakPolarHBondContact O-CB 3.41Å; R14-R17 PolarHBondContact O-N 3.11Å; R14-R17 VanDerWaalsContact O-N 3.11Å; R17-I22 HydrophobicContact CB-CG1 4.29Å
18E94Very high94.9Very high131 Ų13168.7 Ų68.761%0.61234%0.337SS*.  trans-73.7145.4169.9-67.4-62.6151.300109.5G20 E21E18-G20 PolarHBondContact O-N 2.75Å; E18-G20 VanDerWaalsContact O-N 3.08Å; E18-E21 HydrophobicContact CB-CG 4.27Å; E18-E21 PolarHBondContact N-OE2 2.76Å; E18-E21 PolarHBondContact O-N 3.28Å
19P94.2Very high94.9Very high7 Ų769.2 Ų69.25%0.04534%0.343CS..G310 helixtrans-51.7-35.5-179.7-28.435.4000113.9E21 I22 E41 Y42P19-E21 VanDerWaalsContact C-N 3.27Å; P19-E21 PolarHBondContact O-N 3.25Å; P19-I22 PolarHBondContact O-N 3.22Å; P19-E41 CarbonylContact C-O 3.56Å; P19-E41 HydrophobicContact CB-CB 3.86Å; P19-E41 HydrophobicContact CG-CB 4.43Å; P19-Y42 HydrophobicContact CB-CD1 4.04Å; P19-Y42 HydrophobicContact CB-CD2 4.19Å; P19-Y42 HydrophobicContact CB-CE1 3.95Å; P19-Y42 HydrophobicContact CB-CE2 4.1Å; P19-Y42 HydrophobicContact CB-CG 4.16Å
20G94.7Very high94.8Very high24 Ų2466.1 Ų66.125%0.24733%0.331CS..G310 helixtrans-72.4-11.2179.800000115.4E18 E41 S44E18-G20 PolarHBondContact O-N 2.75Å; E18-G20 VanDerWaalsContact O-N 3.08Å; G20-E41 WeakPolarHBondContact CA-O 3.03Å; G20-E41 PolarHBondContact N-O 3.1Å; G20-S44 WeakPolarHBondContact O-CB 3.47Å; G20-S44 PolarHBondContact O-OG 3.16Å
21E94.2Very high94.7Very high130 Ų13069.4 Ų69.461%0.60735%0.345SS*.G310 helixtrans-93.7-9.7177.6-61.9178.515100112.6E18 P19E18-E21 HydrophobicContact CB-CG 4.27Å; E18-E21 PolarHBondContact N-OE2 2.76Å; E18-E21 PolarHBondContact O-N 3.28Å; P19-E21 VanDerWaalsContact C-N 3.27Å; P19-E21 PolarHBondContact O-N 3.25Å
22I96.2Very high94.7Very high1 Ų165.5 Ų65.51%0.00533%0.33CS..  trans-84.7120.2-174.9-63174.2000109.5R14 R17 P19 E24 L25 Y42 S44 L45R14-I22 HydrophobicContact CB-CD1 3.86Å; R14-I22 HydrophobicContact CG-CD1 3.78Å; R17-I22 HydrophobicContact CB-CG1 4.29Å; P19-I22 PolarHBondContact O-N 3.22Å; I22-E24 WeakPolarHBondContact CG2-O 3.44Å; I22-L25 HydrophobicContact CG2-CB 4.34Å; I22-L25 HydrophobicContact CG2-CD1 4.33Å; I22-Y42 HydrophobicContact CB-CD1 4.43Å; I22-Y42 HydrophobicContact CD1-CD1 4.44Å; I22-Y42 HydrophobicContact CD1-CE1 3.94Å; I22-S44 CarbonylContact O-C 3.17Å; I22-S44 VanDerWaalsContact O-C 3.31Å; I22-L45 HydrophobicContact CG2-CD1 3.98Å; I22-L45 VanDerWaalsContact O-CA 3.27Å; I22-L45 WeakPolarHBondContact O-CA 3.49Å; I22-L45 PolarHBondContact O-N 2.99Å
23T96.6Very high94.7Very high71 Ų7164 Ų6444%0.43633%0.325SS..SBendtrans-96-26.3175.656.40000112.8S44 E46 V47T23-S44 WeakPolarHBondContact CA-O 3.47Å; T23-E46 PolarHBondContact O-N 2.8Å; T23-V47 PolarHBondContact O-N 3.06Å
24E97Very high94.7Very high108 Ų10865.2 Ų65.251%0.50533%0.333SS..EExtended strand (participates in β ladder)trans-137.2135.6-178-56.1-175.1-179.900110.3I22 V47I22-E24 WeakPolarHBondContact CG2-O 3.44Å; E24-V47 WeakPolarHBondContact CA-O 3.27Å; E24-V47 HydrophobicContact CB-CB 4.32Å; E24-V47 HydrophobicContact CG-CB 3.99Å; E24-V47 HydrophobicContact CG-CG2 4.14Å
25L96.4Very high94.8Very high4 Ų461.7 Ų61.72%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-137.3116.8-179.7-166.770000110.6E13 I22 L27 L38 Y42 L45 V47 L48 S49E13-L25 HydrophobicContact CB-CD1 3.53Å; E13-L25 HydrophobicContact CG-CD1 4.34Å; I22-L25 HydrophobicContact CG2-CB 4.34Å; I22-L25 HydrophobicContact CG2-CD1 4.33Å; L25-L27 HydrophobicContact CD1-CD2 4.13Å; L25-L27 HydrophobicContact CD2-CD1 3.83Å; L25-L27 HydrophobicContact CD2-CD2 3.91Å; L25-L27 HydrophobicContact CD2-CG 3.98Å; L25-L27 HydrophobicContact CG-CD1 4.31Å; L25-L27 HydrophobicContact CG-CD2 3.7Å; L25-L27 HydrophobicContact CG-CG 3.88Å; L25-L38 HydrophobicContact CD2-CD2 3.66Å; L25-Y42 HydrophobicContact CD2-CE1 4.33Å; L25-L45 HydrophobicContact CB-CD1 3.67Å; L25-V47 PolarHBondContact N-O 2.85Å; L25-L48 HydrophobicContact CB-CD1 4.09Å; L25-L48 HydrophobicContact CD2-CD1 4.1Å; L25-L48 HydrophobicContact CG-CD1 4.39Å; L25-S49 PolarHBondContact O-N 3.45Å
26N96.2Very high94.8Very high65 Ų6563.3 Ų63.335%0.34831%0.314SS..EExtended strand (participates in β ladder)trans-103108.1175.5-174.1-37.7000110.6R9 E13 D28R9-N26 PolarHBondContact NE-O 2.71Å; E13-N26 VanDerWaalsContact CD-O 3.31Å; E13-N26 VanDerWaalsContact CG-O 3.23Å; E13-N26 WeakPolarHBondContact CG-O 3.4Å; N26-D28 PolarHBondContact ND2-OD2 3.27Å; N26-D28 WeakPolarHBondContact OD1-CB 3.21Å; N26-D28 PolarHBondContact OD1-N 2.93Å; N26-D28 PolarHBondContact OD1-OD2 3.49Å; N26-D28 VanDerWaalsContact OD1-OD2 3.05Å
27L96.1Very high94.8Very high0 Ų054.7 Ų54.70%029%0.286CS..  trans-108.718.9180-53.5-178.2000112.8L6 R9 I10 E13 L25 S30 L38 L48 S49 M50 V53L6-L27 HydrophobicContact CD1-CB 3.73Å; L6-L27 HydrophobicContact CD1-CD1 3.78Å; L6-L27 HydrophobicContact CD1-CG 4.31Å; L6-L27 HydrophobicContact CG-CD1 4.5Å; R9-L27 HydrophobicContact CB-CD2 4.34Å; R9-L27 HydrophobicContact CG-CB 4.37Å; R9-L27 HydrophobicContact CG-CD2 3.85Å; I10-L27 HydrophobicContact CB-CD2 4.39Å; I10-L27 HydrophobicContact CD1-CD1 4.08Å; I10-L27 HydrophobicContact CG1-CD1 3.65Å; I10-L27 HydrophobicContact CG1-CD2 3.58Å; I10-L27 HydrophobicContact CG1-CG 4.28Å; E13-L27 HydrophobicContact CG-CD2 4.27Å; L25-L27 HydrophobicContact CD1-CD2 4.13Å; L25-L27 HydrophobicContact CD2-CD1 3.83Å; L25-L27 HydrophobicContact CD2-CD2 3.91Å; L25-L27 HydrophobicContact CD2-CG 3.98Å; L25-L27 HydrophobicContact CG-CD1 4.31Å; L25-L27 HydrophobicContact CG-CD2 3.7Å; L25-L27 HydrophobicContact CG-CG 3.88Å; L27-S30 WeakPolarHBondContact O-CB 3.44Å; L27-S30 PolarHBondContact O-OG 3.29Å; L27-L38 HydrophobicContact CD1-CD1 4.49Å; L27-L38 HydrophobicContact CD1-CD2 4.3Å; L27-L48 HydrophobicContact CD1-CD1 4.01Å; L27-L48 HydrophobicContact CG-CD1 4.34Å; L27-S49 WeakPolarHBondContact CA-O 3.28Å; L27-S49 WeakPolarHBondContact CB-O 3.48Å; L27-S49 PolarHBondContact N-O 2.91Å; L27-M50 HydrophobicContact CB-CG 4.02Å; L27-M50 HydrophobicContact CD1-CG 4.1Å; L27-M50 HydrophobicContact CD1-SD 4.29Å; L27-M50 HydrophobicContact CG-CG 4.49Å; L27-V53 WeakPolarHBondContact O-CG2 3.24Å
28D96.1Very high94.8Very high22 Ų2249.7 Ų49.712%0.11827%0.268CS..THydrogen-bonded Turntrans-60.9151-173.9-59.2-21.5000112.1N26 S30 S49 M50 M51N26-D28 PolarHBondContact ND2-OD2 3.27Å; N26-D28 WeakPolarHBondContact OD1-CB 3.21Å; N26-D28 PolarHBondContact OD1-N 2.93Å; N26-D28 PolarHBondContact OD1-OD2 3.49Å; N26-D28 VanDerWaalsContact OD1-OD2 3.05Å; D28-S30 PolarHBondContact O-N 3.3Å; D28-S30 VanDerWaalsContact O-N 3.1Å; D28-S49 VanDerWaalsContact CG-OG 3.29Å; D28-S49 VanDerWaalsContact OD1-C 3.3Å; D28-S49 VanDerWaalsContact OD1-CB 3.3Å; D28-S49 WeakPolarHBondContact OD1-CB 3.43Å; D28-S49 PolarHBondContact OD1-OG 3.49Å; D28-S49 PolarHBondContact OD2-OG 2.82Å; D28-M50 PolarHBondContact OD1-N 3.21Å; D28-M51 CarbonylContact C-O 3.54Å; D28-M51 VanDerWaalsContact CA-O 3.3Å; D28-M51 WeakPolarHBondContact CA-O 3.11Å; D28-M51 HydrophobicContact CB-CB 4.14Å; D28-M51 VanDerWaalsContact OD1-CB 3.3Å; D28-M51 WeakPolarHBondContact OD1-CB 3.49Å; D28-M51 PolarHBondContact OD1-N 3.12Å
29N94.5Very high94.8Very high102 Ų10245.9 Ų45.955%0.54525%0.254SS..THydrogen-bonded Turntrans59.319.7176.5-54.5-72.1000114.9M51 N52N29-M51 PolarHBondContact N-O 3.14Å; N29-N52 PolarHBondContact OD1-ND2 3.43Å
30S94.2Very high94.9Very high1 Ų151 Ų511%0.00728%0.281CS..  trans-78.2-179.2168.3-52.50000111.2M4 R9 L27 D28 V53M4-S30 CarbonylContact O-C 3.4Å; M4-S30 WeakPolarHBondContact O-CA 3.33Å; R9-S30 WeakPolarHBondContact CB-OG 3.27Å; R9-S30 VanDerWaalsContact CG-OG 3.3Å; R9-S30 WeakPolarHBondContact CG-OG 3.37Å; L27-S30 WeakPolarHBondContact O-CB 3.44Å; L27-S30 PolarHBondContact O-OG 3.29Å; D28-S30 PolarHBondContact O-N 3.3Å; D28-S30 VanDerWaalsContact O-N 3.1Å; S30-V53 VanDerWaalsContact O-CA 3.31Å; S30-V53 WeakPolarHBondContact O-CA 3.28Å
31K93.4Very high94.9Very high72 Ų7255.4 Ų55.431%0.31330%0.295SS..BIsolated β-bridgetrans-126.2121.1169.2-66.9-64.6169.5-1510111.8Y3 M4 L6 V53Y3-K31 VanDerWaalsContact CB-CG 3.44Å; Y3-K31 HydrophobicContact CD1-CD 4.18Å; Y3-K31 HydrophobicContact CD1-CG 3.75Å; Y3-K31 HydrophobicContact CD2-CG 4.31Å; Y3-K31 VanDerWaalsContact CE1-CE 3.4Å; Y3-K31 HydrophobicContact CG-CD 4.33Å; Y3-K31 HydrophobicContact CG-CG 3.58Å; M4-K31 PolarHBondContact O-N 3.34Å; L6-K31 PolarHBondContact N-O 3.41Å; K31-V53 WeakPolarHBondContact CA-O 3.41Å
32S93.7Very high95Very high23 Ų2349.4 Ų49.416%0.16127%0.267CS..  trans-160.7154.5161.7-155.40000111D34 E36 V53 G54 L55S32-D34 VanDerWaalsContact CB-O 3.3Å; S32-D34 WeakPolarHBondContact CB-O 3.41Å; S32-D34 PolarHBondContact OG-O 3.32Å; S32-E36 PolarHBondContact OG-OE1 3.16Å; S32-V53 PolarHBondContact N-O 3.26Å; S32-V53 VanDerWaalsContact N-O 3.16Å; S32-G54 CarbonylContact O-C 3.31Å; S32-G54 VanDerWaalsContact O-C 3.22Å; S32-L55 PolarHBondContact O-N 2.76Å
33V93.7Very high94.9Very high73 Ų7353 Ų5344%0.44229%0.292SS..SBendtrans-86.3-34.6177.1176.50000111L55 Q56V33-L55 WeakPolarHBondContact O-CA 3.23Å; V33-Q56 HydrophobicContact CG1-CB 4.21Å; V33-Q56 HydrophobicContact CG1-CG 4.09Å; V33-Q56 PolarHBondContact O-N 3.11Å
34D93.7Very high94.8Very high70 Ų7052 Ų5237%0.37429%0.288SS..SBendtrans-128.3169.6178.9-64.6-53.1000109.6S32 E36 L55 S57S32-D34 VanDerWaalsContact CB-O 3.3Å; S32-D34 WeakPolarHBondContact CB-O 3.41Å; S32-D34 PolarHBondContact OG-O 3.32Å; D34-E36 PolarHBondContact O-N 3.3Å; D34-L55 VanDerWaalsContact C-CD2 3.49Å; D34-L55 WeakPolarHBondContact O-CD2 3.45Å; D34-S57 PolarHBondContact OD1-OG 3.27Å
35I95.3Very high94.9Very high9 Ų946.9 Ų46.95%0.04626%0.264CS..  trans-80.1119.9179.1-61.8166.1000108.7L38 M50 L55 L58 A59 G60 L61I35-L38 HydrophobicContact CG2-CB 4.21Å; I35-L38 HydrophobicContact CG2-CD1 3.79Å; I35-L38 HydrophobicContact CG2-CG 4.2Å; I35-M50 HydrophobicContact CD1-CE 3.87Å; I35-M50 HydrophobicContact CG1-CE 4.18Å; I35-M50 HydrophobicContact CG1-SD 4.31Å; I35-L55 HydrophobicContact CG1-CD1 4.06Å; I35-L55 HydrophobicContact CG1-CD2 4Å; I35-L58 HydrophobicContact CD1-CD2 4.11Å; I35-A59 WeakPolarHBondContact CB-O 3.23Å; I35-A59 PolarHBondContact N-O 3.23Å; I35-G60 WeakPolarHBondContact O-CA 3.37Å; I35-L61 HydrophobicContact CD1-CB 3.84Å; I35-L61 HydrophobicContact CD1-CD1 3.76Å; I35-L61 HydrophobicContact CD1-CG 4.36Å
36E93.9Very high94.9Very high83 Ų8350.2 Ų50.239%0.38828%0.28SS..  trans-129153.3178.465.8-172.9159.600110.9L6 I10 S32 D34 L38L6-E36 HydrophobicContact CB-CG 4.15Å; L6-E36 HydrophobicContact CD2-CG 4.23Å; I10-E36 WeakPolarHBondContact CD1-O 3.36Å; S32-E36 PolarHBondContact OG-OE1 3.16Å; D34-E36 PolarHBondContact O-N 3.3Å; E36-L38 PolarHBondContact O-N 3.41Å
37G92.1Very high95Very high32 Ų3247.6 Ų47.633%0.3327%0.266SS..SBendtrans79.3-13.6176.800000116.1
38L94.9Very high95.1Very high15 Ų1547.6 Ų47.68%0.07927%0.266CS..  trans-83.1135.3169.9-63.9-178.3000110.8I10 L25 L27 I35 E36 Y42 L48 M50 P62I10-L38 HydrophobicContact CD1-CD2 3.89Å; I10-L38 HydrophobicContact CD1-CG 4.03Å; I10-L38 HydrophobicContact CG1-CD2 4.32Å; L25-L38 HydrophobicContact CD2-CD2 3.66Å; L27-L38 HydrophobicContact CD1-CD1 4.49Å; L27-L38 HydrophobicContact CD1-CD2 4.3Å; I35-L38 HydrophobicContact CG2-CB 4.21Å; I35-L38 HydrophobicContact CG2-CD1 3.79Å; I35-L38 HydrophobicContact CG2-CG 4.2Å; E36-L38 PolarHBondContact O-N 3.41Å; L38-Y42 HydrophobicContact CD2-CD2 4.35Å; L38-Y42 HydrophobicContact CD2-CE2 4.1Å; L38-L48 HydrophobicContact CD1-CD1 4.38Å; L38-L48 HydrophobicContact CD1-CD2 3.81Å; L38-M50 HydrophobicContact CD1-SD 4.31Å; L38-P62 HydrophobicContact CB-CG 3.87Å
39T95Very high95.2Very high51 Ų5146.9 Ų46.931%0.31326%0.263SS..  trans-125.9173.3177.861.90000110.4E41 Y42 P62T39-E41 PolarHBondContact O-N 3.04Å; T39-E41 WeakPolarHBondContact OG1-CB 3.22Å; T39-E41 PolarHBondContact OG1-N 3.14Å; T39-Y42 WeakPolarHBondContact O-CD2 3.19Å; T39-P62 WeakPolarHBondContact O-CG 3.5Å
40D94.4Very high95.3Very high114 Ų11442.1 Ų42.161%0.6124%0.237SC*.THydrogen-bonded Turntrans-73.1-3.5171.756.4-17.7000113.3Y42D40-Y42 PolarHBondContact O-N 3.24Å
41E95.5Very high95.4Very high118 Ų11844.8 Ų44.855%0.55125%0.25SS*.THydrogen-bonded Turntrans-69.6-21.5175.1-59.6-179.6164.200112.9P19 G20 T39 S43P19-E41 CarbonylContact C-O 3.56Å; P19-E41 HydrophobicContact CB-CB 3.86Å; P19-E41 HydrophobicContact CG-CB 4.43Å; G20-E41 WeakPolarHBondContact CA-O 3.03Å; G20-E41 PolarHBondContact N-O 3.1Å; T39-E41 PolarHBondContact O-N 3.04Å; T39-E41 WeakPolarHBondContact OG1-CB 3.22Å; T39-E41 PolarHBondContact OG1-N 3.14Å; E41-S43 PolarHBondContact O-N 3.19Å
42Y95.9Very high95.6Very high3 Ų344.5 Ų44.51%0.01225%0.252CS..  trans-7350.8173.8-66.3-89.3000111.9I10 P19 I22 L25 L38 T39 D40 S44 L45I10-Y42 WeakPolarHBondContact CG2-OH 3.15Å; P19-Y42 HydrophobicContact CB-CD1 4.04Å; P19-Y42 HydrophobicContact CB-CD2 4.19Å; P19-Y42 HydrophobicContact CB-CE1 3.95Å; P19-Y42 HydrophobicContact CB-CE2 4.1Å; P19-Y42 HydrophobicContact CB-CG 4.16Å; I22-Y42 HydrophobicContact CB-CD1 4.43Å; I22-Y42 HydrophobicContact CD1-CD1 4.44Å; I22-Y42 HydrophobicContact CD1-CE1 3.94Å; L25-Y42 HydrophobicContact CD2-CE1 4.33Å; L38-Y42 HydrophobicContact CD2-CD2 4.35Å; L38-Y42 HydrophobicContact CD2-CE2 4.1Å; T39-Y42 WeakPolarHBondContact O-CD2 3.19Å; D40-Y42 PolarHBondContact O-N 3.24Å; Y42-S44 VanDerWaalsContact C-N 3.31Å; Y42-S44 PolarHBondContact O-N 2.76Å; Y42-L45 VanDerWaalsContact O-CB 3.29Å; Y42-L45 WeakPolarHBondContact O-CB 3.2Å; Y42-L45 PolarHBondContact O-N 2.96Å
43S94.2Very high95.7Very high76 Ų7643.5 Ų43.553%0.53125%0.245SC..THydrogen-bonded Turntrans-68.4-25.2-170.554.20000114.5E41E41-S43 PolarHBondContact O-N 3.19Å
44S95.3Very high95.8Very high52 Ų5241 Ų4136%0.36424%0.235SC..THydrogen-bonded Turntrans-951.2177.7-55.40000113.6G20 I22 T23 Y42 E46G20-S44 WeakPolarHBondContact O-CB 3.47Å; G20-S44 PolarHBondContact O-OG 3.16Å; I22-S44 CarbonylContact O-C 3.17Å; I22-S44 VanDerWaalsContact O-C 3.31Å; T23-S44 WeakPolarHBondContact CA-O 3.47Å; Y42-S44 VanDerWaalsContact C-N 3.31Å; Y42-S44 PolarHBondContact O-N 2.76Å; S44-E46 PolarHBondContact O-N 2.96Å
45L97.6Very high96Very high0 Ų037.7 Ų37.70%022%0.217CC..  trans-68.9117.9-175-171.570.7000110.4I22 L25 Y42 V47 L48 L64 G66 L67I22-L45 HydrophobicContact CG2-CD1 3.98Å; I22-L45 VanDerWaalsContact O-CA 3.27Å; I22-L45 WeakPolarHBondContact O-CA 3.49Å; I22-L45 PolarHBondContact O-N 2.99Å; L25-L45 HydrophobicContact CB-CD1 3.67Å; Y42-L45 VanDerWaalsContact O-CB 3.29Å; Y42-L45 WeakPolarHBondContact O-CB 3.2Å; Y42-L45 PolarHBondContact O-N 2.96Å; L45-V47 WeakPolarHBondContact CD1-O 3.39Å; L45-L48 HydrophobicContact CD2-CB 4.19Å; L45-L48 HydrophobicContact CD2-CD1 4.44Å; L45-L48 HydrophobicContact CD2-CD2 4.49Å; L45-L64 HydrophobicContact CD2-CD1 4.14Å; L45-G66 CarbonylContact O-C 3.13Å; L45-L67 HydrophobicContact CD2-CD1 4.3Å; L45-L67 HydrophobicContact CG-CD1 4.18Å; L45-L67 VanDerWaalsContact O-CA 3.24Å; L45-L67 WeakPolarHBondContact O-CA 3.24Å; L45-L67 PolarHBondContact O-N 3.01Å
46E97.9Very high96Very high74 Ų7442.4 Ų42.435%0.34624%0.239SC..  trans-104.9-34179-56.6-156.6159.400112.3T23 S44 K68 T69T23-E46 PolarHBondContact O-N 2.8Å; S44-E46 PolarHBondContact O-N 2.96Å; E46-K68 PolarHBondContact O-N 3.08Å; E46-K68 IonicContact OE1-NZ 2.91Å; E46-K68 PolarHBondContact OE1-NZ 3.43Å; E46-K68 IonicContact OE2-NZ 2.75Å; E46-K68 PolarHBondContact OE2-NZ 3.33Å; E46-T69 PolarHBondContact O-N 3.43Å
47V98Very high96.1Very high10 Ų1040.1 Ų40.16%0.06123%0.232CC..EExtended strand (participates in β ladder)trans-124.6124.6-179-173.80000110.4T23 E24 L25 L45 T69 L162T23-V47 PolarHBondContact O-N 3.06Å; E24-V47 WeakPolarHBondContact CA-O 3.27Å; E24-V47 HydrophobicContact CB-CB 4.32Å; E24-V47 HydrophobicContact CG-CB 3.99Å; E24-V47 HydrophobicContact CG-CG2 4.14Å; L25-V47 PolarHBondContact N-O 2.85Å; L45-V47 WeakPolarHBondContact CD1-O 3.39Å; V47-T69 HydrophobicContact CG1-CG2 4.27Å; V47-L162 HydrophobicContact CG1-CD2 3.91Å
48L97.9Very high96.3Very high0 Ų038.7 Ų38.70%022%0.216CC..EExtended strand (participates in β ladder)trans-126.9123174.9177.459.3000109.9L25 L27 L38 L45 M50 L64 L67 T69 L70 E71L25-L48 HydrophobicContact CB-CD1 4.09Å; L25-L48 HydrophobicContact CD2-CD1 4.1Å; L25-L48 HydrophobicContact CG-CD1 4.39Å; L27-L48 HydrophobicContact CD1-CD1 4.01Å; L27-L48 HydrophobicContact CG-CD1 4.34Å; L38-L48 HydrophobicContact CD1-CD1 4.38Å; L38-L48 HydrophobicContact CD1-CD2 3.81Å; L45-L48 HydrophobicContact CD2-CB 4.19Å; L45-L48 HydrophobicContact CD2-CD1 4.44Å; L45-L48 HydrophobicContact CD2-CD2 4.49Å; L48-M50 HydrophobicContact CD1-CG 4.14Å; L48-M50 HydrophobicContact CD2-CE 3.83Å; L48-M50 HydrophobicContact CD2-SD 4.3Å; L48-M50 HydrophobicContact CG-CE 4.27Å; L48-M50 HydrophobicContact CG-CG 4.27Å; L48-L64 HydrophobicContact CD2-CD1 4.25Å; L48-L67 HydrophobicContact CB-CD1 3.56Å; L48-L67 HydrophobicContact CB-CD2 4.47Å; L48-T69 PolarHBondContact N-O 2.92Å; L48-L70 HydrophobicContact CB-CD1 4.07Å; L48-L70 HydrophobicContact CD2-CD1 3.97Å; L48-L70 HydrophobicContact CG-CD1 4Å; L48-L70 WeakPolarHBondContact O-CA 3.46Å; L48-E71 PolarHBondContact O-N 2.96Å
49S98Very high96.3Very high7 Ų740.4 Ų40.45%0.04923%0.233CC..EExtended strand (participates in β ladder)trans-114.1127.5173.1-166.10000111L25 L27 D28 E71L25-S49 PolarHBondContact O-N 3.45Å; L27-S49 WeakPolarHBondContact CA-O 3.28Å; L27-S49 WeakPolarHBondContact CB-O 3.48Å; L27-S49 PolarHBondContact N-O 2.91Å; D28-S49 VanDerWaalsContact CG-OG 3.29Å; D28-S49 VanDerWaalsContact OD1-C 3.3Å; D28-S49 VanDerWaalsContact OD1-CB 3.3Å; D28-S49 WeakPolarHBondContact OD1-CB 3.43Å; D28-S49 PolarHBondContact OD1-OG 3.49Å; D28-S49 PolarHBondContact OD2-OG 2.82Å; S49-E71 WeakPolarHBondContact OG-CG 3.3Å
50M97.3Very high96.2Very high1 Ų140.3 Ų40.31%0.00524%0.242CC..  trans-134.647.4176.8-69-174.3-62.300109.7L27 D28 I35 L38 L48 V53 L55 L70 E71 L72 N75L27-M50 HydrophobicContact CB-CG 4.02Å; L27-M50 HydrophobicContact CD1-CG 4.1Å; L27-M50 HydrophobicContact CD1-SD 4.29Å; L27-M50 HydrophobicContact CG-CG 4.49Å; D28-M50 PolarHBondContact OD1-N 3.21Å; I35-M50 HydrophobicContact CD1-CE 3.87Å; I35-M50 HydrophobicContact CG1-CE 4.18Å; I35-M50 HydrophobicContact CG1-SD 4.31Å; L38-M50 HydrophobicContact CD1-SD 4.31Å; L48-M50 HydrophobicContact CD1-CG 4.14Å; L48-M50 HydrophobicContact CD2-CE 3.83Å; L48-M50 HydrophobicContact CD2-SD 4.3Å; L48-M50 HydrophobicContact CG-CE 4.27Å; L48-M50 HydrophobicContact CG-CG 4.27Å; M50-V53 HydrophobicContact CB-CG2 3.97Å; M50-V53 WeakPolarHBondContact O-CG2 3.31Å; M50-L55 HydrophobicContact CB-CD1 4.23Å; M50-L55 HydrophobicContact CE-CD1 4.09Å; M50-L55 HydrophobicContact SD-CD1 4.2Å; M50-L70 HydrophobicContact CE-CD1 4.23Å; M50-E71 PolarHBondContact N-O 3.09Å; M50-L72 HydrophobicContact CB-CD2 4.22Å; M50-L72 HydrophobicContact CE-CD2 3.6Å; M50-N75 PolarHBondContact O-ND2 2.94Å
51M96.8Very high96.3Very high58 Ų5835 Ų3529%0.28621%0.214SC..THydrogen-bonded Turntrans-69.5136.2179.7-172.5-175.3-5600111D28 N29 V53 E71 S73 N74D28-M51 CarbonylContact C-O 3.54Å; D28-M51 VanDerWaalsContact CA-O 3.3Å; D28-M51 WeakPolarHBondContact CA-O 3.11Å; D28-M51 HydrophobicContact CB-CB 4.14Å; D28-M51 VanDerWaalsContact OD1-CB 3.3Å; D28-M51 WeakPolarHBondContact OD1-CB 3.49Å; D28-M51 PolarHBondContact OD1-N 3.12Å; N29-M51 PolarHBondContact N-O 3.14Å; M51-V53 PolarHBondContact O-N 3.39Å; M51-E71 HydrophobicContact CE-CG 4.04Å; M51-S73 WeakPolarHBondContact CA-O 3.24Å; M51-S73 WeakPolarHBondContact CE-OG 3.22Å; M51-S73 WeakPolarHBondContact CG-O 3.29Å; M51-S73 WeakPolarHBondContact CG-OG 3.48Å; M51-N74 HydrophobicContact CG-CB 4.46Å
52N96.2Very high96.3Very high66 Ų6630.2 Ų30.235%0.35319%0.193SC..THydrogen-bonded Turntrans56.533.7173.6-171.635.8000114.4N29 S73 N74N29-N52 PolarHBondContact OD1-ND2 3.43Å; N52-S73 PolarHBondContact N-O 2.94Å; N52-S73 VanDerWaalsContact N-O 3.1Å; N52-N74 WeakPolarHBondContact CA-O 3.36Å; N52-N74 HydrophobicContact CB-CB 4.24Å
53V96.5Very high96.3Very high1 Ų133.7 Ų33.71%0.00622%0.217CC..SBendtrans-81.6-26.1177.5174.50000111.9L6 L27 S30 K31 S32 M50 M51 L55 N75L6-V53 HydrophobicContact CD1-CG1 4.06Å; L6-V53 HydrophobicContact CD1-CG2 4.37Å; L27-V53 WeakPolarHBondContact O-CG2 3.24Å; S30-V53 VanDerWaalsContact O-CA 3.31Å; S30-V53 WeakPolarHBondContact O-CA 3.28Å; K31-V53 WeakPolarHBondContact CA-O 3.41Å; S32-V53 PolarHBondContact N-O 3.26Å; S32-V53 VanDerWaalsContact N-O 3.16Å; M50-V53 HydrophobicContact CB-CG2 3.97Å; M50-V53 WeakPolarHBondContact O-CG2 3.31Å; M51-V53 PolarHBondContact O-N 3.39Å; V53-L55 HydrophobicContact CB-CG 4.13Å; V53-L55 HydrophobicContact CG1-CD2 4.09Å; V53-L55 HydrophobicContact CG1-CG 3.95Å; V53-N75 PolarHBondContact N-OD1 2.94Å
54G95.7Very high96.4Very high22 Ų2230.1 Ų30.123%0.22719%0.192CC..  trans92.217.2-176.100000113.8S32 Q56 N75S32-G54 CarbonylContact O-C 3.31Å; S32-G54 VanDerWaalsContact O-C 3.22Å; G54-Q56 PolarHBondContact O-N 2.79Å; G54-N75 PolarHBondContact N-OD1 2.79Å
55L97.3Very high96.3Very high0 Ų030.1 Ų30.10%020%0.195CC..  trans-59.1128.3179.6-64.8174.1000110.4S32 V33 D34 I35 M50 V53 L72 N75 L76 I77S32-L55 PolarHBondContact O-N 2.76Å; V33-L55 WeakPolarHBondContact O-CA 3.23Å; D34-L55 VanDerWaalsContact C-CD2 3.49Å; D34-L55 WeakPolarHBondContact O-CD2 3.45Å; I35-L55 HydrophobicContact CG1-CD1 4.06Å; I35-L55 HydrophobicContact CG1-CD2 4Å; M50-L55 HydrophobicContact CB-CD1 4.23Å; M50-L55 HydrophobicContact CE-CD1 4.09Å; M50-L55 HydrophobicContact SD-CD1 4.2Å; V53-L55 HydrophobicContact CB-CG 4.13Å; V53-L55 HydrophobicContact CG1-CD2 4.09Å; V53-L55 HydrophobicContact CG1-CG 3.95Å; L55-L72 HydrophobicContact CD1-CD2 4.05Å; L55-N75 HydrophobicContact CB-CB 4.2Å; L55-N75 PolarHBondContact N-OD1 3.14Å; L55-L76 CarbonylContact O-C 3.4Å; L55-L76 WeakPolarHBondContact O-CA 3.49Å; L55-L76 PolarHBondContact O-N 3.13Å; L55-I77 HydrophobicContact CB-CG1 4.42Å; L55-I77 PolarHBondContact O-N 3.43Å
56Q96.4Very high96.2Very high108 Ų10831.1 Ų31.151%0.50521%0.205SC..SBendtrans-97-22.3173.5-64.2-176.833.200111.8V33 G54 L76V33-Q56 HydrophobicContact CG1-CB 4.21Å; V33-Q56 HydrophobicContact CG1-CG 4.09Å; V33-Q56 PolarHBondContact O-N 3.11Å; G54-Q56 PolarHBondContact O-N 2.79Å; Q56-L76 HydrophobicContact CG-CB 4.06Å; Q56-L76 HydrophobicContact CG-CD1 4.29Å
57S95.3Very high96.2Very high34 Ų3427.6 Ų27.624%0.23819%0.189CC..  trans-143.7168.5-179.193.80000110.9D34 A59D34-S57 PolarHBondContact OD1-OG 3.27Å; S57-A59 VanDerWaalsContact C-N 3.31Å; S57-A59 WeakPolarHBondContact OG-CB 3.44Å; S57-A59 PolarHBondContact OG-N 2.85Å
58L96.6Very high96.2Very high2 Ų230.7 Ų30.71%0.0120%0.201CC..  trans-96.518.5170-63.2177.2000112I35 L61 L72 I77 L81 A83 L84I35-L58 HydrophobicContact CD1-CD2 4.11Å; L58-L61 WeakPolarHBondContact O-CB 3.46Å; L58-L61 PolarHBondContact O-N 3.1Å; L58-L72 HydrophobicContact CD2-CD1 3.76Å; L58-L72 HydrophobicContact CD2-CD2 4.15Å; L58-I77 HydrophobicContact CD2-CD1 3.8Å; L58-I77 HydrophobicContact CG-CD1 4.29Å; L58-L81 HydrophobicContact CD1-CD2 3.93Å; L58-A83 HydrophobicContact CB-CB 3.67Å; L58-L84 HydrophobicContact CD1-CD1 4.02Å; L58-L84 HydrophobicContact CD1-CD2 3.71Å; L58-L84 HydrophobicContact CD1-CG 3.61Å
59A94.1Very high96.2Very high51 Ų5131.2 Ų31.242%0.42120%0.204SC..THydrogen-bonded Turntrans-60.3142.1172.400000109.8I35 S57 L61I35-A59 WeakPolarHBondContact CB-O 3.23Å; I35-A59 PolarHBondContact N-O 3.23Å; S57-A59 VanDerWaalsContact C-N 3.31Å; S57-A59 WeakPolarHBondContact OG-CB 3.44Å; S57-A59 PolarHBondContact OG-N 2.85Å; A59-L61 VanDerWaalsContact C-N 3.33Å
60G93.8Very high96.2Very high50 Ų5030.9 Ų30.952%0.51520%0.202SC..THydrogen-bonded Turntrans86.3-9.6-176.300000115.3I35 P62I35-G60 WeakPolarHBondContact O-CA 3.37Å; G60-P62 VanDerWaalsContact O-CD 3.28Å; G60-P62 WeakPolarHBondContact O-CD 3.32Å
61L96.3Very high96.3Very high1 Ų131.5 Ų31.51%0.00521%0.205CC..  trans-59.6119.7175.8-168.969.9000110.7I35 L58 A59 L64 L84 K86I35-L61 HydrophobicContact CD1-CB 3.84Å; I35-L61 HydrophobicContact CD1-CD1 3.76Å; I35-L61 HydrophobicContact CD1-CG 4.36Å; L58-L61 WeakPolarHBondContact O-CB 3.46Å; L58-L61 PolarHBondContact O-N 3.1Å; A59-L61 VanDerWaalsContact C-N 3.33Å; L61-L64 HydrophobicContact CD1-CD1 4.41Å; L61-L84 HydrophobicContact CD2-CD2 4.04Å; L61-K86 WeakPolarHBondContact O-CD 3.18Å; L61-K86 PolarHBondContact O-NZ 2.97Å
62P95.4Very high96.3Very high19 Ų1928.7 Ų28.712%0.12319%0.191CC..  trans-79.7179.3178.932.8-34.5000111.9L38 T39 G60 L64L38-P62 HydrophobicContact CB-CG 3.87Å; T39-P62 WeakPolarHBondContact O-CG 3.5Å; G60-P62 VanDerWaalsContact O-CD 3.28Å; G60-P62 WeakPolarHBondContact O-CD 3.32Å; P62-L64 HydrophobicContact CG-CD1 4.27Å; P62-L64 HydrophobicContact CG-CD2 4.01Å; P62-L64 HydrophobicContact CG-CG 4Å; P62-L64 PolarHBondContact O-N 3.22Å
63C95.8Very high96.4Very high75 Ų7525.8 Ų25.851%0.50718%0.176SC..  trans-77.3105.7172.4-172.10000109.6K86C63-K86 PolarHBondContact SG-O 2.79Å
64L96.4Very high96.4Very high1 Ų129.2 Ų29.21%0.00520%0.195CC..  trans-113.882.4178.7-58.4171.4000109L45 L48 L61 P62 G66 L67 K86L45-L64 HydrophobicContact CD2-CD1 4.14Å; L48-L64 HydrophobicContact CD2-CD1 4.25Å; L61-L64 HydrophobicContact CD1-CD1 4.41Å; P62-L64 HydrophobicContact CG-CD1 4.27Å; P62-L64 HydrophobicContact CG-CD2 4.01Å; P62-L64 HydrophobicContact CG-CG 4Å; P62-L64 PolarHBondContact O-N 3.22Å; L64-G66 VanDerWaalsContact C-N 3.25Å; L64-G66 PolarHBondContact O-N 3.12Å; L64-L67 HydrophobicContact CB-CB 3.88Å; L64-L67 HydrophobicContact CB-CD2 4.46Å; L64-L67 HydrophobicContact CD1-CD2 4.19Å; L64-L67 WeakPolarHBondContact O-CB 3.45Å; L64-L67 PolarHBondContact O-N 3.04Å; L64-K86 PolarHBondContact N-O 2.9Å
65A94.1Very high96.5Very high53 Ų5328.4 Ų28.444%0.43819%0.185SC..THydrogen-bonded Turntrans-66-26.2-175.100000113.1N89A65-N89 PolarHBondContact O-ND2 3.27Å
66G95Very high96.6Very high20 Ų2032.2 Ų32.221%0.20621%0.205CC..THydrogen-bonded Turntrans-79.8-13.7177.500000114.7L45 L64 K68L45-G66 CarbonylContact O-C 3.13Å; L64-G66 VanDerWaalsContact C-N 3.25Å; L64-G66 PolarHBondContact O-N 3.12Å; G66-K68 PolarHBondContact O-N 3.19Å
67L97.9Very high96.6Very high0 Ų027 Ų270%018%0.181CC..  trans-71.2119.7-166.3-169.273.1000111.4L45 L48 L64 L70 C87 N89 I90L45-L67 HydrophobicContact CD2-CD1 4.3Å; L45-L67 HydrophobicContact CG-CD1 4.18Å; L45-L67 VanDerWaalsContact O-CA 3.24Å; L45-L67 WeakPolarHBondContact O-CA 3.24Å; L45-L67 PolarHBondContact O-N 3.01Å; L48-L67 HydrophobicContact CB-CD1 3.56Å; L48-L67 HydrophobicContact CB-CD2 4.47Å; L64-L67 HydrophobicContact CB-CB 3.88Å; L64-L67 HydrophobicContact CB-CD2 4.46Å; L64-L67 HydrophobicContact CD1-CD2 4.19Å; L64-L67 WeakPolarHBondContact O-CB 3.45Å; L64-L67 PolarHBondContact O-N 3.04Å; L67-L70 HydrophobicContact CD2-CB 4.23Å; L67-L70 HydrophobicContact CD2-CD1 4.4Å; L67-L70 HydrophobicContact CD2-CD2 4.36Å; L67-C87 HydrophobicContact CD2-CB 4.34Å; L67-N89 CarbonylContact O-C 3.54Å; L67-I90 HydrophobicContact CD2-CD1 4.35Å; L67-I90 HydrophobicContact CD2-CG1 4.32Å; L67-I90 WeakPolarHBondContact O-CA 3.4Å; L67-I90 PolarHBondContact O-N 3.17Å; L67-I90 VanDerWaalsContact O-N 3.16Å
68K97.8Very high96.7Very high75 Ų7528.8 Ų28.833%0.32619%0.193SC..  trans-106.4-38.2179.5-64.1175.7-166.8154.50112.2E46 G66 E91 Q92E46-K68 PolarHBondContact O-N 3.08Å; E46-K68 IonicContact OE1-NZ 2.91Å; E46-K68 PolarHBondContact OE1-NZ 3.43Å; E46-K68 IonicContact OE2-NZ 2.75Å; E46-K68 PolarHBondContact OE2-NZ 3.33Å; G66-K68 PolarHBondContact O-N 3.19Å; K68-E91 HydrophobicContact CB-CG 4.4Å; K68-E91 PolarHBondContact O-N 3.31Å; K68-Q92 PolarHBondContact O-N 3.06Å
69T98Very high96.7Very high11 Ų1129.7 Ų29.77%0.06720%0.202CC..EExtended strand (participates in β ladder)trans-122.2125.2-176.5-58.60000110.2E46 V47 L48 Q92E46-T69 PolarHBondContact O-N 3.43Å; V47-T69 HydrophobicContact CG1-CG2 4.27Å; L48-T69 PolarHBondContact N-O 2.92Å; T69-Q92 WeakPolarHBondContact CA-O 3.2Å; T69-Q92 HydrophobicContact CG2-CB 4.19Å
70L98.2Very high96.7Very high1 Ų129.1 Ų29.11%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-128.5114.7178.8179.755.9000110.9L48 M50 L67 L72 L84 I90 Q92 L93 N94L48-L70 HydrophobicContact CB-CD1 4.07Å; L48-L70 HydrophobicContact CD2-CD1 3.97Å; L48-L70 HydrophobicContact CG-CD1 4Å; L48-L70 WeakPolarHBondContact O-CA 3.46Å; M50-L70 HydrophobicContact CE-CD1 4.23Å; L67-L70 HydrophobicContact CD2-CB 4.23Å; L67-L70 HydrophobicContact CD2-CD1 4.4Å; L67-L70 HydrophobicContact CD2-CD2 4.36Å; L70-L72 HydrophobicContact CD1-CD1 4.39Å; L70-L72 HydrophobicContact CD1-CD2 4.23Å; L70-L72 HydrophobicContact CD1-CG 4.03Å; L70-L72 HydrophobicContact CD2-CD1 3.8Å; L70-L72 HydrophobicContact CD2-CG 4.34Å; L70-L72 HydrophobicContact CG-CD1 3.87Å; L70-L72 HydrophobicContact CG-CG 3.89Å; L70-L84 HydrophobicContact CD2-CD2 3.49Å; L70-L84 VanDerWaalsContact CD2-CD2 3.49Å; L70-I90 HydrophobicContact CB-CD1 4.5Å; L70-I90 HydrophobicContact CD2-CD1 4.03Å; L70-Q92 PolarHBondContact N-O 3.41Å; L70-L93 HydrophobicContact CB-CD1 4.11Å; L70-L93 HydrophobicContact CD2-CD1 4.02Å; L70-L93 HydrophobicContact CG-CD1 4.06Å; L70-N94 PolarHBondContact O-N 3.28Å
71E98Very high96.9Very high13 Ų1326.8 Ų26.86%0.06118%0.177CC..EExtended strand (participates in β ladder)trans-103.6114.7178.5176.458.9-106.100110.2L48 S49 M50 M51 S73 N94L48-E71 PolarHBondContact O-N 2.96Å; S49-E71 WeakPolarHBondContact OG-CG 3.3Å; M50-E71 PolarHBondContact N-O 3.09Å; M51-E71 HydrophobicContact CE-CG 4.04Å; E71-S73 WeakPolarHBondContact OE1-CA 3.34Å; E71-S73 WeakPolarHBondContact OE1-CB 3.48Å; E71-S73 PolarHBondContact OE1-N 3.2Å; E71-S73 PolarHBondContact OE1-OG 3.15Å; E71-N94 WeakPolarHBondContact OE1-CB 3.34Å; E71-N94 VanDerWaalsContact OE1-CG 3.24Å; E71-N94 PolarHBondContact OE1-ND2 3.42Å; E71-N94 WeakPolarHBondContact OE2-CB 3.4Å; E71-N94 VanDerWaalsContact OE2-CG 3.28Å; E71-N94 PolarHBondContact OE2-ND2 3.16Å
72L98Very high96.9Very high0 Ų031.5 Ų31.50%020%0.202CC..  trans-126.917.1-176.8-68166.8000112.1M50 L55 L58 L70 N75 I77 L93 N94 L95 N98M50-L72 HydrophobicContact CB-CD2 4.22Å; M50-L72 HydrophobicContact CE-CD2 3.6Å; L55-L72 HydrophobicContact CD1-CD2 4.05Å; L58-L72 HydrophobicContact CD2-CD1 3.76Å; L58-L72 HydrophobicContact CD2-CD2 4.15Å; L70-L72 HydrophobicContact CD1-CD1 4.39Å; L70-L72 HydrophobicContact CD1-CD2 4.23Å; L70-L72 HydrophobicContact CD1-CG 4.03Å; L70-L72 HydrophobicContact CD2-CD1 3.8Å; L70-L72 HydrophobicContact CD2-CG 4.34Å; L70-L72 HydrophobicContact CG-CD1 3.87Å; L70-L72 HydrophobicContact CG-CG 3.89Å; L72-N75 PolarHBondContact O-ND2 3.49Å; L72-I77 HydrophobicContact CB-CD1 4.21Å; L72-I77 HydrophobicContact CD1-CD1 4.16Å; L72-I77 HydrophobicContact CD2-CD1 4.31Å; L72-I77 HydrophobicContact CG-CD1 4.49Å; L72-L93 HydrophobicContact CD1-CD1 4.12Å; L72-N94 CarbonylContact C-O 3.38Å; L72-N94 WeakPolarHBondContact CA-O 3.22Å; L72-N94 WeakPolarHBondContact CB-O 3.43Å; L72-N94 PolarHBondContact N-O 2.86Å; L72-L95 HydrophobicContact CB-CD2 4.01Å; L72-L95 HydrophobicContact CD1-CD2 3.78Å; L72-N98 PolarHBondContact O-ND2 3.18Å
73S97.7Very high96.9Very high4 Ų431.1 Ų31.13%0.02820%0.201CC..THydrogen-bonded Turntrans-63.1155.2-177.460.30000113.2M51 N52 E71 N75 S96M51-S73 WeakPolarHBondContact CA-O 3.24Å; M51-S73 WeakPolarHBondContact CE-OG 3.22Å; M51-S73 WeakPolarHBondContact CG-O 3.29Å; M51-S73 WeakPolarHBondContact CG-OG 3.48Å; N52-S73 PolarHBondContact N-O 2.94Å; N52-S73 VanDerWaalsContact N-O 3.1Å; E71-S73 WeakPolarHBondContact OE1-CA 3.34Å; E71-S73 WeakPolarHBondContact OE1-CB 3.48Å; E71-S73 PolarHBondContact OE1-N 3.2Å; E71-S73 PolarHBondContact OE1-OG 3.15Å; S73-N75 VanDerWaalsContact C-N 3.28Å; S73-N75 PolarHBondContact O-N 2.96Å; S73-N75 PolarHBondContact O-ND2 2.96Å; S73-S96 WeakPolarHBondContact CA-O 3.29Å; S73-S96 WeakPolarHBondContact CB-O 3.35Å; S73-S96 WeakPolarHBondContact CB-OG 3.2Å
74N97.4Very high97Very high74 Ų7427.6 Ų27.640%0.39618%0.177SC..THydrogen-bonded Turntrans58.636.2179.3-56.6-61000113.9M51 N52 S96 S97M51-N74 HydrophobicContact CG-CB 4.46Å; N52-N74 WeakPolarHBondContact CA-O 3.36Å; N52-N74 HydrophobicContact CB-CB 4.24Å; N74-S96 PolarHBondContact N-O 3.19Å; N74-S96 VanDerWaalsContact N-O 3.07Å; N74-S97 WeakPolarHBondContact OD1-CB 3.19Å; N74-S97 PolarHBondContact OD1-OG 3.22Å
75N98Very high97Very high4 Ų430.4 Ų30.42%0.02119%0.192CC..SBendtrans-105.5-167.2169.2-75.3-67.1000110.9M50 V53 G54 L55 L72 S73 I77 N98M50-N75 PolarHBondContact O-ND2 2.94Å; V53-N75 PolarHBondContact N-OD1 2.94Å; G54-N75 PolarHBondContact N-OD1 2.79Å; L55-N75 HydrophobicContact CB-CB 4.2Å; L55-N75 PolarHBondContact N-OD1 3.14Å; L72-N75 PolarHBondContact O-ND2 3.49Å; S73-N75 VanDerWaalsContact C-N 3.28Å; S73-N75 PolarHBondContact O-N 2.96Å; S73-N75 PolarHBondContact O-ND2 2.96Å; N75-I77 HydrophobicContact CB-CD1 4.29Å; N75-I77 HydrophobicContact CB-CG1 4.26Å; N75-N98 WeakPolarHBondContact CA-OD1 2.97Å; N75-N98 WeakPolarHBondContact CB-OD1 3.45Å; N75-N98 PolarHBondContact O-OD1 2.94Å
76L97.7Very high97Very high80 Ų8032.6 Ų32.642%0.41919%0.192SC..  trans-118.222.9-177.9-61.7175.5000112.2L55 Q56 S78 N98 K99L55-L76 CarbonylContact O-C 3.4Å; L55-L76 WeakPolarHBondContact O-CA 3.49Å; L55-L76 PolarHBondContact O-N 3.13Å; Q56-L76 HydrophobicContact CG-CB 4.06Å; Q56-L76 HydrophobicContact CG-CD1 4.29Å; L76-S78 PolarHBondContact O-N 2.96Å; L76-N98 PolarHBondContact N-OD1 3.44Å; L76-K99 HydrophobicContact CD2-CG 4.37Å
77I97.8Very high97.1Very high0 Ų031.7 Ų31.70%018%0.182CC..  trans-67.6125-176-59164.8000109.6L55 L58 L72 N75 L81 L95 N98 K99 I100L55-I77 HydrophobicContact CB-CG1 4.42Å; L55-I77 PolarHBondContact O-N 3.43Å; L58-I77 HydrophobicContact CD2-CD1 3.8Å; L58-I77 HydrophobicContact CG-CD1 4.29Å; L72-I77 HydrophobicContact CB-CD1 4.21Å; L72-I77 HydrophobicContact CD1-CD1 4.16Å; L72-I77 HydrophobicContact CD2-CD1 4.31Å; L72-I77 HydrophobicContact CG-CD1 4.49Å; N75-I77 HydrophobicContact CB-CD1 4.29Å; N75-I77 HydrophobicContact CB-CG1 4.26Å; I77-L81 HydrophobicContact CG2-CD2 4.31Å; I77-L95 HydrophobicContact CD1-CD2 4.19Å; I77-N98 HydrophobicContact CB-CB 4.4Å; I77-N98 WeakPolarHBondContact CB-OD1 3.44Å; I77-N98 PolarHBondContact N-OD1 2.94Å; I77-N98 WeakPolarHBondContact O-CB 3.4Å; I77-K99 CarbonylContact O-C 3.28Å; I77-K99 WeakPolarHBondContact O-CA 3.44Å; I77-K99 PolarHBondContact O-N 3.2Å; I77-I100 PolarHBondContact O-N 2.8Å
78S96.9Very high97Very high70 Ų7034.4 Ų34.449%0.4920%0.2SC..  trans-114.8-14.8177.560.10000113.9L76 K99L76-S78 PolarHBondContact O-N 2.96Å; S78-K99 WeakPolarHBondContact CA-O 3.4Å; S78-K99 WeakPolarHBondContact CB-O 3.18Å
79G95.6Very high97Very high21 Ų2134.3 Ų34.322%0.21620%0.203CC..SBendtrans-170.1-163.3-174.600000113.2L81G79-L81 PolarHBondContact O-N 2.97Å
80G95.5Very high97Very high39 Ų3933.8 Ų33.840%0.40220%0.2SC..  trans72.72517600000114.9D82 A83G80-D82 VanDerWaalsContact C-OD1 3.32Å; G80-D82 WeakPolarHBondContact CA-OD1 3.13Å; G80-D82 PolarHBondContact O-N 2.69Å; G80-D82 VanDerWaalsContact O-N 3.16Å; G80-A83 WeakPolarHBondContact O-CB 3.31Å; G80-A83 PolarHBondContact O-N 2.91Å
81L97Very high96.9Very high2 Ų236.4 Ų36.41%0.0121%0.212CC..G310 helixtrans-68.8-8.5-178.7-59.2-169.2000113.4L58 I77 G79 A83 L84 L95 I100 V105 L106 L109L58-L81 HydrophobicContact CD1-CD2 3.93Å; I77-L81 HydrophobicContact CG2-CD2 4.31Å; G79-L81 PolarHBondContact O-N 2.97Å; L81-A83 PolarHBondContact O-N 2.92Å; L81-L84 HydrophobicContact CB-CD1 4.27Å; L81-L84 HydrophobicContact CD2-CD1 4.13Å; L81-L84 WeakPolarHBondContact O-CB 3.4Å; L81-L84 PolarHBondContact O-N 2.98Å; L81-L95 HydrophobicContact CD1-CD1 4.15Å; L81-L95 HydrophobicContact CD2-CD1 4.11Å; L81-I100 HydrophobicContact CD1-CD1 4.49Å; L81-V105 HydrophobicContact CD1-CG1 3.84Å; L81-V105 WeakPolarHBondContact CD1-O 3.3Å; L81-V105 HydrophobicContact CG-CG1 3.89Å; L81-L106 HydrophobicContact CD1-CD2 3.92Å; L81-L109 HydrophobicContact CB-CD2 4.16Å; L81-L109 HydrophobicContact CD1-CD1 3.98Å; L81-L109 HydrophobicContact CD1-CD2 4.19Å; L81-L109 HydrophobicContact CD1-CG 4.08Å
82D96.6Very high96.9Very high99 Ų9938.4 Ų38.453%0.52922%0.221SC..G310 helixtrans-63.8-22.4169.558.6-72.4000113.1G80 L84 L85 P108G80-D82 VanDerWaalsContact C-OD1 3.32Å; G80-D82 WeakPolarHBondContact CA-OD1 3.13Å; G80-D82 PolarHBondContact O-N 2.69Å; G80-D82 VanDerWaalsContact O-N 3.16Å; D82-L84 PolarHBondContact O-N 3.1Å; D82-L85 HydrophobicContact CB-CD1 4.43Å; D82-L85 VanDerWaalsContact O-CB 3.27Å; D82-L85 WeakPolarHBondContact O-CB 3.28Å; D82-L85 VanDerWaalsContact O-CG 3.24Å; D82-L85 WeakPolarHBondContact O-CG 3.23Å; D82-L85 PolarHBondContact O-N 3.2Å; D82-L85 VanDerWaalsContact O-N 3.12Å; D82-P108 HydrophobicContact CB-CB 4.13Å; D82-P108 HydrophobicContact CB-CG 4.19Å
83A96.6Very high96.9Very high12 Ų1238.6 Ų38.610%0.09922%0.222CC..G310 helixtrans-60.4-30.1172.600000112.6L58 G80 L81 L85 K86L58-A83 HydrophobicContact CB-CB 3.67Å; G80-A83 WeakPolarHBondContact O-CB 3.31Å; G80-A83 PolarHBondContact O-N 2.91Å; L81-A83 PolarHBondContact O-N 2.92Å; A83-L85 PolarHBondContact O-N 2.95Å; A83-K86 WeakPolarHBondContact O-CB 3.49Å; A83-K86 WeakPolarHBondContact O-CG 3.21Å; A83-K86 PolarHBondContact O-N 2.79Å
84L97.1Very high96.9Very high0 Ų039.9 Ų39.90%023%0.229CC..G310 helixtrans-66.6-17.8178.6-62.3169.9000112.8L58 L61 L70 L81 D82 K86 C87 I90 L93 L109 L112L58-L84 HydrophobicContact CD1-CD1 4.02Å; L58-L84 HydrophobicContact CD1-CD2 3.71Å; L58-L84 HydrophobicContact CD1-CG 3.61Å; L61-L84 HydrophobicContact CD2-CD2 4.04Å; L70-L84 HydrophobicContact CD2-CD2 3.49Å; L70-L84 VanDerWaalsContact CD2-CD2 3.49Å; L81-L84 HydrophobicContact CB-CD1 4.27Å; L81-L84 HydrophobicContact CD2-CD1 4.13Å; L81-L84 WeakPolarHBondContact O-CB 3.4Å; L81-L84 PolarHBondContact O-N 2.98Å; D82-L84 PolarHBondContact O-N 3.1Å; L84-K86 PolarHBondContact O-N 2.8Å; L84-K86 VanDerWaalsContact O-N 3.1Å; L84-C87 CarbonylContact O-C 3.55Å; L84-C87 PolarHBondContact O-N 3.16Å; L84-I90 HydrophobicContact CD2-CD1 4.09Å; L84-L93 HydrophobicContact CD1-CD1 4.45Å; L84-L93 HydrophobicContact CD1-CD2 3.64Å; L84-L109 HydrophobicContact CD1-CD2 3.59Å; L84-L112 HydrophobicContact CB-CD1 4.22Å
85L95.9Very high97Very high61 Ų6136.3 Ų36.332%0.31921%0.21SC..G310 helixtrans-64.5-14.1175.9-57.8-179.7000113.2D82 A83 P108 K111 L112D82-L85 HydrophobicContact CB-CD1 4.43Å; D82-L85 VanDerWaalsContact O-CB 3.27Å; D82-L85 WeakPolarHBondContact O-CB 3.28Å; D82-L85 VanDerWaalsContact O-CG 3.24Å; D82-L85 WeakPolarHBondContact O-CG 3.23Å; D82-L85 PolarHBondContact O-N 3.2Å; D82-L85 VanDerWaalsContact O-N 3.12Å; A83-L85 PolarHBondContact O-N 2.95Å; L85-P108 WeakPolarHBondContact CD2-O 3.11Å; L85-K111 HydrophobicContact CD1-CD 3.86Å; L85-K111 HydrophobicContact CD2-CB 3.66Å; L85-K111 HydrophobicContact CD2-CD 4.17Å; L85-L112 HydrophobicContact CD2-CD2 4.02Å; L85-L112 HydrophobicContact CD2-CG 4.27Å
86K95.4Very high97Very high99 Ų9937 Ų3743%0.4321%0.214SC..G310 helixtrans-74.8-13.5171.6-60176.4-173.4176.90113L61 C63 L64 A83 L84 P88L61-K86 WeakPolarHBondContact O-CD 3.18Å; L61-K86 PolarHBondContact O-NZ 2.97Å; C63-K86 PolarHBondContact SG-O 2.79Å; L64-K86 PolarHBondContact N-O 2.9Å; A83-K86 WeakPolarHBondContact O-CB 3.49Å; A83-K86 WeakPolarHBondContact O-CG 3.21Å; A83-K86 PolarHBondContact O-N 2.79Å; L84-K86 PolarHBondContact O-N 2.8Å; L84-K86 VanDerWaalsContact O-N 3.1Å; K86-P88 VanDerWaalsContact O-CD 3.32Å; K86-P88 WeakPolarHBondContact O-CD 3.38Å
87C96.8Very high97Very high0 Ų034.8 Ų34.80%021%0.206CC..  trans-118.774.8179.4-54.90000108.5L67 L84 N89 I90L67-C87 HydrophobicContact CD2-CB 4.34Å; L84-C87 CarbonylContact O-C 3.55Å; L84-C87 PolarHBondContact O-N 3.16Å; C87-N89 PolarHBondContact O-N 3.34Å; C87-N89 VanDerWaalsContact O-N 3.16Å; C87-I90 HydrophobicContact CB-CD1 3.47Å; C87-I90 VanDerWaalsContact CB-CD1 3.47Å; C87-I90 HydrophobicContact CB-CG1 3.74Å; C87-I90 WeakPolarHBondContact O-CG1 3.35Å; C87-I90 PolarHBondContact O-N 3.2Å
88P95.3Very high97Very high58 Ų5834.9 Ų34.938%0.37721%0.206SC..THydrogen-bonded Turntrans-67.7-18.3-166.726.9-36.5000114.7K86K86-P88 VanDerWaalsContact O-CD 3.32Å; K86-P88 WeakPolarHBondContact O-CD 3.38Å
89N96.9Very high97Very high73 Ų7336.6 Ų36.639%0.3921%0.205SC..THydrogen-bonded Turntrans-99.913-174.6-65.6-38.4000113.6A65 L67 C87 E91A65-N89 PolarHBondContact O-ND2 3.27Å; L67-N89 CarbonylContact O-C 3.54Å; C87-N89 PolarHBondContact O-N 3.34Å; C87-N89 VanDerWaalsContact O-N 3.16Å; N89-E91 PolarHBondContact O-N 2.98Å
90I97.9Very high97.1Very high0 Ų035.6 Ų35.60%020%0.195CC..  trans-60.6122.4175.3-68.7172.1000109L67 L70 L84 C87 L93 E114 L115L67-I90 HydrophobicContact CD2-CD1 4.35Å; L67-I90 HydrophobicContact CD2-CG1 4.32Å; L67-I90 WeakPolarHBondContact O-CA 3.4Å; L67-I90 PolarHBondContact O-N 3.17Å; L67-I90 VanDerWaalsContact O-N 3.16Å; L70-I90 HydrophobicContact CB-CD1 4.5Å; L70-I90 HydrophobicContact CD2-CD1 4.03Å; L84-I90 HydrophobicContact CD2-CD1 4.09Å; C87-I90 HydrophobicContact CB-CD1 3.47Å; C87-I90 VanDerWaalsContact CB-CD1 3.47Å; C87-I90 HydrophobicContact CB-CG1 3.74Å; C87-I90 WeakPolarHBondContact O-CG1 3.35Å; C87-I90 PolarHBondContact O-N 3.2Å; I90-L93 HydrophobicContact CG2-CB 4.18Å; I90-E114 CarbonylContact O-C 3.56Å; I90-E114 VanDerWaalsContact O-C 3.28Å; I90-L115 HydrophobicContact CG2-CD1 4Å; I90-L115 VanDerWaalsContact O-CA 3.23Å; I90-L115 WeakPolarHBondContact O-CA 3.43Å; I90-L115 PolarHBondContact O-N 2.84Å; I90-L115 VanDerWaalsContact O-N 3.14Å
91E97.9Very high97.1Very high56 Ų5640.4 Ų40.426%0.26221%0.207SC..  trans-102.5-36.5176.1-56.1-162.8-18000112.4K68 N89 E114 K116 S117K68-E91 HydrophobicContact CB-CG 4.4Å; K68-E91 PolarHBondContact O-N 3.31Å; N89-E91 PolarHBondContact O-N 2.98Å; E91-E114 WeakPolarHBondContact CA-O 3.41Å; E91-E114 HydrophobicContact CG-CB 4.36Å; E91-K116 HydrophobicContact CB-CD 4.49Å; E91-K116 PolarHBondContact O-N 2.59Å; E91-K116 IonicContact OE1-NZ 3.27Å; E91-K116 PolarHBondContact OE1-NZ 3.05Å; E91-K116 IonicContact OE2-NZ 2.71Å; E91-K116 PolarHBondContact OE2-NZ 2.92Å; E91-S117 PolarHBondContact O-N 3.31Å
92Q97.6Very high97Very high54 Ų5442.6 Ų42.625%0.25222%0.222SC..EExtended strand (participates in β ladder)trans-126.3124.1-177.7-60.4-175.813.700110K68 T69 L70K68-Q92 PolarHBondContact O-N 3.06Å; T69-Q92 WeakPolarHBondContact CA-O 3.2Å; T69-Q92 HydrophobicContact CG2-CB 4.19Å; L70-Q92 PolarHBondContact N-O 3.41Å
93L98.1Very high96.9Very high4 Ų438.6 Ų38.62%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-130114.9-179.517859.1000110.3L70 L72 L84 I90 L95 L109 L115 S117 L118 D119L70-L93 HydrophobicContact CB-CD1 4.11Å; L70-L93 HydrophobicContact CD2-CD1 4.02Å; L70-L93 HydrophobicContact CG-CD1 4.06Å; L72-L93 HydrophobicContact CD1-CD1 4.12Å; L84-L93 HydrophobicContact CD1-CD1 4.45Å; L84-L93 HydrophobicContact CD1-CD2 3.64Å; I90-L93 HydrophobicContact CG2-CB 4.18Å; L93-L95 HydrophobicContact CD1-CD1 4.39Å; L93-L95 HydrophobicContact CD1-CG 4.11Å; L93-L95 HydrophobicContact CD2-CD1 3.76Å; L93-L95 HydrophobicContact CD2-CG 4.34Å; L93-L95 HydrophobicContact CG-CD1 3.98Å; L93-L95 HydrophobicContact CG-CG 4.02Å; L93-L109 HydrophobicContact CD2-CD1 4.42Å; L93-L109 HydrophobicContact CD2-CD2 3.99Å; L93-L115 HydrophobicContact CB-CD1 3.75Å; L93-S117 PolarHBondContact N-O 3.37Å; L93-L118 HydrophobicContact CB-CD1 4.18Å; L93-L118 HydrophobicContact CD2-CD1 3.97Å; L93-L118 HydrophobicContact CG-CD1 4.01Å; L93-L118 WeakPolarHBondContact O-CA 3.45Å; L93-D119 PolarHBondContact O-N 2.8Å
94N98.1Very high96.9Very high31 Ų3143.2 Ų43.217%0.16622%0.224CC..EExtended strand (participates in β ladder)trans-103113.4173.1-168.8-13.9000110.4L70 E71 L72 S96 D119L70-N94 PolarHBondContact O-N 3.28Å; E71-N94 WeakPolarHBondContact OE1-CB 3.34Å; E71-N94 VanDerWaalsContact OE1-CG 3.24Å; E71-N94 PolarHBondContact OE1-ND2 3.42Å; E71-N94 WeakPolarHBondContact OE2-CB 3.4Å; E71-N94 VanDerWaalsContact OE2-CG 3.28Å; E71-N94 PolarHBondContact OE2-ND2 3.16Å; L72-N94 CarbonylContact C-O 3.38Å; L72-N94 WeakPolarHBondContact CA-O 3.22Å; L72-N94 WeakPolarHBondContact CB-O 3.43Å; L72-N94 PolarHBondContact N-O 2.86Å; N94-S96 WeakPolarHBondContact OD1-CB 3.3Å; N94-S96 PolarHBondContact OD1-N 3.28Å; N94-S96 PolarHBondContact OD1-OG 3.31Å; N94-D119 HydrophobicContact CB-CB 4.4Å
95L98.1Very high96.8Very high0 Ų044.8 Ų44.80%023%0.233CC..  trans-115.516.4175.8-77.3166.5000111.2L72 I77 L81 L93 N98 I100 L118 D119 L120 C123L72-L95 HydrophobicContact CB-CD2 4.01Å; L72-L95 HydrophobicContact CD1-CD2 3.78Å; I77-L95 HydrophobicContact CD1-CD2 4.19Å; L81-L95 HydrophobicContact CD1-CD1 4.15Å; L81-L95 HydrophobicContact CD2-CD1 4.11Å; L93-L95 HydrophobicContact CD1-CD1 4.39Å; L93-L95 HydrophobicContact CD1-CG 4.11Å; L93-L95 HydrophobicContact CD2-CD1 3.76Å; L93-L95 HydrophobicContact CD2-CG 4.34Å; L93-L95 HydrophobicContact CG-CD1 3.98Å; L93-L95 HydrophobicContact CG-CG 4.02Å; L95-N98 WeakPolarHBondContact O-CB 3.37Å; L95-N98 PolarHBondContact O-ND2 3.35Å; L95-I100 HydrophobicContact CB-CD1 4.09Å; L95-I100 HydrophobicContact CD1-CD1 3.94Å; L95-I100 HydrophobicContact CD2-CD1 4.48Å; L95-I100 HydrophobicContact CG-CD1 4.42Å; L95-L118 HydrophobicContact CD1-CD1 4.25Å; L95-D119 CarbonylContact C-O 3.6Å; L95-D119 WeakPolarHBondContact CA-O 3.18Å; L95-D119 PolarHBondContact N-O 2.97Å; L95-L120 HydrophobicContact CB-CD2 3.85Å; L95-L120 HydrophobicContact CD1-CD2 4.22Å; L95-C123 PolarHBondContact O-SG 3.38Å
96S97.8Very high96.8Very high17 Ų1741.9 Ų41.912%0.11922%0.218CC..THydrogen-bonded Turntrans-58.2152-178.664.60000112.7S73 N74 N94 N98 D119 G121S73-S96 WeakPolarHBondContact CA-O 3.29Å; S73-S96 WeakPolarHBondContact CB-O 3.35Å; S73-S96 WeakPolarHBondContact CB-OG 3.2Å; N74-S96 PolarHBondContact N-O 3.19Å; N74-S96 VanDerWaalsContact N-O 3.07Å; N94-S96 WeakPolarHBondContact OD1-CB 3.3Å; N94-S96 PolarHBondContact OD1-N 3.28Å; N94-S96 PolarHBondContact OD1-OG 3.31Å; S96-N98 PolarHBondContact O-N 2.97Å; S96-N98 PolarHBondContact O-ND2 3.07Å; S96-D119 PolarHBondContact N-O 2.78Å; S96-G121 CarbonylContact C-O 3.37Å; S96-G121 WeakPolarHBondContact CA-O 3.15Å; S96-G121 VanDerWaalsContact CB-O 3.28Å; S96-G121 WeakPolarHBondContact CB-O 3.3Å
97S97.7Very high96.9Very high34 Ų3441.5 Ų41.524%0.23822%0.22CC..THydrogen-bonded Turntrans55.832.7-179.2-58.60000114.6N74 G121N74-S97 WeakPolarHBondContact OD1-CB 3.19Å; N74-S97 PolarHBondContact OD1-OG 3.22Å; S97-G121 PolarHBondContact N-O 3.5Å
98N98.2Very high96.9Very high2 Ų242.7 Ų42.71%0.01123%0.227CC..SBendtrans-100.6-169.8170.6-82.3-81.5000111.9L72 N75 L76 I77 L95 S96 C123L72-N98 PolarHBondContact O-ND2 3.18Å; N75-N98 WeakPolarHBondContact CA-OD1 2.97Å; N75-N98 WeakPolarHBondContact CB-OD1 3.45Å; N75-N98 PolarHBondContact O-OD1 2.94Å; L76-N98 PolarHBondContact N-OD1 3.44Å; I77-N98 HydrophobicContact CB-CB 4.4Å; I77-N98 WeakPolarHBondContact CB-OD1 3.44Å; I77-N98 PolarHBondContact N-OD1 2.94Å; I77-N98 WeakPolarHBondContact O-CB 3.4Å; L95-N98 WeakPolarHBondContact O-CB 3.37Å; L95-N98 PolarHBondContact O-ND2 3.35Å; S96-N98 PolarHBondContact O-N 2.97Å; S96-N98 PolarHBondContact O-ND2 3.07Å; N98-C123 PolarHBondContact N-SG 2.68Å
99K97.2Very high97Very high106 Ų10640 Ų4046%0.46121%0.209SC..  trans-109.331.6-175.7-58.1-58.4-180-168.30113L76 I77 S78 E101L76-K99 HydrophobicContact CD2-CG 4.37Å; I77-K99 CarbonylContact O-C 3.28Å; I77-K99 WeakPolarHBondContact O-CA 3.44Å; I77-K99 PolarHBondContact O-N 3.2Å; S78-K99 WeakPolarHBondContact CA-O 3.4Å; S78-K99 WeakPolarHBondContact CB-O 3.18Å; K99-E101 PolarHBondContact O-N 3.05Å
100I97.1Very high96.9Very high0 Ų038.4 Ų38.40%021%0.207CC..  trans-75.6112.6178.9-59.3170.6000109.1I77 L81 L95 V105 L106 L120 C123 P124 V125I77-I100 PolarHBondContact O-N 2.8Å; L81-I100 HydrophobicContact CD1-CD1 4.49Å; L95-I100 HydrophobicContact CB-CD1 4.09Å; L95-I100 HydrophobicContact CD1-CD1 3.94Å; L95-I100 HydrophobicContact CD2-CD1 4.48Å; L95-I100 HydrophobicContact CG-CD1 4.42Å; I100-V105 HydrophobicContact CG2-CB 4.24Å; I100-V105 HydrophobicContact CG2-CG1 4.15Å; I100-L106 HydrophobicContact CG2-CD2 4.27Å; I100-L120 HydrophobicContact CD1-CD2 3.61Å; I100-C123 HydrophobicContact CB-CB 4.23Å; I100-P124 VanDerWaalsContact O-CD 3.3Å; I100-P124 WeakPolarHBondContact O-CD 3.44Å; I100-V125 HydrophobicContact CB-CG1 4.36Å; I100-V125 HydrophobicContact CG2-CB 4.17Å; I100-V125 HydrophobicContact CG2-CG1 3.98Å; I100-V125 WeakPolarHBondContact O-CB 3.31Å; I100-V125 PolarHBondContact O-N 2.95Å
101E95.4Very high96.9Very high141 Ų14145.9 Ų45.966%0.65924%0.239SC*.  trans-104.2-30.1-174.7-65.6-175.117700114.4K99 P124K99-E101 PolarHBondContact O-N 3.05Å; E101-P124 HydrophobicContact CB-CB 4.42Å; E101-P124 HydrophobicContact CG-CB 3.85Å; E101-P124 HydrophobicContact CG-CG 3.91Å
102S95.4Very high96.8Very high47 Ų4743.4 Ų43.433%0.32923%0.228SC..  trans-115143.8-174.6-179.80000112.4D104 V105S102-D104 PolarHBondContact O-N 2.92Å; S102-D104 PolarHBondContact OG-N 3.36Å; S102-D104 VanDerWaalsContact OG-N 3.16Å; S102-V105 WeakPolarHBondContact O-CB 3.18Å; S102-V105 PolarHBondContact O-N 3.44Å
103M95.1Very high96.7Very high15 Ų1544.9 Ų44.97%0.07424%0.244CC..G310 helixtrans-60.4-29.1170.2-68.9-61.6-50.400112.4V105 L106 V125 T128 Y131 K134 A135 M138M103-V105 PolarHBondContact O-N 3.08Å; M103-L106 HydrophobicContact CE-CD1 3.85Å; M103-L106 WeakPolarHBondContact O-CB 3.3Å; M103-L106 PolarHBondContact O-N 2.87Å; M103-L106 HydrophobicContact SD-CD1 4.31Å; M103-V125 HydrophobicContact CG-CG2 4.19Å; M103-V125 HydrophobicContact SD-CG2 3.53Å; M103-V125 VanDerWaalsContact SD-CG2 3.53Å; M103-T128 HydrophobicContact CG-CG2 4.13Å; M103-Y131 HydrophobicContact SD-CD2 3.9Å; M103-K134 HydrophobicContact CE-CB 3.72Å; M103-K134 HydrophobicContact CG-CD 4.33Å; M103-K134 HydrophobicContact SD-CB 4.47Å; M103-A135 HydrophobicContact CE-CB 4.14Å; M103-M138 HydrophobicContact CB-CE 4.31Å; M103-M138 VanDerWaalsContact O-SD 3.4Å
104D95.8Very high96.7Very high110 Ų11048.2 Ų48.259%0.58826%0.26SS*.G310 helixtrans-65.3-26-177.6-62.2-34000112.3S102 L106 I107S102-D104 PolarHBondContact O-N 2.92Å; S102-D104 PolarHBondContact OG-N 3.36Å; S102-D104 VanDerWaalsContact OG-N 3.16Å; D104-L106 PolarHBondContact O-N 2.85Å; D104-I107 HydrophobicContact CB-CD1 4Å; D104-I107 WeakPolarHBondContact O-CB 3.4Å; D104-I107 WeakPolarHBondContact O-CD1 3.42Å; D104-I107 VanDerWaalsContact O-CG1 3.24Å; D104-I107 WeakPolarHBondContact O-CG1 3.34Å; D104-I107 PolarHBondContact O-N 2.76Å
105V95.6Very high96.7Very high33 Ų3346.8 Ų46.820%0.225%0.252CS..G310 helixtrans-62.9-26.4175.7174.40000111.6L81 I100 S102 M103 P108L81-V105 HydrophobicContact CD1-CG1 3.84Å; L81-V105 WeakPolarHBondContact CD1-O 3.3Å; L81-V105 HydrophobicContact CG-CG1 3.89Å; I100-V105 HydrophobicContact CG2-CB 4.24Å; I100-V105 HydrophobicContact CG2-CG1 4.15Å; S102-V105 WeakPolarHBondContact O-CB 3.18Å; S102-V105 PolarHBondContact O-N 3.44Å; M103-V105 PolarHBondContact O-N 3.08Å; V105-P108 WeakPolarHBondContact O-CD 3.49Å
106L96.3Very high96.6Very high0 Ų049.2 Ų49.20%026%0.263CS..G310 helixtrans-82.9-10.7-178.8-52.6-179.1000113.1L81 I100 M103 D104 P108 L109 L120 M138L81-L106 HydrophobicContact CD1-CD2 3.92Å; I100-L106 HydrophobicContact CG2-CD2 4.27Å; M103-L106 HydrophobicContact CE-CD1 3.85Å; M103-L106 WeakPolarHBondContact O-CB 3.3Å; M103-L106 PolarHBondContact O-N 2.87Å; M103-L106 HydrophobicContact SD-CD1 4.31Å; D104-L106 PolarHBondContact O-N 2.85Å; L106-P108 VanDerWaalsContact C-N 3.33Å; L106-L109 HydrophobicContact CB-CD1 4.41Å; L106-L109 HydrophobicContact CD2-CD1 3.98Å; L106-L109 VanDerWaalsContact O-CB 3.28Å; L106-L109 WeakPolarHBondContact O-CB 3.13Å; L106-L109 PolarHBondContact O-N 3.43Å; L106-L120 HydrophobicContact CD1-CD1 3.64Å; L106-L120 HydrophobicContact CD2-CD1 3.92Å; L106-L120 HydrophobicContact CD2-CD2 4.13Å; L106-L120 HydrophobicContact CG-CD1 4.45Å; L106-M138 HydrophobicContact CB-SD 3.83Å
107I96.5Very high96.6Very high91 Ų9149 Ų4947%0.46726%0.261SS..G310 helixtrans-52.4-41.7-178-68.1169.8000113.2D104 L109 A110 M138D104-I107 HydrophobicContact CB-CD1 4Å; D104-I107 WeakPolarHBondContact O-CB 3.4Å; D104-I107 WeakPolarHBondContact O-CD1 3.42Å; D104-I107 VanDerWaalsContact O-CG1 3.24Å; D104-I107 WeakPolarHBondContact O-CG1 3.34Å; D104-I107 PolarHBondContact O-N 2.76Å; I107-L109 VanDerWaalsContact C-N 3.25Å; I107-L109 PolarHBondContact O-N 3.01Å; I107-A110 VanDerWaalsContact O-CB 3.31Å; I107-A110 WeakPolarHBondContact O-CB 3.41Å; I107-A110 PolarHBondContact O-N 2.97Å; I107-M138 HydrophobicContact CG1-CE 3.99Å; I107-M138 HydrophobicContact CG1-SD 3.82Å
108P96.4Very high96.6Very high25 Ų2547.4 Ų47.416%0.16225%0.25CC..G310 helixtrans-60.5-32.8177.5-23.835.6000113.6D82 L85 V105 L106 A110 K111D82-P108 HydrophobicContact CB-CB 4.13Å; D82-P108 HydrophobicContact CB-CG 4.19Å; L85-P108 WeakPolarHBondContact CD2-O 3.11Å; V105-P108 WeakPolarHBondContact O-CD 3.49Å; L106-P108 VanDerWaalsContact C-N 3.33Å; P108-A110 PolarHBondContact O-N 3.04Å; P108-A110 VanDerWaalsContact O-N 3.16Å; P108-K111 WeakPolarHBondContact O-CB 3.24Å; P108-K111 PolarHBondContact O-N 2.96Å; P108-K111 VanDerWaalsContact O-N 3.08Å
109L97.1Very high96.6Very high0 Ų049.5 Ų49.50%026%0.261CS..G310 helixtrans-62.8-24.2-178.3-56.6-176.7000112.5L81 L84 L93 L106 I107 K111 L112 L115 L118 I139L81-L109 HydrophobicContact CB-CD2 4.16Å; L81-L109 HydrophobicContact CD1-CD1 3.98Å; L81-L109 HydrophobicContact CD1-CD2 4.19Å; L81-L109 HydrophobicContact CD1-CG 4.08Å; L84-L109 HydrophobicContact CD1-CD2 3.59Å; L93-L109 HydrophobicContact CD2-CD1 4.42Å; L93-L109 HydrophobicContact CD2-CD2 3.99Å; L106-L109 HydrophobicContact CB-CD1 4.41Å; L106-L109 HydrophobicContact CD2-CD1 3.98Å; L106-L109 VanDerWaalsContact O-CB 3.28Å; L106-L109 WeakPolarHBondContact O-CB 3.13Å; L106-L109 PolarHBondContact O-N 3.43Å; I107-L109 VanDerWaalsContact C-N 3.25Å; I107-L109 PolarHBondContact O-N 3.01Å; L109-K111 PolarHBondContact O-N 2.89Å; L109-L112 HydrophobicContact CD2-CD1 3.94Å; L109-L112 WeakPolarHBondContact O-CB 3.3Å; L109-L112 PolarHBondContact O-N 2.8Å; L109-L115 HydrophobicContact CB-CD2 4.17Å; L109-L118 HydrophobicContact CD1-CD1 4.3Å; L109-L118 HydrophobicContact CD1-CD2 3.89Å; L109-I139 HydrophobicContact CB-CD1 3.75Å; L109-I139 HydrophobicContact CB-CG1 4.19Å; L109-I139 HydrophobicContact CD1-CD1 3.98Å
110A96.4Very high96.6Very high41 Ų4144.4 Ų44.434%0.33924%0.239SC..G310 helixtrans-59.9-16.5175.300000114I107 P108 M138I107-A110 VanDerWaalsContact O-CB 3.31Å; I107-A110 WeakPolarHBondContact O-CB 3.41Å; I107-A110 PolarHBondContact O-N 2.97Å; P108-A110 PolarHBondContact O-N 3.04Å; P108-A110 VanDerWaalsContact O-N 3.16Å; A110-M138 WeakPolarHBondContact CB-O 3.48Å
111K96.4Very high96.5Very high157 Ų15745.3 Ų45.368%0.68325%0.248SC*.G310 helixtrans-90.3-10.8177.5-62.8175.9-178.81740113.5L85 P108 L109 S113L85-K111 HydrophobicContact CD1-CD 3.86Å; L85-K111 HydrophobicContact CD2-CB 3.66Å; L85-K111 HydrophobicContact CD2-CD 4.17Å; P108-K111 WeakPolarHBondContact O-CB 3.24Å; P108-K111 PolarHBondContact O-N 2.96Å; P108-K111 VanDerWaalsContact O-N 3.08Å; L109-K111 PolarHBondContact O-N 2.89Å; K111-S113 PolarHBondContact O-N 3.24Å
112L96.9Very high96.5Very high3 Ų345 Ų452%0.01625%0.251CS..  trans-82.695.6177-62.8175.6000108.8L84 L85 L109 E114 L115 S141L84-L112 HydrophobicContact CB-CD1 4.22Å; L85-L112 HydrophobicContact CD2-CD2 4.02Å; L85-L112 HydrophobicContact CD2-CG 4.27Å; L109-L112 HydrophobicContact CD2-CD1 3.94Å; L109-L112 WeakPolarHBondContact O-CB 3.3Å; L109-L112 PolarHBondContact O-N 2.8Å; L112-E114 PolarHBondContact O-N 2.91Å; L112-L115 HydrophobicContact CB-CB 3.84Å; L112-L115 HydrophobicContact CD1-CD2 4.33Å; L112-L115 PolarHBondContact O-N 2.72Å; L112-S141 PolarHBondContact O-OG 2.73Å; L112-S141 VanDerWaalsContact O-OG 3.11Å
113S95.8Very high96.6Very high86 Ų8642.9 Ų42.960%0.60124%0.236SC*.THydrogen-bonded Turntrans-66.1-26.4-17355.20000114K111 S141K111-S113 PolarHBondContact O-N 3.24Å; S113-S141 WeakPolarHBondContact O-CB 3.42Å
114E96.9Very high96.7Very high74 Ų7444.9 Ų44.935%0.34625%0.25SS..THydrogen-bonded Turntrans-91.6-7.2-177.7-57.9-51.4129.800113.5I90 E91 L112 K116I90-E114 CarbonylContact O-C 3.56Å; I90-E114 VanDerWaalsContact O-C 3.28Å; E91-E114 WeakPolarHBondContact CA-O 3.41Å; E91-E114 HydrophobicContact CG-CB 4.36Å; L112-E114 PolarHBondContact O-N 2.91Å; E114-K116 WeakPolarHBondContact O-CG 3.49Å; E114-K116 PolarHBondContact O-N 2.59Å; E114-K116 VanDerWaalsContact O-N 3.1Å
115L97.8Very high96.7Very high0 Ų039.6 Ų39.60%022%0.222CC..  trans-68.1109.8-176.1-177.768.1000110.6I90 L93 L109 L112 S117 I139 S141 L142I90-L115 HydrophobicContact CG2-CD1 4Å; I90-L115 VanDerWaalsContact O-CA 3.23Å; I90-L115 WeakPolarHBondContact O-CA 3.43Å; I90-L115 PolarHBondContact O-N 2.84Å; I90-L115 VanDerWaalsContact O-N 3.14Å; L93-L115 HydrophobicContact CB-CD1 3.75Å; L109-L115 HydrophobicContact CB-CD2 4.17Å; L112-L115 HydrophobicContact CB-CB 3.84Å; L112-L115 HydrophobicContact CD1-CD2 4.33Å; L112-L115 PolarHBondContact O-N 2.72Å; L115-S117 WeakPolarHBondContact CD1-O 3.44Å; L115-I139 HydrophobicContact CD2-CG2 4.2Å; L115-S141 CarbonylContact O-C 3.22Å; L115-S141 VanDerWaalsContact O-CB 3.27Å; L115-S141 WeakPolarHBondContact O-CB 3.42Å; L115-S141 VanDerWaalsContact O-O 3.08Å; L115-S141 PolarHBondContact O-OG 3.48Å; L115-L142 HydrophobicContact CG-CD1 4.38Å; L115-L142 PolarHBondContact O-N 2.8Å
116K96.8Very high96.7Very high52 Ų5240.3 Ų40.323%0.22623%0.227CC..  trans-105.6-37-176.4-69.7161.3-160.2165.50112.5E91 E114 K143 Y144E91-K116 HydrophobicContact CB-CD 4.49Å; E91-K116 PolarHBondContact O-N 2.59Å; E91-K116 IonicContact OE1-NZ 3.27Å; E91-K116 PolarHBondContact OE1-NZ 3.05Å; E91-K116 IonicContact OE2-NZ 2.71Å; E91-K116 PolarHBondContact OE2-NZ 2.92Å; E114-K116 WeakPolarHBondContact O-CG 3.49Å; E114-K116 PolarHBondContact O-N 2.59Å; E114-K116 VanDerWaalsContact O-N 3.1Å; K116-K143 HydrophobicContact CG-CD 4.36Å; K116-K143 WeakPolarHBondContact O-CA 3.34Å; K116-K143 PolarHBondContact O-N 2.99Å; K116-Y144 PolarHBondContact O-N 3.26Å
117S97.4Very high96.6Very high12 Ų1245.6 Ų45.68%0.08426%0.264CS..EExtended strand (participates in β ladder)trans-125.7132-179-167.50000111.2E91 L93 L115 Y144 E155E91-S117 PolarHBondContact O-N 3.31Å; L93-S117 PolarHBondContact N-O 3.37Å; L115-S117 WeakPolarHBondContact CD1-O 3.44Å; S117-Y144 WeakPolarHBondContact CA-O 3.32Å; S117-E155 WeakPolarHBondContact CB-OE1 3.38Å; S117-E155 PolarHBondContact OG-OE1 2.95Å; S117-E155 VanDerWaalsContact OG-OE1 3.1Å; S117-E155 PolarHBondContact OG-OE2 2.79Å
118L97.9Very high96.5Very high0 Ų043.4 Ų43.40%025%0.254CS..EExtended strand (participates in β ladder)trans-133.3125.1177.9175.460.6000109.2L93 L95 L109 L120 I139 L142 Y144 L145 D146L93-L118 HydrophobicContact CB-CD1 4.18Å; L93-L118 HydrophobicContact CD2-CD1 3.97Å; L93-L118 HydrophobicContact CG-CD1 4.01Å; L93-L118 WeakPolarHBondContact O-CA 3.45Å; L95-L118 HydrophobicContact CD1-CD1 4.25Å; L109-L118 HydrophobicContact CD1-CD1 4.3Å; L109-L118 HydrophobicContact CD1-CD2 3.89Å; L118-L120 HydrophobicContact CD1-CD2 4.34Å; L118-L120 HydrophobicContact CD1-CG 4.18Å; L118-L120 HydrophobicContact CD2-CD1 3.88Å; L118-L120 HydrophobicContact CD2-CG 4.22Å; L118-L120 HydrophobicContact CG-CD1 4.21Å; L118-L120 HydrophobicContact CG-CG 4.01Å; L118-I139 HydrophobicContact CD2-CD1 3.73Å; L118-L142 HydrophobicContact CB-CD1 3.51Å; L118-L142 HydrophobicContact CB-CD2 4.31Å; L118-Y144 PolarHBondContact N-O 3.5Å; L118-L145 HydrophobicContact CB-CD1 4.25Å; L118-L145 HydrophobicContact CD2-CD1 4.19Å; L118-L145 HydrophobicContact CG-CD1 4.16Å; L118-L145 CarbonylContact O-C 3Å; L118-L145 VanDerWaalsContact O-CA 3.29Å; L118-L145 WeakPolarHBondContact O-CA 3.35Å; L118-D146 PolarHBondContact O-N 2.85Å
119D97.8Very high96.4Very high46 Ų4649.4 Ų49.425%0.24628%0.28CS..EExtended strand (participates in β ladder)trans-110.4120.9171.8-167.7-16.6000110L93 N94 L95 S96 G121L93-D119 PolarHBondContact O-N 2.8Å; N94-D119 HydrophobicContact CB-CB 4.4Å; L95-D119 CarbonylContact C-O 3.6Å; L95-D119 WeakPolarHBondContact CA-O 3.18Å; L95-D119 PolarHBondContact N-O 2.97Å; S96-D119 PolarHBondContact N-O 2.78Å; D119-G121 WeakPolarHBondContact OD1-CA 3.44Å; D119-G121 PolarHBondContact OD1-N 3.35Å
120L97.5Very high96.3Very high0 Ų053 Ų530%030%0.299CS..  trans-120.415.9173.9-64.8166.1000111L95 I100 L106 L118 N122 C123 V125 T126 Y131 L145 D146L95-L120 HydrophobicContact CB-CD2 3.85Å; L95-L120 HydrophobicContact CD1-CD2 4.22Å; I100-L120 HydrophobicContact CD1-CD2 3.61Å; L106-L120 HydrophobicContact CD1-CD1 3.64Å; L106-L120 HydrophobicContact CD2-CD1 3.92Å; L106-L120 HydrophobicContact CD2-CD2 4.13Å; L106-L120 HydrophobicContact CG-CD1 4.45Å; L118-L120 HydrophobicContact CD1-CD2 4.34Å; L118-L120 HydrophobicContact CD1-CG 4.18Å; L118-L120 HydrophobicContact CD2-CD1 3.88Å; L118-L120 HydrophobicContact CD2-CG 4.22Å; L118-L120 HydrophobicContact CG-CD1 4.21Å; L118-L120 HydrophobicContact CG-CG 4.01Å; L120-N122 PolarHBondContact O-N 2.73Å; L120-C123 WeakPolarHBondContact O-CB 3.2Å; L120-C123 PolarHBondContact O-N 3.08Å; L120-C123 PolarHBondContact O-SG 3.29Å; L120-V125 HydrophobicContact CB-CG1 4.38Å; L120-V125 HydrophobicContact CD1-CG1 4.3Å; L120-T126 HydrophobicContact CB-CG2 4.46Å; L120-T126 WeakPolarHBondContact O-CG2 3.4Å; L120-Y131 WeakPolarHBondContact CB-OH 3.1Å; L120-Y131 HydrophobicContact CD1-CE2 3.94Å; L120-L145 HydrophobicContact CD1-CD1 4.43Å; L120-D146 PolarHBondContact N-OD1 3.24Å
121G95.7Very high96.2Very high19 Ų1951.8 Ų51.820%0.19629%0.286CS..THydrogen-bonded Turntrans-47.4140.7177.900000111.5S96 S97 D119 C123 D146S96-G121 CarbonylContact C-O 3.37Å; S96-G121 WeakPolarHBondContact CA-O 3.15Å; S96-G121 VanDerWaalsContact CB-O 3.28Å; S96-G121 WeakPolarHBondContact CB-O 3.3Å; S97-G121 PolarHBondContact N-O 3.5Å; D119-G121 WeakPolarHBondContact OD1-CA 3.44Å; D119-G121 PolarHBondContact OD1-N 3.35Å; G121-C123 PolarHBondContact O-N 2.99Å; G121-D146 PolarHBondContact N-OD1 3.35Å
122N95.7Very high96.2Very high134 Ų13447 Ų4772%0.71726%0.264SS*.THydrogen-bonded Turntrans58.213-176.6-55.9-32.8000116.2L120L120-N122 PolarHBondContact O-N 2.73Å
123C97.2Very high96.1Very high2 Ų254.2 Ų54.21%0.01430%0.295CS..SBendtrans-85.2146.2164.5-66.80000110.7L95 N98 I100 L120 G121 V125 T126L95-C123 PolarHBondContact O-SG 3.38Å; N98-C123 PolarHBondContact N-SG 2.68Å; I100-C123 HydrophobicContact CB-CB 4.23Å; L120-C123 WeakPolarHBondContact O-CB 3.2Å; L120-C123 PolarHBondContact O-N 3.08Å; L120-C123 PolarHBondContact O-SG 3.29Å; G121-C123 PolarHBondContact O-N 2.99Å; C123-V125 HydrophobicContact CB-CG1 3.86Å; C123-V125 PolarHBondContact O-N 2.91Å; C123-V125 VanDerWaalsContact O-N 3.12Å; C123-T126 WeakPolarHBondContact O-CB 3.47Å; C123-T126 WeakPolarHBondContact O-CG2 3.43Å; C123-T126 PolarHBondContact O-N 3.25Å; C123-T126 VanDerWaalsContact O-N 3.09Å; C123-T126 PolarHBondContact O-OG1 3.31Å
124P96.4Very high96.1Very high57 Ų5754.4 Ų54.437%0.3729%0.285SS..G310 helixtrans-55.9-29.5177.1-25.632.8000114.6I100 E101 T126 S127I100-P124 VanDerWaalsContact O-CD 3.3Å; I100-P124 WeakPolarHBondContact O-CD 3.44Å; E101-P124 HydrophobicContact CB-CB 4.42Å; E101-P124 HydrophobicContact CG-CB 3.85Å; E101-P124 HydrophobicContact CG-CG 3.91Å; P124-T126 PolarHBondContact O-N 3.06Å; P124-T126 VanDerWaalsContact O-N 3.16Å; P124-S127 WeakPolarHBondContact O-CB 3.11Å; P124-S127 PolarHBondContact O-N 2.98Å; P124-S127 VanDerWaalsContact O-N 3.08Å
125V96.4Very high96.1Very high0 Ų050.9 Ų50.90%027%0.269CS..G310 helixtrans-57-29.3177.268.80000113.3I100 M103 L120 C123 S127 T128 Y131I100-V125 HydrophobicContact CB-CG1 4.36Å; I100-V125 HydrophobicContact CG2-CB 4.17Å; I100-V125 HydrophobicContact CG2-CG1 3.98Å; I100-V125 WeakPolarHBondContact O-CB 3.31Å; I100-V125 PolarHBondContact O-N 2.95Å; M103-V125 HydrophobicContact CG-CG2 4.19Å; M103-V125 HydrophobicContact SD-CG2 3.53Å; M103-V125 VanDerWaalsContact SD-CG2 3.53Å; L120-V125 HydrophobicContact CB-CG1 4.38Å; L120-V125 HydrophobicContact CD1-CG1 4.3Å; C123-V125 HydrophobicContact CB-CG1 3.86Å; C123-V125 PolarHBondContact O-N 2.91Å; C123-V125 VanDerWaalsContact O-N 3.12Å; V125-S127 PolarHBondContact O-N 2.81Å; V125-S127 VanDerWaalsContact O-N 3.15Å; V125-T128 WeakPolarHBondContact O-CB 3.43Å; V125-T128 PolarHBondContact O-N 3.2Å; V125-T128 PolarHBondContact O-OG1 3.41Å; V125-Y131 HydrophobicContact CG1-CE2 4.33Å; V125-Y131 HydrophobicContact CG2-CD2 4.32Å
126T94.8Very high96Very high48 Ų4851.7 Ų51.729%0.29427%0.272SS..G310 helixtrans-61.7-22.6178.461.80000113.1L120 C123 P124 T128 Y131L120-T126 HydrophobicContact CB-CG2 4.46Å; L120-T126 WeakPolarHBondContact O-CG2 3.4Å; C123-T126 WeakPolarHBondContact O-CB 3.47Å; C123-T126 WeakPolarHBondContact O-CG2 3.43Å; C123-T126 PolarHBondContact O-N 3.25Å; C123-T126 VanDerWaalsContact O-N 3.09Å; C123-T126 PolarHBondContact O-OG1 3.31Å; P124-T126 PolarHBondContact O-N 3.06Å; P124-T126 VanDerWaalsContact O-N 3.16Å; T126-T128 VanDerWaalsContact C-N 3.27Å; T126-T128 PolarHBondContact O-N 3.25Å; T126-Y131 HydrophobicContact CG2-CE1 4.21Å
127S95Very high96Very high111 Ų11153.2 Ų53.278%0.77630%0.295SS*.G310 helixtrans-81.1-3.4175.8-62.40000113.5P124 V125P124-S127 WeakPolarHBondContact O-CB 3.11Å; P124-S127 PolarHBondContact O-N 2.98Å; P124-S127 VanDerWaalsContact O-N 3.08Å; V125-S127 PolarHBondContact O-N 2.81Å; V125-S127 VanDerWaalsContact O-N 3.15Å
128T94.8Very high95.9Very high44 Ų4455 Ų5527%0.2730%0.302SS..SBendtrans-70.2138.9-180-56.70000111.4M103 V125 T126 N130 Y131M103-T128 HydrophobicContact CG-CG2 4.13Å; V125-T128 WeakPolarHBondContact O-CB 3.43Å; V125-T128 PolarHBondContact O-N 3.2Å; V125-T128 PolarHBondContact O-OG1 3.41Å; T126-T128 VanDerWaalsContact C-N 3.27Å; T126-T128 PolarHBondContact O-N 3.25Å; T128-N130 PolarHBondContact O-N 3.16Å; T128-Y131 WeakPolarHBondContact O-CB 3.08Å; T128-Y131 PolarHBondContact O-N 3.22Å
129E94.1Very high95.8Very high151 Ų15155 Ų5571%0.70630%0.302SS*.THydrogen-bonded Turntrans-59.6130.9176.2-162.2-160.1153.200111.5Y131 K134E129-Y131 PolarHBondContact O-N 3.38Å; E129-K134 WeakPolarHBondContact O-CE 3.47Å; E129-K134 PolarHBondContact O-NZ 3.39Å
130N93.9Very high95.6Very high76 Ų7658 Ų5841%0.40632%0.324SS..THydrogen-bonded Turntrans58.427.7-176.1-59-66.9000113.6T128 R132 K133 K134T128-N130 PolarHBondContact O-N 3.16Å; N130-R132 PolarHBondContact O-N 3.2Å; N130-K133 HydrophobicContact CB-CB 4.39Å; N130-K133 PolarHBondContact O-N 2.93Å; N130-K133 VanDerWaalsContact O-N 3.15Å; N130-K134 HydrophobicContact CB-CG 4.47Å; N130-K134 WeakPolarHBondContact O-CG 3.16Å; N130-K134 PolarHBondContact O-N 2.87Å
131Y95.5Very high95.6Very high15 Ų1559.4 Ų59.46%0.05933%0.334CS..Hα-helixtrans-42.6-59.8180155.1-108.6000112.9M103 L120 V125 T126 T128 E129 K133 K134 A135 L145 D146M103-Y131 HydrophobicContact SD-CD2 3.9Å; L120-Y131 WeakPolarHBondContact CB-OH 3.1Å; L120-Y131 HydrophobicContact CD1-CE2 3.94Å; V125-Y131 HydrophobicContact CG1-CE2 4.33Å; V125-Y131 HydrophobicContact CG2-CD2 4.32Å; T126-Y131 HydrophobicContact CG2-CE1 4.21Å; T128-Y131 WeakPolarHBondContact O-CB 3.08Å; T128-Y131 PolarHBondContact O-N 3.22Å; E129-Y131 PolarHBondContact O-N 3.38Å; Y131-K133 PolarHBondContact O-N 2.89Å; Y131-K134 PolarHBondContact O-N 3.18Å; Y131-K134 VanDerWaalsContact O-N 3.13Å; Y131-A135 HydrophobicContact CE2-CB 4.45Å; Y131-A135 WeakPolarHBondContact O-CB 3.18Å; Y131-A135 PolarHBondContact O-N 3.18Å; Y131-L145 HydrophobicContact CE1-CD2 4.03Å; Y131-L145 HydrophobicContact CE1-CG 4.46Å; Y131-L145 VanDerWaalsContact OH-CD1 3.3Å; Y131-L145 WeakPolarHBondContact OH-CD1 3.34Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.28Å; Y131-D146 PolarHBondContact OH-OD1 3.36Å; Y131-D146 PolarHBondContact OH-OD2 2.91Å
132R95.4Very high95.6Very high58 Ų5859.1 Ų59.122%0.21933%0.328CS..Hα-helixtrans-55.8-49.5-179.4-64.5-17566.883.63112.5N130 K134 A135 F136 L145 D146 L148 D149N130-R132 PolarHBondContact O-N 3.2Å; R132-K134 VanDerWaalsContact C-N 3.32Å; R132-K134 PolarHBondContact O-N 2.81Å; R132-A135 PolarHBondContact O-N 3.1Å; R132-F136 HydrophobicContact CB-CD2 4.47Å; R132-F136 HydrophobicContact CB-CE2 4.45Å; R132-F136 WeakPolarHBondContact O-CD2 3.16Å; R132-F136 PolarHBondContact O-N 2.96Å; R132-L145 HydrophobicContact CB-CD2 4.07Å; R132-L145 HydrophobicContact CG-CD2 4Å; R132-L145 PolarHBondContact NH1-O 2.8Å; R132-L145 PolarHBondContact NH2-O 2.77Å; R132-D146 IonicContact NH1-OD2 2.69Å; R132-L148 VanDerWaalsContact NH2-C 3.28Å; R132-L148 PolarHBondContact NH2-O 3.07Å; R132-D149 PolarHBondContact NH2-O 3.1Å
133K95.2Very high95.6Very high154 Ų15458.3 Ų58.367%0.6732%0.318SS*.Hα-helixtrans-61.2-39.7179.6-68.1-179.5179.3173.60112.3N130 Y131 A137N130-K133 HydrophobicContact CB-CB 4.39Å; N130-K133 PolarHBondContact O-N 2.93Å; N130-K133 VanDerWaalsContact O-N 3.15Å; Y131-K133 PolarHBondContact O-N 2.89Å; K133-A137 WeakPolarHBondContact O-CB 3.43Å; K133-A137 PolarHBondContact O-N 3.23Å; K133-A137 VanDerWaalsContact O-N 3.08Å
134K96Very high95.6Very high90 Ų9060.4 Ų60.439%0.39133%0.326SS..Hα-helixtrans-70.2-39.7177.7-71.3174.7175.1163.30111.3M103 E129 N130 Y131 R132 A137 M138M103-K134 HydrophobicContact CE-CB 3.72Å; M103-K134 HydrophobicContact CG-CD 4.33Å; M103-K134 HydrophobicContact SD-CB 4.47Å; E129-K134 WeakPolarHBondContact O-CE 3.47Å; E129-K134 PolarHBondContact O-NZ 3.39Å; N130-K134 HydrophobicContact CB-CG 4.47Å; N130-K134 WeakPolarHBondContact O-CG 3.16Å; N130-K134 PolarHBondContact O-N 2.87Å; Y131-K134 PolarHBondContact O-N 3.18Å; Y131-K134 VanDerWaalsContact O-N 3.13Å; R132-K134 VanDerWaalsContact C-N 3.32Å; R132-K134 PolarHBondContact O-N 2.81Å; K134-A137 PolarHBondContact O-N 2.85Å; K134-M138 WeakPolarHBondContact O-CB 3.41Å; K134-M138 PolarHBondContact O-N 3.13Å
135A96.1Very high95.6Very high0 Ų057.7 Ų57.70%031%0.308CS..Hα-helixtrans-63.2-52.3177.700000111.4M103 Y131 R132 A137 M138 I139 L145M103-A135 HydrophobicContact CE-CB 4.14Å; Y131-A135 HydrophobicContact CE2-CB 4.45Å; Y131-A135 WeakPolarHBondContact O-CB 3.18Å; Y131-A135 PolarHBondContact O-N 3.18Å; R132-A135 PolarHBondContact O-N 3.1Å; A135-A137 VanDerWaalsContact C-N 3.31Å; A135-A137 PolarHBondContact O-N 3.36Å; A135-M138 PolarHBondContact O-N 2.88Å; A135-I139 PolarHBondContact O-N 3.15Å; A135-L145 HydrophobicContact CB-CD1 4.37Å; A135-L145 HydrophobicContact CB-CD2 3.55Å
136F96.5Very high95.6Very high17 Ų1759.7 Ų59.78%0.07532%0.319CS..Hα-helixtrans-59.7-38.7175-75.2-65.1000112.7R132 M138 L142 L145 E150R132-F136 HydrophobicContact CB-CD2 4.47Å; R132-F136 HydrophobicContact CB-CE2 4.45Å; R132-F136 WeakPolarHBondContact O-CD2 3.16Å; R132-F136 PolarHBondContact O-N 2.96Å; F136-M138 VanDerWaalsContact C-N 3.31Å; F136-M138 PolarHBondContact O-N 3.34Å; F136-L142 HydrophobicContact CD1-CB 4.36Å; F136-L142 HydrophobicContact CD1-CD2 4.1Å; F136-L142 HydrophobicContact CD1-CG 4.37Å; F136-L142 HydrophobicContact CE1-CD2 4.09Å; F136-L142 HydrophobicContact CE1-CG 4.21Å; F136-L145 HydrophobicContact CD2-CD2 4.4Å; F136-L145 HydrophobicContact CE1-CB 4.18Å; F136-L145 HydrophobicContact CE2-CB 3.9Å; F136-L145 HydrophobicContact CE2-CD2 4.12Å; F136-L145 HydrophobicContact CZ-CB 3.56Å; F136-E150 HydrophobicContact CB-CG 4.26Å; F136-E150 HydrophobicContact CD1-CG 3.63Å; F136-E150 HydrophobicContact CD2-CG 3.84Å; F136-E150 HydrophobicContact CE1-CG 3.83Å; F136-E150 HydrophobicContact CE2-CG 4.03Å; F136-E150 HydrophobicContact CG-CG 3.65Å; F136-E150 HydrophobicContact CZ-CG 4.03Å
137A95.9Very high95.5Very high84 Ų8458.8 Ų58.869%0.69432%0.319SS*.Hα-helixtrans-69.9-26.8175.600000113.7K133 K134 A135K133-A137 WeakPolarHBondContact O-CB 3.43Å; K133-A137 PolarHBondContact O-N 3.23Å; K133-A137 VanDerWaalsContact O-N 3.08Å; K134-A137 PolarHBondContact O-N 2.85Å; A135-A137 VanDerWaalsContact C-N 3.31Å; A135-A137 PolarHBondContact O-N 3.36Å
138M95.2Very high95.5Very high49 Ų4955.4 Ų55.424%0.24129%0.292CS..Hα-helixtrans-85.2-34.2-178.3-176.4175.8-69.300112.3M103 L106 I107 A110 K134 A135 F136 P140M103-M138 HydrophobicContact CB-CE 4.31Å; M103-M138 VanDerWaalsContact O-SD 3.4Å; L106-M138 HydrophobicContact CB-SD 3.83Å; I107-M138 HydrophobicContact CG1-CE 3.99Å; I107-M138 HydrophobicContact CG1-SD 3.82Å; A110-M138 WeakPolarHBondContact CB-O 3.48Å; K134-M138 WeakPolarHBondContact O-CB 3.41Å; K134-M138 PolarHBondContact O-N 3.13Å; A135-M138 PolarHBondContact O-N 2.88Å; F136-M138 VanDerWaalsContact C-N 3.31Å; F136-M138 PolarHBondContact O-N 3.34Å; M138-P140 WeakPolarHBondContact O-CD 3.39Å
139I96.3Very high95.4Very high0 Ų054.4 Ų54.40%029%0.285CS..  trans-117.190.5-175.7-52.2172.5000108.5L109 L115 L118 A135 S141 L142L109-I139 HydrophobicContact CB-CD1 3.75Å; L109-I139 HydrophobicContact CB-CG1 4.19Å; L109-I139 HydrophobicContact CD1-CD1 3.98Å; L115-I139 HydrophobicContact CD2-CG2 4.2Å; L118-I139 HydrophobicContact CD2-CD1 3.73Å; A135-I139 PolarHBondContact O-N 3.15Å; I139-S141 PolarHBondContact O-N 2.78Å; I139-L142 HydrophobicContact CB-CB 4.1Å; I139-L142 HydrophobicContact CG2-CB 3.9Å; I139-L142 VanDerWaalsContact O-CB 3.28Å; I139-L142 WeakPolarHBondContact O-CB 3.45Å; I139-L142 PolarHBondContact O-N 3.33Å; I139-L142 VanDerWaalsContact O-N 3.15Å
140P94.5Very high95.4Very high108 Ų10853.8 Ų53.870%0.70128%0.282SS*.THydrogen-bonded Turntrans-68.5-18.5-170.7-21.434.2000115.1M138 L142M138-P140 WeakPolarHBondContact O-CD 3.39Å; P140-L142 VanDerWaalsContact C-N 3.32Å
141S96Very high95.3Very high31 Ų3156 Ų5622%0.21729%0.294CS..THydrogen-bonded Turntrans-79.3-17.4177.457.80000113L112 S113 L115 I139 K143L112-S141 PolarHBondContact O-OG 2.73Å; L112-S141 VanDerWaalsContact O-OG 3.11Å; S113-S141 WeakPolarHBondContact O-CB 3.42Å; L115-S141 CarbonylContact O-C 3.22Å; L115-S141 VanDerWaalsContact O-CB 3.27Å; L115-S141 WeakPolarHBondContact O-CB 3.42Å; L115-S141 VanDerWaalsContact O-O 3.08Å; L115-S141 PolarHBondContact O-OG 3.48Å; I139-S141 PolarHBondContact O-N 2.78Å; S141-K143 PolarHBondContact O-N 3.16Å
142L96.7Very high95.1Very high13 Ų1360.3 Ų60.37%0.06832%0.318CS..  trans-71.1128.9-169-164.671.1000111.6L115 L118 F136 I139 P140 Y144 L145L115-L142 HydrophobicContact CG-CD1 4.38Å; L115-L142 PolarHBondContact O-N 2.8Å; L118-L142 HydrophobicContact CB-CD1 3.51Å; L118-L142 HydrophobicContact CB-CD2 4.31Å; F136-L142 HydrophobicContact CD1-CB 4.36Å; F136-L142 HydrophobicContact CD1-CD2 4.1Å; F136-L142 HydrophobicContact CD1-CG 4.37Å; F136-L142 HydrophobicContact CE1-CD2 4.09Å; F136-L142 HydrophobicContact CE1-CG 4.21Å; I139-L142 HydrophobicContact CB-CB 4.1Å; I139-L142 HydrophobicContact CG2-CB 3.9Å; I139-L142 VanDerWaalsContact O-CB 3.28Å; I139-L142 WeakPolarHBondContact O-CB 3.45Å; I139-L142 PolarHBondContact O-N 3.33Å; I139-L142 VanDerWaalsContact O-N 3.15Å; P140-L142 VanDerWaalsContact C-N 3.32Å; L142-Y144 WeakPolarHBondContact CD1-O 3.48Å; L142-Y144 WeakPolarHBondContact CG-O 3.38Å; L142-L145 HydrophobicContact CD2-CB 4.05Å; L142-L145 HydrophobicContact CD2-CD1 4.03Å
143K95.5Very high94.9Very high116 Ų11663.8 Ų63.850%0.50434%0.337SS..  trans-104.4-40175.4-64.6-175179.5-179.40111.9K116 S141 D149K116-K143 HydrophobicContact CG-CD 4.36Å; K116-K143 WeakPolarHBondContact O-CA 3.34Å; K116-K143 PolarHBondContact O-N 2.99Å; S141-K143 PolarHBondContact O-N 3.16Å; K143-D149 WeakPolarHBondContact O-CA 3.3Å
144Y96.9Very high94.5Very high47 Ų4764 Ų6418%0.18434%0.34CS..EExtended strand (participates in β ladder)trans-124.9135-177-58.4-79.2000110.3K116 S117 L118 L142 L148 D149 E155 F157K116-Y144 PolarHBondContact O-N 3.26Å; S117-Y144 WeakPolarHBondContact CA-O 3.32Å; L118-Y144 PolarHBondContact N-O 3.5Å; L142-Y144 WeakPolarHBondContact CD1-O 3.48Å; L142-Y144 WeakPolarHBondContact CG-O 3.38Å; Y144-L148 WeakPolarHBondContact CA-O 3.37Å; Y144-D149 HydrophobicContact CD1-CB 3.97Å; Y144-D149 HydrophobicContact CE1-CB 3.93Å; Y144-E155 HydrophobicContact CD1-CB 3.58Å; Y144-E155 HydrophobicContact CD1-CG 3.88Å; Y144-E155 HydrophobicContact CD2-CB 4.43Å; Y144-E155 HydrophobicContact CD2-CG 3.8Å; Y144-E155 VanDerWaalsContact CD2-OE1 3.22Å; Y144-E155 WeakPolarHBondContact CD2-OE1 3.43Å; Y144-E155 HydrophobicContact CE1-CB 3.89Å; Y144-E155 HydrophobicContact CE1-CG 4.11Å; Y144-E155 HydrophobicContact CE2-CG 4.05Å; Y144-E155 HydrophobicContact CG-CB 3.88Å; Y144-E155 HydrophobicContact CG-CG 3.71Å; Y144-F157 AromaticContact CD2-CE2 3.84Å; Y144-F157 HydrophobicContact CD2-CE2 3.84Å; Y144-F157 HydrophobicContact CE2-CD2 4.32Å; Y144-F157 AromaticContact CE2-CE2 3.46Å; Y144-F157 HydrophobicContact CE2-CE2 3.46Å; Y144-F157 VanDerWaalsContact CE2-CE2 3.46Å; Y144-F157 HydrophobicContact CE2-CZ 4.16Å
145L97.1Very high93.6Very high0 Ų061.9 Ų61.90%033%0.332CS..EExtended strand (participates in β ladder)trans-128.9123.3175.3-177.766.3000108L118 L120 Y131 R132 A135 F136 L142 G147 L148L118-L145 HydrophobicContact CB-CD1 4.25Å; L118-L145 HydrophobicContact CD2-CD1 4.19Å; L118-L145 HydrophobicContact CG-CD1 4.16Å; L118-L145 CarbonylContact O-C 3Å; L118-L145 VanDerWaalsContact O-CA 3.29Å; L118-L145 WeakPolarHBondContact O-CA 3.35Å; L120-L145 HydrophobicContact CD1-CD1 4.43Å; Y131-L145 HydrophobicContact CE1-CD2 4.03Å; Y131-L145 HydrophobicContact CE1-CG 4.46Å; Y131-L145 VanDerWaalsContact OH-CD1 3.3Å; Y131-L145 WeakPolarHBondContact OH-CD1 3.34Å; R132-L145 HydrophobicContact CB-CD2 4.07Å; R132-L145 HydrophobicContact CG-CD2 4Å; R132-L145 PolarHBondContact NH1-O 2.8Å; R132-L145 PolarHBondContact NH2-O 2.77Å; A135-L145 HydrophobicContact CB-CD1 4.37Å; A135-L145 HydrophobicContact CB-CD2 3.55Å; F136-L145 HydrophobicContact CD2-CD2 4.4Å; F136-L145 HydrophobicContact CE1-CB 4.18Å; F136-L145 HydrophobicContact CE2-CB 3.9Å; F136-L145 HydrophobicContact CE2-CD2 4.12Å; F136-L145 HydrophobicContact CZ-CB 3.56Å; L142-L145 HydrophobicContact CD2-CB 4.05Å; L142-L145 HydrophobicContact CD2-CD1 4.03Å; L145-G147 PolarHBondContact O-N 3.25Å; L145-L148 PolarHBondContact N-O 3.19Å; L145-L148 PolarHBondContact O-N 3.26Å; L145-L148 VanDerWaalsContact O-N 3.08Å
146D95.6Very high92.4Very high42 Ų4268.3 Ų68.323%0.22537%0.371CS..THydrogen-bonded Turntrans5143.4-177.7-44.1-50.2000112L118 L120 G121 Y131 R132 L148L118-D146 PolarHBondContact O-N 2.85Å; L120-D146 PolarHBondContact N-OD1 3.24Å; G121-D146 PolarHBondContact N-OD1 3.35Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.28Å; Y131-D146 PolarHBondContact OH-OD1 3.36Å; Y131-D146 PolarHBondContact OH-OD2 2.91Å; R132-D146 IonicContact NH1-OD2 2.69Å; D146-L148 VanDerWaalsContact C-N 3.3Å; D146-L148 PolarHBondContact O-N 3.23Å
147G93Very high90.6Very high29 Ų2972.2 Ų72.230%0.29939%0.388SS..THydrogen-bonded Turntrans75.57179.800000116.1L145 E154 E155L145-G147 PolarHBondContact O-N 3.25Å; G147-E154 WeakPolarHBondContact O-CA 3.14Å; G147-E155 PolarHBondContact O-N 3.41Å
148L94.7Very high88.4Confident40 Ų4070.5 Ų70.521%0.20938%0.379CS..BIsolated β-bridgetrans-131.3144.8-175.8-65.5169.9000111.5R132 Y144 L145 D146 E153 E154R132-L148 VanDerWaalsContact NH2-C 3.28Å; R132-L148 PolarHBondContact NH2-O 3.07Å; Y144-L148 WeakPolarHBondContact CA-O 3.37Å; L145-L148 PolarHBondContact N-O 3.19Å; L145-L148 PolarHBondContact O-N 3.26Å; L145-L148 VanDerWaalsContact O-N 3.08Å; D146-L148 VanDerWaalsContact C-N 3.3Å; D146-L148 PolarHBondContact O-N 3.23Å; L148-E153 CarbonylContact C-O 3.56Å; L148-E153 VanDerWaalsContact CA-O 3.29Å; L148-E153 WeakPolarHBondContact CA-O 3.19Å; L148-E154 HydrophobicContact CD2-CG 3.84Å
149D94.2Very high86.1Confident23 Ų2374.2 Ų74.212%0.12340%0.399CS..  trans-79.5-171.9175.483.7-19.4000113.5R132 K143 Y144 N151 N152 E153R132-D149 PolarHBondContact NH2-O 3.1Å; K143-D149 WeakPolarHBondContact O-CA 3.3Å; Y144-D149 HydrophobicContact CD1-CB 3.97Å; Y144-D149 HydrophobicContact CE1-CB 3.93Å; D149-N151 VanDerWaalsContact CG-N 3.35Å; D149-N151 PolarHBondContact O-N 2.87Å; D149-N151 VanDerWaalsContact OD1-CA 3.24Å; D149-N151 WeakPolarHBondContact OD1-CA 3.32Å; D149-N151 WeakPolarHBondContact OD1-CB 3.39Å; D149-N151 PolarHBondContact OD1-N 3.16Å; D149-N151 PolarHBondContact OD2-ND2 3.48Å; D149-N152 PolarHBondContact O-N 2.9Å; D149-N152 PolarHBondContact OD1-N 3.3Å; D149-E153 PolarHBondContact N-O 2.84Å; D149-E153 PolarHBondContact OD1-N 3.36Å
150E92.5Very high83.8Confident138 Ų13880.6 Ų80.665%0.64543%0.434SS*.THydrogen-bonded Turntrans-63-26.8173.5-72.2-166.9168.500113.3F136F136-E150 HydrophobicContact CB-CG 4.26Å; F136-E150 HydrophobicContact CD1-CG 3.63Å; F136-E150 HydrophobicContact CD2-CG 3.84Å; F136-E150 HydrophobicContact CE1-CG 3.83Å; F136-E150 HydrophobicContact CE2-CG 4.03Å; F136-E150 HydrophobicContact CG-CG 3.65Å; F136-E150 HydrophobicContact CZ-CG 4.03Å
151N92.5Very high81.6Confident123 Ų12381.1 Ų81.166%0.65843%0.425SS*.THydrogen-bonded Turntrans-92.40.5-179.5-52.6-61.2000113.3D149 E153D149-N151 VanDerWaalsContact CG-N 3.35Å; D149-N151 PolarHBondContact O-N 2.87Å; D149-N151 VanDerWaalsContact OD1-CA 3.24Å; D149-N151 WeakPolarHBondContact OD1-CA 3.32Å; D149-N151 WeakPolarHBondContact OD1-CB 3.39Å; D149-N151 PolarHBondContact OD1-N 3.16Å; D149-N151 PolarHBondContact OD2-ND2 3.48Å; N151-E153 VanDerWaalsContact C-N 3.35Å; N151-E153 HydrophobicContact CB-CG 4.31Å
152N91.2Very high79.5Confident105 Ų10584.1 Ų84.156%0.56144%0.438SS*.SBendtrans67.732.5-176.9-153.993.7000113.3D149D149-N152 PolarHBondContact O-N 2.9Å; D149-N152 PolarHBondContact OD1-N 3.3Å
153E90.6Very high77.1Confident131 Ų13189.3 Ų89.361%0.61247%0.466SS*.  trans-93.2142.5169-60.5-173.8172.400110.1L148 D149 N151L148-E153 CarbonylContact C-O 3.56Å; L148-E153 VanDerWaalsContact CA-O 3.29Å; L148-E153 WeakPolarHBondContact CA-O 3.19Å; D149-E153 PolarHBondContact N-O 2.84Å; D149-E153 PolarHBondContact OD1-N 3.36Å; N151-E153 VanDerWaalsContact C-N 3.35Å; N151-E153 HydrophobicContact CB-CG 4.31Å
154E87.4Confident74.5Confident157 Ų15787 Ų8773%0.73447%0.474SS*.BIsolated β-bridgetrans-68.5145.9-178.4-71.4177.3-176.200112.1G147 L148 V156G147-E154 WeakPolarHBondContact O-CA 3.14Å; L148-E154 HydrophobicContact CD2-CG 3.84Å; E154-V156 PolarHBondContact O-N 3.37Å; E154-V156 VanDerWaalsContact O-N 3.14Å
155E78.3Confident71.8Confident47 Ų4788.5 Ų88.522%0.2251%0.505CS..  trans-64.3109.2172.7-174.4163.6-150.700110.4S117 Y144 G147 F157S117-E155 WeakPolarHBondContact CB-OE1 3.38Å; S117-E155 PolarHBondContact OG-OE1 2.95Å; S117-E155 VanDerWaalsContact OG-OE1 3.1Å; S117-E155 PolarHBondContact OG-OE2 2.79Å; Y144-E155 HydrophobicContact CD1-CB 3.58Å; Y144-E155 HydrophobicContact CD1-CG 3.88Å; Y144-E155 HydrophobicContact CD2-CB 4.43Å; Y144-E155 HydrophobicContact CD2-CG 3.8Å; Y144-E155 VanDerWaalsContact CD2-OE1 3.22Å; Y144-E155 WeakPolarHBondContact CD2-OE1 3.43Å; Y144-E155 HydrophobicContact CE1-CB 3.89Å; Y144-E155 HydrophobicContact CE1-CG 4.11Å; Y144-E155 HydrophobicContact CE2-CG 4.05Å; Y144-E155 HydrophobicContact CG-CB 3.88Å; Y144-E155 HydrophobicContact CG-CG 3.71Å; G147-E155 PolarHBondContact O-N 3.41Å; E155-F157 VanDerWaalsContact CD-CD2 3.5Å; E155-F157 HydrophobicContact CG-CB 4.33Å; E155-F157 HydrophobicContact CG-CD2 3.24Å; E155-F157 HydrophobicContact CG-CE2 3.86Å; E155-F157 HydrophobicContact CG-CG 4.2Å; E155-F157 PolarHBondContact O-N 3.32Å; E155-F157 VanDerWaalsContact O-N 3.12Å; E155-F157 WeakPolarHBondContact OE1-CD2 3.42Å; E155-F157 WeakPolarHBondContact OE1-CE2 3.14Å
156V70.6Confident69.3Low134 Ų13495.4 Ų95.481%0.81254%0.541SS*.  trans-8762.3174.8-166.30000108.7E154E154-V156 PolarHBondContact O-N 3.37Å; E154-V156 VanDerWaalsContact O-N 3.14Å
157F58.5Low66.7Low99 Ų99100 Ų10043%0.43457%0.565SS.*  trans-107.7131.7163-70.7-68.8000109Y144 E155 N159Y144-F157 AromaticContact CD2-CE2 3.84Å; Y144-F157 HydrophobicContact CD2-CE2 3.84Å; Y144-F157 HydrophobicContact CE2-CD2 4.32Å; Y144-F157 AromaticContact CE2-CE2 3.46Å; Y144-F157 HydrophobicContact CE2-CE2 3.46Å; Y144-F157 VanDerWaalsContact CE2-CE2 3.46Å; Y144-F157 HydrophobicContact CE2-CZ 4.16Å; E155-F157 VanDerWaalsContact CD-CD2 3.5Å; E155-F157 HydrophobicContact CG-CB 4.33Å; E155-F157 HydrophobicContact CG-CD2 3.24Å; E155-F157 HydrophobicContact CG-CE2 3.86Å; E155-F157 HydrophobicContact CG-CG 4.2Å; E155-F157 PolarHBondContact O-N 3.32Å; E155-F157 VanDerWaalsContact O-N 3.12Å; E155-F157 WeakPolarHBondContact OE1-CD2 3.42Å; E155-F157 WeakPolarHBondContact OE1-CE2 3.14Å; F157-N159 PolarHBondContact O-N 3.13Å
158G49.8Very low64.8Low49 Ų49107.5 Ų107.551%0.50559%0.593SS.*  trans-58131.6171.200000108.7D160G158-D160 PolarHBondContact O-N 2.84Å
159N46.3Very low62.8Low126 Ų126113.6 Ų113.667%0.67462%0.62SS**G310 helixtrans-61.520175.7-85.914.2000113.8F157 F161 N163F157-N159 PolarHBondContact O-N 3.13Å; N159-F161 VanDerWaalsContact C-N 3.26Å; N159-F161 PolarHBondContact O-N 2.85Å; N159-N163 HydrophobicContact CB-CB 4.27Å; N159-N163 WeakPolarHBondContact O-CB 3.45Å; N159-N163 PolarHBondContact O-N 2.89Å; N159-N163 VanDerWaalsContact O-N 3.14Å
160D48.7Very low60.7Low135 Ų135117.5 Ų117.572%0.72266%0.656SS**G310 helixtrans-73.7-16.1-163.4-58-15.6000112.9G158G158-D160 PolarHBondContact O-N 2.84Å
161F48.3Very low58.7Low119 Ų119118 Ų11852%0.52266%0.663SS.*G310 helixtrans-94.6-15.5-175.6-71.1-78.6000115.2N159N159-F161 VanDerWaalsContact C-N 3.26Å; N159-F161 PolarHBondContact O-N 2.85Å
162L50.6Low56.8Low94 Ų94115.3 Ų115.349%0.49266%0.664SS.*THydrogen-bonded Turntrans-127.9-15.5-179.9-66.2176.2000113.1V47 G164V47-L162 HydrophobicContact CG1-CD2 3.91Å; L162-G164 VanDerWaalsContact C-N 3.34Å; L162-G164 PolarHBondContact O-N 3.12Å
163N46.7Very low55.3Low122 Ų122116.9 Ų116.965%0.65268%0.677SS**SBendtrans-90.480.4172.3-150.136.7000107.5N159 G165N159-N163 HydrophobicContact CB-CB 4.27Å; N159-N163 WeakPolarHBondContact O-CB 3.45Å; N159-N163 PolarHBondContact O-N 2.89Å; N159-N163 VanDerWaalsContact O-N 3.14Å; N163-G165 PolarHBondContact O-N 3.28Å; N163-G165 VanDerWaalsContact O-N 3.13Å
164G41.2Very low53.6Low66 Ų66118.1 Ų118.168%0.6869%0.688SS**  trans-37.7120.3-177.100000111.6L162 L166L162-G164 VanDerWaalsContact C-N 3.34Å; L162-G164 PolarHBondContact O-N 3.12Å; G164-L166 VanDerWaalsContact C-N 3.34Å; G164-L166 PolarHBondContact O-N 3.38Å
165G39.3Very low52Low80 Ų80119.7 Ų119.783%0.82570%0.695SS**  trans-49.496.317900000111.3N163 D167N163-G165 PolarHBondContact O-N 3.28Å; N163-G165 VanDerWaalsContact O-N 3.13Å; G165-D167 VanDerWaalsContact C-N 3.27Å; G165-D167 PolarHBondContact O-N 3.32Å
166L45.6Very low51Low145 Ų145121.2 Ų121.276%0.75972%0.716SS**  trans-70.696.8143.8-74.1166.2000105G164 E168G164-L166 VanDerWaalsContact C-N 3.34Å; G164-L166 PolarHBondContact O-N 3.38Å; L166-E168 PolarHBondContact O-N 3.32Å
167D41Very low50.2Low137 Ų137122.8 Ų122.873%0.73372%0.72SS**  trans21.866.6141.268.8-15.1000117.9G165G165-D167 VanDerWaalsContact C-N 3.27Å; G165-D167 PolarHBondContact O-N 3.32Å
168E53.8Low50.2Low187 Ų187126.9 Ų126.987%0.87474%0.74SS**  trans-10086.3153.4-66.4-150.4-179.300108.8L166L166-E168 PolarHBondContact O-N 3.32Å
169E51.1Low50.7Low168 Ų168132 Ų13279%0.78576%0.756SS**  trans49.8100.2140.5-60.2-68.1166.900115.6D171E169-D171 PolarHBondContact O-N 3.05Å
170A50.1Low51.3Low106 Ų106133.3 Ų133.388%0.87676%0.763SS**  trans-59.782.4155.500000109.9G172A170-G172 VanDerWaalsContact C-N 3.27Å; A170-G172 PolarHBondContact O-N 3.31Å
171D51.7Low51.9Low149 Ų149133.8 Ų133.880%0.79777%0.766SS**  trans-85.781.3163.4-143.13.9000107.7E169 V173E169-D171 PolarHBondContact O-N 3.05Å; D171-V173 PolarHBondContact O-N 3.46Å
172G53.2Low52.1Low66 Ų66136.8 Ų136.868%0.6878%0.781SS**  trans-65.796.9172.800000110.1A170 D174A170-G172 VanDerWaalsContact C-N 3.27Å; A170-G172 PolarHBondContact O-N 3.31Å; G172-D174 PolarHBondContact O-N 2.95Å
173V59.1Low52.4Low137 Ų137135.9 Ų135.983%0.8380%0.795SS**  trans-74.478.8157.1-87.60000108.3D171D171-V173 PolarHBondContact O-N 3.46Å
174D55.6Low52.8Low157 Ų157135.5 Ų135.584%0.8480%0.802SS**  trans-79.8114.9162.7-107.4-23.3000108.5G172 A176G172-D174 PolarHBondContact O-N 2.95Å; D174-A176 PolarHBondContact O-N 3.15Å; D174-A176 VanDerWaalsContact O-N 3.17Å
175E52.1Low53.3Low190 Ų190139.5 Ų139.589%0.88881%0.807SS**  trans-63.8103167.7-65.3-81.7172.700108.7
176A57.2Low54.2Low79 Ų79145 Ų14565%0.65381%0.812SS**  trans-120.4103.6168.500000109.6D174 E178D174-A176 PolarHBondContact O-N 3.15Å; D174-A176 VanDerWaalsContact O-N 3.17Å; A176-E178 PolarHBondContact O-N 2.67Å
177D55Low54.4Low168 Ų168146.8 Ų146.890%0.89882%0.816SS**  trans-47.2118.4157.3-77.3-52.3000109.9
178E58.9Low55.2Low185 Ų185148.4 Ų148.486%0.86483%0.825SS**  trans-130.5109.9162.4-72.4-166.5175.100110.7A176A176-E178 PolarHBondContact O-N 2.67Å
179D59.4Low55.2Low155 Ų155148.7 Ų148.783%0.82983%0.826SS**  trans-60.4136.5165.1-74.3-55.2000111.5
180D58Low55.1Low154 Ų154146.5 Ų146.582%0.82483%0.828SS**  trans43.7123133.2-107.8-4.6000121.1
181D61.3Low55.1Low145 Ų145148.9 Ų148.978%0.77583%0.826SS**  108.6140.9123.4-154.628.6000118.8
182E53.7Low55.3Low183 Ų183149.2 Ų149.286%0.85583%0.828SS**  trans-77.2157.6-151.8-58.1-170.5169.400115.4
183G56.3Low55.5Low75 Ų75155.2 Ų155.277%0.77384%0.838SS**  132.1123.5129.600000117.1
184S56.3Low55.4Low114 Ų114156.4 Ų156.480%0.79784%0.838SS**  trans97101.3148-153.50000117.5
185D51.1Low55.3Low149 Ų149151.5 Ų151.580%0.79783%0.825SS**  trans-26.8135.5142.8-51.9-45.8000113
186E57Low55.5Low196 Ų196150.6 Ų150.692%0.91682%0.824SS**  -151.5141.2120.4-68.5-155.8166.500109.6
187E50.9Low55.2Low182 Ų182156 Ų15685%0.8584%0.836SS**  trans-67.9145.1-175.7-57.7163.4173.500111.4
188D58.5Low55.1Low171 Ų171152.6 Ų152.691%0.91483%0.831SS**  trans-162.8122141.1-97.7-31.1000111.2
189E53.8Low55Low193 Ų193152.2 Ų152.290%0.90283%0.834SS**  trans-75.5133.8176.4-62.2171.2155.300110.7
190C48.5Very low54.5Low122 Ų122153.4 Ų153.482%0.82484%0.835SS**  trans-158.496.4143.9450000111
191D49.3Very low54.3Low157 Ų157155 Ų15584%0.8484%0.837SS**  trans-50.2131.4148.5-78.1-41.1000108.9
192D57Low53.9Low155 Ų155154.1 Ų154.183%0.82984%0.843SS**  trans-159.599.5143.5-91.7-35000110.1I194D192-I194 PolarHBondContact O-N 3.16Å
193E57.4Low53.8Low193 Ų193148.4 Ų148.490%0.90283%0.833SS**  trans-57.2105.8167.4-173.3173.4-159.600110.4G195E193-G195 PolarHBondContact O-N 3.09Å
194I55.7Low53.8Low161 Ų161153.9 Ų153.983%0.82684%0.838SS**  trans-89.686.5172.5-57.1-177.8000108.9D192D192-I194 PolarHBondContact O-N 3.16Å
195G53.5Low53.8Low55 Ų55156 Ų15657%0.56784%0.84SS**  trans-66124.2167.100000111.7E193 E197E193-G195 PolarHBondContact O-N 3.09Å; G195-E197 PolarHBondContact O-N 3.47Å
196I56.8Low54.2Low171 Ų171157.3 Ų157.388%0.87784%0.841SS**  trans-73.848.5176.721.1171.5000112
197E50.7Low53.9Low192 Ų192155.8 Ų155.890%0.89784%0.839SS**  trans-110.768.9177.1-70.2-171.4164.900110.5G195G195-E197 PolarHBondContact O-N 3.47Å
198A54Low54.4Low97 Ų97154.3 Ų154.380%0.80284%0.837SS**  trans-144.411.2171.900000114.9Q200A198-Q200 VanDerWaalsContact C-N 3.28Å; A198-Q200 PolarHBondContact O-N 3.02Å
199L55.5Low54.1Low177 Ų177154.9 Ų154.993%0.92783%0.834SS**  trans-87.723.1-179.4-75.5172.6000114.7
200Q48.5Very low54.4Low179 Ų179152.7 Ų152.784%0.83683%0.829SS**  trans-142.588.2178.2-69.9-177.4-1.600111.6A198A198-Q200 VanDerWaalsContact C-N 3.28Å; A198-Q200 PolarHBondContact O-N 3.02Å
201Q54.5Low55Low187 Ų187154.4 Ų154.487%0.87483%0.83SS**  trans173.1131.1134.4-99.3163.919.800112.4
202S53.4Low55.7Low127 Ų127157 Ų15789%0.88883%0.829SS**  trans67129.3157.968.50000116.6
203G52Low56.1Low63 Ų63153.4 Ų153.465%0.64982%0.821SS**  cis164156.19.700000107.9
204E54.8Low56.4Low190 Ų190149.1 Ų149.189%0.88881%0.81SS**  trans70.7122.6160.1-57.1-179.6164.200116.8
205L56.6Low56.6Low158 Ų158145.1 Ų145.183%0.82781%0.808SS**  trans160.974.9147.3-80-167.1000104.8
206E59.4Low56.2Low177 Ų177151.2 Ų151.283%0.82782%0.822SS**  78.710397.7-74.8-173.6177.800111.2D208E206-D208 PolarHBondContact O-N 2.77Å
207D51.2Low56.1Low164 Ų164150.2 Ų150.288%0.87782%0.819SS**  trans-58.5112.5169-83.5-43.8000109.6
208D60.5Low56.3Low152 Ų152149.2 Ų149.281%0.81381%0.814SS**  trans-107.994.5158.5-82.8-31.1000108.1E206E206-D208 PolarHBondContact O-N 2.77Å
209E52.8Low55.9Low182 Ų182154.1 Ų154.185%0.8582%0.82SS**  trans-84.894.7169.7-177178.8-146.900107.4
210D60.4Low55.9Low148 Ų148150.1 Ų150.179%0.79181%0.813SS**  trans-146.7107.1171.1-85.5-40.8000112.4
211D60.1Low56.1Low157 Ų157149.4 Ų149.484%0.8481%0.809SS**  trans63.777.8135.2-126.15.8000119.4
212Y64.1Low56.2Low212 Ų212148.9 Ų148.983%0.83181%0.812SS**  trans-89.996.1159.2-168.5-94.6000110.2P214Y212-P214 HydrophobicContact CE1-CB 4.5Å
213A66.6Low56.3Low79 Ų79148.5 Ų148.565%0.65380%0.8SS**  trans-86.8116.9167.900000109.6G215A213-G215 PolarHBondContact O-N 3.2Å
214P63Low56.3Low103 Ų103152 Ų15267%0.66980%0.803SS**  trans-71.4120.1173.328.1-29.1000108.8Y212 E216Y212-P214 HydrophobicContact CE1-CB 4.5Å; P214-E216 PolarHBondContact O-N 3.3Å; P214-E216 VanDerWaalsContact O-N 3.13Å
215G59.4Low56.6Low77 Ų77153.3 Ų153.379%0.79480%0.802SS**  trans-63.1110.217200000110.6A213A213-G215 PolarHBondContact O-N 3.2Å
216E46.3Very low56.3Low184 Ų184152.5 Ų152.586%0.8680%0.798SS**  trans-71115.5150.5-68.2179165.300106.5P214P214-E216 PolarHBondContact O-N 3.3Å; P214-E216 VanDerWaalsContact O-N 3.13Å
217D55.4Low56.3Low149 Ų149151.1 Ų151.180%0.79780%0.796SS**  trans176.9126.8167.9-83.9-25.8000105.5
218E53Low56.7Low172 Ų172148.7 Ų148.780%0.80479%0.788SS**  cis-154.61372.6-88.1176.316700105.3A220E218-A220 PolarHBondContact O-N 3.08Å
219E46.5Very low56.2Low200 Ų200148.5 Ų148.594%0.93579%0.787SS**  trans-69.7109.2166.3-63.3-142.3166.100108.5
220A55.6Low56.4Low92 Ų92146.9 Ų146.976%0.7678%0.783SS**  trans-99.394.1171.500000109.4E218E218-A220 PolarHBondContact O-N 3.08Å
221E53.6Low55.9Low164 Ų164148 Ų14877%0.76678%0.784SS**  trans19.3100.3138.6-59.7-72.3175.900115.4D223E221-D223 PolarHBondContact O-N 3.3Å
222L55.7Low55.7Low177 Ų177147.8 Ų147.893%0.92778%0.783SS**  trans-87.188.8166.6-160.896.2000108D224L222-D224 PolarHBondContact O-N 3.33Å
223D55.6Low55.1Low119 Ų119146.3 Ų146.364%0.63678%0.784SS**  trans-69.7113.4176.4-72.7-16.8000111.2E221 Y225E221-D223 PolarHBondContact O-N 3.3Å; D223-Y225 WeakPolarHBondContact O-CD2 3.46Å
224D50.9Low54.5Low136 Ų136150.4 Ų150.473%0.72780%0.795SS**  trans-1.3112.1141.7-135.36.1000116L222L222-D224 PolarHBondContact O-N 3.33Å
225Y61.9Low53.9Low218 Ų218152.8 Ų152.886%0.85580%0.802SS**  trans-118.494157.2-76.7-83.7000108.3D223D223-Y225 WeakPolarHBondContact O-CD2 3.46Å
226D49.9Very low53.6Low140 Ų140155.3 Ų155.375%0.74980%0.801SS**  trans-55.1121.2150.1-78-47.2000108.6
227D59.6Low54Low148 Ų148154.6 Ų154.679%0.79180%0.798SS**  trans-140.293.5158.9-127.30.1000109.8
228V60.7Low53.4Low114 Ų114156.3 Ų156.369%0.69180%0.801SS**  trans38.3113.9143.3-64.80000120.2
229D49.2Very low53.3Low148 Ų148154.5 Ų154.579%0.79180%0.797SS**  trans-47.7126.3141.6-78.3-48.1000110.5
230D58Low53.4Low147 Ų147151.8 Ų151.879%0.78679%0.789SS**  trans-130.589.1149.6-87.7-37.3000107.2
231E49.9Very low53Low173 Ų173151.2 Ų151.281%0.80879%0.792SS**  trans-71.3116.5153-67.5-176.6161.800107.2
232D55.7Low52.7Low152 Ų152148.1 Ų148.181%0.81379%0.794SS**  trans-136109.5157.6-88.2-39.7000109.5
233E50.1Low52.3Low181 Ų181147.3 Ų147.385%0.84679%0.791SS**  trans-60.4138.2161-62.8175.6149.800109.7
234D53.9Low52Low165 Ų165148.6 Ų148.688%0.88280%0.797SS**  trans-150.695.9150.6-90.6-35.4000109.3
235D50.2Low51.9Low153 Ų153147.3 Ų147.382%0.81880%0.799SS**  trans-48.1135.2149.5-89.1-47000110
236V53.9Low51.2Low129 Ų129141.4 Ų141.478%0.78280%0.795SS**  -174114.8128.1-90.90000113.3
237E54.4Low51.3Low169 Ų169138.9 Ų138.979%0.7979%0.794SS**  75.6118127-56-64.5175.500122.2
238E43.5Very low50.6Low185 Ų185139.5 Ų139.586%0.86480%0.797SS**  trans-48.8132.7151.4-68.9177.2132.800111.6
239D51.6Low50.2Low134 Ų134140.5 Ų140.572%0.71780%0.803SS**  trans-162.2131.7138.9-15117.4000115.3
240N47.5Very low50.4Low144 Ų144139.2 Ų139.277%0.7781%0.805SS**  trans63.5115.3144.4-77-27.8000122.8
241G47.2Very low49.9Very low79 Ų79135.3 Ų135.381%0.81480%0.8SS**  trans-175.847159.800000115.8N243G241-N243 PolarHBondContact O-N 3.39Å
242A46.5Very low49.9Very low99 Ų99133.2 Ų133.282%0.81880%0.801SS**  trans-58.5127.3169.400000111.3
243N48.5Very low49.6Very low161 Ų161138.3 Ų138.386%0.86181%0.809SS**  trans-144.9118.9146.2-150.8-7.1000112.5G241G241-N243 PolarHBondContact O-N 3.39Å
244L49Very low49.9Very low145 Ų145141.4 Ų141.476%0.75981%0.813SS**  trans-90.9152.1178-70.7163000109.4
245S48.1Very low49.5Very low109 Ų109139.4 Ų139.476%0.76281%0.809SS**  trans81118.3142.276.90000119.5
246A48.7Very low49.6Very low94 Ų94136 Ų13678%0.77781%0.811SS**  89.3129.1118.400000119.7
247A50.4Low49.4Very low88 Ų88135.6 Ų135.673%0.72781%0.809SS**  trans86.2103.6138.100000117.9
248N46.3Very low49.1Very low161 Ų161136 Ų13686%0.86181%0.808SS**  62.6143118.7-91.82000120.2
249V51.9Low49.4Very low135 Ų135138.9 Ų138.982%0.81881%0.811SS**  trans110.887.5154.3-1720000115.5
250S52.3Low48.9Very low120 Ų120143.6 Ų143.684%0.83982%0.818SS**  trans-21137.3138.4-174.70000117.5
251G49.3Very low49.3Very low66 Ų66144.8 Ų144.868%0.6882%0.819SS**  trans142118.2146.200000116.2
252P49.1Very low49.1Very low128 Ų128147.8 Ų147.883%0.83181%0.812SS**  trans-94.1150.5-178.536.2-31000112.8
253R49.2Very low49.2Very low259 Ų259149.3 Ų149.398%0.97781%0.806SS**  trans-134.2135.9164.7-83.6-170.4162.1-145.4-3112.6
254R56.2Low49.3Very low246 Ų246149.2 Ų149.293%0.92880%0.804SS**PPolyproline II helixtrans-83.4169.4-175.4-93.7176.7165.8-123.80.2113.7
255P46Very low49.4Very low123 Ų123149.9 Ų149.980%0.79980%0.803SS**PPolyproline II helixtrans-95.9161.1-163.236.4-32.7000115.9
256G52.5Low49.6Very low82 Ų82152.1 Ų152.185%0.84581%0.807SS**PPolyproline II helixtrans-93.8156.4-17900000114.9
257T48.7Very low49.6Very low121 Ų121150.6 Ų150.674%0.74280%0.801SS**  trans-113.8155.5-1636.40000112.5
258K49.2Very low49.7Very low178 Ų178156.4 Ų156.477%0.77481%0.809SS**  trans70.2120141.1-73.1172.9-180176.90120
259R48.7Very low49.9Very low245 Ų245156.4 Ų156.493%0.92581%0.809SS**  165.5140100.4-101.2150.2173.9-168.7-3.6113.9
260R42.7Very low49.5Very low232 Ų232153.4 Ų153.488%0.87581%0.805SS**  trans-76.8152.5163.3-77.1179162.8-156.6-3.3111
261H53.9Low49.2Very low170 Ų170151.2 Ų151.279%0.78780%0.802SS**  trans-156.2146.8139-146.6-87.5000111.2
262E44.1Very low49Very low142 Ų142156.4 Ų156.466%0.66481%0.814SS**  trans-85.9168.3-170.4-64162.3136.400113.6
263D48.5Very low49Very low131 Ų131154.3 Ų154.370%0.70181%0.808SS**  trans121.8145.9134.9-66.7-40.3000118.5
264I49.7Very low49Very low159 Ų159150.8 Ų150.882%0.81580%0.803SS**  trans101.1133.2164.5-52.2162.6000113.9
265Q52.8Low48.7Very low159 Ų159147.6 Ų147.674%0.74380%0.798SS**  cis175.6154.1-35.6-110179.14.200104.9
266D52.2Low48.7Very low155 Ų155147.5 Ų147.583%0.82980%0.798SS**  trans73133.6163-56.8-47.9000118.8
267G47.4Very low48.4Very low63 Ų63146.5 Ų146.565%0.64979%0.788SS**  cis159.5142.9-0.100000111.6
268K53.4Low48.5Very low209 Ų209147.1 Ų147.191%0.90979%0.792SS**  trans69.6145.5153.3-55172.6-179.5169.40116.4
269N49.3Very low48.5Very low162 Ų162147.4 Ų147.487%0.86679%0.793SS**  cis-163.8166.318.1-158.77.4000108.9
270G44.5Very low48.8Very low71 Ų71144.1 Ų144.173%0.73279%0.788SS**  trans-66.2-172179.600000115.2
271G45.9Very low49.4Very low75 Ų75141.4 Ų141.477%0.77378%0.783SS**  cis166.5145.48.500000108
272N45.9Very low49.1Very low174 Ų174140.7 Ų140.793%0.9378%0.779SS**  trans56.4143.6156.9-96.58.2000124.8
273A48.9Very low49.7Very low85 Ų85140.6 Ų140.670%0.70279%0.789SS**  trans102.8102.6146.300000119.2
274E49.1Very low49.7Very low185 Ų185143 Ų14386%0.86480%0.796SS**  53.3119121-64.4-168.113800122.4
275H49.7Very low50.3Low179 Ų179143.6 Ų143.683%0.82980%0.801SS**  73.7126.6128.2-119.470.7000122.8
276C46.4Very low50.2Low120 Ų120144.8 Ų144.881%0.81181%0.806SS**  trans86.7110.3141.8-145.70000120.6
277G45.7Very low50.6Low61 Ų61143.3 Ų143.363%0.62980%0.802SS**  101.7119.5117.600000120
278T50.9Low51.1Low135 Ų135148.4 Ų148.483%0.82881%0.809SS**  trans98.8107135.7-15.50000121
279K48.7Very low50.9Low183 Ų183144.6 Ų144.680%0.79680%0.803SS**  trans19.2138139.2-58.4177.9175.3176.90122.3
280H54.4Low51.6Low177 Ų177145.8 Ų145.882%0.81980%0.803SS**  156.7115.1129-88.4-73.6000109.3
281K55.2Low52Low174 Ų174147.6 Ų147.676%0.75780%0.8SS**  95.4114.574.6-164.2176.6-176179.90114
282H48.5Very low53.1Low155 Ų155153.6 Ų153.672%0.71881%0.808SS**  trans49135.4154.2-75.2-61.9000122.6
283T56.6Low53.5Low140 Ų140152.9 Ų152.986%0.85980%0.804SS**  -176.2137.9105.234.60000111.4
284E47.5Very low54.1Low183 Ų183152.6 Ų152.686%0.85581%0.81SS**  trans-85.6154171.9-65.4169.813400111
285D62.4Low54.6Low171 Ų171149 Ų14991%0.91480%0.804SS**  trans-150.7127153.7-96.7-36.3000110.8
286H52.2Low55.2Low184 Ų184146.8 Ų146.885%0.85280%0.804SS**  trans-73.6165.9170.4-93.1-71.8000111.3
287V60.5Low55.9Low124 Ų124145.2 Ų145.275%0.75280%0.799SS**  trans179.4123.8131.4153.10000112.9
288E57.3Low56.7Low170 Ų170150 Ų15079%0.79481%0.811SS**  trans56.1127.8141.7-62.9178.3143.400125.6
289T48.8Very low57.4Low128 Ų128155 Ų15579%0.78583%0.833SS**  trans-81.2143.2158.349.30000112.3
290H63.7Low57.8Low187 Ų187153.7 Ų153.787%0.86684%0.835SS**  trans-147.7141.2153.5-109.6-73000112.5
291V53.6Low58Low110 Ų110152.4 Ų152.467%0.66784%0.835SS**  trans-95.5141.6-170.7176.10000110.3
292E69Low58.1Low201 Ų201151.2 Ų151.294%0.93984%0.84SS**  trans-131.4124.2156.2-78.7-165.6143.500111.4
293N54.3Low58.7Low158 Ų158151 Ų15185%0.84585%0.847SS**  trans-92.5149.7173-72.7-50.5000109.7
294G60.6Low58.8Low80 Ų80151.7 Ų151.783%0.82585%0.846SS**  trans-177.581.8169.500000114.5
295S60.2Low59.6Low108 Ų108149.6 Ų149.676%0.75585%0.846SS**  trans-71.4151169.352.50000113.9
296T62.1Low59.4Low133 Ų133148.1 Ų148.182%0.81684%0.841SS**  trans150.9109.4139.645.80000108.3
297A61.4Low60Low87 Ų87145.3 Ų145.372%0.71984%0.84SS**  77.6135.868.900000114.6
298D62.6Low59.9Low161 Ų161147.1 Ų147.186%0.86185%0.847SS**  trans101.4130.1158.2-65.4-62000120.9
299D65.4Low60.1Low242 Ų242145 Ų145100%1.29485%0.852SS**  trans76.50176.8-91.8-62.9000120.7

Retrieved 299 of 299 residues in 56.7 ms (Link to these results)

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