A0A077ZGJ2_TRITR Loading...

Acyl-CoA synthetase short-chain family member 3, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZGJ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,037 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.9Very low73.8Confident241 Ų241144.7 Ų144.7100%1.18776%0.764SS**  0107.80-73.6-170.3-97.400106.7A3M1-A3 PolarHBondContact O-N 2.93Å
2S58.6Low75.8Confident123 Ų123135.9 Ų135.986%0.8671%0.714SS**  trans-60.9106.9167.354.20000106.4Q4S2-Q4 PolarHBondContact O-N 3.12Å
3A60Low77.6Confident82 Ų82126.2 Ų126.268%0.67866%0.663SS**  trans-51.5137.2167.700000107.5M1 I5M1-A3 PolarHBondContact O-N 2.93Å; A3-I5 PolarHBondContact O-N 3.27Å
4Q63.4Low79Confident195 Ų195129.1 Ų129.191%0.91166%0.661SS**  trans-54109.9171.7-101.4179.8-24.800107.7S2 N6S2-Q4 PolarHBondContact O-N 3.12Å; Q4-N6 PolarHBondContact O-N 2.94Å; Q4-N6 VanDerWaalsContact O-N 3.15Å
5I68.1Low80.3Confident168 Ų168121.5 Ų121.586%0.86262%0.623SS**  trans-73.7106.9173.4-58.1175.7000105.6A3A3-I5 PolarHBondContact O-N 3.27Å
6N72.8Confident81.5Confident113 Ų113113.9 Ų113.960%0.60458%0.584SS**  trans-72.5129.8177.6-168.9-7.1000109.6Q4 I8Q4-N6 PolarHBondContact O-N 2.94Å; Q4-N6 VanDerWaalsContact O-N 3.15Å; N6-I8 WeakPolarHBondContact ND2-CD1 3.5Å; N6-I8 PolarHBondContact O-N 2.94Å; N6-I8 WeakPolarHBondContact OD1-CG1 3.09Å; N6-I8 PolarHBondContact OD1-N 3.28Å
7N82.7Confident82.5Confident163 Ų163108.3 Ų108.387%0.87256%0.556SS**  trans-85.724.2-177.7-161.936.9000113.1R9N7-R9 PolarHBondContact O-N 3.39Å
8I86.1Confident83.4Confident125 Ų125105.2 Ų105.264%0.64154%0.541SS*.PPolyproline II helixtrans-73.2122.8173.1-69.2172.4000107.9N6 P10N6-I8 WeakPolarHBondContact ND2-CD1 3.5Å; N6-I8 PolarHBondContact O-N 2.94Å; N6-I8 WeakPolarHBondContact OD1-CG1 3.09Å; N6-I8 PolarHBondContact OD1-N 3.28Å; I8-P10 WeakPolarHBondContact O-CD 3.4Å
9R87.5Confident84.2Confident139 Ų13999.7 Ų99.753%0.52551%0.512SS..PPolyproline II helixtrans-63.3121.5174.9-168.4173.6-171.6-176.40.5108.6N7 G245 P247N7-R9 PolarHBondContact O-N 3.39Å; R9-G245 PolarHBondContact NH2-O 2.81Å; R9-P247 HydrophobicContact CG-CG 4.08Å
10P91.8Very high84.9Confident68 Ų6894.7 Ų94.744%0.44249%0.487SS..PPolyproline II helixtrans-71.7167.4-179.728.8-31.8000110.8I8 P247I8-P10 WeakPolarHBondContact O-CD 3.4Å; P10-P247 HydrophobicContact CG-CB 4.28Å; P10-P247 VanDerWaalsContact O-CB 3.24Å; P10-P247 WeakPolarHBondContact O-CB 3.48Å
11E95.2Very high85.5Confident175 Ų17592.2 Ų92.282%0.81847%0.474SS*.PPolyproline II helixtrans-68160166.2-63.3-170.6164.700110.9P247E11-P247 WeakPolarHBondContact O-CB 3.49Å
12F98.2Very high88.1Confident39 Ų3981.2 Ų81.217%0.17142%0.42CS..PPolyproline II helixtrans-65.3139.6175.3-81.1-92.7000110.5R14 I16 V17 L195 P247F12-R14 PolarHBondContact O-N 3.49Å; F12-I16 HydrophobicContact CD1-CG2 4.21Å; F12-V17 HydrophobicContact CB-CG2 3.73Å; F12-L195 HydrophobicContact CB-CD2 4.2Å; F12-L195 HydrophobicContact CD1-CB 4.04Å; F12-L195 HydrophobicContact CD1-CD2 4.28Å; F12-L195 HydrophobicContact CD2-CB 4.3Å; F12-L195 HydrophobicContact CD2-CD1 3.98Å; F12-L195 HydrophobicContact CE1-CB 3.83Å; F12-L195 HydrophobicContact CE2-CB 4.07Å; F12-L195 HydrophobicContact CE2-CD1 4.2Å; F12-L195 HydrophobicContact CG-CB 4.29Å; F12-L195 HydrophobicContact CG-CD1 4.37Å; F12-L195 HydrophobicContact CG-CD2 4.1Å; F12-L195 HydrophobicContact CG-CG 4.49Å; F12-L195 HydrophobicContact CZ-CB 3.83Å; F12-P247 CarbonylContact C-O 3.54Å; F12-P247 WeakPolarHBondContact CA-O 3.4Å; F12-P247 HydrophobicContact CB-CB 4.42Å; F12-P247 HydrophobicContact CD1-CB 4.11Å; F12-P247 HydrophobicContact CD1-CG 4.45Å; F12-P247 HydrophobicContact CD2-CB 4.09Å; F12-P247 HydrophobicContact CD2-CG 4.18Å; F12-P247 HydrophobicContact CE1-CB 4.38Å; F12-P247 HydrophobicContact CE1-CG 4.25Å; F12-P247 HydrophobicContact CE2-CB 4.39Å; F12-P247 HydrophobicContact CE2-CG 3.99Å; F12-P247 HydrophobicContact CG-CB 3.95Å; F12-P247 HydrophobicContact CG-CG 4.41Å; F12-P247 HydrophobicContact CZ-CG 4.02Å
13D98.4Very high89.9Confident10 Ų1075.3 Ų75.35%0.05338%0.379CS..PPolyproline II helixtrans-49.5134175.5-73.2-51.2000110.5V15 I16 V17 P247 S248 A249 L250 T251D13-V15 PolarHBondContact O-N 3.47Å; D13-V15 VanDerWaalsContact O-N 3.1Å; D13-I16 HydrophobicContact CB-CD1 4.08Å; D13-I16 HydrophobicContact CB-CG1 4.19Å; D13-I16 WeakPolarHBondContact O-CA 3.47Å; D13-I16 WeakPolarHBondContact O-CB 3.42Å; D13-I16 PolarHBondContact O-N 3.01Å; D13-V17 PolarHBondContact O-N 2.93Å; D13-P247 VanDerWaalsContact CG-O 3.27Å; D13-P247 PolarHBondContact N-O 3.44Å; D13-P247 VanDerWaalsContact OD2-O 3.11Å; D13-S248 VanDerWaalsContact OD2-CA 3.26Å; D13-S248 WeakPolarHBondContact OD2-CA 3.27Å; D13-A249 PolarHBondContact OD2-N 2.88Å; D13-L250 HydrophobicContact CB-CB 4.33Å; D13-L250 HydrophobicContact CB-CD1 4.06Å; D13-L250 HydrophobicContact CB-CG 4.33Å; D13-L250 WeakPolarHBondContact OD2-CA 3.31Å; D13-L250 VanDerWaalsContact OD2-CB 3.31Å; D13-L250 WeakPolarHBondContact OD2-CB 3.43Å; D13-L250 PolarHBondContact OD2-N 3.25Å; D13-T251 VanDerWaalsContact OD1-CB 3.26Å; D13-T251 WeakPolarHBondContact OD1-CB 3.3Å; D13-T251 WeakPolarHBondContact OD1-CG2 3.35Å; D13-T251 PolarHBondContact OD1-OG1 2.91Å; D13-T251 PolarHBondContact OD2-N 3.07Å
14R98.1Very high91.7Very high167 Ų16774.6 Ų74.663%0.6336%0.362SS*.Hα-helixtrans-55.3-37.7-173-177.262.7-164.4-174.27.5112.8F12 I16 V17 D18F12-R14 PolarHBondContact O-N 3.49Å; R14-I16 VanDerWaalsContact C-N 3.33Å; R14-I16 PolarHBondContact O-N 3.38Å; R14-V17 WeakPolarHBondContact O-CB 3.48Å; R14-V17 PolarHBondContact O-N 3.43Å; R14-D18 IonicContact CZ-OD1 3.05Å; R14-D18 IonicContact NE-OD1 2.85Å; R14-D18 PolarHBondContact NE-OD1 3.03Å; R14-D18 IonicContact NE-OD2 3.33Å; R14-D18 PolarHBondContact NE-OD2 3.09Å; R14-D18 IonicContact NH2-OD1 2.7Å; R14-D18 PolarHBondContact NH2-OD1 2.83Å; R14-D18 WeakPolarHBondContact O-CB 3.45Å; R14-D18 VanDerWaalsContact O-CG 3.25Å; R14-D18 PolarHBondContact O-N 3.2Å
15V98.1Very high93.4Very high14 Ų1470.9 Ų70.99%0.08535%0.349CS..Hα-helixtrans-59.6-42.2175.7175.60000112D13 I19 L250 F267 F269D13-V15 PolarHBondContact O-N 3.47Å; D13-V15 VanDerWaalsContact O-N 3.1Å; V15-I19 HydrophobicContact CG1-CD1 4.1Å; V15-I19 WeakPolarHBondContact O-CD1 3.38Å; V15-I19 VanDerWaalsContact O-CG1 3.24Å; V15-I19 WeakPolarHBondContact O-CG1 3.28Å; V15-I19 PolarHBondContact O-N 3.23Å; V15-I19 VanDerWaalsContact O-N 3.12Å; V15-L250 HydrophobicContact CB-CD1 3.8Å; V15-L250 HydrophobicContact CG1-CD1 4.12Å; V15-L250 HydrophobicContact CG2-CD1 4.37Å; V15-F267 HydrophobicContact CG1-CD2 4.32Å; V15-F267 HydrophobicContact CG2-CD2 4.49Å; V15-F269 HydrophobicContact CG1-CZ 3.94Å; V15-F269 HydrophobicContact CG2-CE2 3.76Å; V15-F269 HydrophobicContact CG2-CZ 4.04Å
16I98.6Very high94.8Very high0 Ų067.3 Ų67.30%033%0.325CS..Hα-helixtrans-66.6-45177.5-63.2175.3000109.4F12 D13 R14 D18 I19 V20 L195 V198 A249 L250F12-I16 HydrophobicContact CD1-CG2 4.21Å; D13-I16 HydrophobicContact CB-CD1 4.08Å; D13-I16 HydrophobicContact CB-CG1 4.19Å; D13-I16 WeakPolarHBondContact O-CA 3.47Å; D13-I16 WeakPolarHBondContact O-CB 3.42Å; D13-I16 PolarHBondContact O-N 3.01Å; R14-I16 VanDerWaalsContact C-N 3.33Å; R14-I16 PolarHBondContact O-N 3.38Å; I16-D18 PolarHBondContact O-N 3.09Å; I16-I19 PolarHBondContact O-N 3.18Å; I16-V20 WeakPolarHBondContact O-CG2 3.39Å; I16-V20 PolarHBondContact O-N 3.13Å; I16-L195 HydrophobicContact CG2-CD2 3.9Å; I16-V198 HydrophobicContact CG1-CG1 4.43Å; I16-V198 HydrophobicContact CG2-CB 4.12Å; I16-V198 HydrophobicContact CG2-CG1 3.91Å; I16-A249 HydrophobicContact CD1-CB 4.35Å; I16-L250 HydrophobicContact CD1-CG 4.47Å; I16-L250 HydrophobicContact CG1-CD1 4.23Å
17V98.6Very high95.9Very high19 Ų1969.9 Ų69.912%0.11533%0.333CS..Hα-helixtrans-58.3-47.5176.8173.80000111.5F12 D13 R14 I19 V20 D21 L195F12-V17 HydrophobicContact CB-CG2 3.73Å; D13-V17 PolarHBondContact O-N 2.93Å; R14-V17 WeakPolarHBondContact O-CB 3.48Å; R14-V17 PolarHBondContact O-N 3.43Å; V17-I19 VanDerWaalsContact C-N 3.33Å; V17-I19 PolarHBondContact O-N 3.05Å; V17-V20 PolarHBondContact O-N 3.45Å; V17-D21 VanDerWaalsContact CG1-OD2 3.31Å; V17-D21 WeakPolarHBondContact CG1-OD2 3.28Å; V17-D21 WeakPolarHBondContact O-CB 3.45Å; V17-D21 PolarHBondContact O-N 2.89Å; V17-L195 HydrophobicContact CG2-CD2 4.15Å
18D98.6Very high96.7Very high53 Ų5362.6 Ų62.628%0.28329%0.294SS..Hα-helixtrans-63.5-37.3-179.3-70.1-30.4000112.1R14 I16 Y22 Y273R14-D18 IonicContact CZ-OD1 3.05Å; R14-D18 IonicContact NE-OD1 2.85Å; R14-D18 PolarHBondContact NE-OD1 3.03Å; R14-D18 IonicContact NE-OD2 3.33Å; R14-D18 PolarHBondContact NE-OD2 3.09Å; R14-D18 IonicContact NH2-OD1 2.7Å; R14-D18 PolarHBondContact NH2-OD1 2.83Å; R14-D18 WeakPolarHBondContact O-CB 3.45Å; R14-D18 VanDerWaalsContact O-CG 3.25Å; R14-D18 PolarHBondContact O-N 3.2Å; I16-D18 PolarHBondContact O-N 3.09Å; D18-Y22 VanDerWaalsContact O-CB 3.23Å; D18-Y22 WeakPolarHBondContact O-CB 3.45Å; D18-Y22 PolarHBondContact O-N 3.11Å; D18-Y273 HydrophobicContact CB-CE2 3.99Å
19I98.7Very high97.1Very high0 Ų061.7 Ų61.70%030%0.299CS..Hα-helixtrans-63.6-50.1174.2-69.9165.7000110.6V15 I16 V17 Y22 V23 I154 I158 V177 A181 V198 Y273V15-I19 HydrophobicContact CG1-CD1 4.1Å; V15-I19 WeakPolarHBondContact O-CD1 3.38Å; V15-I19 VanDerWaalsContact O-CG1 3.24Å; V15-I19 WeakPolarHBondContact O-CG1 3.28Å; V15-I19 PolarHBondContact O-N 3.23Å; V15-I19 VanDerWaalsContact O-N 3.12Å; I16-I19 PolarHBondContact O-N 3.18Å; V17-I19 VanDerWaalsContact C-N 3.33Å; V17-I19 PolarHBondContact O-N 3.05Å; I19-Y22 PolarHBondContact O-N 3.05Å; I19-V23 PolarHBondContact O-N 2.89Å; I19-I154 HydrophobicContact CD1-CG2 4.22Å; I19-I154 HydrophobicContact CG1-CG2 4.09Å; I19-I154 HydrophobicContact CG2-CD1 4.02Å; I19-I154 HydrophobicContact CG2-CG1 4.38Å; I19-I154 HydrophobicContact CG2-CG2 4.26Å; I19-I158 HydrophobicContact CD1-CD1 4.07Å; I19-V177 HydrophobicContact CD1-CG1 4.02Å; I19-A181 HydrophobicContact CG2-CB 3.63Å; I19-V198 HydrophobicContact CD1-CG1 4.49Å; I19-V198 HydrophobicContact CG2-CG1 4.36Å; I19-V198 HydrophobicContact CG2-CG2 4.44Å; I19-Y273 HydrophobicContact CG1-CE2 3.97Å; I19-Y273 WeakPolarHBondContact CG1-OH 3.37Å
20V98.8Very high97.6Very high0 Ų056.1 Ų56.10%028%0.281CS..Hα-helixtrans-64.8-45.3-177.4173.60000111.2I16 V17 Y22 V23 M24 R191 T194 L195 V198I16-V20 WeakPolarHBondContact O-CG2 3.39Å; I16-V20 PolarHBondContact O-N 3.13Å; V17-V20 PolarHBondContact O-N 3.45Å; V20-Y22 VanDerWaalsContact C-N 3.29Å; V20-Y22 PolarHBondContact O-N 3.47Å; V20-V23 VanDerWaalsContact O-CG2 3.28Å; V20-V23 WeakPolarHBondContact O-CG2 3.38Å; V20-V23 PolarHBondContact O-N 3.25Å; V20-M24 HydrophobicContact CG1-CG 4.34Å; V20-M24 HydrophobicContact CG1-SD 3.89Å; V20-M24 WeakPolarHBondContact O-CB 3.12Å; V20-M24 WeakPolarHBondContact O-CG 3.36Å; V20-M24 PolarHBondContact O-N 3.04Å; V20-R191 HydrophobicContact CG1-CG 3.96Å; V20-T194 HydrophobicContact CB-CG2 4.44Å; V20-T194 HydrophobicContact CG1-CG2 3.91Å; V20-T194 HydrophobicContact CG2-CG2 3.93Å; V20-L195 HydrophobicContact CB-CD2 3.98Å; V20-L195 HydrophobicContact CB-CG 4.37Å; V20-L195 HydrophobicContact CG1-CD2 4.33Å; V20-L195 HydrophobicContact CG1-CG 4.21Å; V20-L195 HydrophobicContact CG2-CD2 3.75Å; V20-L195 HydrophobicContact CG2-CG 4.14Å; V20-V198 HydrophobicContact CG2-CB 4.37Å; V20-V198 HydrophobicContact CG2-CG2 4.02Å
21D98.5Very high97.9Very high42 Ų4259.6 Ų59.623%0.22529%0.289CS..Hα-helixtrans-66.2-33.9179.8-71.7-21000111.6V17 N25 R191V17-D21 VanDerWaalsContact CG1-OD2 3.31Å; V17-D21 WeakPolarHBondContact CG1-OD2 3.28Å; V17-D21 WeakPolarHBondContact O-CB 3.45Å; V17-D21 PolarHBondContact O-N 2.89Å; D21-N25 WeakPolarHBondContact O-CB 3.3Å; D21-N25 PolarHBondContact O-N 3.16Å; D21-N25 PolarHBondContact O-ND2 3.02Å; D21-R191 IonicContact OD1-CZ 3.25Å; D21-R191 VanDerWaalsContact OD1-CZ 3.25Å; D21-R191 IonicContact OD1-NE 2.74Å; D21-R191 PolarHBondContact OD1-NE 3.26Å; D21-R191 IonicContact OD1-NH2 2.9Å; D21-R191 PolarHBondContact OD1-NH2 3.38Å; D21-R191 IonicContact OD2-NH2 3.02Å; D21-R191 PolarHBondContact OD2-NH2 3.41Å
22Y98.6Very high97.9Very high10 Ų1055.1 Ų55.14%0.03927%0.274CS..Hα-helixtrans-64.4-51.4172.6170-105.3000112D18 I19 V20 M24 Y26 K150 E153 I154 Y273 G274D18-Y22 VanDerWaalsContact O-CB 3.23Å; D18-Y22 WeakPolarHBondContact O-CB 3.45Å; D18-Y22 PolarHBondContact O-N 3.11Å; I19-Y22 PolarHBondContact O-N 3.05Å; V20-Y22 VanDerWaalsContact C-N 3.29Å; V20-Y22 PolarHBondContact O-N 3.47Å; Y22-M24 VanDerWaalsContact C-N 3.28Å; Y22-M24 PolarHBondContact O-N 3.25Å; Y22-Y26 VanDerWaalsContact CD2-CB 3.48Å; Y22-Y26 HydrophobicContact CD2-CD1 4.09Å; Y22-Y26 HydrophobicContact CD2-CD2 4.29Å; Y22-Y26 AromaticContact CD2-CG 3.71Å; Y22-Y26 HydrophobicContact CD2-CG 3.71Å; Y22-Y26 AromaticContact CE2-CD1 3.53Å; Y22-Y26 HydrophobicContact CE2-CD1 3.53Å; Y22-Y26 HydrophobicContact CE2-CD2 4.4Å; Y22-Y26 HydrophobicContact CE2-CE1 4.19Å; Y22-Y26 AromaticContact CE2-CG 3.65Å; Y22-Y26 HydrophobicContact CE2-CG 3.65Å; Y22-Y26 VanDerWaalsContact O-CB 3.23Å; Y22-Y26 WeakPolarHBondContact O-CB 3.24Å; Y22-Y26 PolarHBondContact O-N 2.91Å; Y22-K150 HydrophobicContact CE1-CB 3.76Å; Y22-K150 HydrophobicContact CE1-CG 3.85Å; Y22-K150 WeakPolarHBondContact OH-CA 3.32Å; Y22-E153 HydrophobicContact CE1-CB 4.14Å; Y22-E153 HydrophobicContact CE1-CG 4.4Å; Y22-E153 HydrophobicContact CE2-CG 4.46Å; Y22-E153 VanDerWaalsContact OH-CB 3.29Å; Y22-E153 WeakPolarHBondContact OH-CB 2.95Å; Y22-I154 HydrophobicContact CD1-CD1 4.09Å; Y22-I154 HydrophobicContact CD1-CG1 3.87Å; Y22-I154 HydrophobicContact CE1-CD1 4.28Å; Y22-I154 HydrophobicContact CE1-CG1 4.02Å; Y22-Y273 HydrophobicContact CD1-CG 4.34Å; Y22-Y273 HydrophobicContact CD2-CG 4.32Å; Y22-Y273 HydrophobicContact CG-CD2 4.15Å; Y22-Y273 HydrophobicContact CG-CG 4.06Å; Y22-G274 WeakPolarHBondContact CE2-O 3Å; Y22-G274 PolarHBondContact OH-O 3.06Å
23V98.3Very high97.9Very high0 Ų053.2 Ų53.20%027%0.266CS..Hα-helixtrans-65.8-30.9-178.5-61.80000112.6I19 V20 K150 I154 A181 V182 T194I19-V23 PolarHBondContact O-N 2.89Å; V20-V23 VanDerWaalsContact O-CG2 3.28Å; V20-V23 WeakPolarHBondContact O-CG2 3.38Å; V20-V23 PolarHBondContact O-N 3.25Å; V23-K150 PolarHBondContact O-NZ 3.48Å; V23-I154 HydrophobicContact CG1-CD1 3.48Å; V23-I154 VanDerWaalsContact CG1-CD1 3.48Å; V23-A181 HydrophobicContact CG1-CB 3.9Å; V23-A181 HydrophobicContact CG2-CB 4.31Å; V23-V182 HydrophobicContact CG1-CG1 4.06Å; V23-T194 HydrophobicContact CG2-CG2 4.42Å
24M97.7Very high97.9Very high67 Ų6754.1 Ų54.133%0.3327%0.268SS..Hα-helixtrans-86.2-34.2-178.6-64.9-170.382.500113.8V20 Y22 R191V20-M24 HydrophobicContact CG1-CG 4.34Å; V20-M24 HydrophobicContact CG1-SD 3.89Å; V20-M24 WeakPolarHBondContact O-CB 3.12Å; V20-M24 WeakPolarHBondContact O-CG 3.36Å; V20-M24 PolarHBondContact O-N 3.04Å; Y22-M24 VanDerWaalsContact C-N 3.28Å; Y22-M24 PolarHBondContact O-N 3.25Å; M24-R191 HydrophobicContact CE-CB 4.12Å; M24-R191 WeakPolarHBondContact SD-CA 3.38Å; M24-R191 HydrophobicContact SD-CB 3.65Å; M24-R191 HydrophobicContact SD-CG 3.88Å
25N97.5Very high97.9Very high117 Ų11748.7 Ų48.763%0.62625%0.252SS*.Hα-helixtrans-117-19.4-164.9-50.2-51.4000114.2D21D21-N25 WeakPolarHBondContact O-CB 3.3Å; D21-N25 PolarHBondContact O-N 3.16Å; D21-N25 PolarHBondContact O-ND2 3.02Å
26Y97.8Very high97.8Very high93 Ų9348.2 Ų48.237%0.36525%0.249SC..  trans-82.8123.4-177.2-167.2-90.3000111.6Y22 I28 K150Y22-Y26 VanDerWaalsContact CD2-CB 3.48Å; Y22-Y26 HydrophobicContact CD2-CD1 4.09Å; Y22-Y26 HydrophobicContact CD2-CD2 4.29Å; Y22-Y26 AromaticContact CD2-CG 3.71Å; Y22-Y26 HydrophobicContact CD2-CG 3.71Å; Y22-Y26 AromaticContact CE2-CD1 3.53Å; Y22-Y26 HydrophobicContact CE2-CD1 3.53Å; Y22-Y26 HydrophobicContact CE2-CD2 4.4Å; Y22-Y26 HydrophobicContact CE2-CE1 4.19Å; Y22-Y26 AromaticContact CE2-CG 3.65Å; Y22-Y26 HydrophobicContact CE2-CG 3.65Å; Y22-Y26 VanDerWaalsContact O-CB 3.23Å; Y22-Y26 WeakPolarHBondContact O-CB 3.24Å; Y22-Y26 PolarHBondContact O-N 2.91Å; Y26-I28 HydrophobicContact CD1-CD1 3.68Å; Y26-I28 HydrophobicContact CE1-CD1 3.78Å; Y26-K150 WeakPolarHBondContact O-CE 3.43Å
27E97.2Very high97.8Very high166 Ų16648.2 Ų48.278%0.77625%0.249SC*.  trans-92.4120.3176.1-171.9179.9178.200110.9S29E27-S29 PolarHBondContact O-N 3.48Å
28I98.1Very high97.8Very high10 Ų1047.6 Ų47.65%0.05125%0.245CC..  trans-77.4113.1176.7-52.6-61.9000109.7Y26 Y34 T146 I149 K150Y26-I28 HydrophobicContact CD1-CD1 3.68Å; Y26-I28 HydrophobicContact CE1-CD1 3.78Å; I28-Y34 HydrophobicContact CB-CE2 4.2Å; I28-Y34 HydrophobicContact CG2-CD2 4.34Å; I28-Y34 HydrophobicContact CG2-CE2 3.72Å; I28-Y34 WeakPolarHBondContact O-CE2 3.01Å; I28-T146 HydrophobicContact CG1-CG2 4.09Å; I28-I149 HydrophobicContact CD1-CG2 3.77Å; I28-I149 HydrophobicContact CG1-CG2 4.1Å; I28-I149 HydrophobicContact CG2-CD1 3.83Å; I28-I149 HydrophobicContact CG2-CG2 3.96Å; I28-K150 HydrophobicContact CD1-CG 4.25Å; I28-K150 HydrophobicContact CG1-CG 4.33Å
29S95.8Very high97.8Very high107 Ų10748.1 Ų48.175%0.74824%0.243SC*.  trans-110.9-7.3177.8570000114.3E27 K31E27-S29 PolarHBondContact O-N 3.48Å; S29-K31 PolarHBondContact O-N 3.35Å
30S97.9Very high97.7Very high22 Ų2248.1 Ų48.115%0.15424%0.243CC..  trans-71.8115.3-176.21760000112.3V32 A33 Y34 S275 E279S30-V32 VanDerWaalsContact C-N 3.31Å; S30-V32 PolarHBondContact O-N 3.45Å; S30-A33 PolarHBondContact O-N 3.47Å; S30-A33 PolarHBondContact OG-N 3.26Å; S30-A33 VanDerWaalsContact OG-N 3.15Å; S30-Y34 WeakPolarHBondContact O-CD2 3.4Å; S30-Y34 PolarHBondContact O-N 2.88Å; S30-S275 WeakPolarHBondContact CB-OG 3.48Å; S30-E279 WeakPolarHBondContact CB-OE1 3.28Å; S30-E279 PolarHBondContact OG-OE1 2.62Å
31K96.7Very high97.7Very high140 Ų14048.1 Ų48.161%0.60924%0.243SC*.Hα-helixtrans-61.4-40.6173.2-175.5-177.1173.3-174.50111.7S29 A33 Y34 D35S29-K31 PolarHBondContact O-N 3.35Å; K31-A33 VanDerWaalsContact C-N 3.29Å; K31-A33 PolarHBondContact O-N 3.42Å; K31-Y34 PolarHBondContact O-N 3.21Å; K31-D35 WeakPolarHBondContact O-CB 3.41Å; K31-D35 PolarHBondContact O-N 3.19Å
32V96.1Very high97.7Very high81 Ų8146.1 Ų46.149%0.49123%0.233SC..Hα-helixtrans-63.8-37.8179.4179.10000110.8S30 T36 E279S30-V32 VanDerWaalsContact C-N 3.31Å; S30-V32 PolarHBondContact O-N 3.45Å; V32-T36 WeakPolarHBondContact O-CB 3.18Å; V32-T36 PolarHBondContact O-N 2.84Å; V32-T36 PolarHBondContact O-OG1 3.44Å; V32-E279 HydrophobicContact CB-CG 4.18Å; V32-E279 HydrophobicContact CG1-CB 4.23Å; V32-E279 HydrophobicContact CG1-CG 4.02Å
33A98Very high97.7Very high0 Ų045.7 Ų45.70%023%0.231CC..Hα-helixtrans-63.9-45.5174.900000111.7S30 K31 T36 A37 I149 M278 E279S30-A33 PolarHBondContact O-N 3.47Å; S30-A33 PolarHBondContact OG-N 3.26Å; S30-A33 VanDerWaalsContact OG-N 3.15Å; K31-A33 VanDerWaalsContact C-N 3.29Å; K31-A33 PolarHBondContact O-N 3.42Å; A33-T36 PolarHBondContact O-N 2.62Å; A33-A37 VanDerWaalsContact O-CB 3.23Å; A33-A37 WeakPolarHBondContact O-CB 3.34Å; A33-A37 PolarHBondContact O-N 3.35Å; A33-I149 HydrophobicContact CB-CD1 4.03Å; A33-I149 HydrophobicContact CB-CG1 4.35Å; A33-I149 HydrophobicContact CB-CG2 4.21Å; A33-M278 HydrophobicContact CB-CB 4.44Å; A33-M278 HydrophobicContact CB-CG 4.42Å; A33-M278 WeakPolarHBondContact O-CG 3.3Å; A33-E279 HydrophobicContact CB-CG 4.05Å
34Y98.4Very high97.7Very high28 Ų2845.7 Ų45.711%0.1123%0.231CC..Hα-helixtrans-67.6-40.6176.1-78.9-71.4000113.2I28 S30 K31 T36 A37 H38 L145 T146 I149I28-Y34 HydrophobicContact CB-CE2 4.2Å; I28-Y34 HydrophobicContact CG2-CD2 4.34Å; I28-Y34 HydrophobicContact CG2-CE2 3.72Å; I28-Y34 WeakPolarHBondContact O-CE2 3.01Å; S30-Y34 WeakPolarHBondContact O-CD2 3.4Å; S30-Y34 PolarHBondContact O-N 2.88Å; K31-Y34 PolarHBondContact O-N 3.21Å; Y34-T36 VanDerWaalsContact C-N 3.29Å; Y34-T36 PolarHBondContact O-N 2.81Å; Y34-A37 PolarHBondContact O-N 2.97Å; Y34-H38 WeakPolarHBondContact O-CB 3.45Å; Y34-H38 PolarHBondContact O-N 3.38Å; Y34-L145 HydrophobicContact CD1-CB 4.2Å; Y34-L145 HydrophobicContact CE1-CB 4.34Å; Y34-T146 PolarHBondContact OH-OG1 3.26Å; Y34-I149 HydrophobicContact CD1-CD1 3.71Å; Y34-I149 HydrophobicContact CD2-CD1 4.37Å; Y34-I149 HydrophobicContact CE1-CD1 3.81Å; Y34-I149 HydrophobicContact CE2-CD1 4.47Å; Y34-I149 HydrophobicContact CG-CD1 4Å
35D97Very high97.6Very high54 Ų5443 Ų4329%0.28922%0.218SC..Hα-helixtrans-59.1-44173.7-72.7-24.9000110.2K31 Y39 R466K31-D35 WeakPolarHBondContact O-CB 3.41Å; K31-D35 PolarHBondContact O-N 3.19Å; D35-Y39 WeakPolarHBondContact O-CD2 3.33Å; D35-Y39 PolarHBondContact O-N 3.44Å; D35-R466 IonicContact OD1-CZ 2.79Å; D35-R466 VanDerWaalsContact OD1-CZ 3.26Å; D35-R466 IonicContact OD1-NE 2.77Å; D35-R466 IonicContact OD1-NH1 3.7Å; D35-R466 PolarHBondContact OD1-NH1 3.38Å; D35-R466 IonicContact OD1-NH2 3.57Å
36T97.2Very high97.6Very high3 Ų337.4 Ų37.42%0.01819%0.188CC..Hα-helixtrans-72.4-40.8180-53.30000112.3V32 A33 Y34 H38 Y39 C40 M278 V281 F283 R432V32-T36 WeakPolarHBondContact O-CB 3.18Å; V32-T36 PolarHBondContact O-N 2.84Å; V32-T36 PolarHBondContact O-OG1 3.44Å; A33-T36 PolarHBondContact O-N 2.62Å; Y34-T36 VanDerWaalsContact C-N 3.29Å; Y34-T36 PolarHBondContact O-N 2.81Å; T36-H38 VanDerWaalsContact C-N 3.27Å; T36-H38 PolarHBondContact O-N 3.27Å; T36-Y39 PolarHBondContact O-N 2.88Å; T36-C40 VanDerWaalsContact O-CB 3.27Å; T36-C40 WeakPolarHBondContact O-CB 3.49Å; T36-C40 PolarHBondContact O-N 3.2Å; T36-M278 WeakPolarHBondContact CB-O 3.45Å; T36-M278 HydrophobicContact CG2-CG 4.37Å; T36-M278 WeakPolarHBondContact CG2-O 3.45Å; T36-M278 HydrophobicContact CG2-SD 4.1Å; T36-V281 HydrophobicContact CG2-CG1 3.63Å; T36-F283 HydrophobicContact CG2-CE2 3.98Å; T36-F283 HydrophobicContact CG2-CZ 3.68Å; T36-R432 PolarHBondContact OG1-NH1 3.22Å
37A98.3Very high97.6Very high0 Ų033 Ų330%017%0.171CC..Hα-helixtrans-61.1-37.817600000111.8A33 Y34 C40 L41 L145 I149 M278A33-A37 VanDerWaalsContact O-CB 3.23Å; A33-A37 WeakPolarHBondContact O-CB 3.34Å; A33-A37 PolarHBondContact O-N 3.35Å; Y34-A37 PolarHBondContact O-N 2.97Å; A37-C40 PolarHBondContact O-N 3.41Å; A37-L41 WeakPolarHBondContact O-CB 3.31Å; A37-L41 PolarHBondContact O-N 3.03Å; A37-L145 HydrophobicContact CB-CB 4.46Å; A37-L145 HydrophobicContact CB-CD2 4.25Å; A37-I149 HydrophobicContact CB-CD1 4.06Å; A37-I149 HydrophobicContact CB-CG1 3.76Å; A37-M278 HydrophobicContact CB-CE 3.81Å; A37-M278 HydrophobicContact CB-CG 4.13Å; A37-M278 HydrophobicContact CB-SD 3.99Å
38H98.5Very high97.6Very high6 Ų625.2 Ų25.23%0.02814%0.136CC..Hα-helixtrans-59.3-53.4174.6170.8-146.5000111.6Y34 T36 C40 L41 L42 S463 R466 L469Y34-H38 WeakPolarHBondContact O-CB 3.45Å; Y34-H38 PolarHBondContact O-N 3.38Å; T36-H38 VanDerWaalsContact C-N 3.27Å; T36-H38 PolarHBondContact O-N 3.27Å; H38-C40 VanDerWaalsContact C-N 3.33Å; H38-C40 PolarHBondContact O-N 3.02Å; H38-L41 WeakPolarHBondContact O-CB 3.42Å; H38-L41 PolarHBondContact O-N 3.2Å; H38-L42 WeakPolarHBondContact O-CG 3.45Å; H38-L42 PolarHBondContact O-N 3.12Å; H38-S463 PolarHBondContact NE2-O 3.39Å; H38-R466 HydrophobicContact CB-CG 4.06Å; H38-L469 VanDerWaalsContact CD2-CD2 3.49Å; H38-L469 WeakPolarHBondContact CD2-CD2 3.45Å
39Y98.1Very high97.5Very high65 Ų6524.9 Ų24.926%0.25513%0.134SC..Hα-helixtrans-67-34.2177.4-67.5-64.7000112.9D35 T36 L41 L42 D43 I436 L439 V440D35-Y39 WeakPolarHBondContact O-CD2 3.33Å; D35-Y39 PolarHBondContact O-N 3.44Å; T36-Y39 PolarHBondContact O-N 2.88Å; Y39-L41 VanDerWaalsContact C-N 3.32Å; Y39-L41 PolarHBondContact O-N 3.45Å; Y39-L42 HydrophobicContact CD1-CD1 4.44Å; Y39-L42 PolarHBondContact O-N 2.75Å; Y39-D43 WeakPolarHBondContact O-CB 3.47Å; Y39-D43 PolarHBondContact O-N 3.1Å; Y39-I436 HydrophobicContact CD1-CD1 4.06Å; Y39-I436 HydrophobicContact CD1-CG2 3.97Å; Y39-I436 HydrophobicContact CD2-CD1 3.6Å; Y39-I436 HydrophobicContact CD2-CG1 4.24Å; Y39-I436 HydrophobicContact CD2-CG2 4.47Å; Y39-I436 HydrophobicContact CE1-CG2 3.46Å; Y39-I436 VanDerWaalsContact CE1-CG2 3.46Å; Y39-I436 HydrophobicContact CE2-CD1 4.13Å; Y39-I436 HydrophobicContact CE2-CG1 4.28Å; Y39-I436 HydrophobicContact CE2-CG2 4.04Å; Y39-I436 HydrophobicContact CG-CD1 3.57Å; Y39-I436 HydrophobicContact CG-CG2 4.46Å; Y39-L439 HydrophobicContact CD1-CD2 4.32Å; Y39-V440 HydrophobicContact CE1-CG2 4.23Å
40C98.1Very high97.5Very high0 Ų020.3 Ų20.30%010%0.101CC..Hα-helixtrans-60.5-41.3173.6-172.70000111.9T36 A37 H38 L42 D43 T44 M148 M278 F283T36-C40 VanDerWaalsContact O-CB 3.27Å; T36-C40 WeakPolarHBondContact O-CB 3.49Å; T36-C40 PolarHBondContact O-N 3.2Å; A37-C40 PolarHBondContact O-N 3.41Å; H38-C40 VanDerWaalsContact C-N 3.33Å; H38-C40 PolarHBondContact O-N 3.02Å; C40-L42 PolarHBondContact O-N 3.21Å; C40-D43 PolarHBondContact O-N 3.08Å; C40-T44 WeakPolarHBondContact O-CB 3.5Å; C40-T44 PolarHBondContact O-N 3.36Å; C40-T44 PolarHBondContact O-OG1 3.23Å; C40-M148 HydrophobicContact CB-CE 4.21Å; C40-M278 HydrophobicContact CB-SD 4.39Å; C40-F283 HydrophobicContact CB-CE1 3.65Å; C40-F283 HydrophobicContact CB-CZ 3.99Å
41L98.5Very high97.4Very high0 Ų019.3 Ų19.30%09%0.093CC..Hα-helixtrans-59.9-45.7174.5177.171.3000111.4A37 H38 Y39 T44 L45 L117 M141 L145 M148 L469 Y477A37-L41 WeakPolarHBondContact O-CB 3.31Å; A37-L41 PolarHBondContact O-N 3.03Å; H38-L41 WeakPolarHBondContact O-CB 3.42Å; H38-L41 PolarHBondContact O-N 3.2Å; Y39-L41 VanDerWaalsContact C-N 3.32Å; Y39-L41 PolarHBondContact O-N 3.45Å; L41-T44 PolarHBondContact O-N 3.21Å; L41-L45 HydrophobicContact CD1-CD1 3.91Å; L41-L45 HydrophobicContact CD1-CG 4.22Å; L41-L45 HydrophobicContact CG-CD1 4.05Å; L41-L45 WeakPolarHBondContact O-CB 3.47Å; L41-L45 WeakPolarHBondContact O-CG 3.39Å; L41-L45 PolarHBondContact O-N 3.01Å; L41-L117 HydrophobicContact CD1-CD1 4.05Å; L41-L117 HydrophobicContact CD1-CD2 3.74Å; L41-M141 HydrophobicContact CD1-CE 4.35Å; L41-M141 HydrophobicContact CD2-CE 3.57Å; L41-L145 HydrophobicContact CB-CD2 4.13Å; L41-L145 HydrophobicContact CD2-CD2 4.01Å; L41-M148 HydrophobicContact CB-CE 4.08Å; L41-M148 HydrophobicContact CB-SD 4.19Å; L41-M148 HydrophobicContact CD1-SD 4.08Å; L41-L469 HydrophobicContact CD2-CD2 4.02Å; L41-Y477 HydrophobicContact CD2-CE1 4.4Å
42L98.2Very high97.3Very high0 Ų013 Ų130%07%0.066CC..Hα-helixtrans-64-48180-58.6-171000111.7H38 Y39 C40 T44 L45 G46 L439 F443 L464H38-L42 WeakPolarHBondContact O-CG 3.45Å; H38-L42 PolarHBondContact O-N 3.12Å; Y39-L42 HydrophobicContact CD1-CD1 4.44Å; Y39-L42 PolarHBondContact O-N 2.75Å; C40-L42 PolarHBondContact O-N 3.21Å; L42-T44 VanDerWaalsContact C-N 3.31Å; L42-T44 PolarHBondContact O-N 2.84Å; L42-L45 PolarHBondContact O-N 3.01Å; L42-G46 PolarHBondContact O-N 3.14Å; L42-L439 HydrophobicContact CB-CD2 4.3Å; L42-F443 HydrophobicContact CB-CD1 4.39Å; L42-F443 HydrophobicContact CB-CD2 4.4Å; L42-F443 HydrophobicContact CB-CG 4.24Å; L42-F443 HydrophobicContact CD2-CE1 4.08Å; L42-F443 HydrophobicContact CD2-CZ 4.2Å; L42-F443 WeakPolarHBondContact O-CD2 3.31Å; L42-L464 HydrophobicContact CD1-CD2 3.88Å
43D97.7Very high97Very high1 Ų113.1 Ų13.11%0.0056%0.062CC..Hα-helixtrans-61.3-42.6179-16838.4000111.5Y39 C40 G46 C47 N102 L439 K442Y39-D43 WeakPolarHBondContact O-CB 3.47Å; Y39-D43 PolarHBondContact O-N 3.1Å; C40-D43 PolarHBondContact O-N 3.08Å; D43-G46 PolarHBondContact O-N 3.08Å; D43-C47 WeakPolarHBondContact O-CB 3.49Å; D43-C47 PolarHBondContact O-N 3.02Å; D43-N102 WeakPolarHBondContact OD2-CA 3.24Å; D43-L439 HydrophobicContact CB-CD1 3.89Å; D43-L439 HydrophobicContact CB-CD2 4.11Å; D43-L439 HydrophobicContact CB-CG 3.92Å; D43-K442 WeakPolarHBondContact OD1-CE 3.31Å; D43-K442 IonicContact OD1-NZ 2.81Å; D43-K442 PolarHBondContact OD1-NZ 3.28Å; D43-K442 IonicContact OD2-NZ 3.32Å
44T98Very high96.7Very high0 Ų014.6 Ų14.60%07%0.067CC..Hα-helixtrans-66.6-46.4-179.8-61.30000112.3C40 L41 L42 C47 G48 I96 S114 L117C40-T44 WeakPolarHBondContact O-CB 3.5Å; C40-T44 PolarHBondContact O-N 3.36Å; C40-T44 PolarHBondContact O-OG1 3.23Å; L41-T44 PolarHBondContact O-N 3.21Å; L42-T44 VanDerWaalsContact C-N 3.31Å; L42-T44 PolarHBondContact O-N 2.84Å; T44-C47 PolarHBondContact O-N 2.94Å; T44-G48 PolarHBondContact O-N 2.8Å; T44-I96 HydrophobicContact CG2-CB 4.16Å; T44-I96 HydrophobicContact CG2-CD1 3.54Å; T44-I96 HydrophobicContact CG2-CG1 3.55Å; T44-I96 HydrophobicContact CG2-CG2 3.58Å; T44-S114 VanDerWaalsContact OG1-CB 3.28Å; T44-S114 WeakPolarHBondContact OG1-CB 3.33Å; T44-L117 HydrophobicContact CG2-CB 4.36Å; T44-L117 HydrophobicContact CG2-CD2 3.49Å; T44-L117 VanDerWaalsContact CG2-CD2 3.49Å
45L97.5Very high96.3Very high9 Ų917.8 Ų17.85%0.0479%0.092CC..Hα-helixtrans-66.8-39.9175.4-70.1175.8000111.3L41 L42 G48 L49 P77 L121 F443 Y477 Y481L41-L45 HydrophobicContact CD1-CD1 3.91Å; L41-L45 HydrophobicContact CD1-CG 4.22Å; L41-L45 HydrophobicContact CG-CD1 4.05Å; L41-L45 WeakPolarHBondContact O-CB 3.47Å; L41-L45 WeakPolarHBondContact O-CG 3.39Å; L41-L45 PolarHBondContact O-N 3.01Å; L42-L45 PolarHBondContact O-N 3.01Å; L45-G48 PolarHBondContact O-N 2.89Å; L45-L49 WeakPolarHBondContact O-CG 3.47Å; L45-L49 PolarHBondContact O-N 2.81Å; L45-P77 HydrophobicContact CD2-CG 4.49Å; L45-L121 HydrophobicContact CD2-CD2 3.95Å; L45-F443 HydrophobicContact CB-CE2 4.41Å; L45-Y477 HydrophobicContact CD1-CE1 3.85Å; L45-Y481 HydrophobicContact CD1-CE2 4.43Å
46G97.1Very high96.1Very high1 Ų117.2 Ų17.21%0.019%0.094CC..Hα-helixtrans-59-46.7174.600000112.5L42 D43 G48 L49 E50 N446L42-G46 PolarHBondContact O-N 3.14Å; D43-G46 PolarHBondContact O-N 3.08Å; G46-G48 VanDerWaalsContact C-N 3.33Å; G46-G48 PolarHBondContact O-N 2.86Å; G46-L49 PolarHBondContact O-N 2.94Å; G46-E50 PolarHBondContact O-N 3.24Å; G46-E50 VanDerWaalsContact O-N 3.13Å; G46-N446 VanDerWaalsContact O-CB 3.24Å; G46-N446 WeakPolarHBondContact O-CB 3.37Å; G46-N446 PolarHBondContact O-ND2 2.85Å
47C96.8Very high95.9Very high0 Ų017.1 Ų17.10%09%0.094CC..Hα-helixtrans-58.5-45.1174-178.30000111.3D43 T44 L49 E50 A51 I96 N102D43-C47 WeakPolarHBondContact O-CB 3.49Å; D43-C47 PolarHBondContact O-N 3.02Å; T44-C47 PolarHBondContact O-N 2.94Å; C47-L49 VanDerWaalsContact C-N 3.31Å; C47-L49 PolarHBondContact O-N 2.81Å; C47-E50 PolarHBondContact O-N 3.03Å; C47-A51 PolarHBondContact O-N 2.63Å; C47-I96 PolarHBondContact SG-O 2.92Å; C47-I96 VanDerWaalsContact SG-O 3.37Å; C47-N102 HydrophobicContact CB-CB 4.03Å
48G97Very high95.6Very high3 Ų321.8 Ų21.83%0.03111%0.114CC..Hα-helixtrans-61.5-34.6177.200000114.4T44 L45 G46 A51 M95T44-G48 PolarHBondContact O-N 2.8Å; L45-G48 PolarHBondContact O-N 2.89Å; G46-G48 VanDerWaalsContact C-N 3.33Å; G46-G48 PolarHBondContact O-N 2.86Å; G48-A51 WeakPolarHBondContact O-CB 3.1Å; G48-A51 PolarHBondContact O-N 3.34Å; G48-M95 WeakPolarHBondContact O-CE 3.21Å
49L96.4Very high95.3Very high2 Ų229.2 Ų29.21%0.0115%0.146CC..Hα-helixtrans-72.7-34.1175.6-67.7172.2000112.7L45 G46 C47 A51 L52 L447 Q450 F451 Y481L45-L49 WeakPolarHBondContact O-CG 3.47Å; L45-L49 PolarHBondContact O-N 2.81Å; G46-L49 PolarHBondContact O-N 2.94Å; C47-L49 VanDerWaalsContact C-N 3.31Å; C47-L49 PolarHBondContact O-N 2.81Å; L49-A51 VanDerWaalsContact C-N 3.34Å; L49-L52 HydrophobicContact CD2-CD1 4.4Å; L49-L52 WeakPolarHBondContact O-CB 3.49Å; L49-L52 PolarHBondContact O-N 3.15Å; L49-L447 HydrophobicContact CD1-CD2 3.65Å; L49-L447 HydrophobicContact CD1-CG 4.46Å; L49-Q450 HydrophobicContact CB-CG 4.05Å; L49-Q450 HydrophobicContact CD2-CB 4.34Å; L49-Q450 HydrophobicContact CD2-CG 4Å; L49-Q450 PolarHBondContact O-NE2 3.44Å; L49-Q450 VanDerWaalsContact O-NE2 3.13Å; L49-F451 HydrophobicContact CD1-CE2 3.87Å; L49-F451 HydrophobicContact CD2-CE2 3.74Å; L49-F451 HydrophobicContact CD2-CZ 4.08Å; L49-F451 HydrophobicContact CG-CE2 4.48Å; L49-Y481 HydrophobicContact CD1-CD1 4.24Å; L49-Y481 HydrophobicContact CD1-CE1 4.11Å; L49-Y481 HydrophobicContact CD2-CD1 4.42Å
50E96.3Very high95.2Very high12 Ų1229.2 Ų29.26%0.05615%0.15CC..Hα-helixtrans-67.6-36173.1-170.9176.1176.400111.7G46 C47 L52 E53 L99 N446 R449G46-E50 PolarHBondContact O-N 3.24Å; G46-E50 VanDerWaalsContact O-N 3.13Å; C47-E50 PolarHBondContact O-N 3.03Å; E50-L52 PolarHBondContact O-N 2.78Å; E50-L52 VanDerWaalsContact O-N 3.12Å; E50-E53 WeakPolarHBondContact O-CB 3.48Å; E50-E53 PolarHBondContact O-N 3.28Å; E50-L99 HydrophobicContact CB-CD1 3.74Å; E50-L99 HydrophobicContact CG-CD1 3.56Å; E50-N446 HydrophobicContact CB-CB 4.47Å; E50-N446 PolarHBondContact OE2-ND2 3.3Å; E50-N446 PolarHBondContact OE2-OD1 3.47Å; E50-R449 IonicContact OE1-NH2 2.79Å
51A96Very high95Very high0 Ų030.1 Ų30.10%016%0.155CC..Hα-helixtrans-58.1-26.5176.500000113.2C47 G48 L49 E53 Y54 C57 M95 W98 L99C47-A51 PolarHBondContact O-N 2.63Å; G48-A51 WeakPolarHBondContact O-CB 3.1Å; G48-A51 PolarHBondContact O-N 3.34Å; L49-A51 VanDerWaalsContact C-N 3.34Å; A51-E53 PolarHBondContact O-N 3.27Å; A51-Y54 PolarHBondContact O-N 2.79Å; A51-Y54 VanDerWaalsContact O-N 3.09Å; A51-C57 WeakPolarHBondContact O-CB 3.27Å; A51-M95 WeakPolarHBondContact CB-O 3.5Å; A51-W98 HydrophobicContact CB-CB 3.67Å; A51-W98 HydrophobicContact CB-CG 4.14Å; A51-L99 HydrophobicContact CB-CD1 4.35Å; A51-L99 HydrophobicContact CB-CG 4.29Å
52L93.6Very high94.7Very high7 Ų730.3 Ų30.34%0.03716%0.157CC..THydrogen-bonded Turntrans-69.5-12.2176.6-62.6177.6000113.5L49 E50 Y54 K58 L61 T79 M95 Q450L49-L52 HydrophobicContact CD2-CD1 4.4Å; L49-L52 WeakPolarHBondContact O-CB 3.49Å; L49-L52 PolarHBondContact O-N 3.15Å; E50-L52 PolarHBondContact O-N 2.78Å; E50-L52 VanDerWaalsContact O-N 3.12Å; L52-Y54 PolarHBondContact O-N 3.01Å; L52-K58 HydrophobicContact CD2-CG 4.35Å; L52-K58 WeakPolarHBondContact O-CD 3.47Å; L52-K58 WeakPolarHBondContact O-CE 3.39Å; L52-K58 PolarHBondContact O-NZ 2.94Å; L52-L61 HydrophobicContact CD2-CD1 3.62Å; L52-T79 HydrophobicContact CD1-CG2 4.19Å; L52-T79 HydrophobicContact CD2-CG2 3.9Å; L52-M95 HydrophobicContact CD1-CE 3.98Å; L52-M95 HydrophobicContact CD2-CE 4Å; L52-M95 HydrophobicContact CD2-CG 4.3Å; L52-M95 HydrophobicContact CD2-SD 4.17Å; L52-M95 HydrophobicContact CG-CE 3.99Å; L52-Q450 HydrophobicContact CD1-CG 4.32Å
53E91Very high94.3Very high85 Ų8531.8 Ų31.840%0.39717%0.167SC..THydrogen-bonded Turntrans-71.2-21170.6-63.1-60.194.300111.9E50 A51 P55 R449 Q450E50-E53 WeakPolarHBondContact O-CB 3.48Å; E50-E53 PolarHBondContact O-N 3.28Å; A51-E53 PolarHBondContact O-N 3.27Å; E53-P55 WeakPolarHBondContact O-CD 3.44Å; E53-R449 HydrophobicContact CG-CB 4.42Å; E53-Q450 PolarHBondContact OE1-NE2 2.8Å
54Y92Very high94Very high30 Ų3038.3 Ų38.312%0.11820%0.2CC..  trans-96.1114.1-173-62.8-98.1000110.9A51 L52 A56 C57 K58 L99 A363 A364A51-Y54 PolarHBondContact O-N 2.79Å; A51-Y54 VanDerWaalsContact O-N 3.09Å; L52-Y54 PolarHBondContact O-N 3.01Å; Y54-A56 PolarHBondContact O-N 2.91Å; Y54-A56 VanDerWaalsContact O-N 3.14Å; Y54-C57 WeakPolarHBondContact O-CB 3.15Å; Y54-C57 PolarHBondContact O-N 3.4Å; Y54-K58 PolarHBondContact O-N 2.95Å; Y54-K58 VanDerWaalsContact O-N 3.15Å; Y54-L99 HydrophobicContact CD2-CD1 4.47Å; Y54-L99 HydrophobicContact CD2-CD2 3.82Å; Y54-L99 HydrophobicContact CE1-CD2 4.37Å; Y54-L99 HydrophobicContact CE2-CD1 4.01Å; Y54-L99 HydrophobicContact CE2-CD2 3.59Å; Y54-L99 HydrophobicContact CE2-CG 4.41Å; Y54-L99 HydrophobicContact CG-CD2 4.35Å; Y54-A363 VanDerWaalsContact OH-C 3.3Å; Y54-A363 WeakPolarHBondContact OH-CB 3.49Å; Y54-A364 PolarHBondContact OH-N 2.82Å
55P90Very high93.3Very high96 Ų9642.7 Ų42.762%0.62323%0.227SC*.Hα-helixtrans-57.2-31.3178.6-26.135.7000113.4E53 C57 K58 K59E53-P55 WeakPolarHBondContact O-CD 3.44Å; P55-C57 VanDerWaalsContact C-N 3.28Å; P55-C57 PolarHBondContact O-N 2.75Å; P55-K58 PolarHBondContact O-N 3.24Å; P55-K59 PolarHBondContact O-N 3.17Å
56A91.5Very high92.3Very high42 Ų4247.8 Ų47.835%0.34726%0.26SS..Hα-helixtrans-64.3-30.1176.700000113.3Y54 K59 W98Y54-A56 PolarHBondContact O-N 2.91Å; Y54-A56 VanDerWaalsContact O-N 3.14Å; A56-K59 WeakPolarHBondContact O-CG 3.44Å; A56-W98 HydrophobicContact CB-CH2 4.42Å; A56-W98 HydrophobicContact CB-CZ2 3.71Å; A56-W98 WeakPolarHBondContact O-CH2 3.2Å; A56-W98 WeakPolarHBondContact O-CZ2 3.39Å
57C94.4Very high90.6Very high1 Ų149.9 Ų49.91%0.00728%0.282CS..Hα-helixtrans-74.5-56.2170.3-172.60000109.6A51 Y54 P55 K59 L60 W98A51-C57 WeakPolarHBondContact O-CB 3.27Å; Y54-C57 WeakPolarHBondContact O-CB 3.15Å; Y54-C57 PolarHBondContact O-N 3.4Å; P55-C57 VanDerWaalsContact C-N 3.28Å; P55-C57 PolarHBondContact O-N 2.75Å; C57-K59 VanDerWaalsContact C-N 3.25Å; C57-K59 PolarHBondContact O-N 3.35Å; C57-K59 VanDerWaalsContact O-N 3.12Å; C57-L60 PolarHBondContact O-N 2.95Å; C57-W98 HydrophobicContact CB-CD2 3.48Å; C57-W98 VanDerWaalsContact CB-CD2 3.48Å; C57-W98 VanDerWaalsContact CB-CE2 3.44Å; C57-W98 HydrophobicContact CB-CE3 3.99Å; C57-W98 HydrophobicContact CB-CG 3.77Å; C57-W98 HydrophobicContact CB-CH2 4.4Å; C57-W98 HydrophobicContact CB-CZ2 3.95Å; C57-W98 HydrophobicContact CB-CZ3 4.41Å
58K91.7Very high89.7Confident97 Ų9753 Ų5342%0.42230%0.301SS..Hα-helixtrans-52.4-39.6-174.2-75.6-173.6-76.4-146.70113.5L52 Y54 P55 L60 L61L52-K58 HydrophobicContact CD2-CG 4.35Å; L52-K58 WeakPolarHBondContact O-CD 3.47Å; L52-K58 WeakPolarHBondContact O-CE 3.39Å; L52-K58 PolarHBondContact O-NZ 2.94Å; Y54-K58 PolarHBondContact O-N 2.95Å; Y54-K58 VanDerWaalsContact O-N 3.15Å; P55-K58 PolarHBondContact O-N 3.24Å; K58-L60 PolarHBondContact O-N 3.35Å; K58-L61 WeakPolarHBondContact O-CB 3.38Å; K58-L61 PolarHBondContact O-N 2.69Å
59K92Very high88.6Confident163 Ų16358.3 Ų58.371%0.70933%0.332SS*.THydrogen-bonded Turntrans-65.2-17.6-17973-177.7-177.1-177.50114.7P55 A56 C57P55-K59 PolarHBondContact O-N 3.17Å; A56-K59 WeakPolarHBondContact O-CG 3.44Å; C57-K59 VanDerWaalsContact C-N 3.25Å; C57-K59 PolarHBondContact O-N 3.35Å; C57-K59 VanDerWaalsContact O-N 3.12Å
60L94.9Very high88Confident64 Ų6459.6 Ų59.634%0.33534%0.34SS..THydrogen-bonded Turntrans-93.2-9.1176.7-58.8179.6000112.3C57 K58 W98 W223C57-L60 PolarHBondContact O-N 2.95Å; K58-L60 PolarHBondContact O-N 3.35Å; L60-W98 HydrophobicContact CD1-CH2 3.81Å; L60-W98 HydrophobicContact CD1-CZ3 3.66Å; L60-W223 HydrophobicContact CD1-CG 4.22Å
61L95.5Very high87.4Confident20 Ų2063.9 Ų63.911%0.10537%0.369CS..  trans-91.2158.8-178.8-50.2-178.9000110.8L52 K58 T79 F81 N91 A94 M95L52-L61 HydrophobicContact CD2-CD1 3.62Å; K58-L61 WeakPolarHBondContact O-CB 3.38Å; K58-L61 PolarHBondContact O-N 2.69Å; L61-T79 HydrophobicContact CD1-CG2 4.47Å; L61-F81 HydrophobicContact CB-CD2 4.41Å; L61-F81 HydrophobicContact CB-CE2 3.88Å; L61-N91 HydrophobicContact CD2-CB 3.99Å; L61-A94 HydrophobicContact CD2-CB 4.43Å; L61-M95 HydrophobicContact CD1-CG 3.77Å; L61-M95 HydrophobicContact CD1-SD 3.99Å; L61-M95 HydrophobicContact CD2-CG 4.1Å
62G91.7Very high87.1Confident3 Ų367.1 Ų67.13%0.03139%0.387CS..SBendtrans118.1-172.5178.200000113.2Q87 N91G62-Q87 WeakPolarHBondContact O-CG 3.26Å; G62-Q87 PolarHBondContact O-NE2 3.38Å; G62-N91 PolarHBondContact N-ND2 3.22Å; G62-N91 PolarHBondContact O-ND2 3.17Å
63P89.4Confident87.1Confident32 Ų3266.8 Ų66.821%0.20839%0.385CS..  trans-74.1148.417131.7-33.5000110.8V65 L83P63-V65 VanDerWaalsContact C-N 3.29Å; P63-V65 WeakPolarHBondContact CB-O 3.26Å; P63-V65 PolarHBondContact O-N 3.02Å; P63-L83 HydrophobicContact CB-CD2 3.68Å; P63-L83 HydrophobicContact CG-CD2 4.27Å
64I91.7Very high87.4Confident138 Ų13862.8 Ų62.871%0.70837%0.366SS*.SBendtrans-58.6-44.1174.7-62.5177.3000110.8Q87I64-Q87 HydrophobicContact CG1-CG 4.35Å
65V83.8Confident87.4Confident92 Ų9264.1 Ų64.156%0.55837%0.371SS*.SBendtrans-103.9112173.7179.80000107.9P63 G67 T68P63-V65 VanDerWaalsContact C-N 3.29Å; P63-V65 WeakPolarHBondContact CB-O 3.26Å; P63-V65 PolarHBondContact O-N 3.02Å; V65-G67 PolarHBondContact O-N 2.92Å; V65-T68 WeakPolarHBondContact CB-OG1 3.49Å; V65-T68 WeakPolarHBondContact O-CB 3.46Å; V65-T68 PolarHBondContact O-N 3.03Å; V65-T68 VanDerWaalsContact O-N 3.12Å; V65-T68 PolarHBondContact O-OG1 3.48Å
66P76.1Confident87.7Confident116 Ų11659.6 Ų59.675%0.75334%0.341SS*.THydrogen-bonded Turntrans-50.1138176.5-28.936.3000112.1T68P66-T68 VanDerWaalsContact C-N 3.32Å; P66-T68 PolarHBondContact O-N 3.4Å
67G60.7Low87.8Confident45 Ų4557.9 Ų57.946%0.46433%0.327SS..THydrogen-bonded Turntrans83.6-3.2-177.600000115.4V65 V69V65-G67 PolarHBondContact O-N 2.92Å; G67-V69 PolarHBondContact O-N 3.33Å
68T77.6Confident87.6Confident66 Ų6658.7 Ų58.741%0.40534%0.335SS..  trans-59.2129.3173.6-61.30000110.8V65 P66 V70V65-T68 WeakPolarHBondContact CB-OG1 3.49Å; V65-T68 WeakPolarHBondContact O-CB 3.46Å; V65-T68 PolarHBondContact O-N 3.03Å; V65-T68 VanDerWaalsContact O-N 3.12Å; V65-T68 PolarHBondContact O-OG1 3.48Å; P66-T68 VanDerWaalsContact C-N 3.32Å; P66-T68 PolarHBondContact O-N 3.4Å; T68-V70 HydrophobicContact CG2-CG2 4.01Å
69V73.7Confident87.4Confident113 Ų11354.9 Ų54.969%0.68532%0.32SS*.  trans-112.6126174.4-179.80000108.6G67 P71G67-V69 PolarHBondContact O-N 3.33Å; V69-P71 WeakPolarHBondContact O-CD 3.47Å
70V85.1Confident86.7Confident30 Ų3054.4 Ų54.418%0.18232%0.32CS..  trans-113.8100.9177-174.10000109T68 N72 G73 D84T68-V70 HydrophobicContact CG2-CG2 4.01Å; V70-N72 PolarHBondContact O-N 3.32Å; V70-G73 PolarHBondContact O-N 2.83Å; V70-D84 HydrophobicContact CG1-CB 4.37Å; V70-D84 HydrophobicContact CG2-CB 4.29Å
71P82.6Confident86.4Confident102 Ų10253.5 Ų53.566%0.66231%0.314SS*.THydrogen-bonded Turntrans-55.1132.3175.6-23.933.8000110.6V69 G73V69-P71 WeakPolarHBondContact O-CD 3.47Å; P71-G73 PolarHBondContact O-N 3.27Å
72N89.9Confident86.1Confident68 Ų6855.6 Ų55.636%0.36432%0.323SS..THydrogen-bonded Turntrans53.323.5-175.7-50.4-38.5000113.9V70 R129 N130 A133V70-N72 PolarHBondContact O-N 3.32Å; N72-R129 HydrophobicContact CB-CB 4.18Å; N72-N130 PolarHBondContact O-ND2 3.31Å; N72-A133 VanDerWaalsContact ND2-CB 3.34Å; N72-A133 WeakPolarHBondContact ND2-CB 3.43Å
73G94.2Very high86.2Confident0 Ų055.6 Ų55.60%032%0.323CS..PPolyproline II helixtrans-69.1171173.800000112.5V70 P71 Q82 L83 R129V70-G73 PolarHBondContact O-N 2.83Å; P71-G73 PolarHBondContact O-N 3.27Å; G73-Q82 WeakPolarHBondContact O-CG 3.46Å; G73-Q82 PolarHBondContact O-NE2 3.27Å; G73-L83 CarbonylContact C-O 3.33Å; G73-L83 WeakPolarHBondContact CA-O 3.39Å; G73-R129 WeakPolarHBondContact O-CD 3.46Å
74V97Very high86.6Confident0 Ų056.9 Ų56.90%033%0.327CS..EExtended strand (participates in β ladder)trans-71.3134.7-179.8-178.10000110.9Q82 L83 P85 A88 I92 A122 D125 W126V74-Q82 CarbonylContact O-C 3.58Å; V74-Q82 WeakPolarHBondContact O-CA 3.24Å; V74-L83 PolarHBondContact N-O 2.89Å; V74-L83 PolarHBondContact O-N 3.06Å; V74-P85 HydrophobicContact CG2-CB 4.2Å; V74-A88 HydrophobicContact CB-CB 3.37Å; V74-A88 HydrophobicContact CG1-CB 3.5Å; V74-A88 VanDerWaalsContact CG1-CB 3.5Å; V74-A88 HydrophobicContact CG2-CB 3.79Å; V74-I92 HydrophobicContact CG1-CD1 4.15Å; V74-A122 HydrophobicContact CG1-CB 4.28Å; V74-A122 HydrophobicContact CG2-CB 4.32Å; V74-A122 WeakPolarHBondContact CG2-O 3.39Å; V74-D125 VanDerWaalsContact CA-OD2 3.23Å; V74-D125 WeakPolarHBondContact CA-OD2 3.41Å; V74-D125 HydrophobicContact CG1-CB 4.15Å; V74-W126 HydrophobicContact CG2-CB 3.59Å
75R93Very high86.9Confident59 Ų5950.8 Ų50.822%0.22330%0.297CS..EExtended strand (participates in β ladder)trans-92.6116.8173.4-75-168.9-178.9171.2-3110.7P77 Q82 D125 L478 D479R75-P77 WeakPolarHBondContact O-CD 3.41Å; R75-Q82 HydrophobicContact CG-CB 4.39Å; R75-Q82 HydrophobicContact CG-CG 4.19Å; R75-D125 PolarHBondContact N-OD2 3.32Å; R75-L478 WeakPolarHBondContact O-CD2 3.3Å; R75-D479 WeakPolarHBondContact CD-OD1 3.35Å; R75-D479 IonicContact CZ-OD1 3.64Å; R75-D479 IonicContact NE-OD1 2.68Å; R75-D479 IonicContact NH1-OD1 2.78Å; R75-D479 PolarHBondContact NH1-OD1 3.37Å; R75-D479 IonicContact NH1-OD2 3.61Å; R75-D479 PolarHBondContact NH1-OD2 3.34Å
76V95.1Very high87.6Confident0 Ų047.9 Ų47.90%028%0.279CS..PPolyproline II helixtrans-75121.5178.4179.90000109.6T79 F81 L83 A88 N91 I92 M95 K482V76-T79 WeakPolarHBondContact CB-OG1 3.22Å; V76-T79 HydrophobicContact CG1-CG2 4.03Å; V76-T79 PolarHBondContact O-N 2.87Å; V76-T79 PolarHBondContact O-OG1 3.39Å; V76-F81 HydrophobicContact CB-CB 4.38Å; V76-F81 HydrophobicContact CG2-CB 4.31Å; V76-F81 PolarHBondContact N-O 3.25Å; V76-F81 VanDerWaalsContact N-O 3.15Å; V76-L83 HydrophobicContact CG2-CD1 3.87Å; V76-L83 HydrophobicContact CG2-CG 4.48Å; V76-A88 HydrophobicContact CG2-CB 4.43Å; V76-N91 HydrophobicContact CG1-CB 4.15Å; V76-N91 HydrophobicContact CG2-CB 3.97Å; V76-I92 HydrophobicContact CG1-CG1 4.16Å; V76-I92 HydrophobicContact CG2-CG1 4.45Å; V76-M95 HydrophobicContact CG1-SD 3.53Å; V76-M95 VanDerWaalsContact CG1-SD 3.53Å; V76-K482 PolarHBondContact O-NZ 2.83Å
77P93.7Very high88.7Confident6 Ų643.5 Ų43.54%0.03925%0.249CC..THydrogen-bonded Turntrans-54.1141.9-177.8-28.136.5000113.2L45 R75 T79 M95 L478 Y481L45-P77 HydrophobicContact CD2-CG 4.49Å; R75-P77 WeakPolarHBondContact O-CD 3.41Å; P77-T79 PolarHBondContact O-N 2.99Å; P77-M95 WeakPolarHBondContact O-CE 3.4Å; P77-L478 HydrophobicContact CG-CD2 4.36Å; P77-Y481 HydrophobicContact CB-CD1 4.24Å; P77-Y481 HydrophobicContact CB-CG 4.05Å
78G89.6Confident90.5Very high18 Ų1841.3 Ų41.319%0.18623%0.227CC..THydrogen-bonded Turntrans71.6-4.4176.200000115.9Y481G78-Y481 PolarHBondContact N-O 3.47Å; G78-Y481 VanDerWaalsContact N-O 3.11Å
79T88Confident91.5Very high18 Ų1838.2 Ų38.211%0.1121%0.207CC..SBendtrans-114179.6178.472.80000111.3L52 L61 V76 P77 F81 K482L52-T79 HydrophobicContact CD1-CG2 4.19Å; L52-T79 HydrophobicContact CD2-CG2 3.9Å; L61-T79 HydrophobicContact CD1-CG2 4.47Å; V76-T79 WeakPolarHBondContact CB-OG1 3.22Å; V76-T79 HydrophobicContact CG1-CG2 4.03Å; V76-T79 PolarHBondContact O-N 2.87Å; V76-T79 PolarHBondContact O-OG1 3.39Å; P77-T79 PolarHBondContact O-N 2.99Å; T79-F81 HydrophobicContact CG2-CD2 4.07Å; T79-F81 HydrophobicContact CG2-CE2 4.44Å; T79-F81 PolarHBondContact OG1-N 2.66Å; T79-F81 VanDerWaalsContact OG1-N 3.17Å; T79-K482 WeakPolarHBondContact O-CD 3.37Å; T79-K482 WeakPolarHBondContact O-CE 3.39Å; T79-K482 PolarHBondContact O-NZ 3Å
80Q78.4Confident92.7Very high152 Ų15234.3 Ų34.371%0.7118%0.181SC*.SBendtrans-88.8-8.5167.973.9-77.625.200113.2
81F87.7Confident93.3Very high45 Ų4532.9 Ų32.920%0.19717%0.172CC..  trans-72.6140.2-168.3-57.7-54.2000113.5L61 V76 T79 L83 K482L61-F81 HydrophobicContact CB-CD2 4.41Å; L61-F81 HydrophobicContact CB-CE2 3.88Å; V76-F81 HydrophobicContact CB-CB 4.38Å; V76-F81 HydrophobicContact CG2-CB 4.31Å; V76-F81 PolarHBondContact N-O 3.25Å; V76-F81 VanDerWaalsContact N-O 3.15Å; T79-F81 HydrophobicContact CG2-CD2 4.07Å; T79-F81 HydrophobicContact CG2-CE2 4.44Å; T79-F81 PolarHBondContact OG1-N 2.66Å; T79-F81 VanDerWaalsContact OG1-N 3.17Å; F81-L83 HydrophobicContact CB-CD1 4.01Å; F81-L83 HydrophobicContact CB-CD2 4.23Å; F81-L83 HydrophobicContact CB-CG 3.99Å; F81-K482 PolarHBondContact O-NZ 2.89Å
82Q88.8Confident94.1Very high64 Ų6428.2 Ų28.230%0.29914%0.142SC..EExtended strand (participates in β ladder)trans-130114.7166.6-175.4170.13.500109.1G73 V74 R75G73-Q82 WeakPolarHBondContact O-CG 3.46Å; G73-Q82 PolarHBondContact O-NE2 3.27Å; V74-Q82 CarbonylContact O-C 3.58Å; V74-Q82 WeakPolarHBondContact O-CA 3.24Å; R75-Q82 HydrophobicContact CG-CB 4.39Å; R75-Q82 HydrophobicContact CG-CG 4.19Å
83L95.2Very high94.5Very high4 Ų425 Ų252%0.02113%0.125CC..EExtended strand (participates in β ladder)trans-131.6167.9-161.7-54.1175.6000112.1P63 G73 V74 V76 F81 Q87 A88 N91P63-L83 HydrophobicContact CB-CD2 3.68Å; P63-L83 HydrophobicContact CG-CD2 4.27Å; G73-L83 CarbonylContact C-O 3.33Å; G73-L83 WeakPolarHBondContact CA-O 3.39Å; V74-L83 PolarHBondContact N-O 2.89Å; V74-L83 PolarHBondContact O-N 3.06Å; V76-L83 HydrophobicContact CG2-CD1 3.87Å; V76-L83 HydrophobicContact CG2-CG 4.48Å; F81-L83 HydrophobicContact CB-CD1 4.01Å; F81-L83 HydrophobicContact CB-CD2 4.23Å; F81-L83 HydrophobicContact CB-CG 3.99Å; L83-Q87 HydrophobicContact CB-CB 4.47Å; L83-Q87 HydrophobicContact CD1-CG 4.04Å; L83-A88 HydrophobicContact CB-CB 4.17Å; L83-N91 WeakPolarHBondContact CD1-ND2 3.48Å
84D97.4Very high94.7Very high58 Ų5825 Ų2531%0.3113%0.125SC..  trans-66.2156.5167.870.386.9000110.4V70 V86 Q87 A88V70-D84 HydrophobicContact CG1-CB 4.37Å; V70-D84 HydrophobicContact CG2-CB 4.29Å; D84-V86 PolarHBondContact O-N 3.12Å; D84-V86 WeakPolarHBondContact OD1-CB 3.39Å; D84-V86 PolarHBondContact OD1-N 3.48Å; D84-Q87 PolarHBondContact O-N 3.35Å; D84-Q87 PolarHBondContact OD1-N 2.8Å; D84-Q87 WeakPolarHBondContact OD2-CB 3.28Å; D84-A88 VanDerWaalsContact O-CB 3.24Å; D84-A88 WeakPolarHBondContact O-CB 3.38Å; D84-A88 PolarHBondContact O-N 2.99Å
85P98.2Very high94.7Very high10 Ų1025.2 Ų25.27%0.06513%0.126CC..Hα-helixtrans-63.7-25.5-172.425.4-36.3000114V74 A89 W126 V233 L237V74-P85 HydrophobicContact CG2-CB 4.2Å; P85-A89 VanDerWaalsContact O-CB 3.3Å; P85-A89 WeakPolarHBondContact O-CB 3.35Å; P85-A89 PolarHBondContact O-N 2.87Å; P85-W126 HydrophobicContact CB-CB 4.09Å; P85-W126 HydrophobicContact CB-CD2 4.11Å; P85-W126 HydrophobicContact CB-CE3 4.21Å; P85-W126 HydrophobicContact CB-CG 4.06Å; P85-W126 HydrophobicContact CG-CD2 3.76Å; P85-W126 HydrophobicContact CG-CE3 3.97Å; P85-W126 HydrophobicContact CG-CG 4.04Å; P85-W126 HydrophobicContact CG-CZ3 4.44Å; P85-V233 HydrophobicContact CB-CG1 4.18Å; P85-L237 HydrophobicContact CG-CD1 4.46Å
86V98.7Very high94.9Very high31 Ų3122.6 Ų22.619%0.18812%0.116CC..Hα-helixtrans-74-52178.91760000109.7D84 A88 A89 F90 S230 V233 R234 L237D84-V86 PolarHBondContact O-N 3.12Å; D84-V86 WeakPolarHBondContact OD1-CB 3.39Å; D84-V86 PolarHBondContact OD1-N 3.48Å; V86-A88 VanDerWaalsContact C-N 3.3Å; V86-A88 PolarHBondContact O-N 2.98Å; V86-A89 PolarHBondContact O-N 3.22Å; V86-F90 PolarHBondContact O-N 2.73Å; V86-S230 WeakPolarHBondContact O-CB 3.45Å; V86-V233 HydrophobicContact CG2-CB 4.42Å; V86-V233 HydrophobicContact CG2-CG1 3.95Å; V86-R234 HydrophobicContact CG1-CB 4.34Å; V86-R234 HydrophobicContact CG2-CB 4.15Å; V86-L237 HydrophobicContact CG2-CD1 3.98Å
87Q98.2Very high94.9Very high24 Ų2422.6 Ų22.611%0.11212%0.116CC..Hα-helixtrans-66.5-35.1177.9-173.258.931.600111.8G62 I64 L83 D84 A89 F90 N91G62-Q87 WeakPolarHBondContact O-CG 3.26Å; G62-Q87 PolarHBondContact O-NE2 3.38Å; I64-Q87 HydrophobicContact CG1-CG 4.35Å; L83-Q87 HydrophobicContact CB-CB 4.47Å; L83-Q87 HydrophobicContact CD1-CG 4.04Å; D84-Q87 PolarHBondContact O-N 3.35Å; D84-Q87 PolarHBondContact OD1-N 2.8Å; D84-Q87 WeakPolarHBondContact OD2-CB 3.28Å; Q87-A89 VanDerWaalsContact C-N 3.35Å; Q87-F90 WeakPolarHBondContact O-CB 3.42Å; Q87-F90 PolarHBondContact O-N 2.72Å; Q87-N91 PolarHBondContact NE2-OD1 2.92Å; Q87-N91 PolarHBondContact O-N 2.85Å; Q87-N91 PolarHBondContact O-OD1 3.32Å; Q87-N91 VanDerWaalsContact O-OD1 3.09Å
88A98.3Very high95Very high0 Ų023.4 Ų23.40%012%0.119CC..Hα-helixtrans-65.5-38175.300000112.6V74 V76 L83 D84 V86 F90 N91 I92 A122V74-A88 HydrophobicContact CB-CB 3.37Å; V74-A88 HydrophobicContact CG1-CB 3.5Å; V74-A88 VanDerWaalsContact CG1-CB 3.5Å; V74-A88 HydrophobicContact CG2-CB 3.79Å; V76-A88 HydrophobicContact CG2-CB 4.43Å; L83-A88 HydrophobicContact CB-CB 4.17Å; D84-A88 VanDerWaalsContact O-CB 3.24Å; D84-A88 WeakPolarHBondContact O-CB 3.38Å; D84-A88 PolarHBondContact O-N 2.99Å; V86-A88 VanDerWaalsContact C-N 3.3Å; V86-A88 PolarHBondContact O-N 2.98Å; A88-F90 VanDerWaalsContact C-N 3.31Å; A88-F90 PolarHBondContact O-N 2.74Å; A88-N91 PolarHBondContact O-N 3.43Å; A88-I92 WeakPolarHBondContact O-CB 3.17Å; A88-I92 VanDerWaalsContact O-CG1 3.27Å; A88-I92 WeakPolarHBondContact O-CG1 3.49Å; A88-I92 PolarHBondContact O-N 3.33Å; A88-A122 HydrophobicContact CB-CB 4.06Å
89A98.7Very high95.2Very high0 Ų023.5 Ų23.50%012%0.115CC..Hα-helixtrans-61.6-40.9174.300000111.7P85 V86 Q87 G93 G118 A122 T229 V233P85-A89 VanDerWaalsContact O-CB 3.3Å; P85-A89 WeakPolarHBondContact O-CB 3.35Å; P85-A89 PolarHBondContact O-N 2.87Å; V86-A89 PolarHBondContact O-N 3.22Å; Q87-A89 VanDerWaalsContact C-N 3.35Å; A89-G93 PolarHBondContact O-N 2.73Å; A89-G118 WeakPolarHBondContact CA-O 3.46Å; A89-A122 HydrophobicContact CB-CB 3.89Å; A89-T229 PolarHBondContact O-OG1 3.46Å; A89-V233 HydrophobicContact CB-CG2 3.86Å
90F98.7Very high95.3Very high31 Ų3122.9 Ų22.914%0.13611%0.111CC..Hα-helixtrans-58.6-54.1171.3177.3-94.4000111.4V86 Q87 A88 I92 G93 A94 W223 G226V86-F90 PolarHBondContact O-N 2.73Å; Q87-F90 WeakPolarHBondContact O-CB 3.42Å; Q87-F90 PolarHBondContact O-N 2.72Å; A88-F90 VanDerWaalsContact C-N 3.31Å; A88-F90 PolarHBondContact O-N 2.74Å; F90-I92 PolarHBondContact O-N 2.82Å; F90-G93 PolarHBondContact O-N 2.82Å; F90-A94 HydrophobicContact CE1-CB 4.44Å; F90-A94 HydrophobicContact CZ-CB 4.5Å; F90-A94 VanDerWaalsContact O-CB 3.23Å; F90-A94 WeakPolarHBondContact O-CB 3.16Å; F90-A94 PolarHBondContact O-N 2.94Å; F90-W223 HydrophobicContact CE2-CE3 4.33Å; F90-W223 HydrophobicContact CZ-CB 4.47Å; F90-G226 WeakPolarHBondContact CA-O 3.32Å
91N98.4Very high96.1Very high0 Ų016.2 Ų16.20%08%0.079CC..Hα-helixtrans-60.8-47.7-175.8-69.919.5000112L61 G62 V76 L83 Q87 A88 A94 M95L61-N91 HydrophobicContact CD2-CB 3.99Å; G62-N91 PolarHBondContact N-ND2 3.22Å; G62-N91 PolarHBondContact O-ND2 3.17Å; V76-N91 HydrophobicContact CG1-CB 4.15Å; V76-N91 HydrophobicContact CG2-CB 3.97Å; L83-N91 WeakPolarHBondContact CD1-ND2 3.48Å; Q87-N91 PolarHBondContact NE2-OD1 2.92Å; Q87-N91 PolarHBondContact O-N 2.85Å; Q87-N91 PolarHBondContact O-OD1 3.32Å; Q87-N91 VanDerWaalsContact O-OD1 3.09Å; A88-N91 PolarHBondContact O-N 3.43Å; N91-A94 PolarHBondContact O-N 2.6Å; N91-M95 VanDerWaalsContact O-CG 3.22Å; N91-M95 WeakPolarHBondContact O-CG 3.45Å; N91-M95 PolarHBondContact O-N 2.95Å
92I98.4Very high96.3Very high4 Ų414.1 Ų14.12%0.0217%0.07CC..Hα-helixtrans-65.2-45.9179.8-63.1169.9000109.8V74 V76 A88 F90 A94 M95 I96 A122V74-I92 HydrophobicContact CG1-CD1 4.15Å; V76-I92 HydrophobicContact CG1-CG1 4.16Å; V76-I92 HydrophobicContact CG2-CG1 4.45Å; A88-I92 WeakPolarHBondContact O-CB 3.17Å; A88-I92 VanDerWaalsContact O-CG1 3.27Å; A88-I92 WeakPolarHBondContact O-CG1 3.49Å; A88-I92 PolarHBondContact O-N 3.33Å; F90-I92 PolarHBondContact O-N 2.82Å; I92-A94 PolarHBondContact O-N 2.91Å; I92-M95 PolarHBondContact O-N 3.22Å; I92-I96 HydrophobicContact CG2-CD1 3.71Å; I92-I96 HydrophobicContact CG2-CG1 4.39Å; I92-I96 WeakPolarHBondContact O-CB 3.19Å; I92-I96 VanDerWaalsContact O-CG1 3.22Å; I92-I96 WeakPolarHBondContact O-CG1 3.44Å; I92-I96 PolarHBondContact O-N 2.9Å; I92-A122 HydrophobicContact CD1-CB 4.25Å
93G98.2Very high96.6Very high0 Ų011 Ų110%06%0.056CC..Hα-helixtrans-64.6-38.2178.800000113.4A89 F90 I96 R97A89-G93 PolarHBondContact O-N 2.73Å; F90-G93 PolarHBondContact O-N 2.82Å; G93-I96 PolarHBondContact O-N 3.2Å; G93-R97 WeakPolarHBondContact O-CB 3.33Å; G93-R97 PolarHBondContact O-N 3.31Å
94A98Very high96.5Very high0 Ų011 Ų110%06%0.056CC..Hα-helixtrans-65.4-42174.900000111.6L61 F90 N91 I92 W98 W223L61-A94 HydrophobicContact CD2-CB 4.43Å; F90-A94 HydrophobicContact CE1-CB 4.44Å; F90-A94 HydrophobicContact CZ-CB 4.5Å; F90-A94 VanDerWaalsContact O-CB 3.23Å; F90-A94 WeakPolarHBondContact O-CB 3.16Å; F90-A94 PolarHBondContact O-N 2.94Å; N91-A94 PolarHBondContact O-N 2.6Å; I92-A94 PolarHBondContact O-N 2.91Å; A94-W98 WeakPolarHBondContact O-CA 3.5Å; A94-W98 VanDerWaalsContact O-CB 3.28Å; A94-W98 WeakPolarHBondContact O-CB 3.41Å; A94-W98 PolarHBondContact O-N 3.06Å; A94-W223 HydrophobicContact CB-CB 4.04Å
95M97.8Very high96.3Very high6 Ų68.4 Ų8.43%0.034%0.042CC..Hα-helixtrans-61-47.4174.1-71.4166.557.700111.6G48 A51 L52 L61 V76 P77 N91 I92 R97 W98G48-M95 WeakPolarHBondContact O-CE 3.21Å; A51-M95 WeakPolarHBondContact CB-O 3.5Å; L52-M95 HydrophobicContact CD1-CE 3.98Å; L52-M95 HydrophobicContact CD2-CE 4Å; L52-M95 HydrophobicContact CD2-CG 4.3Å; L52-M95 HydrophobicContact CD2-SD 4.17Å; L52-M95 HydrophobicContact CG-CE 3.99Å; L61-M95 HydrophobicContact CD1-CG 3.77Å; L61-M95 HydrophobicContact CD1-SD 3.99Å; L61-M95 HydrophobicContact CD2-CG 4.1Å; V76-M95 HydrophobicContact CG1-SD 3.53Å; V76-M95 VanDerWaalsContact CG1-SD 3.53Å; P77-M95 WeakPolarHBondContact O-CE 3.4Å; N91-M95 VanDerWaalsContact O-CG 3.22Å; N91-M95 WeakPolarHBondContact O-CG 3.45Å; N91-M95 PolarHBondContact O-N 2.95Å; I92-M95 PolarHBondContact O-N 3.22Å; M95-R97 PolarHBondContact O-N 3.2Å; M95-W98 PolarHBondContact O-N 2.95Å
96I97.3Very high95.8Very high3 Ų38 Ų82%0.0154%0.039CC..Hα-helixtrans-57.7-50.6-179.4-75.4171.3000111.4T44 C47 I92 G93 N102 L117T44-I96 HydrophobicContact CG2-CB 4.16Å; T44-I96 HydrophobicContact CG2-CD1 3.54Å; T44-I96 HydrophobicContact CG2-CG1 3.55Å; T44-I96 HydrophobicContact CG2-CG2 3.58Å; C47-I96 PolarHBondContact SG-O 2.92Å; C47-I96 VanDerWaalsContact SG-O 3.37Å; I92-I96 HydrophobicContact CG2-CD1 3.71Å; I92-I96 HydrophobicContact CG2-CG1 4.39Å; I92-I96 WeakPolarHBondContact O-CB 3.19Å; I92-I96 VanDerWaalsContact O-CG1 3.22Å; I92-I96 WeakPolarHBondContact O-CG1 3.44Å; I92-I96 PolarHBondContact O-N 2.9Å; G93-I96 PolarHBondContact O-N 3.2Å; I96-N102 WeakPolarHBondContact CG2-ND2 3.29Å; I96-L117 HydrophobicContact CD1-CB 3.91Å; I96-L117 HydrophobicContact CD1-CD2 4.03Å; I96-L117 HydrophobicContact CD1-CG 4.1Å
97R95.9Very high95.2Very high1 Ų17 Ų70%0.0043%0.034CC..Hα-helixtrans-78.8-19.7-174.1-17366.6-169.282.1-15.8113.1G93 M95 L99 D100 H112 D115 S222 A225G93-R97 WeakPolarHBondContact O-CB 3.33Å; G93-R97 PolarHBondContact O-N 3.31Å; M95-R97 PolarHBondContact O-N 3.2Å; R97-L99 VanDerWaalsContact C-N 3.29Å; R97-L99 PolarHBondContact O-N 3.31Å; R97-L99 VanDerWaalsContact O-N 3.1Å; R97-D100 IonicContact CZ-OD1 3.96Å; R97-D100 IonicContact CZ-OD2 3.8Å; R97-D100 VanDerWaalsContact NH1-CA 3.31Å; R97-D100 IonicContact NH1-OD1 2.85Å; R97-D100 PolarHBondContact NH1-OD1 2.66Å; R97-D100 IonicContact NH1-OD2 3.63Å; R97-D100 PolarHBondContact NH1-OD2 3.19Å; R97-D100 VanDerWaalsContact NH1-OD2 3.17Å; R97-D100 IonicContact NH2-OD1 2.76Å; R97-D100 PolarHBondContact NH2-OD1 3.46Å; R97-D100 IonicContact NH2-OD2 2.68Å; R97-D100 PolarHBondContact NH2-OD2 3.33Å; R97-D100 PolarHBondContact O-N 3Å; R97-H112 PolarHBondContact NE-CD2 2.8Å; R97-H112 PolarHBondContact NH2-CD2 3.11Å; R97-H112 VanDerWaalsContact NH2-CD2 3.29Å; R97-H112 PolarHBondContact NH2-NE2 3.18Å; R97-D115 WeakPolarHBondContact CD-OD1 3.09Å; R97-D115 WeakPolarHBondContact CD-OD2 3.43Å; R97-D115 IonicContact NE-OD2 2.91Å; R97-S222 CarbonylContact C-O 3.53Å; R97-A225 HydrophobicContact CB-CB 3.76Å; R97-A225 HydrophobicContact CG-CB 3.79Å
98W95.6Very high94.7Very high23 Ų237.4 Ų7.49%0.0874%0.042CC..THydrogen-bonded Turntrans-48.5-49.3-162.2-166.5-101.8000113.7A51 A56 C57 L60 A94 M95 S222 W223A51-W98 HydrophobicContact CB-CB 3.67Å; A51-W98 HydrophobicContact CB-CG 4.14Å; A56-W98 HydrophobicContact CB-CH2 4.42Å; A56-W98 HydrophobicContact CB-CZ2 3.71Å; A56-W98 WeakPolarHBondContact O-CH2 3.2Å; A56-W98 WeakPolarHBondContact O-CZ2 3.39Å; C57-W98 HydrophobicContact CB-CD2 3.48Å; C57-W98 VanDerWaalsContact CB-CD2 3.48Å; C57-W98 VanDerWaalsContact CB-CE2 3.44Å; C57-W98 HydrophobicContact CB-CE3 3.99Å; C57-W98 HydrophobicContact CB-CG 3.77Å; C57-W98 HydrophobicContact CB-CH2 4.4Å; C57-W98 HydrophobicContact CB-CZ2 3.95Å; C57-W98 HydrophobicContact CB-CZ3 4.41Å; L60-W98 HydrophobicContact CD1-CH2 3.81Å; L60-W98 HydrophobicContact CD1-CZ3 3.66Å; A94-W98 WeakPolarHBondContact O-CA 3.5Å; A94-W98 VanDerWaalsContact O-CB 3.28Å; A94-W98 WeakPolarHBondContact O-CB 3.41Å; A94-W98 PolarHBondContact O-N 3.06Å; M95-W98 PolarHBondContact O-N 2.95Å; W98-S222 WeakPolarHBondContact CA-O 3.38Å; W98-S222 PolarHBondContact N-O 3.22Å; W98-S222 WeakPolarHBondContact O-CB 3.48Å; W98-S222 PolarHBondContact O-OG 2.85Å; W98-W223 HydrophobicContact CZ3-CB 4.31Å; W98-W223 AromaticContact CZ3-CD1 3.93Å
99L93.3Very high94.3Very high20 Ų207.5 Ų7.511%0.1054%0.042CC..THydrogen-bonded Turntrans-95.6-3.7-172.9-61.2178.3000114.2E50 A51 Y54 R97 F101 A363E50-L99 HydrophobicContact CB-CD1 3.74Å; E50-L99 HydrophobicContact CG-CD1 3.56Å; A51-L99 HydrophobicContact CB-CD1 4.35Å; A51-L99 HydrophobicContact CB-CG 4.29Å; Y54-L99 HydrophobicContact CD2-CD1 4.47Å; Y54-L99 HydrophobicContact CD2-CD2 3.82Å; Y54-L99 HydrophobicContact CE1-CD2 4.37Å; Y54-L99 HydrophobicContact CE2-CD1 4.01Å; Y54-L99 HydrophobicContact CE2-CD2 3.59Å; Y54-L99 HydrophobicContact CE2-CG 4.41Å; Y54-L99 HydrophobicContact CG-CD2 4.35Å; R97-L99 VanDerWaalsContact C-N 3.29Å; R97-L99 PolarHBondContact O-N 3.31Å; R97-L99 VanDerWaalsContact O-N 3.1Å; L99-F101 HydrophobicContact CB-CB 4.12Å; L99-F101 PolarHBondContact O-N 2.81Å; L99-A363 HydrophobicContact CD2-CB 4.08Å
100D90.8Very high93.6Very high4 Ų48.4 Ų8.42%0.0215%0.045CC..  trans53.135.5-176.5-153.6-14.2000113.8R97 H112 K221 K284R97-D100 IonicContact CZ-OD1 3.96Å; R97-D100 IonicContact CZ-OD2 3.8Å; R97-D100 VanDerWaalsContact NH1-CA 3.31Å; R97-D100 IonicContact NH1-OD1 2.85Å; R97-D100 PolarHBondContact NH1-OD1 2.66Å; R97-D100 IonicContact NH1-OD2 3.63Å; R97-D100 PolarHBondContact NH1-OD2 3.19Å; R97-D100 VanDerWaalsContact NH1-OD2 3.17Å; R97-D100 IonicContact NH2-OD1 2.76Å; R97-D100 PolarHBondContact NH2-OD1 3.46Å; R97-D100 IonicContact NH2-OD2 2.68Å; R97-D100 PolarHBondContact NH2-OD2 3.33Å; R97-D100 PolarHBondContact O-N 3Å; D100-H112 IonicContact OD1-CE1 3.17Å; D100-H112 PolarHBondContact OD1-CE1 3.45Å; D100-H112 IonicContact OD1-ND1 3.95Å; D100-H112 IonicContact OD1-NE2 3.41Å; D100-K221 IonicContact OD2-NZ 3.54Å; D100-K284 VanDerWaalsContact CG-NZ 3.32Å; D100-K284 WeakPolarHBondContact O-CD 3.42Å; D100-K284 PolarHBondContact O-NZ 3.37Å; D100-K284 IonicContact OD1-NZ 3.57Å; D100-K284 PolarHBondContact OD1-NZ 3.39Å; D100-K284 IonicContact OD2-NZ 2.68Å
101F94.3Very high93.3Very high13 Ų137.1 Ų7.16%0.0574%0.041CC..  trans-128.252.8-166.6-168.4-154.3000111.8L99 K284 I285 F287 P288 K442L99-F101 HydrophobicContact CB-CB 4.12Å; L99-F101 PolarHBondContact O-N 2.81Å; F101-K284 HydrophobicContact CD2-CB 3.86Å; F101-K284 VanDerWaalsContact CD2-O 3.27Å; F101-K284 WeakPolarHBondContact CD2-O 3.46Å; F101-K284 HydrophobicContact CE2-CB 4.37Å; F101-K284 VanDerWaalsContact CE2-O 3.23Å; F101-K284 WeakPolarHBondContact CE2-O 3.1Å; F101-I285 WeakPolarHBondContact CE2-O 3.49Å; F101-I285 VanDerWaalsContact CZ-O 3.24Å; F101-I285 WeakPolarHBondContact CZ-O 3.45Å; F101-F287 VanDerWaalsContact CD2-C 3.48Å; F101-F287 VanDerWaalsContact CD2-O 3.23Å; F101-F287 WeakPolarHBondContact CD2-O 3.38Å; F101-F287 WeakPolarHBondContact CE2-O 3.2Å; F101-P288 HydrophobicContact CB-CB 3.87Å; F101-P288 HydrophobicContact CD1-CB 3.64Å; F101-P288 HydrophobicContact CD1-CG 4.33Å; F101-P288 VanDerWaalsContact CD2-CA 3.43Å; F101-P288 HydrophobicContact CD2-CB 4Å; F101-P288 HydrophobicContact CE1-CB 4.06Å; F101-P288 HydrophobicContact CE1-CG 4.29Å; F101-P288 HydrophobicContact CE2-CB 4.43Å; F101-P288 HydrophobicContact CG-CB 3.58Å; F101-P288 HydrophobicContact CZ-CB 4.44Å; F101-K442 HydrophobicContact CE1-CD 4.31Å; F101-K442 HydrophobicContact CZ-CD 4.25Å; F101-K442 PolarHBondContact O-NZ 3.04Å
102N92.7Very high93.1Very high0 Ų07.8 Ų7.80%04%0.044CC..SBendtrans-144.1-120.4175.559.2-5.9000110.5D43 C47 I96 S114 K284D43-N102 WeakPolarHBondContact OD2-CA 3.24Å; C47-N102 HydrophobicContact CB-CB 4.03Å; I96-N102 WeakPolarHBondContact CG2-ND2 3.29Å; N102-S114 PolarHBondContact ND2-OG 3.06Å; N102-K284 WeakPolarHBondContact O-CA 3.22Å; N102-K284 WeakPolarHBondContact O-CB 3.23Å; N102-K284 WeakPolarHBondContact O-CG 2.87Å; N102-K284 PolarHBondContact O-N 2.87Å
103D94.9Very high93.1Very high0 Ų07.6 Ų7.60%04%0.043CC..EExtended strand (participates in β ladder)trans-84.1166.6-179.683.3-12.4000113.8H112 S114 H152 V281 L282 F283D103-H112 PolarHBondContact O-ND1 3.4Å; D103-S114 VanDerWaalsContact CG-OG 3.31Å; D103-S114 WeakPolarHBondContact OD1-CB 3.02Å; D103-S114 PolarHBondContact OD1-N 3.27Å; D103-S114 PolarHBondContact OD1-OG 3.05Å; D103-S114 WeakPolarHBondContact OD2-CB 3.5Å; D103-S114 PolarHBondContact OD2-N 3.08Å; D103-H152 IonicContact OD2-CD2 3.7Å; D103-H152 IonicContact OD2-CE1 3.71Å; D103-H152 IonicContact OD2-NE2 3.67Å; D103-H152 PolarHBondContact OD2-NE2 3.01Å; D103-V281 HydrophobicContact CB-CG2 3.94Å; D103-L282 CarbonylContact C-O 3.28Å; D103-L282 VanDerWaalsContact CA-O 3.26Å; D103-L282 WeakPolarHBondContact CA-O 3.37Å; D103-F283 HydrophobicContact CB-CD1 4.33Å
104T93.8Very high93.1Very high4 Ų47.6 Ų7.63%0.0254%0.043CC..EExtended strand (participates in β ladder)trans-152.8160.5165.3-165.20000111.5G111 V281 L282 F291T104-G111 WeakPolarHBondContact CA-O 3.2Å; T104-G111 PolarHBondContact OG1-O 3.45Å; T104-G111 VanDerWaalsContact OG1-O 3.1Å; T104-V281 VanDerWaalsContact O-CG2 3.28Å; T104-V281 WeakPolarHBondContact O-CG2 3.27Å; T104-L282 HydrophobicContact CG2-CB 4.05Å; T104-L282 HydrophobicContact CG2-CD1 4.33Å; T104-L282 PolarHBondContact N-O 2.93Å; T104-L282 WeakPolarHBondContact O-CD1 3.27Å; T104-L282 PolarHBondContact O-N 3.48Å; T104-L282 VanDerWaalsContact O-N 3.12Å; T104-F291 HydrophobicContact CG2-CB 4.02Å; T104-F291 HydrophobicContact CG2-CD1 3.29Å; T104-F291 HydrophobicContact CG2-CD2 3.48Å; T104-F291 VanDerWaalsContact CG2-CD2 3.48Å; T104-F291 HydrophobicContact CG2-CE1 3.41Å; T104-F291 VanDerWaalsContact CG2-CE1 3.41Å; T104-F291 HydrophobicContact CG2-CE2 3.6Å; T104-F291 HydrophobicContact CG2-CG 3.33Å; T104-F291 HydrophobicContact CG2-CZ 3.59Å
105W93Very high93.1Very high2 Ų27.6 Ų7.61%0.0084%0.043CC..BIsolated β-bridgetrans-128.6123.1176-175-118.9000110.8W110 G111 P113 G156 L160 Y276 V277 N280W105-W110 WeakPolarHBondContact O-CA 3.34Å; W105-G111 PolarHBondContact N-O 3.38Å; W105-G111 PolarHBondContact O-N 2.82Å; W105-P113 HydrophobicContact CB-CG 3.74Å; W105-P113 HydrophobicContact CG-CG 4.48Å; W105-G156 PolarHBondContact NE1-O 3.44Å; W105-L160 HydrophobicContact CZ2-CD2 3.93Å; W105-Y276 HydrophobicContact CH2-CD1 4.11Å; W105-Y276 AromaticContact CH2-CE1 3.6Å; W105-Y276 HydrophobicContact CH2-CE1 3.6Å; W105-Y276 HydrophobicContact CZ2-CD1 4.18Å; W105-Y276 AromaticContact CZ2-CE1 3.73Å; W105-Y276 HydrophobicContact CZ2-CE1 3.73Å; W105-V277 HydrophobicContact CD2-CG1 3.75Å; W105-V277 HydrophobicContact CE3-CG1 3.98Å; W105-V277 HydrophobicContact CG-CG1 4.17Å; W105-V277 HydrophobicContact CH2-CB 4.49Å; W105-V277 HydrophobicContact CH2-CG1 4.38Å; W105-V277 HydrophobicContact CH2-CG2 4.47Å; W105-V277 HydrophobicContact CZ2-CB 4.32Å; W105-V277 HydrophobicContact CZ2-CG1 4.16Å; W105-V277 HydrophobicContact CZ2-CG2 3.9Å; W105-V277 HydrophobicContact CZ3-CG1 4.3Å; W105-N280 HydrophobicContact CH2-CB 3.96Å; W105-N280 HydrophobicContact CZ3-CB 3.78Å
106L86.2Confident93.1Very high2 Ų27.3 Ų7.31%0.014%0.041CC..  trans-88.2130.1174.9-58178.5000109.9L282 F291 Y395 R401 I403L106-L282 HydrophobicContact CD1-CD1 4.29Å; L106-L282 HydrophobicContact CD1-CD2 4.41Å; L106-L282 HydrophobicContact CG-CD1 3.9Å; L106-F291 HydrophobicContact CD2-CD1 4Å; L106-Y395 HydrophobicContact CD1-CE2 4.02Å; L106-Y395 HydrophobicContact CD2-CE2 4.04Å; L106-Y395 HydrophobicContact CG-CE2 4.47Å; L106-R401 HydrophobicContact CD1-CB 4.43Å; L106-R401 PolarHBondContact O-NH1 2.8Å; L106-I403 HydrophobicContact CD1-CD1 3.62Å; L106-I403 HydrophobicContact CD1-CG1 3.65Å; L106-I403 HydrophobicContact CD2-CD1 4.25Å; L106-I403 HydrophobicContact CG-CD1 4.41Å
107A86.9Confident93.2Very high10 Ų107.2 Ų7.28%0.0834%0.041CC..SBendtrans-167.5-177-178.900000109.7E109 W110 A159 L160A107-E109 WeakPolarHBondContact CB-O 3.23Å; A107-E109 PolarHBondContact O-N 2.75Å; A107-W110 PolarHBondContact O-NE1 2.67Å; A107-A159 HydrophobicContact CB-CB 4.05Å; A107-A159 WeakPolarHBondContact CB-O 3.37Å; A107-L160 HydrophobicContact CB-CD2 4.3Å
108A86.8Confident93.3Very high33 Ų337.1 Ų7.127%0.2734%0.041SC..SBendtrans-56-32.7169.900000111.9A159 L160 S163A108-A159 PolarHBondContact N-O 3.11Å; A108-L160 WeakPolarHBondContact CB-O 3.09Å; A108-L160 PolarHBondContact N-O 2.91Å; A108-S163 WeakPolarHBondContact O-CB 3.21Å; A108-S163 PolarHBondContact O-OG 3.08Å
109E90Very high93.4Very high1 Ų16 Ų61%0.0054%0.037CC..SBendtrans-112.1119.2162.1-174.760.7-151.700111.2A107 A159 N162 F164 N165 H171 R209A107-E109 WeakPolarHBondContact CB-O 3.23Å; A107-E109 PolarHBondContact O-N 2.75Å; E109-A159 HydrophobicContact CB-CB 4.04Å; E109-A159 PolarHBondContact N-O 2.89Å; E109-A159 WeakPolarHBondContact O-CB 3.38Å; E109-N162 VanDerWaalsContact CB-O 3.27Å; E109-N162 WeakPolarHBondContact CB-O 3.42Å; E109-F164 HydrophobicContact CB-CD2 4.08Å; E109-F164 HydrophobicContact CG-CB 4.13Å; E109-F164 HydrophobicContact CG-CD2 3.97Å; E109-F164 PolarHBondContact OE2-N 2.98Å; E109-N165 WeakPolarHBondContact OE2-CB 3.48Å; E109-N165 PolarHBondContact OE2-N 2.67Å; E109-N165 PolarHBondContact OE2-ND2 3.08Å; E109-H171 HydrophobicContact CG-CB 3.83Å; E109-R209 IonicContact OE1-CZ 3.84Å; E109-R209 IonicContact OE1-NH1 2.67Å; E109-R209 PolarHBondContact OE1-NH1 3.47Å; E109-R209 IonicContact OE1-NH2 3.22Å
110W85.2Confident93.7Very high19 Ų195.1 Ų5.17%0.0723%0.032CC..  trans-79.5146.2174.8-25.7-56.4000110.2W105 A107 H292 A327 R330 I331 Y395W105-W110 WeakPolarHBondContact O-CA 3.34Å; A107-W110 PolarHBondContact O-NE1 2.67Å; W110-H292 AromaticContact CD2-CE1 3.89Å; W110-A327 HydrophobicContact CZ2-CB 4.47Å; W110-R330 VanDerWaalsContact CZ2-NH2 3.26Å; W110-I331 HydrophobicContact CD2-CD1 4.14Å; W110-I331 HydrophobicContact CE3-CD1 3.74Å; W110-I331 HydrophobicContact CE3-CG1 4.39Å; W110-I331 HydrophobicContact CH2-CD1 3Å; W110-I331 HydrophobicContact CH2-CG1 3.17Å; W110-I331 HydrophobicContact CZ2-CD1 3.39Å; W110-I331 HydrophobicContact CZ2-CG1 4Å; W110-I331 HydrophobicContact CZ3-CD1 3.17Å; W110-I331 HydrophobicContact CZ3-CG1 3.39Å; W110-I331 HydrophobicContact CZ3-CG2 4.26Å; W110-Y395 VanDerWaalsContact CD1-OH 3.25Å; W110-Y395 PolarHBondContact NE1-OH 3.01Å; W110-Y395 VanDerWaalsContact NE1-OH 3.14Å
111G91.6Very high94.1Very high4 Ų45 Ų54%0.0413%0.031CC..BIsolated β-bridgetrans-160.1-176.2177.600000113.7T104 W105T104-G111 WeakPolarHBondContact CA-O 3.2Å; T104-G111 PolarHBondContact OG1-O 3.45Å; T104-G111 VanDerWaalsContact OG1-O 3.1Å; W105-G111 PolarHBondContact N-O 3.38Å; W105-G111 PolarHBondContact O-N 2.82Å
112H95.2Very high94.3Very high14 Ų144.3 Ų4.37%0.0653%0.028CC..  trans-126.792.1-178.5-55.1-84.9000108.3R97 D100 D103 S114 D115 Q155 H171R97-H112 PolarHBondContact NE-CD2 2.8Å; R97-H112 PolarHBondContact NH2-CD2 3.11Å; R97-H112 VanDerWaalsContact NH2-CD2 3.29Å; R97-H112 PolarHBondContact NH2-NE2 3.18Å; D100-H112 IonicContact OD1-CE1 3.17Å; D100-H112 PolarHBondContact OD1-CE1 3.45Å; D100-H112 IonicContact OD1-ND1 3.95Å; D100-H112 IonicContact OD1-NE2 3.41Å; D103-H112 PolarHBondContact O-ND1 3.4Å; H112-S114 PolarHBondContact O-N 3.16Å; H112-D115 WeakPolarHBondContact O-CB 3.25Å; H112-D115 VanDerWaalsContact O-CG 3.24Å; H112-D115 PolarHBondContact O-N 3.26Å; H112-D115 VanDerWaalsContact O-N 3.15Å; H112-Q155 PolarHBondContact O-NE2 3.38Å; H112-H171 AromaticContact CD2-CE1 3.96Å; H112-H171 AromaticContact CD2-NE2 3.58Å
113P97.5Very high94.5Very high0 Ų04.3 Ų4.30%03%0.028CC..G310 helixtrans-69.8-19.3-174.2-19.332.8000113.7W105 D115 N116 H152W105-P113 HydrophobicContact CB-CG 3.74Å; W105-P113 HydrophobicContact CG-CG 4.48Å; P113-D115 PolarHBondContact O-N 2.69Å; P113-D115 VanDerWaalsContact O-N 3.15Å; P113-N116 PolarHBondContact O-N 3.38Å; P113-N116 PolarHBondContact O-ND2 2.82Å; P113-H152 HydrophobicContact CB-CB 4.08Å; P113-H152 VanDerWaalsContact CB-CD2 3.45Å; P113-H152 WeakPolarHBondContact CB-CD2 3.15Å; P113-H152 PolarHBondContact O-CE1 3.25Å; P113-H152 PolarHBondContact O-ND1 3.24Å
114S97.8Very high94.7Very high0 Ų04.3 Ų4.30%03%0.028CC..G310 helixtrans-57.5-22.2168.858.90000114T44 N102 D103 H112 N116 L117 H152T44-S114 VanDerWaalsContact OG1-CB 3.28Å; T44-S114 WeakPolarHBondContact OG1-CB 3.33Å; N102-S114 PolarHBondContact ND2-OG 3.06Å; D103-S114 VanDerWaalsContact CG-OG 3.31Å; D103-S114 WeakPolarHBondContact OD1-CB 3.02Å; D103-S114 PolarHBondContact OD1-N 3.27Å; D103-S114 PolarHBondContact OD1-OG 3.05Å; D103-S114 WeakPolarHBondContact OD2-CB 3.5Å; D103-S114 PolarHBondContact OD2-N 3.08Å; H112-S114 PolarHBondContact O-N 3.16Å; S114-N116 PolarHBondContact O-N 3.09Å; S114-N116 VanDerWaalsContact O-N 3.11Å; S114-L117 WeakPolarHBondContact O-CB 3.5Å; S114-L117 PolarHBondContact O-N 2.92Å; S114-H152 PolarHBondContact N-CE1 3.18Å; S114-H152 PolarHBondContact N-NE2 2.81Å
115D98Very high95Very high0 Ų04.1 Ų4.10%03%0.027CC..G310 helixtrans-53.9-33176-74.8-16.7000112.2R97 H112 P113 L117 G118 V175 A225 T229R97-D115 WeakPolarHBondContact CD-OD1 3.09Å; R97-D115 WeakPolarHBondContact CD-OD2 3.43Å; R97-D115 IonicContact NE-OD2 2.91Å; H112-D115 WeakPolarHBondContact O-CB 3.25Å; H112-D115 VanDerWaalsContact O-CG 3.24Å; H112-D115 PolarHBondContact O-N 3.26Å; H112-D115 VanDerWaalsContact O-N 3.15Å; P113-D115 PolarHBondContact O-N 2.69Å; P113-D115 VanDerWaalsContact O-N 3.15Å; D115-L117 PolarHBondContact O-N 3.34Å; D115-L117 VanDerWaalsContact O-N 3.16Å; D115-G118 PolarHBondContact O-N 3.27Å; D115-V175 HydrophobicContact CB-CB 4.45Å; D115-V175 HydrophobicContact CB-CG1 3.78Å; D115-V175 HydrophobicContact CB-CG2 3.76Å; D115-A225 HydrophobicContact CB-CB 3.78Å; D115-A225 VanDerWaalsContact OD2-CB 3.3Å; D115-A225 WeakPolarHBondContact OD2-CB 3.25Å; D115-T229 WeakPolarHBondContact O-CG2 3.4Å
116N98.6Very high95.2Very high0 Ų06.9 Ų6.90%04%0.037CC..G310 helixtrans-61-24.1177.9-64.4-75.6000113.2P113 S114 G118 G119 I120 A151 Q155 V175 S179P113-N116 PolarHBondContact O-N 3.38Å; P113-N116 PolarHBondContact O-ND2 2.82Å; S114-N116 PolarHBondContact O-N 3.09Å; S114-N116 VanDerWaalsContact O-N 3.11Å; N116-G118 PolarHBondContact O-N 3.26Å; N116-G118 VanDerWaalsContact O-N 3.16Å; N116-G119 PolarHBondContact O-N 3.47Å; N116-G119 VanDerWaalsContact O-N 3.17Å; N116-I120 HydrophobicContact CB-CD1 4.07Å; N116-I120 WeakPolarHBondContact O-CG1 3.21Å; N116-I120 PolarHBondContact O-N 3.07Å; N116-I120 VanDerWaalsContact O-N 3.13Å; N116-A151 HydrophobicContact CB-CB 3.7Å; N116-Q155 PolarHBondContact ND2-OE1 3.33Å; N116-V175 PolarHBondContact OD1-O 2.69Å; N116-S179 WeakPolarHBondContact CA-OG 3.34Å; N116-S179 PolarHBondContact OD1-N 3.15Å; N116-S179 PolarHBondContact OD1-OG 2.93Å
117L98.5Very high95.8Very high1 Ų18.3 Ų8.31%0.0055%0.045CC..Hα-helixtrans-59.4-29.2-179.7-177.864.7000111.8L41 T44 I96 S114 D115 G119 I120 L121 V144 M148L41-L117 HydrophobicContact CD1-CD1 4.05Å; L41-L117 HydrophobicContact CD1-CD2 3.74Å; T44-L117 HydrophobicContact CG2-CB 4.36Å; T44-L117 HydrophobicContact CG2-CD2 3.49Å; T44-L117 VanDerWaalsContact CG2-CD2 3.49Å; I96-L117 HydrophobicContact CD1-CB 3.91Å; I96-L117 HydrophobicContact CD1-CD2 4.03Å; I96-L117 HydrophobicContact CD1-CG 4.1Å; S114-L117 WeakPolarHBondContact O-CB 3.5Å; S114-L117 PolarHBondContact O-N 2.92Å; D115-L117 PolarHBondContact O-N 3.34Å; D115-L117 VanDerWaalsContact O-N 3.16Å; L117-G119 PolarHBondContact O-N 2.75Å; L117-I120 PolarHBondContact O-N 3.25Å; L117-L121 HydrophobicContact CD1-CB 3.99Å; L117-L121 HydrophobicContact CD1-CD1 4.43Å; L117-L121 HydrophobicContact CG-CB 4.24Å; L117-L121 WeakPolarHBondContact O-CB 3.19Å; L117-L121 PolarHBondContact O-N 3.11Å; L117-V144 HydrophobicContact CD1-CG1 4Å; L117-M148 HydrophobicContact CD1-CG 4Å; L117-M148 HydrophobicContact CD1-SD 3.79Å
118G98.3Very high96.4Very high0 Ų07.9 Ų7.90%04%0.041CC..Hα-helixtrans-55.1-49.1175.900000112.5A89 D115 N116 A122A89-G118 WeakPolarHBondContact CA-O 3.46Å; D115-G118 PolarHBondContact O-N 3.27Å; N116-G118 PolarHBondContact O-N 3.26Å; N116-G118 VanDerWaalsContact O-N 3.16Å; G118-A122 WeakPolarHBondContact O-CB 3.24Å; G118-A122 PolarHBondContact O-N 3.27Å
119G98.6Very high96.8Very high0 Ų07.2 Ų7.20%03%0.031CC..Hα-helixtrans-73.5-39.7178.100000112.9N116 L117 T123N116-G119 PolarHBondContact O-N 3.47Å; N116-G119 VanDerWaalsContact O-N 3.17Å; L117-G119 PolarHBondContact O-N 2.75Å; G119-T123 WeakPolarHBondContact O-CB 3.1Å; G119-T123 PolarHBondContact O-N 2.77Å; G119-T123 VanDerWaalsContact O-N 3.08Å; G119-T123 PolarHBondContact O-OG1 2.77Å
120I98.8Very high97.2Very high0 Ų09.6 Ų9.60%05%0.045CC..Hα-helixtrans-62.9-54.7-179.7-64.8164.3000111N116 L117 A122 T123 A124 V144 A147 M148 A151 V182 M186N116-I120 HydrophobicContact CB-CD1 4.07Å; N116-I120 WeakPolarHBondContact O-CG1 3.21Å; N116-I120 PolarHBondContact O-N 3.07Å; N116-I120 VanDerWaalsContact O-N 3.13Å; L117-I120 PolarHBondContact O-N 3.25Å; I120-A122 PolarHBondContact O-N 2.8Å; I120-T123 PolarHBondContact O-N 3.36Å; I120-A124 VanDerWaalsContact O-CB 3.3Å; I120-A124 WeakPolarHBondContact O-CB 3.47Å; I120-A124 PolarHBondContact O-N 3.32Å; I120-V144 HydrophobicContact CG2-CG1 4Å; I120-A147 HydrophobicContact CD1-CB 4.19Å; I120-A147 HydrophobicContact CG1-CB 4.26Å; I120-A147 HydrophobicContact CG2-CB 3.77Å; I120-M148 HydrophobicContact CD1-CG 4.16Å; I120-A151 HydrophobicContact CD1-CB 4.04Å; I120-V182 HydrophobicContact CD1-CG2 4.09Å; I120-V182 HydrophobicContact CG1-CG2 3.73Å; I120-M186 HydrophobicContact CB-CE 4.11Å; I120-M186 HydrophobicContact CG1-CE 4.1Å; I120-M186 HydrophobicContact CG2-CE 4Å; I120-M186 HydrophobicContact CG2-SD 4.08Å
121L98.4Very high97.8Very high1 Ų19.5 Ų9.51%0.0055%0.047CC..Hα-helixtrans-68-39.4-174.2-161.166.3000111.5L45 L117 A124 D125 M141 V144 V474 L478L45-L121 HydrophobicContact CD2-CD2 3.95Å; L117-L121 HydrophobicContact CD1-CB 3.99Å; L117-L121 HydrophobicContact CD1-CD1 4.43Å; L117-L121 HydrophobicContact CG-CB 4.24Å; L117-L121 WeakPolarHBondContact O-CB 3.19Å; L117-L121 PolarHBondContact O-N 3.11Å; L121-A124 PolarHBondContact O-N 2.86Å; L121-D125 VanDerWaalsContact O-CB 3.32Å; L121-D125 WeakPolarHBondContact O-CB 3.39Å; L121-D125 PolarHBondContact O-N 3.31Å; L121-M141 HydrophobicContact CD1-CE 4.48Å; L121-V144 HydrophobicContact CD1-CG1 4.09Å; L121-V144 HydrophobicContact CD1-CG2 4.42Å; L121-V474 HydrophobicContact CD1-CG1 4.43Å; L121-L478 HydrophobicContact CD1-CD1 3.81Å; L121-L478 HydrophobicContact CD2-CD1 4.37Å; L121-L478 HydrophobicContact CD2-CD2 4.32Å; L121-L478 HydrophobicContact CG-CD1 4.05Å; L121-L478 HydrophobicContact CG-CD2 4.18Å
122A98.6Very high97.8Very high0 Ų012.7 Ų12.70%07%0.066CC..Hα-helixtrans-61.7-47.1175.700000111.8V74 A88 A89 I92 G118 I120 W126V74-A122 HydrophobicContact CG1-CB 4.28Å; V74-A122 HydrophobicContact CG2-CB 4.32Å; V74-A122 WeakPolarHBondContact CG2-O 3.39Å; A88-A122 HydrophobicContact CB-CB 4.06Å; A89-A122 HydrophobicContact CB-CB 3.89Å; I92-A122 HydrophobicContact CD1-CB 4.25Å; G118-A122 WeakPolarHBondContact O-CB 3.24Å; G118-A122 PolarHBondContact O-N 3.27Å; I120-A122 PolarHBondContact O-N 2.8Å; A122-W126 WeakPolarHBondContact O-CB 3.46Å; A122-W126 PolarHBondContact O-N 2.8Å; A122-W126 VanDerWaalsContact O-N 3.09Å
123T98.8Very high97.4Very high0 Ų015 Ų150%09%0.087CC..Hα-helixtrans-64.7-46.6179-56.40000111G119 I120 D125 W126 L127 V183 M186 L187G119-T123 WeakPolarHBondContact O-CB 3.1Å; G119-T123 PolarHBondContact O-N 2.77Å; G119-T123 VanDerWaalsContact O-N 3.08Å; G119-T123 PolarHBondContact O-OG1 2.77Å; I120-T123 PolarHBondContact O-N 3.36Å; T123-D125 PolarHBondContact O-N 3.21Å; T123-W126 PolarHBondContact O-N 3.03Å; T123-L127 HydrophobicContact CG2-CD1 3.85Å; T123-L127 HydrophobicContact CG2-CG 4.28Å; T123-L127 WeakPolarHBondContact O-CB 3.49Å; T123-L127 VanDerWaalsContact O-CG 3.28Å; T123-L127 WeakPolarHBondContact O-CG 3.28Å; T123-L127 PolarHBondContact O-N 3.47Å; T123-V183 HydrophobicContact CG2-CG1 4.04Å; T123-M186 HydrophobicContact CG2-CB 4.31Å; T123-L187 HydrophobicContact CG2-CD2 3.89Å; T123-L187 HydrophobicContact CG2-CG 4.03Å
124A98.7Very high97.2Very high0 Ų018.9 Ų18.90%011%0.114CC..Hα-helixtrans-64.7-40.8-176.900000112.7I120 L121 S128 L139 V144 M186 V474I120-A124 VanDerWaalsContact O-CB 3.3Å; I120-A124 WeakPolarHBondContact O-CB 3.47Å; I120-A124 PolarHBondContact O-N 3.32Å; L121-A124 PolarHBondContact O-N 2.86Å; A124-S128 VanDerWaalsContact O-CB 3.24Å; A124-S128 WeakPolarHBondContact O-CB 3.44Å; A124-S128 PolarHBondContact O-N 3.22Å; A124-S128 PolarHBondContact O-OG 3.14Å; A124-L139 HydrophobicContact CB-CD2 4.26Å; A124-V144 HydrophobicContact CB-CG2 3.76Å; A124-M186 HydrophobicContact CB-SD 4.37Å; A124-V474 HydrophobicContact CB-CG1 3.97Å; A124-V474 HydrophobicContact CB-CG2 4.18Å
125D98.6Very high96.8Very high0 Ų022.4 Ų22.40%015%0.151CC..Hα-helixtrans-66.2-45.9175.7-175.751.6000111.6V74 R75 L121 T123 L127 S128 R129 V474 N475 L478V74-D125 VanDerWaalsContact CA-OD2 3.23Å; V74-D125 WeakPolarHBondContact CA-OD2 3.41Å; V74-D125 HydrophobicContact CG1-CB 4.15Å; R75-D125 PolarHBondContact N-OD2 3.32Å; L121-D125 VanDerWaalsContact O-CB 3.32Å; L121-D125 WeakPolarHBondContact O-CB 3.39Å; L121-D125 PolarHBondContact O-N 3.31Å; T123-D125 PolarHBondContact O-N 3.21Å; D125-L127 PolarHBondContact O-N 2.99Å; D125-S128 PolarHBondContact O-N 3.5Å; D125-R129 WeakPolarHBondContact O-CG 3.37Å; D125-R129 PolarHBondContact O-N 2.94Å; D125-R129 IonicContact OD1-CZ 2.6Å; D125-R129 IonicContact OD1-NE 3.61Å; D125-R129 PolarHBondContact OD1-NE 2.71Å; D125-R129 IonicContact OD1-NH2 3.11Å; D125-R129 PolarHBondContact OD1-NH2 3.06Å; D125-R129 IonicContact OD2-CZ 3.9Å; D125-R129 IonicContact OD2-NE 2.65Å; D125-R129 PolarHBondContact OD2-NE 3.22Å; D125-R129 IonicContact OD2-NH2 2.72Å; D125-R129 PolarHBondContact OD2-NH2 2.78Å; D125-V474 HydrophobicContact CB-CG1 4.11Å; D125-N475 VanDerWaalsContact OD1-CA 3.23Å; D125-N475 WeakPolarHBondContact OD1-CA 3.47Å; D125-L478 HydrophobicContact CB-CD1 4.48Å; D125-L478 HydrophobicContact CB-CD2 3.8Å
126W98.5Very high96.7Very high59 Ų5929.5 Ų29.522%0.22318%0.182CC..Hα-helixtrans-58.7-49.1177.3175.459.5000112.1V74 P85 A122 T123 S128 R129 N130 L187 L237V74-W126 HydrophobicContact CG2-CB 3.59Å; P85-W126 HydrophobicContact CB-CB 4.09Å; P85-W126 HydrophobicContact CB-CD2 4.11Å; P85-W126 HydrophobicContact CB-CE3 4.21Å; P85-W126 HydrophobicContact CB-CG 4.06Å; P85-W126 HydrophobicContact CG-CD2 3.76Å; P85-W126 HydrophobicContact CG-CE3 3.97Å; P85-W126 HydrophobicContact CG-CG 4.04Å; P85-W126 HydrophobicContact CG-CZ3 4.44Å; A122-W126 WeakPolarHBondContact O-CB 3.46Å; A122-W126 PolarHBondContact O-N 2.8Å; A122-W126 VanDerWaalsContact O-N 3.09Å; T123-W126 PolarHBondContact O-N 3.03Å; W126-S128 VanDerWaalsContact C-N 3.33Å; W126-S128 PolarHBondContact O-N 2.66Å; W126-R129 PolarHBondContact O-N 2.57Å; W126-N130 PolarHBondContact NE1-ND2 3.22Å; W126-N130 VanDerWaalsContact NE1-ND2 3.14Å; W126-N130 PolarHBondContact O-N 2.83Å; W126-N130 PolarHBondContact O-ND2 3.28Å; W126-L187 HydrophobicContact CE3-CD2 4.36Å; W126-L187 HydrophobicContact CZ3-CD2 3.66Å; W126-L237 HydrophobicContact CH2-CD2 4.18Å; W126-L237 HydrophobicContact CZ3-CD2 4.18Å
127L98.6Very high96.6Very high33 Ų3333.7 Ų33.717%0.17322%0.216CC..Hα-helixtrans-61.1-43.4177.5-71.4176.1000111.3T123 D125 N130 A131 L139 M186 L187T123-L127 HydrophobicContact CG2-CD1 3.85Å; T123-L127 HydrophobicContact CG2-CG 4.28Å; T123-L127 WeakPolarHBondContact O-CB 3.49Å; T123-L127 VanDerWaalsContact O-CG 3.28Å; T123-L127 WeakPolarHBondContact O-CG 3.28Å; T123-L127 PolarHBondContact O-N 3.47Å; D125-L127 PolarHBondContact O-N 2.99Å; L127-N130 PolarHBondContact O-N 3.37Å; L127-A131 VanDerWaalsContact O-CB 3.27Å; L127-A131 WeakPolarHBondContact O-CB 3.37Å; L127-A131 PolarHBondContact O-N 2.66Å; L127-L139 HydrophobicContact CB-CD1 3.79Å; L127-L139 HydrophobicContact CD1-CD1 4.49Å; L127-L139 HydrophobicContact CD1-CD2 4.26Å; L127-M186 HydrophobicContact CD1-CB 4.44Å; L127-M186 WeakPolarHBondContact CD1-O 3.31Å; L127-L187 HydrophobicContact CD1-CD2 4.34Å; L127-L187 HydrophobicContact CD2-CD2 4.16Å
128S98.6Very high96.6Very high0 Ų035.2 Ų35.20%023%0.226CC..Hα-helixtrans-63.2-45.5179.5-62.50000112.3A124 D125 W126 N130 A131 V132 L139 N475A124-S128 VanDerWaalsContact O-CB 3.24Å; A124-S128 WeakPolarHBondContact O-CB 3.44Å; A124-S128 PolarHBondContact O-N 3.22Å; A124-S128 PolarHBondContact O-OG 3.14Å; D125-S128 PolarHBondContact O-N 3.5Å; W126-S128 VanDerWaalsContact C-N 3.33Å; W126-S128 PolarHBondContact O-N 2.66Å; S128-N130 PolarHBondContact O-N 3.12Å; S128-A131 PolarHBondContact O-N 3.33Å; S128-V132 WeakPolarHBondContact O-CG2 3.33Å; S128-V132 PolarHBondContact O-N 2.83Å; S128-L139 WeakPolarHBondContact OG-CB 3.36Å; S128-L139 PolarHBondContact OG-N 2.96Å; S128-N475 WeakPolarHBondContact CB-OD1 3.4Å
129R96.9Very high96.6Very high19 Ų1936.5 Ų36.57%0.07223%0.233CC..Hα-helixtrans-63.4-41.3177.7-69.8177.1-168.2-69.5-14.5112.1N72 G73 D125 W126 A133 N475 D479N72-R129 HydrophobicContact CB-CB 4.18Å; G73-R129 WeakPolarHBondContact O-CD 3.46Å; D125-R129 WeakPolarHBondContact O-CG 3.37Å; D125-R129 PolarHBondContact O-N 2.94Å; D125-R129 IonicContact OD1-CZ 2.6Å; D125-R129 IonicContact OD1-NE 3.61Å; D125-R129 PolarHBondContact OD1-NE 2.71Å; D125-R129 IonicContact OD1-NH2 3.11Å; D125-R129 PolarHBondContact OD1-NH2 3.06Å; D125-R129 IonicContact OD2-CZ 3.9Å; D125-R129 IonicContact OD2-NE 2.65Å; D125-R129 PolarHBondContact OD2-NE 3.22Å; D125-R129 IonicContact OD2-NH2 2.72Å; D125-R129 PolarHBondContact OD2-NH2 2.78Å; W126-R129 PolarHBondContact O-N 2.57Å; R129-A133 VanDerWaalsContact O-CB 3.3Å; R129-A133 WeakPolarHBondContact O-CB 3.4Å; R129-A133 PolarHBondContact O-N 3.19Å; R129-N475 HydrophobicContact CG-CB 3.69Å; R129-N475 PolarHBondContact NH2-O 2.83Å; R129-D479 IonicContact CZ-OD1 3.86Å; R129-D479 VanDerWaalsContact CZ-OD1 3.31Å; R129-D479 IonicContact NH1-OD1 3.6Å; R129-D479 PolarHBondContact NH1-OD1 3.35Å; R129-D479 IonicContact NH1-OD2 2.92Å; R129-D479 IonicContact NH2-OD1 3.61Å; R129-D479 PolarHBondContact NH2-OD1 2.99Å
130N97.1Very high96.6Very high52 Ų5238.6 Ų38.628%0.27825%0.246SC..Hα-helixtrans-71-35176.9-78-82.5000112.6N72 W126 L127 S128 S134N72-N130 PolarHBondContact O-ND2 3.31Å; W126-N130 PolarHBondContact NE1-ND2 3.22Å; W126-N130 VanDerWaalsContact NE1-ND2 3.14Å; W126-N130 PolarHBondContact O-N 2.83Å; W126-N130 PolarHBondContact O-ND2 3.28Å; L127-N130 PolarHBondContact O-N 3.37Å; S128-N130 PolarHBondContact O-N 3.12Å; N130-S134 WeakPolarHBondContact O-CB 3.43Å; N130-S134 PolarHBondContact O-N 3Å; N130-S134 PolarHBondContact O-OG 3.2Å
131A97.2Very high96.6Very high16 Ų1638.6 Ų38.613%0.13225%0.246CC..Hα-helixtrans-61-52.4172.700000110.5L127 S128 A133 S134 G135 K136 A137L127-A131 VanDerWaalsContact O-CB 3.27Å; L127-A131 WeakPolarHBondContact O-CB 3.37Å; L127-A131 PolarHBondContact O-N 2.66Å; S128-A131 PolarHBondContact O-N 3.33Å; A131-A133 PolarHBondContact O-N 3.45Å; A131-S134 CarbonylContact O-C 3.48Å; A131-S134 WeakPolarHBondContact O-CA 3.48Å; A131-S134 PolarHBondContact O-N 2.87Å; A131-G135 PolarHBondContact O-N 3Å; A131-G135 VanDerWaalsContact O-N 3.12Å; A131-K136 CarbonylContact C-O 3.56Å; A131-K136 HydrophobicContact CB-CB 4.01Å; A131-K136 WeakPolarHBondContact O-CA 3.48Å; A131-K136 PolarHBondContact O-N 3.02Å; A131-A137 WeakPolarHBondContact CB-O 3.36Å
132V93.3Very high96.6Very high72 Ų7243.1 Ų43.144%0.43627%0.266SS..Hα-helixtrans-58.6-46177.4171.20000111.4S128 S134 G135 P138S128-V132 WeakPolarHBondContact O-CG2 3.33Å; S128-V132 PolarHBondContact O-N 2.83Å; V132-S134 PolarHBondContact O-N 3.01Å; V132-S134 VanDerWaalsContact O-N 3.16Å; V132-G135 PolarHBondContact O-N 3.38Å; V132-P138 HydrophobicContact CG2-CB 3.94Å; V132-P138 HydrophobicContact CG2-CG 4.04Å
133A87.1Confident96.5Very high61 Ų6147.5 Ų47.550%0.50429%0.286SS..Hα-helixtrans-61.2-24.3176.900000113.3N72 R129 A131N72-A133 VanDerWaalsContact ND2-CB 3.34Å; N72-A133 WeakPolarHBondContact ND2-CB 3.43Å; R129-A133 VanDerWaalsContact O-CB 3.3Å; R129-A133 WeakPolarHBondContact O-CB 3.4Å; R129-A133 PolarHBondContact O-N 3.19Å; A131-A133 PolarHBondContact O-N 3.45Å
134S91.4Very high96.5Very high82 Ų8247.5 Ų47.557%0.57329%0.286SS*.THydrogen-bonded Turntrans-99.210.6177-51.50000113.3N130 A131 V132 K136N130-S134 WeakPolarHBondContact O-CB 3.43Å; N130-S134 PolarHBondContact O-N 3Å; N130-S134 PolarHBondContact O-OG 3.2Å; A131-S134 CarbonylContact O-C 3.48Å; A131-S134 WeakPolarHBondContact O-CA 3.48Å; A131-S134 PolarHBondContact O-N 2.87Å; V132-S134 PolarHBondContact O-N 3.01Å; V132-S134 VanDerWaalsContact O-N 3.16Å; S134-K136 VanDerWaalsContact C-N 3.31Å; S134-K136 PolarHBondContact O-N 3.35Å
135G89.9Confident96.5Very high74 Ų7447.5 Ų47.576%0.76329%0.286SS*.THydrogen-bonded Turntrans69.821.3-178.800000115A131 V132A131-G135 PolarHBondContact O-N 3Å; A131-G135 VanDerWaalsContact O-N 3.12Å; V132-G135 PolarHBondContact O-N 3.38Å
136K96Very high96.5Very high150 Ų15048.8 Ų48.865%0.65229%0.294SS*.PPolyproline II helixtrans-103159.4177.1-62.2179.9-178.6178.30110.9A131 S134A131-K136 CarbonylContact C-O 3.56Å; A131-K136 HydrophobicContact CB-CB 4.01Å; A131-K136 WeakPolarHBondContact O-CA 3.48Å; A131-K136 PolarHBondContact O-N 3.02Å; S134-K136 VanDerWaalsContact C-N 3.31Å; S134-K136 PolarHBondContact O-N 3.35Å
137A96.7Very high96.6Very high87 Ų8746 Ų4672%0.71928%0.284SS*.PPolyproline II helixtrans-65.7134.3175.200000111.1A131A131-A137 WeakPolarHBondContact CB-O 3.36Å
138P97.9Very high96.6Very high34 Ų3444.5 Ų44.522%0.22128%0.275CS..PPolyproline II helixtrans-71.3168.3173.229.2-33.3000112V132 P473 N475V132-P138 HydrophobicContact CG2-CB 3.94Å; V132-P138 HydrophobicContact CG2-CG 4.04Å; P138-P473 HydrophobicContact CB-CB 4.1Å; P138-P473 HydrophobicContact CG-CB 3.56Å; P138-P473 HydrophobicContact CG-CG 3.86Å; P138-N475 WeakPolarHBondContact CB-OD1 3.45Å
139L98.3Very high96.6Very high26 Ų2644.5 Ų44.514%0.13628%0.275CS..PPolyproline II helixtrans-72.7153.5167.7-74.668.5000109.4A124 L127 S128 P473 V474A124-L139 HydrophobicContact CB-CD2 4.26Å; L127-L139 HydrophobicContact CB-CD1 3.79Å; L127-L139 HydrophobicContact CD1-CD1 4.49Å; L127-L139 HydrophobicContact CD1-CD2 4.26Å; S128-L139 WeakPolarHBondContact OG-CB 3.36Å; S128-L139 PolarHBondContact OG-N 2.96Å; L139-P473 WeakPolarHBondContact O-CA 3.35Å; L139-V474 HydrophobicContact CB-CG2 4.18Å; L139-V474 WeakPolarHBondContact O-CG2 3.31Å; L139-V474 PolarHBondContact O-N 3.03Å
140T98.5Very high96.7Very high45 Ų4544 Ų4428%0.27627%0.274SS..BIsolated β-bridgetrans-99.1156.1177.460.20000111.5K142 Q143 V144 E470 M472T140-K142 PolarHBondContact O-N 3.02Å; T140-Q143 WeakPolarHBondContact O-CB 3.4Å; T140-Q143 PolarHBondContact O-N 3.06Å; T140-Q143 PolarHBondContact OG1-OE1 2.97Å; T140-V144 PolarHBondContact O-N 3.41Å; T140-E470 WeakPolarHBondContact CB-O 3.39Å; T140-M472 WeakPolarHBondContact CA-O 3.41Å
141M98.6Very high96.7Very high0 Ų041.6 Ų41.60%026%0.261CS..Hα-helixtrans-63.2-23.6173.8-70.9-59-57.900112.8L41 L121 Q143 V144 L145 L469 M472 V474 Y477L41-M141 HydrophobicContact CD1-CE 4.35Å; L41-M141 HydrophobicContact CD2-CE 3.57Å; L121-M141 HydrophobicContact CD1-CE 4.48Å; M141-Q143 VanDerWaalsContact C-N 3.27Å; M141-Q143 PolarHBondContact O-N 3.27Å; M141-V144 HydrophobicContact CE-CB 4.06Å; M141-V144 HydrophobicContact CE-CG1 3.98Å; M141-V144 HydrophobicContact CE-CG2 4.36Å; M141-V144 WeakPolarHBondContact O-CB 3.49Å; M141-V144 PolarHBondContact O-N 3.15Å; M141-V144 VanDerWaalsContact O-N 3.11Å; M141-V144 HydrophobicContact SD-CB 4.44Å; M141-V144 HydrophobicContact SD-CG2 4.15Å; M141-L145 WeakPolarHBondContact O-CG 3.31Å; M141-L145 PolarHBondContact O-N 3.18Å; M141-L469 HydrophobicContact CB-CD1 4.24Å; M141-L469 HydrophobicContact CB-CG 4.33Å; M141-L469 VanDerWaalsContact CB-O 3.28Å; M141-L469 WeakPolarHBondContact CB-O 3.35Å; M141-L469 HydrophobicContact CG-CD1 4.05Å; M141-M472 PolarHBondContact N-O 3.21Å; M141-V474 HydrophobicContact SD-CB 4.21Å; M141-V474 HydrophobicContact SD-CG1 4.21Å; M141-V474 HydrophobicContact SD-CG2 3.84Å; M141-Y477 HydrophobicContact CE-CD1 3.64Å; M141-Y477 HydrophobicContact CE-CE1 3.81Å; M141-Y477 HydrophobicContact CE-CG 4.48Å; M141-Y477 HydrophobicContact CG-CD1 4.12Å; M141-Y477 HydrophobicContact CG-CG 4.06Å; M141-Y477 HydrophobicContact SD-CD1 3.53Å; M141-Y477 VanDerWaalsContact SD-CD1 3.53Å; M141-Y477 HydrophobicContact SD-CE1 4.33Å; M141-Y477 HydrophobicContact SD-CG 4Å
142K98.4Very high96.8Very high96 Ų9640.9 Ų40.942%0.41726%0.255SS..Hα-helixtrans-56.7-42.4169.9-175.1169.7-179171.50112.1T140 V144 L145 T146 E470T140-K142 PolarHBondContact O-N 3.02Å; K142-V144 VanDerWaalsContact C-N 3.29Å; K142-V144 PolarHBondContact O-N 3.14Å; K142-L145 PolarHBondContact O-N 2.83Å; K142-T146 PolarHBondContact O-N 3.02Å; K142-T146 PolarHBondContact O-OG1 3.16Å; K142-E470 HydrophobicContact CB-CB 3.98Å; K142-E470 HydrophobicContact CB-CG 4.13Å; K142-E470 WeakPolarHBondContact CB-O 3.46Å; K142-E470 HydrophobicContact CG-CG 4.37Å; K142-E470 PolarHBondContact N-O 3.02Å
143Q98.4Very high97Very high92 Ų9237.5 Ų37.543%0.4323%0.234SC..Hα-helixtrans-65.3-34.7176.9-66169-88.700111.8T140 M141 T146 A147T140-Q143 WeakPolarHBondContact O-CB 3.4Å; T140-Q143 PolarHBondContact O-N 3.06Å; T140-Q143 PolarHBondContact OG1-OE1 2.97Å; M141-Q143 VanDerWaalsContact C-N 3.27Å; M141-Q143 PolarHBondContact O-N 3.27Å; Q143-T146 PolarHBondContact O-N 2.89Å; Q143-A147 WeakPolarHBondContact O-CB 3.42Å; Q143-A147 PolarHBondContact O-N 3.39Å
144V98.7Very high97.6Very high0 Ų034.6 Ų34.60%021%0.21CC..Hα-helixtrans-63-47.3172173.90000110.7L117 I120 L121 A124 T140 M141 K142 T146 A147 M148 V474L117-V144 HydrophobicContact CD1-CG1 4Å; I120-V144 HydrophobicContact CG2-CG1 4Å; L121-V144 HydrophobicContact CD1-CG1 4.09Å; L121-V144 HydrophobicContact CD1-CG2 4.42Å; A124-V144 HydrophobicContact CB-CG2 3.76Å; T140-V144 PolarHBondContact O-N 3.41Å; M141-V144 HydrophobicContact CE-CB 4.06Å; M141-V144 HydrophobicContact CE-CG1 3.98Å; M141-V144 HydrophobicContact CE-CG2 4.36Å; M141-V144 WeakPolarHBondContact O-CB 3.49Å; M141-V144 PolarHBondContact O-N 3.15Å; M141-V144 VanDerWaalsContact O-N 3.11Å; M141-V144 HydrophobicContact SD-CB 4.44Å; M141-V144 HydrophobicContact SD-CG2 4.15Å; K142-V144 VanDerWaalsContact C-N 3.29Å; K142-V144 PolarHBondContact O-N 3.14Å; V144-T146 PolarHBondContact O-N 3.04Å; V144-A147 PolarHBondContact O-N 3.26Å; V144-M148 HydrophobicContact CG1-SD 4.26Å; V144-M148 VanDerWaalsContact O-CG 3.32Å; V144-M148 WeakPolarHBondContact O-CG 3.37Å; V144-M148 PolarHBondContact O-N 3.01Å; V144-V474 HydrophobicContact CG2-CG1 4.39Å; V144-V474 HydrophobicContact CG2-CG2 3.6Å
145L98.7Very high97.9Very high0 Ų030.9 Ų30.90%018%0.184CC..Hα-helixtrans-62.3-41.6177.5-63.8-177.2000112Y34 A37 L41 M141 K142 M148 I149 E470Y34-L145 HydrophobicContact CD1-CB 4.2Å; Y34-L145 HydrophobicContact CE1-CB 4.34Å; A37-L145 HydrophobicContact CB-CB 4.46Å; A37-L145 HydrophobicContact CB-CD2 4.25Å; L41-L145 HydrophobicContact CB-CD2 4.13Å; L41-L145 HydrophobicContact CD2-CD2 4.01Å; M141-L145 WeakPolarHBondContact O-CG 3.31Å; M141-L145 PolarHBondContact O-N 3.18Å; K142-L145 PolarHBondContact O-N 2.83Å; L145-M148 HydrophobicContact CD2-SD 4.04Å; L145-M148 WeakPolarHBondContact O-CB 3.38Å; L145-M148 PolarHBondContact O-N 3.14Å; L145-I149 VanDerWaalsContact O-CG1 3.28Å; L145-I149 WeakPolarHBondContact O-CG1 3.12Å; L145-I149 PolarHBondContact O-N 3Å; L145-E470 HydrophobicContact CD1-CG 3.96Å
146T98.7Very high98.2Very high27 Ų2727.3 Ų27.317%0.16615%0.147CC..Hα-helixtrans-61.6-44.6175.1-55.50000111.5I28 Y34 K142 Q143 V144 M148 I149 K150I28-T146 HydrophobicContact CG1-CG2 4.09Å; Y34-T146 PolarHBondContact OH-OG1 3.26Å; K142-T146 PolarHBondContact O-N 3.02Å; K142-T146 PolarHBondContact O-OG1 3.16Å; Q143-T146 PolarHBondContact O-N 2.89Å; V144-T146 PolarHBondContact O-N 3.04Å; T146-M148 VanDerWaalsContact C-N 3.33Å; T146-M148 PolarHBondContact O-N 3.39Å; T146-I149 PolarHBondContact O-N 2.69Å; T146-K150 HydrophobicContact CG2-CD 4.45Å; T146-K150 PolarHBondContact O-N 2.76Å
147A98.7Very high98.3Very high1 Ų120.2 Ų20.21%0.00812%0.117CC..Hα-helixtrans-63.9-37.6176.600000112.1I120 Q143 V144 K150 A151 V182 M186I120-A147 HydrophobicContact CD1-CB 4.19Å; I120-A147 HydrophobicContact CG1-CB 4.26Å; I120-A147 HydrophobicContact CG2-CB 3.77Å; Q143-A147 WeakPolarHBondContact O-CB 3.42Å; Q143-A147 PolarHBondContact O-N 3.39Å; V144-A147 PolarHBondContact O-N 3.26Å; A147-K150 PolarHBondContact O-N 3.19Å; A147-A151 WeakPolarHBondContact O-CB 3.45Å; A147-A151 PolarHBondContact O-N 3.49Å; A147-V182 HydrophobicContact CB-CB 4.39Å; A147-M186 HydrophobicContact CB-CE 4.42Å; A147-M186 HydrophobicContact CB-SD 4.12Å
148M98.7Very high98.3Very high0 Ų016.1 Ų16.10%08%0.083CC..Hα-helixtrans-60.2-50.2172.6-70.8171.367.500110.8C40 L41 L117 I120 V144 L145 T146 K150 A151 H152 M278C40-M148 HydrophobicContact CB-CE 4.21Å; L41-M148 HydrophobicContact CB-CE 4.08Å; L41-M148 HydrophobicContact CB-SD 4.19Å; L41-M148 HydrophobicContact CD1-SD 4.08Å; L117-M148 HydrophobicContact CD1-CG 4Å; L117-M148 HydrophobicContact CD1-SD 3.79Å; I120-M148 HydrophobicContact CD1-CG 4.16Å; V144-M148 HydrophobicContact CG1-SD 4.26Å; V144-M148 VanDerWaalsContact O-CG 3.32Å; V144-M148 WeakPolarHBondContact O-CG 3.37Å; V144-M148 PolarHBondContact O-N 3.01Å; L145-M148 HydrophobicContact CD2-SD 4.04Å; L145-M148 WeakPolarHBondContact O-CB 3.38Å; L145-M148 PolarHBondContact O-N 3.14Å; T146-M148 VanDerWaalsContact C-N 3.33Å; T146-M148 PolarHBondContact O-N 3.39Å; M148-K150 VanDerWaalsContact C-N 3.3Å; M148-K150 PolarHBondContact O-N 3.47Å; M148-A151 PolarHBondContact O-N 3.48Å; M148-H152 WeakPolarHBondContact O-CB 3.48Å; M148-H152 PolarHBondContact O-N 3.22Å; M148-H152 PolarHBondContact O-ND1 3.48Å; M148-M278 HydrophobicContact CB-CE 4.12Å
149I98.8Very high98.2Very high0 Ų014.7 Ų14.70%07%0.073CC..Hα-helixtrans-56.2-47.1179.3-64.2163.3000110.7I28 A33 Y34 A37 L145 T146 H152 E153 M278I28-I149 HydrophobicContact CD1-CG2 3.77Å; I28-I149 HydrophobicContact CG1-CG2 4.1Å; I28-I149 HydrophobicContact CG2-CD1 3.83Å; I28-I149 HydrophobicContact CG2-CG2 3.96Å; A33-I149 HydrophobicContact CB-CD1 4.03Å; A33-I149 HydrophobicContact CB-CG1 4.35Å; A33-I149 HydrophobicContact CB-CG2 4.21Å; Y34-I149 HydrophobicContact CD1-CD1 3.71Å; Y34-I149 HydrophobicContact CD2-CD1 4.37Å; Y34-I149 HydrophobicContact CE1-CD1 3.81Å; Y34-I149 HydrophobicContact CE2-CD1 4.47Å; Y34-I149 HydrophobicContact CG-CD1 4Å; A37-I149 HydrophobicContact CB-CD1 4.06Å; A37-I149 HydrophobicContact CB-CG1 3.76Å; L145-I149 VanDerWaalsContact O-CG1 3.28Å; L145-I149 WeakPolarHBondContact O-CG1 3.12Å; L145-I149 PolarHBondContact O-N 3Å; T146-I149 PolarHBondContact O-N 2.69Å; I149-H152 PolarHBondContact O-N 3.13Å; I149-E153 WeakPolarHBondContact O-CB 3.09Å; I149-E153 PolarHBondContact O-N 2.95Å; I149-M278 HydrophobicContact CG1-CB 4.35Å; I149-M278 HydrophobicContact CG1-CE 4.18Å; I149-M278 HydrophobicContact CG1-CG 4.01Å; I149-M278 HydrophobicContact CG2-CB 4.26Å
150K98.8Very high97.9Very high10 Ų1014.1 Ų14.14%0.0437%0.071CC..Hα-helixtrans-64-44179.4-71.6178.6174.4-178.30112.6Y22 V23 Y26 I28 T146 A147 M148 E153 I154 V182 E185Y22-K150 HydrophobicContact CE1-CB 3.76Å; Y22-K150 HydrophobicContact CE1-CG 3.85Å; Y22-K150 WeakPolarHBondContact OH-CA 3.32Å; V23-K150 PolarHBondContact O-NZ 3.48Å; Y26-K150 WeakPolarHBondContact O-CE 3.43Å; I28-K150 HydrophobicContact CD1-CG 4.25Å; I28-K150 HydrophobicContact CG1-CG 4.33Å; T146-K150 HydrophobicContact CG2-CD 4.45Å; T146-K150 PolarHBondContact O-N 2.76Å; A147-K150 PolarHBondContact O-N 3.19Å; M148-K150 VanDerWaalsContact C-N 3.3Å; M148-K150 PolarHBondContact O-N 3.47Å; K150-E153 PolarHBondContact O-N 2.97Å; K150-I154 WeakPolarHBondContact O-CD1 3.25Å; K150-I154 WeakPolarHBondContact O-CG1 3.24Å; K150-I154 PolarHBondContact O-N 3.02Å; K150-V182 HydrophobicContact CB-CG1 3.91Å; K150-E185 IonicContact NZ-OE1 3.38Å; K150-E185 PolarHBondContact NZ-OE1 3.26Å; K150-E185 IonicContact NZ-OE2 3.43Å
151A98.7Very high97.7Very high0 Ų016.6 Ų16.60%08%0.079CC..Hα-helixtrans-66.1-42.9179.100000111.9N116 I120 A147 M148 E153 I154 Q155 A178 V182N116-A151 HydrophobicContact CB-CB 3.7Å; I120-A151 HydrophobicContact CD1-CB 4.04Å; A147-A151 WeakPolarHBondContact O-CB 3.45Å; A147-A151 PolarHBondContact O-N 3.49Å; M148-A151 PolarHBondContact O-N 3.48Å; A151-E153 VanDerWaalsContact C-N 3.3Å; A151-E153 PolarHBondContact O-N 3.17Å; A151-I154 PolarHBondContact O-N 2.69Å; A151-Q155 WeakPolarHBondContact O-CB 3.42Å; A151-Q155 PolarHBondContact O-N 2.7Å; A151-A178 HydrophobicContact CB-CB 4.33Å; A151-A178 WeakPolarHBondContact O-CB 3.2Å; A151-V182 HydrophobicContact CB-CG1 4.04Å; A151-V182 HydrophobicContact CB-CG2 4.14Å
152H98.4Very high97.5Very high1 Ų116.8 Ų16.81%0.0058%0.08CC..Hα-helixtrans-56.4-46.4173.5-78.750000111.1D103 P113 S114 M148 I149 G156 V277 M278D103-H152 IonicContact OD2-CD2 3.7Å; D103-H152 IonicContact OD2-CE1 3.71Å; D103-H152 IonicContact OD2-NE2 3.67Å; D103-H152 PolarHBondContact OD2-NE2 3.01Å; P113-H152 HydrophobicContact CB-CB 4.08Å; P113-H152 VanDerWaalsContact CB-CD2 3.45Å; P113-H152 WeakPolarHBondContact CB-CD2 3.15Å; P113-H152 PolarHBondContact O-CE1 3.25Å; P113-H152 PolarHBondContact O-ND1 3.24Å; S114-H152 PolarHBondContact N-CE1 3.18Å; S114-H152 PolarHBondContact N-NE2 2.81Å; M148-H152 WeakPolarHBondContact O-CB 3.48Å; M148-H152 PolarHBondContact O-N 3.22Å; M148-H152 PolarHBondContact O-ND1 3.48Å; I149-H152 PolarHBondContact O-N 3.13Å; H152-G156 PolarHBondContact O-N 2.74Å; H152-V277 HydrophobicContact CB-CG1 4.23Å; H152-V277 WeakPolarHBondContact O-CG1 3.5Å; H152-M278 HydrophobicContact CB-CE 4Å; H152-M278 WeakPolarHBondContact CD2-CE 3.29Å
153E98.6Very high97.2Very high2 Ų212.8 Ų12.81%0.0096%0.064CC..Hα-helixtrans-62.3-47.9-179.8-168.671.8177.200112.4Y22 I149 K150 A151 G156 C157 Y273 G274 S275 Y276 V277Y22-E153 HydrophobicContact CE1-CB 4.14Å; Y22-E153 HydrophobicContact CE1-CG 4.4Å; Y22-E153 HydrophobicContact CE2-CG 4.46Å; Y22-E153 VanDerWaalsContact OH-CB 3.29Å; Y22-E153 WeakPolarHBondContact OH-CB 2.95Å; I149-E153 WeakPolarHBondContact O-CB 3.09Å; I149-E153 PolarHBondContact O-N 2.95Å; K150-E153 PolarHBondContact O-N 2.97Å; A151-E153 VanDerWaalsContact C-N 3.3Å; A151-E153 PolarHBondContact O-N 3.17Å; E153-G156 PolarHBondContact O-N 3.12Å; E153-C157 WeakPolarHBondContact O-CB 3.34Å; E153-C157 PolarHBondContact O-N 3.27Å; E153-C157 PolarHBondContact OE1-SG 3.17Å; E153-Y273 HydrophobicContact CG-CD1 4.18Å; E153-G274 VanDerWaalsContact CD-C 3.45Å; E153-G274 WeakPolarHBondContact CG-O 3.27Å; E153-G274 WeakPolarHBondContact OE1-CA 3.49Å; E153-G274 PolarHBondContact OE1-N 3.26Å; E153-S275 PolarHBondContact OE1-N 2.86Å; E153-S275 VanDerWaalsContact OE2-C 3.23Å; E153-Y276 PolarHBondContact OE1-N 3.27Å; E153-Y276 PolarHBondContact OE2-N 3.05Å; E153-V277 WeakPolarHBondContact OE2-CB 3.3Å; E153-V277 WeakPolarHBondContact OE2-CG2 3.22Å; E153-V277 PolarHBondContact OE2-N 3.2Å
154I98.6Very high97Very high0 Ų08.4 Ų8.40%04%0.044CC..Hα-helixtrans-60.4-53.4179.9-66.6157.7000110.4I19 Y22 V23 K150 A151 G156 I158 A178 A181I19-I154 HydrophobicContact CD1-CG2 4.22Å; I19-I154 HydrophobicContact CG1-CG2 4.09Å; I19-I154 HydrophobicContact CG2-CD1 4.02Å; I19-I154 HydrophobicContact CG2-CG1 4.38Å; I19-I154 HydrophobicContact CG2-CG2 4.26Å; Y22-I154 HydrophobicContact CD1-CD1 4.09Å; Y22-I154 HydrophobicContact CD1-CG1 3.87Å; Y22-I154 HydrophobicContact CE1-CD1 4.28Å; Y22-I154 HydrophobicContact CE1-CG1 4.02Å; V23-I154 HydrophobicContact CG1-CD1 3.48Å; V23-I154 VanDerWaalsContact CG1-CD1 3.48Å; K150-I154 WeakPolarHBondContact O-CD1 3.25Å; K150-I154 WeakPolarHBondContact O-CG1 3.24Å; K150-I154 PolarHBondContact O-N 3.02Å; A151-I154 PolarHBondContact O-N 2.69Å; I154-G156 PolarHBondContact O-N 3.49Å; I154-I158 HydrophobicContact CG2-CD1 3.87Å; I154-I158 WeakPolarHBondContact O-CD1 3.3Å; I154-I158 VanDerWaalsContact O-CG1 3.24Å; I154-I158 WeakPolarHBondContact O-CG1 3.45Å; I154-I158 PolarHBondContact O-N 3.33Å; I154-A178 HydrophobicContact CB-CB 4Å; I154-A178 HydrophobicContact CG2-CB 3.93Å; I154-A181 HydrophobicContact CD1-CB 4.15Å
155Q98Very high96.6Very high3 Ų39.3 Ų9.31%0.0145%0.049CC..Hα-helixtrans-60.3-48.4-179.6169.8170.2-19.800111.1H112 N116 A151 A159 L174 A178H112-Q155 PolarHBondContact O-NE2 3.38Å; N116-Q155 PolarHBondContact ND2-OE1 3.33Å; A151-Q155 WeakPolarHBondContact O-CB 3.42Å; A151-Q155 PolarHBondContact O-N 2.7Å; Q155-A159 VanDerWaalsContact O-CB 3.27Å; Q155-A159 WeakPolarHBondContact O-CB 3.46Å; Q155-A159 PolarHBondContact O-N 3.24Å; Q155-A159 VanDerWaalsContact O-N 3.09Å; Q155-L174 HydrophobicContact CB-CB 4.35Å; Q155-L174 HydrophobicContact CG-CB 3.84Å; Q155-A178 HydrophobicContact CB-CB 4.09Å
156G96.5Very high96.2Very high0 Ų018 Ų180%08%0.081CC..Hα-helixtrans-71-40.4-173.500000113.3W105 H152 E153 I154 A159 L160W105-G156 PolarHBondContact NE1-O 3.44Å; H152-G156 PolarHBondContact O-N 2.74Å; E153-G156 PolarHBondContact O-N 3.12Å; I154-G156 PolarHBondContact O-N 3.49Å; G156-A159 WeakPolarHBondContact O-CB 3.48Å; G156-A159 PolarHBondContact O-N 3.18Å; G156-L160 WeakPolarHBondContact O-CG 3.39Å; G156-L160 PolarHBondContact O-N 3.28Å; G156-L160 VanDerWaalsContact O-N 3.11Å
157C97.1Very high95.9Very high1 Ų118.5 Ų18.51%0.0079%0.085CC..Hα-helixtrans-69.6-36.9179.3-770000112.6E153 A159 Y273E153-C157 WeakPolarHBondContact O-CB 3.34Å; E153-C157 PolarHBondContact O-N 3.27Å; E153-C157 PolarHBondContact OE1-SG 3.17Å; C157-A159 VanDerWaalsContact C-N 3.3Å; C157-Y273 HydrophobicContact CB-CD1 3.82Å; C157-Y273 HydrophobicContact CB-CE1 3.76Å
158I97.4Very high95.7Very high1 Ų120.1 Ų20.11%0.00510%0.101CC..Hα-helixtrans-63.4-41.2170.6-63.1165.3000109.7I19 I154 L160 N162 F164 L174 F269I19-I158 HydrophobicContact CD1-CD1 4.07Å; I154-I158 HydrophobicContact CG2-CD1 3.87Å; I154-I158 WeakPolarHBondContact O-CD1 3.3Å; I154-I158 VanDerWaalsContact O-CG1 3.24Å; I154-I158 WeakPolarHBondContact O-CG1 3.45Å; I154-I158 PolarHBondContact O-N 3.33Å; I158-L160 VanDerWaalsContact C-N 3.33Å; I158-L160 PolarHBondContact O-N 3.22Å; I158-N162 VanDerWaalsContact O-CB 3.31Å; I158-N162 WeakPolarHBondContact O-CB 3.03Å; I158-N162 PolarHBondContact O-ND2 3.26Å; I158-F164 HydrophobicContact CG2-CE2 3.95Å; I158-F164 HydrophobicContact CG2-CZ 3.94Å; I158-L174 HydrophobicContact CB-CD2 4.13Å; I158-L174 HydrophobicContact CD1-CD2 4.33Å; I158-L174 HydrophobicContact CG2-CD1 4.42Å; I158-L174 HydrophobicContact CG2-CD2 3.57Å; I158-F269 HydrophobicContact CB-CE1 4.39Å; I158-F269 HydrophobicContact CG1-CE1 3.73Å; I158-F269 HydrophobicContact CG1-CZ 4.17Å
159A95.8Very high95.5Very high3 Ų320.6 Ų20.63%0.02510%0.104CC..Hα-helixtrans-68.2-26-176.800000114.7A107 A108 E109 Q155 G156 C157 E161 L174A107-A159 HydrophobicContact CB-CB 4.05Å; A107-A159 WeakPolarHBondContact CB-O 3.37Å; A108-A159 PolarHBondContact N-O 3.11Å; E109-A159 HydrophobicContact CB-CB 4.04Å; E109-A159 PolarHBondContact N-O 2.89Å; E109-A159 WeakPolarHBondContact O-CB 3.38Å; Q155-A159 VanDerWaalsContact O-CB 3.27Å; Q155-A159 WeakPolarHBondContact O-CB 3.46Å; Q155-A159 PolarHBondContact O-N 3.24Å; Q155-A159 VanDerWaalsContact O-N 3.09Å; G156-A159 WeakPolarHBondContact O-CB 3.48Å; G156-A159 PolarHBondContact O-N 3.18Å; C157-A159 VanDerWaalsContact C-N 3.3Å; A159-E161 PolarHBondContact O-N 3.05Å; A159-L174 HydrophobicContact CB-CD1 3.88Å
160L92.2Very high95.3Very high15 Ų1520.6 Ų20.68%0.07910%0.104CC..THydrogen-bonded Turntrans-49.8-50.2-172.6-80.8173.7000113.7W105 A107 A108 G156 I158 Q270 R271 Y276W105-L160 HydrophobicContact CZ2-CD2 3.93Å; A107-L160 HydrophobicContact CB-CD2 4.3Å; A108-L160 WeakPolarHBondContact CB-O 3.09Å; A108-L160 PolarHBondContact N-O 2.91Å; G156-L160 WeakPolarHBondContact O-CG 3.39Å; G156-L160 PolarHBondContact O-N 3.28Å; G156-L160 VanDerWaalsContact O-N 3.11Å; I158-L160 VanDerWaalsContact C-N 3.33Å; I158-L160 PolarHBondContact O-N 3.22Å; L160-Q270 HydrophobicContact CD1-CB 4.3Å; L160-R271 HydrophobicContact CD1-CG 4.33Å; L160-Y276 HydrophobicContact CD1-CE1 4.43Å
161E93.1Very high95.1Very high96 Ų9620.3 Ų20.345%0.44910%0.102SC..THydrogen-bonded Turntrans-113.6-8.7-174.7-64.9-71.4162.200112.8A159 R268 Q270A159-E161 PolarHBondContact O-N 3.05Å; E161-R268 HydrophobicContact CB-CB 4.1Å; E161-Q270 HydrophobicContact CG-CB 4.22Å
162N95.1Very high95Very high5 Ų520.4 Ų20.43%0.02710%0.103CC..  trans-113.2107.9-171.6-52.6-67000110.8E109 I158 F164 F262 F267 R268E109-N162 VanDerWaalsContact CB-O 3.27Å; E109-N162 WeakPolarHBondContact CB-O 3.42Å; I158-N162 VanDerWaalsContact O-CB 3.31Å; I158-N162 WeakPolarHBondContact O-CB 3.03Å; I158-N162 PolarHBondContact O-ND2 3.26Å; N162-F164 HydrophobicContact CB-CE2 3.93Å; N162-F164 VanDerWaalsContact O-CD2 3.29Å; N162-F164 WeakPolarHBondContact O-CD2 3.31Å; N162-F164 PolarHBondContact O-N 2.94Å; N162-F262 HydrophobicContact CB-CZ 3.96Å; N162-F267 HydrophobicContact CB-CD1 4.1Å; N162-F267 VanDerWaalsContact OD1-CA 3.23Å; N162-F267 WeakPolarHBondContact OD1-CA 3.38Å; N162-R268 PolarHBondContact ND2-O 2.85Å; N162-R268 PolarHBondContact OD1-N 3.22Å
163S92.5Very high94.9Very high12 Ų1220.5 Ų20.58%0.08410%0.103CC..  trans-93.395.8-176.3-162.10000112.3A108 N165 R166A108-S163 WeakPolarHBondContact O-CB 3.21Å; A108-S163 PolarHBondContact O-OG 3.08Å; S163-N165 VanDerWaalsContact C-N 3.29Å; S163-N165 PolarHBondContact O-N 2.82Å; S163-N165 PolarHBondContact OG-ND2 3.2Å; S163-N165 VanDerWaalsContact OG-ND2 3.12Å; S163-R166 PolarHBondContact O-N 2.93Å; S163-R166 WeakPolarHBondContact OG-CG 3.47Å
164F94Very high94.9Very high0 Ų020.5 Ų20.50%010%0.104CC..SBendtrans-67.2-31.4178.9-68.3-97000112.1E109 I158 N162 R166 V167 G168 L169 L173 L174 W202 F257 F262 F267E109-F164 HydrophobicContact CB-CD2 4.08Å; E109-F164 HydrophobicContact CG-CB 4.13Å; E109-F164 HydrophobicContact CG-CD2 3.97Å; E109-F164 PolarHBondContact OE2-N 2.98Å; I158-F164 HydrophobicContact CG2-CE2 3.95Å; I158-F164 HydrophobicContact CG2-CZ 3.94Å; N162-F164 HydrophobicContact CB-CE2 3.93Å; N162-F164 VanDerWaalsContact O-CD2 3.29Å; N162-F164 WeakPolarHBondContact O-CD2 3.31Å; N162-F164 PolarHBondContact O-N 2.94Å; F164-R166 VanDerWaalsContact C-N 3.3Å; F164-R166 PolarHBondContact O-N 3.09Å; F164-V167 WeakPolarHBondContact O-CG2 3.46Å; F164-V167 PolarHBondContact O-N 3.47Å; F164-G168 PolarHBondContact O-N 3.5Å; F164-L169 CarbonylContact C-O 3.47Å; F164-L169 HydrophobicContact CB-CB 4.1Å; F164-L169 HydrophobicContact CD1-CD1 4.23Å; F164-L169 PolarHBondContact O-N 2.8Å; F164-L173 HydrophobicContact CD1-CD2 3.76Å; F164-L173 HydrophobicContact CE1-CD2 3.69Å; F164-L174 HydrophobicContact CD2-CD1 4.06Å; F164-L174 HydrophobicContact CD2-CG 4.41Å; F164-L174 HydrophobicContact CE1-CD2 4.25Å; F164-L174 HydrophobicContact CE2-CD1 3.85Å; F164-L174 HydrophobicContact CE2-CD2 3.77Å; F164-L174 HydrophobicContact CE2-CG 4.11Å; F164-L174 HydrophobicContact CZ-CD2 3.62Å; F164-L174 HydrophobicContact CZ-CG 4.35Å; F164-W202 HydrophobicContact CE1-CZ3 4.38Å; F164-F257 HydrophobicContact CD1-CZ 4.16Å; F164-F257 HydrophobicContact CE1-CE1 4.08Å; F164-F257 AromaticContact CE1-CZ 3.73Å; F164-F257 HydrophobicContact CE1-CZ 3.73Å; F164-F262 HydrophobicContact CD1-CD2 4.47Å; F164-F262 HydrophobicContact CD1-CE2 4.05Å; F164-F262 HydrophobicContact CE1-CD2 4.48Å; F164-F262 HydrophobicContact CE1-CE2 4.15Å; F164-F262 HydrophobicContact CG-CE2 4.26Å; F164-F262 HydrophobicContact CZ-CE2 4.42Å; F164-F267 HydrophobicContact CE1-CE1 4.03Å; F164-F267 AromaticContact CE1-CZ 3.9Å; F164-F267 HydrophobicContact CE1-CZ 3.9Å; F164-F267 AromaticContact CZ-CE1 3.7Å; F164-F267 HydrophobicContact CZ-CE1 3.7Å; F164-F267 AromaticContact CZ-CZ 3.67Å; F164-F267 HydrophobicContact CZ-CZ 3.67Å
165N90.2Very high94.8Very high19 Ų1920.5 Ų20.510%0.10210%0.104CC..G310 helixtrans-64-33.4176.671.573.4000113E109 S163 V167 G168 L169 R330E109-N165 WeakPolarHBondContact OE2-CB 3.48Å; E109-N165 PolarHBondContact OE2-N 2.67Å; E109-N165 PolarHBondContact OE2-ND2 3.08Å; S163-N165 VanDerWaalsContact C-N 3.29Å; S163-N165 PolarHBondContact O-N 2.82Å; S163-N165 PolarHBondContact OG-ND2 3.2Å; S163-N165 VanDerWaalsContact OG-ND2 3.12Å; N165-V167 PolarHBondContact O-N 3.3Å; N165-G168 PolarHBondContact O-N 2.9Å; N165-L169 PolarHBondContact N-O 3.24Å; N165-R330 PolarHBondContact OD1-NH1 3.17Å
166R90.1Very high94.8Very high181 Ų18121.1 Ų21.168%0.68311%0.106SC*.G310 helixtrans-67.5-16.5178.3-74.3-176.3179.1177.1-0.8113.4S163 F164S163-R166 PolarHBondContact O-N 2.93Å; S163-R166 WeakPolarHBondContact OG-CG 3.47Å; F164-R166 VanDerWaalsContact C-N 3.3Å; F164-R166 PolarHBondContact O-N 3.09Å
167V93.2Very high94.9Very high39 Ų3921.1 Ų21.124%0.23611%0.106CC..G310 helixtrans-10911.5174-60.90000112.5F164 N165 L169 S261 F262 K263F164-V167 WeakPolarHBondContact O-CG2 3.46Å; F164-V167 PolarHBondContact O-N 3.47Å; N165-V167 PolarHBondContact O-N 3.3Å; V167-L169 HydrophobicContact CG2-CB 4.39Å; V167-L169 HydrophobicContact CG2-CD1 3.95Å; V167-L169 HydrophobicContact CG2-CG 4Å; V167-S261 WeakPolarHBondContact CG2-O 3.43Å; V167-F262 HydrophobicContact CG1-CD2 4.42Å; V167-F262 HydrophobicContact CG2-CD2 3.7Å; V167-F262 HydrophobicContact CG2-CE2 3.89Å; V167-K263 HydrophobicContact CG1-CD 3.99Å; V167-K263 HydrophobicContact CG1-CG 4.03Å
168G93Very high95Very high34 Ų3421 Ų2135%0.35111%0.106SC..THydrogen-bonded Turntrans81.49.7174.900000115F164 N165 R209F164-G168 PolarHBondContact O-N 3.5Å; N165-G168 PolarHBondContact O-N 2.9Å; G168-R209 PolarHBondContact O-N 2.82Å
169L95.1Very high95Very high11 Ų1121 Ų216%0.05811%0.105CC..BIsolated β-bridgetrans-95.9147.5-179.6-60.3178.9000111.9F164 N165 V167 L173 Q206 F257F164-L169 CarbonylContact C-O 3.47Å; F164-L169 HydrophobicContact CB-CB 4.1Å; F164-L169 HydrophobicContact CD1-CD1 4.23Å; F164-L169 PolarHBondContact O-N 2.8Å; N165-L169 PolarHBondContact N-O 3.24Å; V167-L169 HydrophobicContact CG2-CB 4.39Å; V167-L169 HydrophobicContact CG2-CD1 3.95Å; V167-L169 HydrophobicContact CG2-CG 4Å; L169-L173 HydrophobicContact CD1-CD2 4.41Å; L169-Q206 HydrophobicContact CD2-CB 3.88Å; L169-F257 HydrophobicContact CD1-CE2 4.13Å; L169-F257 HydrophobicContact CD1-CZ 3.69Å
170D94.9Very high95.2Very high0 Ų020.9 Ų20.90%010%0.104CC..  trans-87143175.7-158.371.9000111.9V172 L173 S207 R209 Y211 R212D170-V172 HydrophobicContact CB-CG2 4.07Å; D170-V172 PolarHBondContact O-N 3.1Å; D170-V172 VanDerWaalsContact O-N 3.1Å; D170-V172 VanDerWaalsContact OD2-CG1 3.3Å; D170-V172 WeakPolarHBondContact OD2-CG1 3.2Å; D170-V172 WeakPolarHBondContact OD2-CG2 3.33Å; D170-V172 PolarHBondContact OD2-N 2.88Å; D170-L173 PolarHBondContact O-N 3.3Å; D170-S207 WeakPolarHBondContact CB-O 3.28Å; D170-S207 PolarHBondContact N-O 2.95Å; D170-R209 HydrophobicContact CB-CB 4.46Å; D170-R209 IonicContact OD1-NH1 2.63Å; D170-Y211 WeakPolarHBondContact CB-OH 3.5Å; D170-Y211 PolarHBondContact OD2-OH 3.26Å; D170-R212 WeakPolarHBondContact OD1-CD 3.19Å; D170-R212 IonicContact OD1-CZ 3.24Å; D170-R212 IonicContact OD1-NE 2.89Å; D170-R212 PolarHBondContact OD1-NE 3.06Å; D170-R212 IonicContact OD1-NH2 2.73Å; D170-R212 IonicContact OD2-CZ 2.81Å; D170-R212 IonicContact OD2-NE 3.39Å; D170-R212 PolarHBondContact OD2-NE 3.44Å; D170-R212 IonicContact OD2-NH2 2.8Å; D170-R212 PolarHBondContact OD2-NH2 2.7Å; D170-R212 VanDerWaalsContact OD2-NH2 3.13Å
171H94.3Very high95.5Very high4 Ų420.1 Ų20.12%0.01910%0.1CC..THydrogen-bonded Turntrans-64.9-15-178.166.7-91.5000113.6E109 H112 L173 L174 R212E109-H171 HydrophobicContact CG-CB 3.83Å; H112-H171 AromaticContact CD2-CE1 3.96Å; H112-H171 AromaticContact CD2-NE2 3.58Å; H171-L173 PolarHBondContact O-N 2.94Å; H171-L174 WeakPolarHBondContact O-CB 3.37Å; H171-L174 PolarHBondContact O-N 2.87Å; H171-R212 PolarHBondContact CE1-NH2 2.74Å
172V96.6Very high95.7Very high2 Ų215.6 Ų15.61%0.0128%0.079CC..Hα-helixtrans-60.8-15.8174.9-62.50000113.1D170 L174 V175 K176 A224 A225 A228D170-V172 HydrophobicContact CB-CG2 4.07Å; D170-V172 PolarHBondContact O-N 3.1Å; D170-V172 VanDerWaalsContact O-N 3.1Å; D170-V172 VanDerWaalsContact OD2-CG1 3.3Å; D170-V172 WeakPolarHBondContact OD2-CG1 3.2Å; D170-V172 WeakPolarHBondContact OD2-CG2 3.33Å; D170-V172 PolarHBondContact OD2-N 2.88Å; V172-L174 VanDerWaalsContact C-N 3.27Å; V172-L174 PolarHBondContact O-N 2.87Å; V172-V175 WeakPolarHBondContact O-CB 3.45Å; V172-V175 PolarHBondContact O-N 2.94Å; V172-K176 PolarHBondContact O-N 2.75Å; V172-A224 HydrophobicContact CG1-CB 4.09Å; V172-A224 HydrophobicContact CG2-CB 4.37Å; V172-A225 HydrophobicContact CG1-CB 4.4Å; V172-A228 HydrophobicContact CB-CB 3.97Å; V172-A228 WeakPolarHBondContact O-CB 3.34Å
173L96.6Very high95.9Very high2 Ų215.3 Ų15.31%0.018%0.078CC..Hα-helixtrans-55.2-43.7164.8162.455.5000111.8F164 L169 D170 H171 V175 K176 V177 W202 Q206 F257F164-L173 HydrophobicContact CD1-CD2 3.76Å; F164-L173 HydrophobicContact CE1-CD2 3.69Å; L169-L173 HydrophobicContact CD1-CD2 4.41Å; D170-L173 PolarHBondContact O-N 3.3Å; H171-L173 PolarHBondContact O-N 2.94Å; L173-V175 VanDerWaalsContact C-N 3.33Å; L173-K176 WeakPolarHBondContact O-CB 3.33Å; L173-K176 PolarHBondContact O-N 3.07Å; L173-V177 HydrophobicContact CD1-CG2 3.96Å; L173-V177 WeakPolarHBondContact O-CG2 3.43Å; L173-V177 PolarHBondContact O-N 3.35Å; L173-W202 HydrophobicContact CD1-CE3 3.99Å; L173-W202 HydrophobicContact CD1-CZ3 3.92Å; L173-W202 HydrophobicContact CD2-CZ3 3.91Å; L173-W202 HydrophobicContact CG-CZ3 4.08Å; L173-Q206 VanDerWaalsContact CD1-CD 3.43Å; L173-Q206 HydrophobicContact CD1-CG 4.42Å; L173-Q206 HydrophobicContact CD2-CB 4.38Å; L173-Q206 HydrophobicContact CD2-CG 4.15Å; L173-F257 HydrophobicContact CD2-CE2 3.5Å; L173-F257 HydrophobicContact CD2-CZ 3.61Å
174L97.6Very high96.2Very high3 Ų314.8 Ų14.82%0.0167%0.074CC..Hα-helixtrans-69.1-34.6178.5-58.9-178.4000111.6Q155 I158 A159 F164 H171 V172 V177 A178 W202Q155-L174 HydrophobicContact CB-CB 4.35Å; Q155-L174 HydrophobicContact CG-CB 3.84Å; I158-L174 HydrophobicContact CB-CD2 4.13Å; I158-L174 HydrophobicContact CD1-CD2 4.33Å; I158-L174 HydrophobicContact CG2-CD1 4.42Å; I158-L174 HydrophobicContact CG2-CD2 3.57Å; A159-L174 HydrophobicContact CB-CD1 3.88Å; F164-L174 HydrophobicContact CD2-CD1 4.06Å; F164-L174 HydrophobicContact CD2-CG 4.41Å; F164-L174 HydrophobicContact CE1-CD2 4.25Å; F164-L174 HydrophobicContact CE2-CD1 3.85Å; F164-L174 HydrophobicContact CE2-CD2 3.77Å; F164-L174 HydrophobicContact CE2-CG 4.11Å; F164-L174 HydrophobicContact CZ-CD2 3.62Å; F164-L174 HydrophobicContact CZ-CG 4.35Å; H171-L174 WeakPolarHBondContact O-CB 3.37Å; H171-L174 PolarHBondContact O-N 2.87Å; V172-L174 VanDerWaalsContact C-N 3.27Å; V172-L174 PolarHBondContact O-N 2.87Å; L174-V177 PolarHBondContact O-N 3.47Å; L174-A178 VanDerWaalsContact O-CB 3.26Å; L174-A178 WeakPolarHBondContact O-CB 3.41Å; L174-A178 PolarHBondContact O-N 2.92Å; L174-W202 HydrophobicContact CD2-CH2 4.27Å
175V98Very high96.4Very high0 Ų017.7 Ų17.70%09%0.088CC..Hα-helixtrans-60-48.6170.9-1800000109.9D115 N116 V172 L173 V177 S179 A228 T229D115-V175 HydrophobicContact CB-CB 4.45Å; D115-V175 HydrophobicContact CB-CG1 3.78Å; D115-V175 HydrophobicContact CB-CG2 3.76Å; N116-V175 PolarHBondContact OD1-O 2.69Å; V172-V175 WeakPolarHBondContact O-CB 3.45Å; V172-V175 PolarHBondContact O-N 2.94Å; L173-V175 VanDerWaalsContact C-N 3.33Å; V175-V177 VanDerWaalsContact C-N 3.35Å; V175-V177 PolarHBondContact O-N 2.65Å; V175-S179 WeakPolarHBondContact O-CB 3.43Å; V175-S179 PolarHBondContact O-N 3.39Å; V175-S179 PolarHBondContact O-OG 2.93Å; V175-A228 HydrophobicContact CB-CB 4.27Å; V175-A228 HydrophobicContact CG1-CB 4.25Å; V175-T229 HydrophobicContact CG1-CG2 3.75Å
176K98.1Very high96.8Very high15 Ų1518.1 Ų18.17%0.0659%0.089CC..Hα-helixtrans-57.3-47177.4-178.9178.853.8168.50111.2V172 L173 T180 A201 A228 R231 A232V172-K176 PolarHBondContact O-N 2.75Å; L173-K176 WeakPolarHBondContact O-CB 3.33Å; L173-K176 PolarHBondContact O-N 3.07Å; K176-T180 VanDerWaalsContact O-CB 3.3Å; K176-T180 WeakPolarHBondContact O-CB 3.49Å; K176-T180 PolarHBondContact O-N 2.91Å; K176-T180 PolarHBondContact O-OG1 3.35Å; K176-A201 WeakPolarHBondContact CE-O 3.1Å; K176-A201 HydrophobicContact CG-CB 4.28Å; K176-A201 PolarHBondContact NZ-O 2.79Å; K176-A228 HydrophobicContact CB-CB 4.07Å; K176-R231 HydrophobicContact CD-CB 4.25Å; K176-R231 HydrophobicContact CD-CG 3.77Å; K176-R231 HydrophobicContact CG-CG 4.43Å; K176-A232 WeakPolarHBondContact O-CB 3.39Å
177V98.2Very high97.2Very high0 Ų010 Ų100%06%0.059CC..Hα-helixtrans-66.5-52.2-178.3170.40000111.7I19 L173 L174 V175 T180 A181 V198 A201 W202I19-V177 HydrophobicContact CD1-CG1 4.02Å; L173-V177 HydrophobicContact CD1-CG2 3.96Å; L173-V177 WeakPolarHBondContact O-CG2 3.43Å; L173-V177 PolarHBondContact O-N 3.35Å; L174-V177 PolarHBondContact O-N 3.47Å; V175-V177 VanDerWaalsContact C-N 3.35Å; V175-V177 PolarHBondContact O-N 2.65Å; V177-T180 PolarHBondContact O-N 2.89Å; V177-A181 PolarHBondContact O-N 2.92Å; V177-A181 VanDerWaalsContact O-N 3.14Å; V177-V198 HydrophobicContact CG1-CG1 4.41Å; V177-A201 HydrophobicContact CG2-CB 3.94Å; V177-W202 HydrophobicContact CB-CZ2 4.2Å; V177-W202 HydrophobicContact CG1-CZ2 3.78Å; V177-W202 HydrophobicContact CG2-CD2 3.88Å; V177-W202 VanDerWaalsContact CG2-CE2 3.49Å; V177-W202 HydrophobicContact CG2-CE3 4.32Å; V177-W202 HydrophobicContact CG2-CG 4.45Å; V177-W202 HydrophobicContact CG2-CH2 4.09Å; V177-W202 HydrophobicContact CG2-CZ2 3.62Å; V177-W202 HydrophobicContact CG2-CZ3 4.43Å
178A98.5Very high97.3Very high0 Ų011 Ų110%08%0.078CC..Hα-helixtrans-62.1-46.2-179.100000111.3A151 I154 Q155 L174 T180 A181 V182A151-A178 HydrophobicContact CB-CB 4.33Å; A151-A178 WeakPolarHBondContact O-CB 3.2Å; I154-A178 HydrophobicContact CB-CB 4Å; I154-A178 HydrophobicContact CG2-CB 3.93Å; Q155-A178 HydrophobicContact CB-CB 4.09Å; L174-A178 VanDerWaalsContact O-CB 3.26Å; L174-A178 WeakPolarHBondContact O-CB 3.41Å; L174-A178 PolarHBondContact O-N 2.92Å; A178-T180 VanDerWaalsContact C-N 3.33Å; A178-T180 PolarHBondContact O-N 3.43Å; A178-A181 PolarHBondContact O-N 3.47Å; A178-V182 PolarHBondContact O-N 3.42Å
179S98.6Very high97.6Very high0 Ų09.9 Ų9.90%06%0.064CC..Hα-helixtrans-59.8-40.7174.7-69.10000112.1N116 V175 A181 V182 V183 A232N116-S179 WeakPolarHBondContact CA-OG 3.34Å; N116-S179 PolarHBondContact OD1-N 3.15Å; N116-S179 PolarHBondContact OD1-OG 2.93Å; V175-S179 WeakPolarHBondContact O-CB 3.43Å; V175-S179 PolarHBondContact O-N 3.39Å; V175-S179 PolarHBondContact O-OG 2.93Å; S179-A181 VanDerWaalsContact C-N 3.33Å; S179-A181 PolarHBondContact O-N 3.49Å; S179-V182 WeakPolarHBondContact O-CG2 3.33Å; S179-V183 WeakPolarHBondContact O-CB 3.15Å; S179-V183 WeakPolarHBondContact O-CG2 3.47Å; S179-V183 PolarHBondContact O-N 2.73Å; S179-A232 VanDerWaalsContact CB-CB 3.47Å
180T98.7Very high97.8Very high0 Ų013 Ų130%08%0.083CC..Hα-helixtrans-62.5-43.1-179.7-60.40000110.9K176 V177 A178 A184 A197 A232 L235K176-T180 VanDerWaalsContact O-CB 3.3Å; K176-T180 WeakPolarHBondContact O-CB 3.49Å; K176-T180 PolarHBondContact O-N 2.91Å; K176-T180 PolarHBondContact O-OG1 3.35Å; V177-T180 PolarHBondContact O-N 2.89Å; A178-T180 VanDerWaalsContact C-N 3.33Å; A178-T180 PolarHBondContact O-N 3.43Å; T180-A184 VanDerWaalsContact O-CB 3.24Å; T180-A184 WeakPolarHBondContact O-CB 3.41Å; T180-A184 PolarHBondContact O-N 3.29Å; T180-A197 HydrophobicContact CG2-CB 3.72Å; T180-A197 WeakPolarHBondContact CG2-O 3.43Å; T180-A232 VanDerWaalsContact OG1-CA 3.28Å; T180-A232 WeakPolarHBondContact OG1-CA 3.37Å; T180-A232 VanDerWaalsContact OG1-CB 3.3Å; T180-A232 WeakPolarHBondContact OG1-CB 3.28Å; T180-L235 HydrophobicContact CG2-CB 4.32Å
181A98.7Very high97.9Very high0 Ų018 Ų180%010%0.103CC..Hα-helixtrans-63.4-50.3-179.700000112.2I19 V23 I154 V177 A178 S179 A184 E185 V198I19-A181 HydrophobicContact CG2-CB 3.63Å; V23-A181 HydrophobicContact CG1-CB 3.9Å; V23-A181 HydrophobicContact CG2-CB 4.31Å; I154-A181 HydrophobicContact CD1-CB 4.15Å; V177-A181 PolarHBondContact O-N 2.92Å; V177-A181 VanDerWaalsContact O-N 3.14Å; A178-A181 PolarHBondContact O-N 3.47Å; S179-A181 VanDerWaalsContact C-N 3.33Å; S179-A181 PolarHBondContact O-N 3.49Å; A181-A184 PolarHBondContact O-N 3.22Å; A181-E185 PolarHBondContact O-N 3.23Å; A181-V198 HydrophobicContact CB-CG2 3.79Å
182V98.7Very high98.1Very high0 Ų023.9 Ų23.90%013%0.13CC..Hα-helixtrans-72.1-33.9-179.1-59.30000112.4V23 I120 A147 K150 A151 A178 S179 E185 M186V23-V182 HydrophobicContact CG1-CG1 4.06Å; I120-V182 HydrophobicContact CD1-CG2 4.09Å; I120-V182 HydrophobicContact CG1-CG2 3.73Å; A147-V182 HydrophobicContact CB-CB 4.39Å; K150-V182 HydrophobicContact CB-CG1 3.91Å; A151-V182 HydrophobicContact CB-CG1 4.04Å; A151-V182 HydrophobicContact CB-CG2 4.14Å; A178-V182 PolarHBondContact O-N 3.42Å; S179-V182 WeakPolarHBondContact O-CG2 3.33Å; V182-E185 PolarHBondContact O-N 3.05Å; V182-M186 HydrophobicContact CG2-CE 4.46Å; V182-M186 WeakPolarHBondContact O-CG 3.33Å; V182-M186 PolarHBondContact O-N 2.95Å
183V98.7Very high98.2Very high0 Ų026.1 Ų26.10%014%0.14CC..Hα-helixtrans-67.2-40175.1170.30000110.8T123 S179 M186 L187 V233 A236T123-V183 HydrophobicContact CG2-CG1 4.04Å; S179-V183 WeakPolarHBondContact O-CB 3.15Å; S179-V183 WeakPolarHBondContact O-CG2 3.47Å; S179-V183 PolarHBondContact O-N 2.73Å; V183-M186 HydrophobicContact CB-CE 4.42Å; V183-M186 HydrophobicContact CG2-CE 3.92Å; V183-M186 PolarHBondContact O-N 3.22Å; V183-L187 HydrophobicContact CG1-CD1 3.79Å; V183-L187 HydrophobicContact CG1-CG 4.12Å; V183-L187 VanDerWaalsContact O-CB 3.31Å; V183-L187 WeakPolarHBondContact O-CB 3.21Å; V183-L187 VanDerWaalsContact O-CG 3.22Å; V183-L187 WeakPolarHBondContact O-CG 3.4Å; V183-L187 PolarHBondContact O-N 2.74Å; V183-V233 HydrophobicContact CG1-CG2 4.25Å; V183-V233 HydrophobicContact CG2-CG2 4.17Å; V183-A236 HydrophobicContact CB-CB 4.39Å; V183-A236 HydrophobicContact CG1-CB 3.8Å
184A98.7Very high98.3Very high0 Ų026 Ų260%014%0.14CC..Hα-helixtrans-59.3-45.4173.900000111.8T180 A181 L187 G188 L189 T194 A197 A236T180-A184 VanDerWaalsContact O-CB 3.24Å; T180-A184 WeakPolarHBondContact O-CB 3.41Å; T180-A184 PolarHBondContact O-N 3.29Å; A181-A184 PolarHBondContact O-N 3.22Å; A184-L187 PolarHBondContact O-N 3.39Å; A184-G188 PolarHBondContact O-N 2.84Å; A184-L189 HydrophobicContact CB-CB 4.35Å; A184-L189 HydrophobicContact CB-CD2 3.79Å; A184-L189 WeakPolarHBondContact O-CB 3.33Å; A184-L189 PolarHBondContact O-N 3.45Å; A184-L189 VanDerWaalsContact O-N 3.08Å; A184-T194 HydrophobicContact CB-CG2 3.72Å; A184-A197 HydrophobicContact CB-CB 4.33Å; A184-A236 HydrophobicContact CB-CB 4.27Å
185E98.4Very high98.3Very high62 Ų6226.3 Ų26.329%0.2914%0.141SC..Hα-helixtrans-58.6-50.9173.9-174.7-145-157.600111.2K150 A181 V182 L187 G188K150-E185 IonicContact NZ-OE1 3.38Å; K150-E185 PolarHBondContact NZ-OE1 3.26Å; K150-E185 IonicContact NZ-OE2 3.43Å; A181-E185 PolarHBondContact O-N 3.23Å; V182-E185 PolarHBondContact O-N 3.05Å; E185-L187 VanDerWaalsContact C-N 3.28Å; E185-L187 PolarHBondContact O-N 3.24Å; E185-G188 WeakPolarHBondContact O-CA 3.34Å; E185-G188 PolarHBondContact O-N 3.47Å
186M97.9Very high98.3Very high27 Ų2726.9 Ų26.913%0.13314%0.144CC..Hα-helixtrans-61-35.1179.2-76.3-174.3-67.700113.3I120 T123 A124 L127 A147 V182 V183 G188I120-M186 HydrophobicContact CB-CE 4.11Å; I120-M186 HydrophobicContact CG1-CE 4.1Å; I120-M186 HydrophobicContact CG2-CE 4Å; I120-M186 HydrophobicContact CG2-SD 4.08Å; T123-M186 HydrophobicContact CG2-CB 4.31Å; A124-M186 HydrophobicContact CB-SD 4.37Å; L127-M186 HydrophobicContact CD1-CB 4.44Å; L127-M186 WeakPolarHBondContact CD1-O 3.31Å; A147-M186 HydrophobicContact CB-CE 4.42Å; A147-M186 HydrophobicContact CB-SD 4.12Å; V182-M186 HydrophobicContact CG2-CE 4.46Å; V182-M186 WeakPolarHBondContact O-CG 3.33Å; V182-M186 PolarHBondContact O-N 2.95Å; V183-M186 HydrophobicContact CB-CE 4.42Å; V183-M186 HydrophobicContact CG2-CE 3.92Å; V183-M186 PolarHBondContact O-N 3.22Å; M186-G188 PolarHBondContact O-N 3.07Å
187L98Very high98.3Very high10 Ų1026.2 Ų26.25%0.05214%0.141CC..THydrogen-bonded Turntrans-72.1-7.1176-75176.3000113.4T123 W126 L127 V183 A184 E185 L189 A236 L237 K240T123-L187 HydrophobicContact CG2-CD2 3.89Å; T123-L187 HydrophobicContact CG2-CG 4.03Å; W126-L187 HydrophobicContact CE3-CD2 4.36Å; W126-L187 HydrophobicContact CZ3-CD2 3.66Å; L127-L187 HydrophobicContact CD1-CD2 4.34Å; L127-L187 HydrophobicContact CD2-CD2 4.16Å; V183-L187 HydrophobicContact CG1-CD1 3.79Å; V183-L187 HydrophobicContact CG1-CG 4.12Å; V183-L187 VanDerWaalsContact O-CB 3.31Å; V183-L187 WeakPolarHBondContact O-CB 3.21Å; V183-L187 VanDerWaalsContact O-CG 3.22Å; V183-L187 WeakPolarHBondContact O-CG 3.4Å; V183-L187 PolarHBondContact O-N 2.74Å; A184-L187 PolarHBondContact O-N 3.39Å; E185-L187 VanDerWaalsContact C-N 3.28Å; E185-L187 PolarHBondContact O-N 3.24Å; L187-L189 HydrophobicContact CB-CD1 3.47Å; L187-L189 VanDerWaalsContact CB-CD1 3.47Å; L187-L189 HydrophobicContact CD1-CD1 4.37Å; L187-A236 HydrophobicContact CD1-CB 3.73Å; L187-L237 HydrophobicContact CD1-CD2 4.01Å; L187-L237 HydrophobicContact CD1-CG 4.25Å; L187-L237 HydrophobicContact CD2-CD2 4.23Å; L187-K240 PolarHBondContact O-NZ 3.06Å
188G97.1Very high98.4Very high62 Ų6226.2 Ų26.264%0.63914%0.141SC*.THydrogen-bonded Turntrans74.631.118000000113.6A184 E185 M186A184-G188 PolarHBondContact O-N 2.84Å; E185-G188 WeakPolarHBondContact O-CA 3.34Å; E185-G188 PolarHBondContact O-N 3.47Å; M186-G188 PolarHBondContact O-N 3.07Å
189L98.5Very high98.3Very high9 Ų926.2 Ų26.25%0.04714%0.141CC..  trans-67.1148.3175.9-87.159.9000110.6A184 L187 E193 T194 A197 A239 K240A184-L189 HydrophobicContact CB-CB 4.35Å; A184-L189 HydrophobicContact CB-CD2 3.79Å; A184-L189 WeakPolarHBondContact O-CB 3.33Å; A184-L189 PolarHBondContact O-N 3.45Å; A184-L189 VanDerWaalsContact O-N 3.08Å; L187-L189 HydrophobicContact CB-CD1 3.47Å; L187-L189 VanDerWaalsContact CB-CD1 3.47Å; L187-L189 HydrophobicContact CD1-CD1 4.37Å; L189-E193 HydrophobicContact CB-CB 3.84Å; L189-E193 HydrophobicContact CD2-CB 3.86Å; L189-E193 HydrophobicContact CG-CB 3.77Å; L189-T194 WeakPolarHBondContact CB-OG1 3.35Å; L189-A197 HydrophobicContact CD2-CB 4.5Å; L189-A239 HydrophobicContact CD2-CB 3.97Å; L189-K240 HydrophobicContact CD1-CB 3.84Å; L189-K240 HydrophobicContact CD1-CD 3.9Å; L189-K240 HydrophobicContact CD1-CG 3.91Å; L189-K240 HydrophobicContact CG-CB 4.3Å
190T98.3Very high98.3Very high76 Ų7627.1 Ų27.147%0.46615%0.146SC..  trans-65.8167.1168.362.70000111E192 E193 T194T190-E192 VanDerWaalsContact C-N 3.28Å; T190-E192 PolarHBondContact O-N 3.44Å; T190-E193 WeakPolarHBondContact CB-OE2 2.98Å; T190-E193 WeakPolarHBondContact CG2-OE2 3.24Å; T190-E193 PolarHBondContact N-OE2 2.87Å; T190-E193 PolarHBondContact O-N 2.89Å; T190-E193 VanDerWaalsContact OG1-CD 3.3Å; T190-E193 VanDerWaalsContact OG1-CG 3.28Å; T190-E193 WeakPolarHBondContact OG1-CG 3.28Å; T190-E193 PolarHBondContact OG1-N 3.43Å; T190-E193 PolarHBondContact OG1-OE2 3.2Å; T190-T194 WeakPolarHBondContact O-CB 3.5Å; T190-T194 PolarHBondContact O-N 3.43Å; T190-T194 PolarHBondContact O-OG1 3.43Å
191R98.1Very high98.2Very high107 Ų10727.1 Ų27.140%0.40415%0.146SC..Hα-helixtrans-57.6-42175.6-172.8177.4-179.1-89.12.2112.3V20 D21 M24 T194 L195V20-R191 HydrophobicContact CG1-CG 3.96Å; D21-R191 IonicContact OD1-CZ 3.25Å; D21-R191 VanDerWaalsContact OD1-CZ 3.25Å; D21-R191 IonicContact OD1-NE 2.74Å; D21-R191 PolarHBondContact OD1-NE 3.26Å; D21-R191 IonicContact OD1-NH2 2.9Å; D21-R191 PolarHBondContact OD1-NH2 3.38Å; D21-R191 IonicContact OD2-NH2 3.02Å; D21-R191 PolarHBondContact OD2-NH2 3.41Å; M24-R191 HydrophobicContact CE-CB 4.12Å; M24-R191 WeakPolarHBondContact SD-CA 3.38Å; M24-R191 HydrophobicContact SD-CB 3.65Å; M24-R191 HydrophobicContact SD-CG 3.88Å; R191-T194 PolarHBondContact O-N 2.82Å; R191-L195 HydrophobicContact CG-CD1 4.44Å; R191-L195 VanDerWaalsContact O-CG 3.31Å; R191-L195 WeakPolarHBondContact O-CG 3.47Å; R191-L195 PolarHBondContact O-N 2.92Å
192E97.9Very high98.1Very high126 Ų12627.3 Ų27.359%0.58915%0.147SC*.Hα-helixtrans-66.1-46.2178.6-173.4176.917600111.8T190 T194 L195 N196T190-E192 VanDerWaalsContact C-N 3.28Å; T190-E192 PolarHBondContact O-N 3.44Å; E192-T194 VanDerWaalsContact C-N 3.26Å; E192-T194 PolarHBondContact O-N 3.3Å; E192-L195 WeakPolarHBondContact O-CB 3.36Å; E192-L195 PolarHBondContact O-N 3.46Å; E192-N196 PolarHBondContact O-N 3.18Å; E192-N196 PolarHBondContact O-OD1 3.24Å
193E98.5Very high97.9Very high49 Ų4930.7 Ų30.723%0.22917%0.167CC..Hα-helixtrans-63.3-34.2175.9-68.3163.9142.700111.7L189 T190 N196 A197 A239L189-E193 HydrophobicContact CB-CB 3.84Å; L189-E193 HydrophobicContact CD2-CB 3.86Å; L189-E193 HydrophobicContact CG-CB 3.77Å; T190-E193 WeakPolarHBondContact CB-OE2 2.98Å; T190-E193 WeakPolarHBondContact CG2-OE2 3.24Å; T190-E193 PolarHBondContact N-OE2 2.87Å; T190-E193 PolarHBondContact O-N 2.89Å; T190-E193 VanDerWaalsContact OG1-CD 3.3Å; T190-E193 VanDerWaalsContact OG1-CG 3.28Å; T190-E193 WeakPolarHBondContact OG1-CG 3.28Å; T190-E193 PolarHBondContact OG1-N 3.43Å; T190-E193 PolarHBondContact OG1-OE2 3.2Å; E193-N196 WeakPolarHBondContact O-CB 3.23Å; E193-N196 PolarHBondContact O-N 3.43Å; E193-A197 WeakPolarHBondContact O-CB 3.48Å; E193-A197 PolarHBondContact O-N 2.86Å; E193-A239 WeakPolarHBondContact O-CB 3.34Å
194T98.5Very high96.9Very high0 Ų033.2 Ų33.20%018%0.181CC..Hα-helixtrans-71.3-39.5177.2-52.80000111.5V20 V23 A184 L189 T190 R191 E192 N196 A197 V198V20-T194 HydrophobicContact CB-CG2 4.44Å; V20-T194 HydrophobicContact CG1-CG2 3.91Å; V20-T194 HydrophobicContact CG2-CG2 3.93Å; V23-T194 HydrophobicContact CG2-CG2 4.42Å; A184-T194 HydrophobicContact CB-CG2 3.72Å; L189-T194 WeakPolarHBondContact CB-OG1 3.35Å; T190-T194 WeakPolarHBondContact O-CB 3.5Å; T190-T194 PolarHBondContact O-N 3.43Å; T190-T194 PolarHBondContact O-OG1 3.43Å; R191-T194 PolarHBondContact O-N 2.82Å; E192-T194 VanDerWaalsContact C-N 3.26Å; E192-T194 PolarHBondContact O-N 3.3Å; T194-N196 VanDerWaalsContact C-N 3.3Å; T194-N196 PolarHBondContact O-N 2.91Å; T194-A197 PolarHBondContact O-N 3.02Å; T194-V198 WeakPolarHBondContact O-CG2 3.18Å; T194-V198 PolarHBondContact O-N 3.02Å
195L98.6Very high95.9Very high10 Ų1036.9 Ų36.95%0.05222%0.219CC..Hα-helixtrans-58.5-43.2168.6-72.9166.7000111F12 I16 V17 V20 R191 E192 S199F12-L195 HydrophobicContact CB-CD2 4.2Å; F12-L195 HydrophobicContact CD1-CB 4.04Å; F12-L195 HydrophobicContact CD1-CD2 4.28Å; F12-L195 HydrophobicContact CD2-CB 4.3Å; F12-L195 HydrophobicContact CD2-CD1 3.98Å; F12-L195 HydrophobicContact CE1-CB 3.83Å; F12-L195 HydrophobicContact CE2-CB 4.07Å; F12-L195 HydrophobicContact CE2-CD1 4.2Å; F12-L195 HydrophobicContact CG-CB 4.29Å; F12-L195 HydrophobicContact CG-CD1 4.37Å; F12-L195 HydrophobicContact CG-CD2 4.1Å; F12-L195 HydrophobicContact CG-CG 4.49Å; F12-L195 HydrophobicContact CZ-CB 3.83Å; I16-L195 HydrophobicContact CG2-CD2 3.9Å; V17-L195 HydrophobicContact CG2-CD2 4.15Å; V20-L195 HydrophobicContact CB-CD2 3.98Å; V20-L195 HydrophobicContact CB-CG 4.37Å; V20-L195 HydrophobicContact CG1-CD2 4.33Å; V20-L195 HydrophobicContact CG1-CG 4.21Å; V20-L195 HydrophobicContact CG2-CD2 3.75Å; V20-L195 HydrophobicContact CG2-CG 4.14Å; R191-L195 HydrophobicContact CG-CD1 4.44Å; R191-L195 VanDerWaalsContact O-CG 3.31Å; R191-L195 WeakPolarHBondContact O-CG 3.47Å; R191-L195 PolarHBondContact O-N 2.92Å; E192-L195 WeakPolarHBondContact O-CB 3.36Å; E192-L195 PolarHBondContact O-N 3.46Å; L195-S199 WeakPolarHBondContact O-CB 3.1Å; L195-S199 PolarHBondContact O-N 2.9Å; L195-S199 PolarHBondContact O-OG 3.09Å
196N98.3Very high95.4Very high12 Ų1235 Ų356%0.06421%0.21CC..Hα-helixtrans-60.7-51.9176.6-64.7-14000111.2E192 E193 T194 V198 S199 L200 A239 E243 G245E192-N196 PolarHBondContact O-N 3.18Å; E192-N196 PolarHBondContact O-OD1 3.24Å; E193-N196 WeakPolarHBondContact O-CB 3.23Å; E193-N196 PolarHBondContact O-N 3.43Å; T194-N196 VanDerWaalsContact C-N 3.3Å; T194-N196 PolarHBondContact O-N 2.91Å; N196-V198 PolarHBondContact O-N 2.96Å; N196-S199 PolarHBondContact O-N 2.85Å; N196-S199 PolarHBondContact O-OG 2.7Å; N196-L200 WeakPolarHBondContact O-CG 3.37Å; N196-L200 PolarHBondContact O-N 2.6Å; N196-A239 HydrophobicContact CB-CB 4.4Å; N196-E243 PolarHBondContact ND2-O 3.15Å; N196-E243 VanDerWaalsContact ND2-O 3.16Å; N196-G245 VanDerWaalsContact OD1-CA 3.25Å; N196-G245 WeakPolarHBondContact OD1-CA 3.48Å; N196-G245 PolarHBondContact OD1-N 2.96Å
197A98.3Very high95.1Very high0 Ų035.1 Ų35.10%021%0.213CC..Hα-helixtrans-56-50.4179.200000112.4T180 A184 L189 E193 T194 S199 L200 A201 A239T180-A197 HydrophobicContact CG2-CB 3.72Å; T180-A197 WeakPolarHBondContact CG2-O 3.43Å; A184-A197 HydrophobicContact CB-CB 4.33Å; L189-A197 HydrophobicContact CD2-CB 4.5Å; E193-A197 WeakPolarHBondContact O-CB 3.48Å; E193-A197 PolarHBondContact O-N 2.86Å; T194-A197 PolarHBondContact O-N 3.02Å; A197-S199 VanDerWaalsContact C-N 3.34Å; A197-S199 PolarHBondContact O-N 3.36Å; A197-L200 WeakPolarHBondContact O-CB 3.33Å; A197-L200 PolarHBondContact O-N 2.91Å; A197-A201 PolarHBondContact O-N 2.72Å; A197-A239 HydrophobicContact CB-CB 3.65Å
198V98.4Very high94.9Very high0 Ų039.7 Ų39.70%024%0.237CC..Hα-helixtrans-65.6-38.4-179176.60000111.1I16 I19 V20 V177 A181 T194 N196 L200 A201I16-V198 HydrophobicContact CG1-CG1 4.43Å; I16-V198 HydrophobicContact CG2-CB 4.12Å; I16-V198 HydrophobicContact CG2-CG1 3.91Å; I19-V198 HydrophobicContact CD1-CG1 4.49Å; I19-V198 HydrophobicContact CG2-CG1 4.36Å; I19-V198 HydrophobicContact CG2-CG2 4.44Å; V20-V198 HydrophobicContact CG2-CB 4.37Å; V20-V198 HydrophobicContact CG2-CG2 4.02Å; V177-V198 HydrophobicContact CG1-CG1 4.41Å; A181-V198 HydrophobicContact CB-CG2 3.79Å; T194-V198 WeakPolarHBondContact O-CG2 3.18Å; T194-V198 PolarHBondContact O-N 3.02Å; N196-V198 PolarHBondContact O-N 2.96Å; V198-L200 VanDerWaalsContact C-N 3.34Å; V198-L200 PolarHBondContact O-N 2.87Å; V198-A201 WeakPolarHBondContact O-CB 3.31Å; V198-A201 PolarHBondContact O-N 3.35Å
199S98.2Very high94.7Very high0 Ų037.3 Ų37.30%021%0.209CC..Hα-helixtrans-62.3-39.817572.70000112.6L195 N196 A197 A201 W202 V203 G245 Y246L195-S199 WeakPolarHBondContact O-CB 3.1Å; L195-S199 PolarHBondContact O-N 2.9Å; L195-S199 PolarHBondContact O-OG 3.09Å; N196-S199 PolarHBondContact O-N 2.85Å; N196-S199 PolarHBondContact O-OG 2.7Å; A197-S199 VanDerWaalsContact C-N 3.34Å; A197-S199 PolarHBondContact O-N 3.36Å; S199-A201 VanDerWaalsContact C-N 3.26Å; S199-A201 PolarHBondContact O-N 2.61Å; S199-W202 PolarHBondContact O-N 2.89Å; S199-W202 VanDerWaalsContact O-N 3.09Å; S199-V203 WeakPolarHBondContact O-CG2 3.36Å; S199-V203 PolarHBondContact O-N 2.65Å; S199-G245 WeakPolarHBondContact OG-CA 3.34Å; S199-Y246 WeakPolarHBondContact CB-O 3.5Å; S199-Y246 PolarHBondContact OG-N 2.81Å
200L97.7Very high94.4Very high19 Ų1940.2 Ų40.210%0.09923%0.227CC..Hα-helixtrans-61.3-33.9176-69.5164.6000112.2N196 A197 V198 W202 V203 L235 E243 Y246N196-L200 WeakPolarHBondContact O-CG 3.37Å; N196-L200 PolarHBondContact O-N 2.6Å; A197-L200 WeakPolarHBondContact O-CB 3.33Å; A197-L200 PolarHBondContact O-N 2.91Å; V198-L200 VanDerWaalsContact C-N 3.34Å; V198-L200 PolarHBondContact O-N 2.87Å; L200-W202 PolarHBondContact O-N 2.92Å; L200-V203 PolarHBondContact O-N 2.9Å; L200-L235 HydrophobicContact CB-CD1 4.3Å; L200-L235 HydrophobicContact CB-CD2 3.82Å; L200-L235 HydrophobicContact CB-CG 4.49Å; L200-L235 HydrophobicContact CD1-CD2 4.41Å; L200-E243 HydrophobicContact CD1-CG 4.16Å; L200-Y246 HydrophobicContact CD2-CD2 4.04Å; L200-Y246 HydrophobicContact CD2-CE2 3.65Å
201A97.2Very high94Very high0 Ų037.7 Ų37.70%021%0.209CC..Hα-helixtrans-62.9-25.6177.500000112.9K176 V177 A197 V198 S199 Q206 L235K176-A201 WeakPolarHBondContact CE-O 3.1Å; K176-A201 HydrophobicContact CG-CB 4.28Å; K176-A201 PolarHBondContact NZ-O 2.79Å; V177-A201 HydrophobicContact CG2-CB 3.94Å; A197-A201 PolarHBondContact O-N 2.72Å; V198-A201 WeakPolarHBondContact O-CB 3.31Å; V198-A201 PolarHBondContact O-N 3.35Å; S199-A201 VanDerWaalsContact C-N 3.26Å; S199-A201 PolarHBondContact O-N 2.61Å; A201-Q206 PolarHBondContact O-NE2 2.84Å; A201-L235 HydrophobicContact CB-CD1 4.02Å
202W97Very high93.6Very high4 Ų433 Ų332%0.01519%0.192CC..Hα-helixtrans-89.9-27.9178.9-69111.4000114.4F164 L173 L174 V177 S199 L200 Q206 A249 L250 F257 F267F164-W202 HydrophobicContact CE1-CZ3 4.38Å; L173-W202 HydrophobicContact CD1-CE3 3.99Å; L173-W202 HydrophobicContact CD1-CZ3 3.92Å; L173-W202 HydrophobicContact CD2-CZ3 3.91Å; L173-W202 HydrophobicContact CG-CZ3 4.08Å; L174-W202 HydrophobicContact CD2-CH2 4.27Å; V177-W202 HydrophobicContact CB-CZ2 4.2Å; V177-W202 HydrophobicContact CG1-CZ2 3.78Å; V177-W202 HydrophobicContact CG2-CD2 3.88Å; V177-W202 VanDerWaalsContact CG2-CE2 3.49Å; V177-W202 HydrophobicContact CG2-CE3 4.32Å; V177-W202 HydrophobicContact CG2-CG 4.45Å; V177-W202 HydrophobicContact CG2-CH2 4.09Å; V177-W202 HydrophobicContact CG2-CZ2 3.62Å; V177-W202 HydrophobicContact CG2-CZ3 4.43Å; S199-W202 PolarHBondContact O-N 2.89Å; S199-W202 VanDerWaalsContact O-N 3.09Å; L200-W202 PolarHBondContact O-N 2.92Å; W202-Q206 PolarHBondContact O-NE2 3.25Å; W202-Q206 VanDerWaalsContact O-NE2 3.07Å; W202-A249 HydrophobicContact CB-CB 4.14Å; W202-L250 HydrophobicContact CB-CD2 4.02Å; W202-L250 HydrophobicContact CD2-CD2 3.57Å; W202-L250 HydrophobicContact CE3-CD2 3.75Å; W202-L250 HydrophobicContact CG-CD2 3.7Å; W202-L250 HydrophobicContact CZ3-CD2 4.38Å; W202-F257 AromaticContact CE3-CD2 3.79Å; W202-F257 HydrophobicContact CE3-CD2 3.79Å; W202-F257 AromaticContact CE3-CE2 3.93Å; W202-F257 HydrophobicContact CE3-CE2 3.93Å; W202-F257 HydrophobicContact CE3-CG 4.12Å; W202-F257 HydrophobicContact CE3-CZ 4.44Å; W202-F257 HydrophobicContact CZ3-CD1 4.45Å; W202-F257 HydrophobicContact CZ3-CD2 4.18Å; W202-F257 HydrophobicContact CZ3-CE1 4.26Å; W202-F257 AromaticContact CZ3-CE2 3.92Å; W202-F257 HydrophobicContact CZ3-CE2 3.92Å; W202-F257 HydrophobicContact CZ3-CG 4.44Å; W202-F257 HydrophobicContact CZ3-CZ 4Å; W202-F267 AromaticContact CH2-CE2 3.6Å; W202-F267 HydrophobicContact CH2-CE2 3.6Å; W202-F267 AromaticContact CH2-CZ 3.85Å; W202-F267 HydrophobicContact CH2-CZ 3.85Å; W202-F267 HydrophobicContact CZ2-CE2 4.15Å; W202-F267 AromaticContact CZ3-CE2 3.97Å; W202-F267 HydrophobicContact CZ3-CE2 3.97Å; W202-F267 AromaticContact CZ3-CZ 3.87Å; W202-F267 HydrophobicContact CZ3-CZ 3.87Å
203V92.8Very high92.9Very high71 Ų7130.5 Ų30.543%0.4318%0.18SC..Hα-helixtrans-74.3-31.3-173.8172.80000113.3S199 L200 Y246 A249S199-V203 WeakPolarHBondContact O-CG2 3.36Å; S199-V203 PolarHBondContact O-N 2.65Å; L200-V203 PolarHBondContact O-N 2.9Å; V203-Y246 HydrophobicContact CG2-CD2 3.79Å; V203-Y246 HydrophobicContact CG2-CG 3.93Å; V203-A249 HydrophobicContact CG2-CB 3.7Å
204D79.2Confident91.9Very high53 Ų5331.4 Ų31.428%0.28320%0.196SC..SBendtrans-63.1154.3179.3-75.1-23.5000112.4Q206 R231D204-Q206 WeakPolarHBondContact O-CG 3.25Å; D204-Q206 PolarHBondContact O-NE2 3.23Å; D204-R231 IonicContact OD1-NH2 2.87Å; D204-R231 PolarHBondContact OD1-NH2 3.31Å; D204-R231 IonicContact OD2-CZ 2.76Å; D204-R231 VanDerWaalsContact OD2-CZ 3.23Å; D204-R231 IonicContact OD2-NE 3.27Å; D204-R231 PolarHBondContact OD2-NE 2.81Å; D204-R231 IonicContact OD2-NH2 2.86Å; D204-R231 PolarHBondContact OD2-NH2 2.79Å
205G76.4Confident91.2Very high78 Ų7836.9 Ų36.980%0.80423%0.231SC*.  trans-55.514116300000110.9
206Q89Confident90.7Very high23 Ų2340.9 Ų40.911%0.10725%0.253CS..  trans-104.2149.7-168-54.1-65.6-6.400111.3L169 L173 A201 W202 D204 L208 F257L169-Q206 HydrophobicContact CD2-CB 3.88Å; L173-Q206 VanDerWaalsContact CD1-CD 3.43Å; L173-Q206 HydrophobicContact CD1-CG 4.42Å; L173-Q206 HydrophobicContact CD2-CB 4.38Å; L173-Q206 HydrophobicContact CD2-CG 4.15Å; A201-Q206 PolarHBondContact O-NE2 2.84Å; W202-Q206 PolarHBondContact O-NE2 3.25Å; W202-Q206 VanDerWaalsContact O-NE2 3.07Å; D204-Q206 WeakPolarHBondContact O-CG 3.25Å; D204-Q206 PolarHBondContact O-NE2 3.23Å; Q206-L208 PolarHBondContact O-N 2.77Å; Q206-F257 HydrophobicContact CG-CD2 4.43Å; Q206-F257 HydrophobicContact CG-CE2 3.92Å
207S91.2Very high90.1Very high28 Ų2840.5 Ų40.520%0.19625%0.251CS..  trans-60.1124-179.2-79.10000110D170D170-S207 WeakPolarHBondContact CB-O 3.28Å; D170-S207 PolarHBondContact N-O 2.95Å
208L94.5Very high89.6Confident106 Ų10641.2 Ų41.256%0.55526%0.258SS*.BIsolated β-bridgetrans-69.3144.4171.7-61.6178.7000109.9Q206 T210 Y211Q206-L208 PolarHBondContact O-N 2.77Å; L208-T210 PolarHBondContact O-N 2.82Å; L208-Y211 VanDerWaalsContact O-CD1 3.28Å; L208-Y211 WeakPolarHBondContact O-CD1 3.48Å; L208-Y211 WeakPolarHBondContact O-CE1 3.32Å
209R92.4Very high89.2Confident13 Ų1345.1 Ų45.15%0.04928%0.282CS..G310 helixtrans-77.6-3.8175.5-157.1172.1-178.899.8-11.4113.6E109 G168 D170 Y211 R212 H213E109-R209 IonicContact OE1-CZ 3.84Å; E109-R209 IonicContact OE1-NH1 2.67Å; E109-R209 PolarHBondContact OE1-NH1 3.47Å; E109-R209 IonicContact OE1-NH2 3.22Å; G168-R209 PolarHBondContact O-N 2.82Å; D170-R209 HydrophobicContact CB-CB 4.46Å; D170-R209 IonicContact OD1-NH1 2.63Å; R209-Y211 PolarHBondContact O-N 2.87Å; R209-R212 HydrophobicContact CG-CB 4.3Å; R209-R212 PolarHBondContact O-N 3.25Å; R209-H213 WeakPolarHBondContact CD-NE2 3.43Å; R209-H213 PolarHBondContact NE-NE2 3.31Å
210T91.5Very high89Confident70 Ų7049.2 Ų49.243%0.42930%0.298SS..G310 helixtrans-49.2-39.4-172.3-51.80000113.1L208 R212 H213 N216L208-T210 PolarHBondContact O-N 2.82Å; T210-R212 PolarHBondContact O-N 3.28Å; T210-R212 VanDerWaalsContact O-N 3.15Å; T210-H213 PolarHBondContact O-N 2.93Å; T210-N216 HydrophobicContact CG2-CB 3.94Å; T210-N216 WeakPolarHBondContact CG2-ND2 3.28Å; T210-N216 WeakPolarHBondContact O-CB 3.38Å
211Y91.1Very high88.7Confident22 Ų2248.5 Ų48.59%0.08629%0.294CS..G310 helixtrans-73.60.9-178.560.1-102.6000115.4D170 L208 R209 N216 T217 G218 R220 K221 A224D170-Y211 WeakPolarHBondContact CB-OH 3.5Å; D170-Y211 PolarHBondContact OD2-OH 3.26Å; L208-Y211 VanDerWaalsContact O-CD1 3.28Å; L208-Y211 WeakPolarHBondContact O-CD1 3.48Å; L208-Y211 WeakPolarHBondContact O-CE1 3.32Å; R209-Y211 PolarHBondContact O-N 2.87Å; Y211-N216 WeakPolarHBondContact CA-O 3.29Å; Y211-T217 VanDerWaalsContact O-CA 3.32Å; Y211-T217 WeakPolarHBondContact O-CA 3.36Å; Y211-G218 PolarHBondContact O-N 2.97Å; Y211-G218 VanDerWaalsContact O-N 3.07Å; Y211-R220 HydrophobicContact CD1-CB 4.26Å; Y211-R220 VanDerWaalsContact CD1-CD 3.44Å; Y211-R220 HydrophobicContact CD1-CG 3.75Å; Y211-R220 HydrophobicContact CD2-CB 4Å; Y211-R220 HydrophobicContact CD2-CG 3.99Å; Y211-R220 HydrophobicContact CE1-CG 3.89Å; Y211-R220 HydrophobicContact CE2-CG 4.16Å; Y211-R220 HydrophobicContact CG-CB 3.82Å; Y211-R220 HydrophobicContact CG-CG 3.79Å; Y211-K221 HydrophobicContact CD2-CB 4.11Å; Y211-K221 HydrophobicContact CE2-CB 4.3Å; Y211-A224 HydrophobicContact CE2-CB 4.15Å; Y211-A224 VanDerWaalsContact OH-CB 3.27Å; Y211-A224 WeakPolarHBondContact OH-CB 3.11Å
212R88.5Confident88.5Confident9 Ų949.2 Ų49.23%0.03430%0.299CS..G310 helixtrans-104.9-12.9172-60-166.8-173.9-94.9-4.8112.9D170 H171 R209 T210 T217 K221D170-R212 WeakPolarHBondContact OD1-CD 3.19Å; D170-R212 IonicContact OD1-CZ 3.24Å; D170-R212 IonicContact OD1-NE 2.89Å; D170-R212 PolarHBondContact OD1-NE 3.06Å; D170-R212 IonicContact OD1-NH2 2.73Å; D170-R212 IonicContact OD2-CZ 2.81Å; D170-R212 IonicContact OD2-NE 3.39Å; D170-R212 PolarHBondContact OD2-NE 3.44Å; D170-R212 IonicContact OD2-NH2 2.8Å; D170-R212 PolarHBondContact OD2-NH2 2.7Å; D170-R212 VanDerWaalsContact OD2-NH2 3.13Å; H171-R212 PolarHBondContact CE1-NH2 2.74Å; R209-R212 HydrophobicContact CG-CB 4.3Å; R209-R212 PolarHBondContact O-N 3.25Å; T210-R212 PolarHBondContact O-N 3.28Å; T210-R212 VanDerWaalsContact O-N 3.15Å; R212-T217 VanDerWaalsContact C-OG1 3.24Å; R212-T217 PolarHBondContact O-OG1 3.1Å; R212-K221 HydrophobicContact CG-CB 4.18Å
213H82.9Confident88.4Confident73 Ų7351.7 Ų51.734%0.33831%0.308SS..SBendtrans-113.1146.1-173.5-69.8-68.8000111.6R209 T210 N216 T217R209-H213 WeakPolarHBondContact CD-NE2 3.43Å; R209-H213 PolarHBondContact NE-NE2 3.31Å; T210-H213 PolarHBondContact O-N 2.93Å; H213-N216 CarbonylContact O-C 3.35Å; H213-N216 WeakPolarHBondContact O-CA 3.27Å; H213-N216 PolarHBondContact O-N 3.3Å; H213-T217 PolarHBondContact N-OG1 2.92Å; H213-T217 PolarHBondContact O-N 2.94Å; H213-T217 VanDerWaalsContact O-N 3.12Å; H213-T217 PolarHBondContact O-OG1 3.15Å
214A78.9Confident88.6Confident68 Ų6848.3 Ų48.356%0.56229%0.288SS*.THydrogen-bonded Turntrans-59.4145174.300000110.6N216 T217A214-N216 VanDerWaalsContact C-N 3.34Å; A214-T217 PolarHBondContact N-OG1 2.87Å
215P83.8Confident89.4Confident115 Ų11545.8 Ų45.875%0.74727%0.274SS*.THydrogen-bonded Turncis-88.812.7-0.437.6-36.9000113.8
216N87.6Confident90.5Very high95 Ų9542 Ų4251%0.50824%0.236SC..  trans-104.79-168.5-61.9-57.2000113.8T210 Y211 H213 A214 G218T210-N216 HydrophobicContact CG2-CB 3.94Å; T210-N216 WeakPolarHBondContact CG2-ND2 3.28Å; T210-N216 WeakPolarHBondContact O-CB 3.38Å; Y211-N216 WeakPolarHBondContact CA-O 3.29Å; H213-N216 CarbonylContact O-C 3.35Å; H213-N216 WeakPolarHBondContact O-CA 3.27Å; H213-N216 PolarHBondContact O-N 3.3Å; A214-N216 VanDerWaalsContact C-N 3.34Å; N216-G218 PolarHBondContact O-N 2.96Å
217T85.9Confident90.9Very high3 Ų343.9 Ų43.92%0.01825%0.246CC..  trans-57.3123.5179.3-58.30000109.6Y211 R212 H213 A214 N340 A342 D343Y211-T217 VanDerWaalsContact O-CA 3.32Å; Y211-T217 WeakPolarHBondContact O-CA 3.36Å; R212-T217 VanDerWaalsContact C-OG1 3.24Å; R212-T217 PolarHBondContact O-OG1 3.1Å; H213-T217 PolarHBondContact N-OG1 2.92Å; H213-T217 PolarHBondContact O-N 2.94Å; H213-T217 VanDerWaalsContact O-N 3.12Å; H213-T217 PolarHBondContact O-OG1 3.15Å; A214-T217 PolarHBondContact N-OG1 2.87Å; T217-N340 PolarHBondContact O-ND2 2.85Å; T217-A342 HydrophobicContact CG2-CB 3.76Å; T217-A342 WeakPolarHBondContact CG2-O 3.42Å; T217-D343 VanDerWaalsContact CB-OD1 3.32Å; T217-D343 WeakPolarHBondContact CB-OD1 3.34Å
218G88.5Confident91.2Very high16 Ų1643 Ų4317%0.16524%0.24CC..  trans-163.2179.8-173.800000113.9Y211 N216 R220 K221Y211-G218 PolarHBondContact O-N 2.97Å; Y211-G218 VanDerWaalsContact O-N 3.07Å; N216-G218 PolarHBondContact O-N 2.96Å; G218-R220 PolarHBondContact O-N 2.96Å; G218-K221 WeakPolarHBondContact O-CG 3.44Å; G218-K221 PolarHBondContact O-N 2.86Å; G218-K221 VanDerWaalsContact O-N 3.11Å
219T88.6Confident91.3Very high81 Ų8137.9 Ų37.950%0.49721%0.214SC..THydrogen-bonded Turntrans-61.8-15.6-167.857.40000115K221 S222 W223T219-K221 PolarHBondContact O-N 3.29Å; T219-K221 VanDerWaalsContact O-N 3.16Å; T219-S222 VanDerWaalsContact O-CB 3.29Å; T219-S222 WeakPolarHBondContact O-CB 3.2Å; T219-S222 PolarHBondContact O-N 2.9Å; T219-W223 PolarHBondContact O-NE1 3.31Å
220R93.9Very high91.6Very high86 Ų8638 Ų3833%0.32522%0.216SC..Hα-helixtrans-54.6-32.2171.8-177.8166.4-179.4119.311.7112.6Y211 G218 S222 W223 A224 D227Y211-R220 HydrophobicContact CD1-CB 4.26Å; Y211-R220 VanDerWaalsContact CD1-CD 3.44Å; Y211-R220 HydrophobicContact CD1-CG 3.75Å; Y211-R220 HydrophobicContact CD2-CB 4Å; Y211-R220 HydrophobicContact CD2-CG 3.99Å; Y211-R220 HydrophobicContact CE1-CG 3.89Å; Y211-R220 HydrophobicContact CE2-CG 4.16Å; Y211-R220 HydrophobicContact CG-CB 3.82Å; Y211-R220 HydrophobicContact CG-CG 3.79Å; G218-R220 PolarHBondContact O-N 2.96Å; R220-S222 PolarHBondContact O-N 2.83Å; R220-S222 VanDerWaalsContact O-N 3.12Å; R220-W223 VanDerWaalsContact CA-CE2 3.49Å; R220-W223 HydrophobicContact CB-CH2 4.2Å; R220-W223 HydrophobicContact CB-CZ2 3.69Å; R220-W223 HydrophobicContact CG-CD2 4.49Å; R220-W223 HydrophobicContact CG-CE3 4.44Å; R220-W223 HydrophobicContact CG-CH2 3.66Å; R220-W223 HydrophobicContact CG-CZ2 3.69Å; R220-W223 HydrophobicContact CG-CZ3 4.05Å; R220-W223 PolarHBondContact O-N 3.02Å; R220-A224 HydrophobicContact CG-CB 4.3Å; R220-A224 WeakPolarHBondContact O-CB 3.49Å; R220-A224 PolarHBondContact O-N 3.14Å; R220-D227 IonicContact NH2-OD2 3.19Å
221K91.3Very high91.9Very high4 Ų438.3 Ų38.32%0.01721%0.21CC..Hα-helixtrans-56-29.8174.977.1171.5-80.3-166.50113.4D100 Y211 R212 G218 T219 A342 D345 H346D100-K221 IonicContact OD2-NZ 3.54Å; Y211-K221 HydrophobicContact CD2-CB 4.11Å; Y211-K221 HydrophobicContact CE2-CB 4.3Å; R212-K221 HydrophobicContact CG-CB 4.18Å; G218-K221 WeakPolarHBondContact O-CG 3.44Å; G218-K221 PolarHBondContact O-N 2.86Å; G218-K221 VanDerWaalsContact O-N 3.11Å; T219-K221 PolarHBondContact O-N 3.29Å; T219-K221 VanDerWaalsContact O-N 3.16Å; K221-A342 HydrophobicContact CD-CB 3.63Å; K221-A342 HydrophobicContact CG-CB 4.33Å; K221-D345 IonicContact NZ-OD2 3.44Å; K221-D345 PolarHBondContact NZ-OD2 2.75Å; K221-H346 PolarHBondContact NZ-CE1 3.01Å; K221-H346 PolarHBondContact NZ-ND1 3.22Å
222S93.4Very high92.3Very high15 Ų1537.2 Ų37.211%0.10521%0.206CC..Hα-helixtrans-86.3-17-172.9-63.80000113R97 W98 T219 R220R97-S222 CarbonylContact C-O 3.53Å; W98-S222 WeakPolarHBondContact CA-O 3.38Å; W98-S222 PolarHBondContact N-O 3.22Å; W98-S222 WeakPolarHBondContact O-CB 3.48Å; W98-S222 PolarHBondContact O-OG 2.85Å; T219-S222 VanDerWaalsContact O-CB 3.29Å; T219-S222 WeakPolarHBondContact O-CB 3.2Å; T219-S222 PolarHBondContact O-N 2.9Å; R220-S222 PolarHBondContact O-N 2.83Å; R220-S222 VanDerWaalsContact O-N 3.12Å
223W95.7Very high92.8Very high56 Ų5636.9 Ų36.921%0.21221%0.205CC..Hα-helixtrans-128.3-5.7179.856.2-101.9000114.8L60 F90 A94 W98 T219 R220 A225 G226 D227L60-W223 HydrophobicContact CD1-CG 4.22Å; F90-W223 HydrophobicContact CE2-CE3 4.33Å; F90-W223 HydrophobicContact CZ-CB 4.47Å; A94-W223 HydrophobicContact CB-CB 4.04Å; W98-W223 HydrophobicContact CZ3-CB 4.31Å; W98-W223 AromaticContact CZ3-CD1 3.93Å; T219-W223 PolarHBondContact O-NE1 3.31Å; R220-W223 VanDerWaalsContact CA-CE2 3.49Å; R220-W223 HydrophobicContact CB-CH2 4.2Å; R220-W223 HydrophobicContact CB-CZ2 3.69Å; R220-W223 HydrophobicContact CG-CD2 4.49Å; R220-W223 HydrophobicContact CG-CE3 4.44Å; R220-W223 HydrophobicContact CG-CH2 3.66Å; R220-W223 HydrophobicContact CG-CZ2 3.69Å; R220-W223 HydrophobicContact CG-CZ3 4.05Å; R220-W223 PolarHBondContact O-N 3.02Å; W223-A225 PolarHBondContact O-N 3.26Å; W223-G226 PolarHBondContact O-N 3.45Å; W223-D227 HydrophobicContact CE3-CB 4.48Å; W223-D227 PolarHBondContact O-N 2.91Å; W223-D227 VanDerWaalsContact O-N 3.1Å
224A96.7Very high93.5Very high0 Ų039.4 Ų39.40%021%0.211CC..Hα-helixtrans-58.9-30.8177.800000113.5V172 Y211 R220 D227 A228V172-A224 HydrophobicContact CG1-CB 4.09Å; V172-A224 HydrophobicContact CG2-CB 4.37Å; Y211-A224 HydrophobicContact CE2-CB 4.15Å; Y211-A224 VanDerWaalsContact OH-CB 3.27Å; Y211-A224 WeakPolarHBondContact OH-CB 3.11Å; R220-A224 HydrophobicContact CG-CB 4.3Å; R220-A224 WeakPolarHBondContact O-CB 3.49Å; R220-A224 PolarHBondContact O-N 3.14Å; A224-D227 WeakPolarHBondContact O-CB 3.41Å; A224-D227 PolarHBondContact O-N 3.46Å; A224-A228 PolarHBondContact O-N 3.08Å
225A96.6Very high94.4Very high0 Ų036.2 Ų36.20%019%0.185CC..Hα-helixtrans-65.1-42.5172.800000112.4R97 D115 V172 W223 D227 A228 T229R97-A225 HydrophobicContact CB-CB 3.76Å; R97-A225 HydrophobicContact CG-CB 3.79Å; D115-A225 HydrophobicContact CB-CB 3.78Å; D115-A225 VanDerWaalsContact OD2-CB 3.3Å; D115-A225 WeakPolarHBondContact OD2-CB 3.25Å; V172-A225 HydrophobicContact CG1-CB 4.4Å; W223-A225 PolarHBondContact O-N 3.26Å; A225-D227 VanDerWaalsContact C-N 3.32Å; A225-D227 PolarHBondContact O-N 2.87Å; A225-A228 PolarHBondContact O-N 3Å; A225-T229 PolarHBondContact O-N 3.06Å; A225-T229 PolarHBondContact O-OG1 2.81Å
226G97.7Very high95.1Very high0 Ų030.8 Ų30.80%015%0.149CC..Hα-helixtrans-61.7-39.8173.200000112.2F90 W223 T229 S230F90-G226 WeakPolarHBondContact CA-O 3.32Å; W223-G226 PolarHBondContact O-N 3.45Å; G226-T229 PolarHBondContact O-OG1 2.98Å; G226-T229 VanDerWaalsContact O-OG1 3.1Å; G226-S230 VanDerWaalsContact O-CB 3.3Å; G226-S230 WeakPolarHBondContact O-CB 3.3Å; G226-S230 PolarHBondContact O-N 3.36Å; G226-S230 PolarHBondContact O-OG 2.76Å
227D97.3Very high95.6Very high62 Ų6228.1 Ų28.133%0.33214%0.135SC..Hα-helixtrans-61-46.7173.8-168.439000111R220 W223 A224 A225 S230 R231R220-D227 IonicContact NH2-OD2 3.19Å; W223-D227 HydrophobicContact CE3-CB 4.48Å; W223-D227 PolarHBondContact O-N 2.91Å; W223-D227 VanDerWaalsContact O-N 3.1Å; A224-D227 WeakPolarHBondContact O-CB 3.41Å; A224-D227 PolarHBondContact O-N 3.46Å; A225-D227 VanDerWaalsContact C-N 3.32Å; A225-D227 PolarHBondContact O-N 2.87Å; D227-S230 PolarHBondContact O-N 3.01Å; D227-S230 PolarHBondContact O-OG 3.27Å; D227-R231 PolarHBondContact O-N 3.31Å
228A97.9Very high96.2Very high8 Ų830.9 Ų30.97%0.06615%0.148CC..Hα-helixtrans-61.3-45.8178.100000113.6V172 V175 K176 A224 A225 R231 A232V172-A228 HydrophobicContact CB-CB 3.97Å; V172-A228 WeakPolarHBondContact O-CB 3.34Å; V175-A228 HydrophobicContact CB-CB 4.27Å; V175-A228 HydrophobicContact CG1-CB 4.25Å; K176-A228 HydrophobicContact CB-CB 4.07Å; A224-A228 PolarHBondContact O-N 3.08Å; A225-A228 PolarHBondContact O-N 3Å; A228-R231 PolarHBondContact O-N 2.9Å; A228-A232 WeakPolarHBondContact O-CB 3.3Å; A228-A232 PolarHBondContact O-N 3.15Å
229T97.7Very high96.7Very high0 Ų030.1 Ų30.10%014%0.14CC..Hα-helixtrans-68.9-36.7177.756.60000112.3A89 D115 V175 A225 G226 R231 A232 V233A89-T229 PolarHBondContact O-OG1 3.46Å; D115-T229 WeakPolarHBondContact O-CG2 3.4Å; V175-T229 HydrophobicContact CG1-CG2 3.75Å; A225-T229 PolarHBondContact O-N 3.06Å; A225-T229 PolarHBondContact O-OG1 2.81Å; G226-T229 PolarHBondContact O-OG1 2.98Å; G226-T229 VanDerWaalsContact O-OG1 3.1Å; T229-R231 VanDerWaalsContact C-N 3.34Å; T229-R231 PolarHBondContact O-N 2.96Å; T229-A232 WeakPolarHBondContact O-CB 3.14Å; T229-A232 PolarHBondContact O-N 3.25Å; T229-V233 WeakPolarHBondContact O-CG2 3.16Å; T229-V233 PolarHBondContact O-N 2.74Å
230S98.4Very high97.1Very high15 Ų1530.8 Ų30.811%0.10514%0.136CC..Hα-helixtrans-61.7-43.5174.5810000111.4V86 G226 D227 A232 V233 R234V86-S230 WeakPolarHBondContact O-CB 3.45Å; G226-S230 VanDerWaalsContact O-CB 3.3Å; G226-S230 WeakPolarHBondContact O-CB 3.3Å; G226-S230 PolarHBondContact O-N 3.36Å; G226-S230 PolarHBondContact O-OG 2.76Å; D227-S230 PolarHBondContact O-N 3.01Å; D227-S230 PolarHBondContact O-OG 3.27Å; S230-A232 VanDerWaalsContact C-N 3.34Å; S230-A232 PolarHBondContact O-N 3.22Å; S230-V233 PolarHBondContact O-N 2.92Å; S230-R234 PolarHBondContact O-N 2.85Å
231R98Very high97.3Very high76 Ų7632.3 Ų32.329%0.28716%0.155SC..Hα-helixtrans-63.4-41.6175.2-175.758.5175158-1.1111.1K176 D204 D227 A228 T229 V233 R234 L235K176-R231 HydrophobicContact CD-CB 4.25Å; K176-R231 HydrophobicContact CD-CG 3.77Å; K176-R231 HydrophobicContact CG-CG 4.43Å; D204-R231 IonicContact OD1-NH2 2.87Å; D204-R231 PolarHBondContact OD1-NH2 3.31Å; D204-R231 IonicContact OD2-CZ 2.76Å; D204-R231 VanDerWaalsContact OD2-CZ 3.23Å; D204-R231 IonicContact OD2-NE 3.27Å; D204-R231 PolarHBondContact OD2-NE 2.81Å; D204-R231 IonicContact OD2-NH2 2.86Å; D204-R231 PolarHBondContact OD2-NH2 2.79Å; D227-R231 PolarHBondContact O-N 3.31Å; A228-R231 PolarHBondContact O-N 2.9Å; T229-R231 VanDerWaalsContact C-N 3.34Å; T229-R231 PolarHBondContact O-N 2.96Å; R231-V233 PolarHBondContact O-N 2.84Å; R231-R234 WeakPolarHBondContact O-CB 3.4Å; R231-R234 PolarHBondContact O-N 2.79Å; R231-L235 HydrophobicContact CG-CD1 4.11Å; R231-L235 HydrophobicContact CG-CG 4.27Å; R231-L235 VanDerWaalsContact CZ-CD2 3.46Å; R231-L235 WeakPolarHBondContact O-CB 3.41Å; R231-L235 VanDerWaalsContact O-CG 3.31Å; R231-L235 WeakPolarHBondContact O-CG 3.44Å; R231-L235 PolarHBondContact O-N 3.37Å
232A98.4Very high97.6Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-58.4-47.8177.100000112.6K176 S179 T180 A228 T229 S230 R234 L235 A236K176-A232 WeakPolarHBondContact O-CB 3.39Å; S179-A232 VanDerWaalsContact CB-CB 3.47Å; T180-A232 VanDerWaalsContact OG1-CA 3.28Å; T180-A232 WeakPolarHBondContact OG1-CA 3.37Å; T180-A232 VanDerWaalsContact OG1-CB 3.3Å; T180-A232 WeakPolarHBondContact OG1-CB 3.28Å; A228-A232 WeakPolarHBondContact O-CB 3.3Å; A228-A232 PolarHBondContact O-N 3.15Å; T229-A232 WeakPolarHBondContact O-CB 3.14Å; T229-A232 PolarHBondContact O-N 3.25Å; S230-A232 VanDerWaalsContact C-N 3.34Å; S230-A232 PolarHBondContact O-N 3.22Å; A232-R234 VanDerWaalsContact C-N 3.32Å; A232-R234 PolarHBondContact O-N 3.21Å; A232-L235 PolarHBondContact O-N 3.23Å; A232-A236 PolarHBondContact O-N 2.94Å
233V98.7Very high97.8Very high2 Ų238 Ų381%0.01220%0.196CC..Hα-helixtrans-60.8-43.5175.6176.80000110.8P85 V86 A89 V183 T229 S230 R231 L235 A236 L237P85-V233 HydrophobicContact CB-CG1 4.18Å; V86-V233 HydrophobicContact CG2-CB 4.42Å; V86-V233 HydrophobicContact CG2-CG1 3.95Å; A89-V233 HydrophobicContact CB-CG2 3.86Å; V183-V233 HydrophobicContact CG1-CG2 4.25Å; V183-V233 HydrophobicContact CG2-CG2 4.17Å; T229-V233 WeakPolarHBondContact O-CG2 3.16Å; T229-V233 PolarHBondContact O-N 2.74Å; S230-V233 PolarHBondContact O-N 2.92Å; R231-V233 PolarHBondContact O-N 2.84Å; V233-L235 PolarHBondContact O-N 2.85Å; V233-A236 PolarHBondContact O-N 2.84Å; V233-L237 HydrophobicContact CG1-CD1 4Å; V233-L237 WeakPolarHBondContact O-CB 3.28Å; V233-L237 VanDerWaalsContact O-CG 3.28Å; V233-L237 WeakPolarHBondContact O-CG 3.42Å; V233-L237 PolarHBondContact O-N 2.81Å
234R98.4Very high97.8Very high126 Ų12639.9 Ų39.948%0.47521%0.208SC..Hα-helixtrans-62.1-43.2178.1-178.361.2177.7-171.62.5112.7V86 S230 R231 A232 L237 M238V86-R234 HydrophobicContact CG1-CB 4.34Å; V86-R234 HydrophobicContact CG2-CB 4.15Å; S230-R234 PolarHBondContact O-N 2.85Å; R231-R234 WeakPolarHBondContact O-CB 3.4Å; R231-R234 PolarHBondContact O-N 2.79Å; A232-R234 VanDerWaalsContact C-N 3.32Å; A232-R234 PolarHBondContact O-N 3.21Å; R234-L237 PolarHBondContact O-N 3.1Å; R234-M238 HydrophobicContact CG-CE 4.3Å; R234-M238 HydrophobicContact CG-SD 4.27Å; R234-M238 WeakPolarHBondContact O-CG 3.41Å; R234-M238 PolarHBondContact O-N 2.68Å
235L98.3Very high97.7Very high1 Ų139.9 Ų39.91%0.00521%0.208CC..Hα-helixtrans-65.8-44.1180-73.2178.4000111.9T180 L200 A201 R231 A232 V233 L237 M238 A239T180-L235 HydrophobicContact CG2-CB 4.32Å; L200-L235 HydrophobicContact CB-CD1 4.3Å; L200-L235 HydrophobicContact CB-CD2 3.82Å; L200-L235 HydrophobicContact CB-CG 4.49Å; L200-L235 HydrophobicContact CD1-CD2 4.41Å; A201-L235 HydrophobicContact CB-CD1 4.02Å; R231-L235 HydrophobicContact CG-CD1 4.11Å; R231-L235 HydrophobicContact CG-CG 4.27Å; R231-L235 VanDerWaalsContact CZ-CD2 3.46Å; R231-L235 WeakPolarHBondContact O-CB 3.41Å; R231-L235 VanDerWaalsContact O-CG 3.31Å; R231-L235 WeakPolarHBondContact O-CG 3.44Å; R231-L235 PolarHBondContact O-N 3.37Å; A232-L235 PolarHBondContact O-N 3.23Å; V233-L235 PolarHBondContact O-N 2.85Å; L235-L237 VanDerWaalsContact C-N 3.31Å; L235-L237 PolarHBondContact O-N 3.37Å; L235-M238 HydrophobicContact CD2-SD 4.36Å; L235-M238 PolarHBondContact O-N 2.68Å; L235-A239 PolarHBondContact O-N 2.81Å
236A98.5Very high97.8Very high0 Ų044.6 Ų44.60%023%0.227CC..Hα-helixtrans-62.8-38.5175.500000111.9V183 A184 L187 A232 V233 A239 K240V183-A236 HydrophobicContact CB-CB 4.39Å; V183-A236 HydrophobicContact CG1-CB 3.8Å; A184-A236 HydrophobicContact CB-CB 4.27Å; L187-A236 HydrophobicContact CD1-CB 3.73Å; A232-A236 PolarHBondContact O-N 2.94Å; V233-A236 PolarHBondContact O-N 2.84Å; A236-A239 PolarHBondContact O-N 2.93Å; A236-K240 WeakPolarHBondContact O-CB 3.26Å; A236-K240 PolarHBondContact O-N 3.46Å
237L98.5Very high97.7Very high39 Ų3945 Ų4520%0.20423%0.23CC..Hα-helixtrans-65.5-36.9173.4-72170.6000112.9P85 V86 W126 L187 V233 R234 L235 K240 T241P85-L237 HydrophobicContact CG-CD1 4.46Å; V86-L237 HydrophobicContact CG2-CD1 3.98Å; W126-L237 HydrophobicContact CH2-CD2 4.18Å; W126-L237 HydrophobicContact CZ3-CD2 4.18Å; L187-L237 HydrophobicContact CD1-CD2 4.01Å; L187-L237 HydrophobicContact CD1-CG 4.25Å; L187-L237 HydrophobicContact CD2-CD2 4.23Å; V233-L237 HydrophobicContact CG1-CD1 4Å; V233-L237 WeakPolarHBondContact O-CB 3.28Å; V233-L237 VanDerWaalsContact O-CG 3.28Å; V233-L237 WeakPolarHBondContact O-CG 3.42Å; V233-L237 PolarHBondContact O-N 2.81Å; R234-L237 PolarHBondContact O-N 3.1Å; L235-L237 VanDerWaalsContact C-N 3.31Å; L235-L237 PolarHBondContact O-N 3.37Å; L237-K240 WeakPolarHBondContact O-CB 3.15Å; L237-K240 PolarHBondContact O-N 2.83Å; L237-T241 PolarHBondContact O-N 3.1Å
238M98.3Very high97.7Very high61 Ų6143.7 Ų43.730%0.323%0.225SC..Hα-helixtrans-66.2-48.1174.4-73.7170.3156.400111.1R234 L235 K240 T241 E243R234-M238 HydrophobicContact CG-CE 4.3Å; R234-M238 HydrophobicContact CG-SD 4.27Å; R234-M238 WeakPolarHBondContact O-CG 3.41Å; R234-M238 PolarHBondContact O-N 2.68Å; L235-M238 HydrophobicContact CD2-SD 4.36Å; L235-M238 PolarHBondContact O-N 2.68Å; M238-K240 PolarHBondContact O-N 2.84Å; M238-T241 WeakPolarHBondContact O-CA 3.5Å; M238-T241 WeakPolarHBondContact O-CB 3.25Å; M238-T241 PolarHBondContact O-N 2.98Å; M238-T241 PolarHBondContact O-OG1 3.19Å; M238-E243 HydrophobicContact CB-CB 4.29Å; M238-E243 VanDerWaalsContact O-CB 3.28Å; M238-E243 WeakPolarHBondContact O-CB 3.42Å; M238-E243 PolarHBondContact O-N 2.98Å
239A98.1Very high97.6Very high0 Ų043.8 Ų43.80%023%0.226CC..Hα-helixtrans-57.6-37.9176.400000112.2L189 E193 N196 A197 L235 A236 T241 G242L189-A239 HydrophobicContact CD2-CB 3.97Å; E193-A239 WeakPolarHBondContact O-CB 3.34Å; N196-A239 HydrophobicContact CB-CB 4.4Å; A197-A239 HydrophobicContact CB-CB 3.65Å; L235-A239 PolarHBondContact O-N 2.81Å; A236-A239 PolarHBondContact O-N 2.93Å; A239-T241 PolarHBondContact O-N 3.19Å; A239-G242 PolarHBondContact O-N 3.35Å
240K97.9Very high97.6Very high95 Ų9543.8 Ų43.841%0.41323%0.226SC..THydrogen-bonded Turntrans-59.8-23.5173.7-167169.1-179158.90114.2L187 L189 A236 L237 M238 G242L187-K240 PolarHBondContact O-NZ 3.06Å; L189-K240 HydrophobicContact CD1-CB 3.84Å; L189-K240 HydrophobicContact CD1-CD 3.9Å; L189-K240 HydrophobicContact CD1-CG 3.91Å; L189-K240 HydrophobicContact CG-CB 4.3Å; A236-K240 WeakPolarHBondContact O-CB 3.26Å; A236-K240 PolarHBondContact O-N 3.46Å; L237-K240 WeakPolarHBondContact O-CB 3.15Å; L237-K240 PolarHBondContact O-N 2.83Å; M238-K240 PolarHBondContact O-N 2.84Å; K240-G242 VanDerWaalsContact C-N 3.25Å
241T97.7Very high97.6Very high118 Ų11846.7 Ų46.772%0.72424%0.243SC*.THydrogen-bonded Turntrans-85.13.3174.862.10000113.4L237 M238 A239L237-T241 PolarHBondContact O-N 3.1Å; M238-T241 WeakPolarHBondContact O-CA 3.5Å; M238-T241 WeakPolarHBondContact O-CB 3.25Å; M238-T241 PolarHBondContact O-N 2.98Å; M238-T241 PolarHBondContact O-OG1 3.19Å; A239-T241 PolarHBondContact O-N 3.19Å
242G96.5Very high97.4Very high58 Ų5844 Ų4460%0.59824%0.237SC*.THydrogen-bonded Turntrans90.115.5-176.600000114.1A239 K240A239-G242 PolarHBondContact O-N 3.35Å; K240-G242 VanDerWaalsContact C-N 3.25Å
243E97.7Very high97.1Very high82 Ų8248.9 Ų48.938%0.38327%0.269SS..PPolyproline II helixtrans-60.7137.7174.1-174.355.2-127.600110.6N196 L200 M238N196-E243 PolarHBondContact ND2-O 3.15Å; N196-E243 VanDerWaalsContact ND2-O 3.16Å; L200-E243 HydrophobicContact CD1-CG 4.16Å; M238-E243 HydrophobicContact CB-CB 4.29Å; M238-E243 VanDerWaalsContact O-CB 3.28Å; M238-E243 WeakPolarHBondContact O-CB 3.42Å; M238-E243 PolarHBondContact O-N 2.98Å
244M96.1Very high96.9Very high95 Ų9553.2 Ų53.247%0.46830%0.295SS..PPolyproline II helixtrans-80.5146.3-171.864.9176.6-72.800112.7
245G96Very high96.6Very high0 Ų057.3 Ų57.30%031%0.311CS..PPolyproline II helixtrans-90.7166.3172.200000114.3R9 N196 S199 P247R9-G245 PolarHBondContact NH2-O 2.81Å; N196-G245 VanDerWaalsContact OD1-CA 3.25Å; N196-G245 WeakPolarHBondContact OD1-CA 3.48Å; N196-G245 PolarHBondContact OD1-N 2.96Å; S199-G245 WeakPolarHBondContact OG-CA 3.34Å; G245-P247 WeakPolarHBondContact O-CD 3.31Å
246Y96.8Very high96.5Very high98 Ų9857.3 Ų57.338%0.38431%0.311SS..  trans-11797.6-178.9-61.3-86.1000109.8S199 L200 V203 S248 A249S199-Y246 WeakPolarHBondContact CB-O 3.5Å; S199-Y246 PolarHBondContact OG-N 2.81Å; L200-Y246 HydrophobicContact CD2-CD2 4.04Å; L200-Y246 HydrophobicContact CD2-CE2 3.65Å; V203-Y246 HydrophobicContact CG2-CD2 3.79Å; V203-Y246 HydrophobicContact CG2-CG 3.93Å; Y246-S248 VanDerWaalsContact C-N 3.32Å; Y246-S248 PolarHBondContact O-N 2.99Å; Y246-A249 WeakPolarHBondContact O-CB 3.34Å; Y246-A249 PolarHBondContact O-N 2.76Å
247P97.3Very high96.4Very high10 Ų1057.7 Ų57.77%0.06531%0.313CS..THydrogen-bonded Turntrans-59.5-38.5-169.5-26.835.4000114.4R9 P10 E11 F12 D13 G245R9-P247 HydrophobicContact CG-CG 4.08Å; P10-P247 HydrophobicContact CG-CB 4.28Å; P10-P247 VanDerWaalsContact O-CB 3.24Å; P10-P247 WeakPolarHBondContact O-CB 3.48Å; E11-P247 WeakPolarHBondContact O-CB 3.49Å; F12-P247 CarbonylContact C-O 3.54Å; F12-P247 WeakPolarHBondContact CA-O 3.4Å; F12-P247 HydrophobicContact CB-CB 4.42Å; F12-P247 HydrophobicContact CD1-CB 4.11Å; F12-P247 HydrophobicContact CD1-CG 4.45Å; F12-P247 HydrophobicContact CD2-CB 4.09Å; F12-P247 HydrophobicContact CD2-CG 4.18Å; F12-P247 HydrophobicContact CE1-CB 4.38Å; F12-P247 HydrophobicContact CE1-CG 4.25Å; F12-P247 HydrophobicContact CE2-CB 4.39Å; F12-P247 HydrophobicContact CE2-CG 3.99Å; F12-P247 HydrophobicContact CG-CB 3.95Å; F12-P247 HydrophobicContact CG-CG 4.41Å; F12-P247 HydrophobicContact CZ-CG 4.02Å; D13-P247 VanDerWaalsContact CG-O 3.27Å; D13-P247 PolarHBondContact N-O 3.44Å; D13-P247 VanDerWaalsContact OD2-O 3.11Å; G245-P247 WeakPolarHBondContact O-CD 3.31Å
248S96.3Very high96.3Very high33 Ų3356.8 Ų56.823%0.23131%0.307CS..THydrogen-bonded Turntrans-100.333.7-179.863.10000113.3D13 Y246 L250 T251 A252D13-S248 VanDerWaalsContact OD2-CA 3.26Å; D13-S248 WeakPolarHBondContact OD2-CA 3.27Å; Y246-S248 VanDerWaalsContact C-N 3.32Å; Y246-S248 PolarHBondContact O-N 2.99Å; S248-L250 PolarHBondContact O-N 2.63Å; S248-L250 VanDerWaalsContact O-N 3.13Å; S248-T251 PolarHBondContact O-N 2.9Å; S248-A252 WeakPolarHBondContact O-CB 3.39Å; S248-A252 PolarHBondContact O-N 2.81Å
249A97Very high96.2Very high11 Ų1157.6 Ų57.69%0.09131%0.312CS..THydrogen-bonded Turntrans-56.3-28-177.500000113.2D13 I16 W202 V203 Y246 G256 F257D13-A249 PolarHBondContact OD2-N 2.88Å; I16-A249 HydrophobicContact CD1-CB 4.35Å; W202-A249 HydrophobicContact CB-CB 4.14Å; V203-A249 HydrophobicContact CG2-CB 3.7Å; Y246-A249 WeakPolarHBondContact O-CB 3.34Å; Y246-A249 PolarHBondContact O-N 2.76Å; A249-G256 WeakPolarHBondContact O-CA 3.38Å; A249-F257 PolarHBondContact O-N 2.54Å
250L97.8Very high96Very high0 Ų061.9 Ų61.90%034%0.338CS..THydrogen-bonded Turntrans-92-46.3177-54.3177.4000112.1D13 V15 I16 W202 S248 G256 F257 Y258 F267D13-L250 HydrophobicContact CB-CB 4.33Å; D13-L250 HydrophobicContact CB-CD1 4.06Å; D13-L250 HydrophobicContact CB-CG 4.33Å; D13-L250 WeakPolarHBondContact OD2-CA 3.31Å; D13-L250 VanDerWaalsContact OD2-CB 3.31Å; D13-L250 WeakPolarHBondContact OD2-CB 3.43Å; D13-L250 PolarHBondContact OD2-N 3.25Å; V15-L250 HydrophobicContact CB-CD1 3.8Å; V15-L250 HydrophobicContact CG1-CD1 4.12Å; V15-L250 HydrophobicContact CG2-CD1 4.37Å; I16-L250 HydrophobicContact CD1-CG 4.47Å; I16-L250 HydrophobicContact CG1-CD1 4.23Å; W202-L250 HydrophobicContact CB-CD2 4.02Å; W202-L250 HydrophobicContact CD2-CD2 3.57Å; W202-L250 HydrophobicContact CE3-CD2 3.75Å; W202-L250 HydrophobicContact CG-CD2 3.7Å; W202-L250 HydrophobicContact CZ3-CD2 4.38Å; S248-L250 PolarHBondContact O-N 2.63Å; S248-L250 VanDerWaalsContact O-N 3.13Å; L250-G256 CarbonylContact O-C 3.48Å; L250-F257 HydrophobicContact CD2-CB 3.65Å; L250-F257 HydrophobicContact CD2-CD1 4.39Å; L250-F257 HydrophobicContact CD2-CG 4.09Å; L250-F257 PolarHBondContact O-N 2.98Å; L250-Y258 HydrophobicContact CB-CD2 4.08Å; L250-Y258 HydrophobicContact CB-CE1 4.32Å; L250-Y258 HydrophobicContact CB-CE2 3.69Å; L250-Y258 VanDerWaalsContact O-CD2 3.31Å; L250-Y258 WeakPolarHBondContact O-CD2 3.49Å; L250-Y258 PolarHBondContact O-N 3.15Å; L250-Y258 VanDerWaalsContact O-N 3.09Å; L250-F267 HydrophobicContact CD2-CE2 4.47Å
251T97.1Very high95.9Very high76 Ų7658.9 Ų58.947%0.46633%0.329SS..THydrogen-bonded Turntrans-97.6-4.7-168.159.90000115.7D13 S248 P253 Y258D13-T251 VanDerWaalsContact OD1-CB 3.26Å; D13-T251 WeakPolarHBondContact OD1-CB 3.3Å; D13-T251 WeakPolarHBondContact OD1-CG2 3.35Å; D13-T251 PolarHBondContact OD1-OG1 2.91Å; D13-T251 PolarHBondContact OD2-N 3.07Å; S248-T251 PolarHBondContact O-N 2.9Å; T251-P253 WeakPolarHBondContact O-CD 2.93Å; T251-P253 VanDerWaalsContact O-N 3.14Å; T251-Y258 HydrophobicContact CG2-CD2 4.01Å; T251-Y258 HydrophobicContact CG2-CE2 3.8Å
252A94.4Very high95.8Very high20 Ų2053.8 Ų53.817%0.16530%0.297CS..  trans-53.3122.4178.800000110.3S248 V254 W255 G256S248-A252 WeakPolarHBondContact O-CB 3.39Å; S248-A252 PolarHBondContact O-N 2.81Å; A252-V254 PolarHBondContact O-N 2.63Å; A252-W255 PolarHBondContact O-N 3.27Å; A252-G256 VanDerWaalsContact O-CA 3.31Å; A252-G256 WeakPolarHBondContact O-CA 3.34Å; A252-G256 PolarHBondContact O-N 3.14Å
253P92.4Very high95.7Very high102 Ų10258.7 Ų58.766%0.66230%0.302SS*.THydrogen-bonded Turntrans-58.8137.4179.9-25.334.3000111T251 W255T251-P253 WeakPolarHBondContact O-CD 2.93Å; T251-P253 VanDerWaalsContact O-N 3.14Å; P253-W255 PolarHBondContact O-N 2.92Å
254V93.8Very high95.6Very high93 Ų9356.9 Ų56.956%0.56431%0.305SS*.THydrogen-bonded Turntrans68.7-32.8-178.1-175.10000114.8A252 D259 V260A252-V254 PolarHBondContact O-N 2.63Å; V254-D259 PolarHBondContact N-OD2 2.81Å; V254-V260 WeakPolarHBondContact O-CG2 3.32Å
255W93Very high95.6Very high212 Ų21258.1 Ų58.180%0.80331%0.31SS*.THydrogen-bonded Turntrans-113.1-18.5-168.3-53.7115.4000114.9A252 P253A252-W255 PolarHBondContact O-N 3.27Å; P253-W255 PolarHBondContact O-N 2.92Å
256G94.9Very high95.6Very high1 Ų161.7 Ų61.71%0.0134%0.335CS..SBendtrans-71.8160.5-178.200000112.1A249 L250 A252 Y258 D259 V260A249-G256 WeakPolarHBondContact O-CA 3.38Å; L250-G256 CarbonylContact O-C 3.48Å; A252-G256 VanDerWaalsContact O-CA 3.31Å; A252-G256 WeakPolarHBondContact O-CA 3.34Å; A252-G256 PolarHBondContact O-N 3.14Å; G256-Y258 PolarHBondContact O-N 3.15Å; G256-D259 PolarHBondContact O-N 3.5Å; G256-V260 WeakPolarHBondContact O-CB 3.43Å; G256-V260 WeakPolarHBondContact O-CG2 3.46Å; G256-V260 PolarHBondContact O-N 3.26Å
257F97Very high95.6Very high7 Ų757.7 Ų57.73%0.03132%0.32CS..Hα-helixtrans-52.3-41.1-179.4-177.5-84.8000112.8F164 L169 L173 W202 Q206 A249 L250 S261 F262 F267F164-F257 HydrophobicContact CD1-CZ 4.16Å; F164-F257 HydrophobicContact CE1-CE1 4.08Å; F164-F257 AromaticContact CE1-CZ 3.73Å; F164-F257 HydrophobicContact CE1-CZ 3.73Å; L169-F257 HydrophobicContact CD1-CE2 4.13Å; L169-F257 HydrophobicContact CD1-CZ 3.69Å; L173-F257 HydrophobicContact CD2-CE2 3.5Å; L173-F257 HydrophobicContact CD2-CZ 3.61Å; W202-F257 AromaticContact CE3-CD2 3.79Å; W202-F257 HydrophobicContact CE3-CD2 3.79Å; W202-F257 AromaticContact CE3-CE2 3.93Å; W202-F257 HydrophobicContact CE3-CE2 3.93Å; W202-F257 HydrophobicContact CE3-CG 4.12Å; W202-F257 HydrophobicContact CE3-CZ 4.44Å; W202-F257 HydrophobicContact CZ3-CD1 4.45Å; W202-F257 HydrophobicContact CZ3-CD2 4.18Å; W202-F257 HydrophobicContact CZ3-CE1 4.26Å; W202-F257 AromaticContact CZ3-CE2 3.92Å; W202-F257 HydrophobicContact CZ3-CE2 3.92Å; W202-F257 HydrophobicContact CZ3-CG 4.44Å; W202-F257 HydrophobicContact CZ3-CZ 4Å; Q206-F257 HydrophobicContact CG-CD2 4.43Å; Q206-F257 HydrophobicContact CG-CE2 3.92Å; A249-F257 PolarHBondContact O-N 2.54Å; L250-F257 HydrophobicContact CD2-CB 3.65Å; L250-F257 HydrophobicContact CD2-CD1 4.39Å; L250-F257 HydrophobicContact CD2-CG 4.09Å; L250-F257 PolarHBondContact O-N 2.98Å; F257-S261 CarbonylContact O-C 3.09Å; F257-S261 WeakPolarHBondContact O-CA 3.46Å; F257-S261 WeakPolarHBondContact O-CB 3.21Å; F257-S261 PolarHBondContact O-N 3.05Å; F257-F262 HydrophobicContact CD1-CB 4.09Å; F257-F262 HydrophobicContact CE1-CB 3.79Å; F257-F262 AromaticContact CE1-CD2 3.79Å; F257-F262 HydrophobicContact CE1-CD2 3.79Å; F257-F262 HydrophobicContact CE1-CG 4.01Å; F257-F262 HydrophobicContact CZ-CD2 4.38Å; F257-F262 PolarHBondContact O-N 2.9Å; F257-F262 VanDerWaalsContact O-N 3.12Å; F257-F267 HydrophobicContact CD1-CE1 4.33Å; F257-F267 AromaticContact CD1-CZ 3.79Å; F257-F267 HydrophobicContact CD1-CZ 3.79Å; F257-F267 AromaticContact CE1-CE1 3.83Å; F257-F267 HydrophobicContact CE1-CE1 3.83Å; F257-F267 AromaticContact CE1-CZ 3.47Å; F257-F267 HydrophobicContact CE1-CZ 3.47Å; F257-F267 VanDerWaalsContact CE1-CZ 3.47Å; F257-F267 HydrophobicContact CZ-CZ 4.31Å
258Y96.9Very high95.6Very high20 Ų2065.4 Ų65.48%0.07835%0.347CS..Hα-helixtrans-61.2-53.3-178.6-63.4-36.3000111.3L250 T251 G256 F262 K263 G264 E265 F267L250-Y258 HydrophobicContact CB-CD2 4.08Å; L250-Y258 HydrophobicContact CB-CE1 4.32Å; L250-Y258 HydrophobicContact CB-CE2 3.69Å; L250-Y258 VanDerWaalsContact O-CD2 3.31Å; L250-Y258 WeakPolarHBondContact O-CD2 3.49Å; L250-Y258 PolarHBondContact O-N 3.15Å; L250-Y258 VanDerWaalsContact O-N 3.09Å; T251-Y258 HydrophobicContact CG2-CD2 4.01Å; T251-Y258 HydrophobicContact CG2-CE2 3.8Å; G256-Y258 PolarHBondContact O-N 3.15Å; Y258-F262 HydrophobicContact CD1-CB 4.42Å; Y258-F262 CarbonylContact O-C 3.48Å; Y258-F262 VanDerWaalsContact O-CA 3.31Å; Y258-F262 WeakPolarHBondContact O-CA 3.31Å; Y258-F262 PolarHBondContact O-N 3.13Å; Y258-K263 PolarHBondContact O-N 2.58Å; Y258-K263 VanDerWaalsContact O-N 3.14Å; Y258-G264 WeakPolarHBondContact O-CA 3.43Å; Y258-G264 PolarHBondContact O-N 3.1Å; Y258-E265 WeakPolarHBondContact CD1-O 3.24Å; Y258-F267 HydrophobicContact CD1-CD1 4.47Å; Y258-F267 HydrophobicContact CD1-CE1 4.34Å; Y258-F267 HydrophobicContact CD1-CZ 4.49Å; Y258-F267 HydrophobicContact CE1-CB 4.35Å; Y258-F267 AromaticContact CE1-CD1 3.74Å; Y258-F267 HydrophobicContact CE1-CD1 3.74Å; Y258-F267 AromaticContact CE1-CD2 3.65Å; Y258-F267 HydrophobicContact CE1-CD2 3.65Å; Y258-F267 AromaticContact CE1-CE1 3.84Å; Y258-F267 HydrophobicContact CE1-CE1 3.84Å; Y258-F267 AromaticContact CE1-CE2 3.75Å; Y258-F267 HydrophobicContact CE1-CE2 3.75Å; Y258-F267 AromaticContact CE1-CG 3.64Å; Y258-F267 HydrophobicContact CE1-CG 3.64Å; Y258-F267 AromaticContact CE1-CZ 3.84Å; Y258-F267 HydrophobicContact CE1-CZ 3.84Å; Y258-F267 WeakPolarHBondContact OH-CD2 3.39Å
259D95.4Very high95.6Very high78 Ų7867.3 Ų67.342%0.41735%0.351SS..Hα-helixtrans-66-44.3-178.7-75.27.4000112.2V254 G256V254-D259 PolarHBondContact N-OD2 2.81Å; G256-D259 PolarHBondContact O-N 3.5Å
260V95.1Very high95.3Very high90 Ų9070.6 Ų70.655%0.54537%0.365SS..Hα-helixtrans-80.4-42.6-172.4177.40000112.5V254 G256V254-V260 WeakPolarHBondContact O-CG2 3.32Å; G256-V260 WeakPolarHBondContact O-CB 3.43Å; G256-V260 WeakPolarHBondContact O-CG2 3.46Å; G256-V260 PolarHBondContact O-N 3.26Å
261S94.9Very high95Very high33 Ų3374.3 Ų74.323%0.23138%0.379CS..Hα-helixtrans-119.9-11-164.5-60.70000113.5V167 F257V167-S261 WeakPolarHBondContact CG2-O 3.43Å; F257-S261 CarbonylContact O-C 3.09Å; F257-S261 WeakPolarHBondContact O-CA 3.46Å; F257-S261 WeakPolarHBondContact O-CB 3.21Å; F257-S261 PolarHBondContact O-N 3.05Å
262F95.6Very high95Very high10 Ų1076.2 Ų76.24%0.04439%0.393CS..SBendtrans-129.324.5-177-140.5-109.1000113.8N162 F164 V167 F257 Y258 G264 E265 F267N162-F262 HydrophobicContact CB-CZ 3.96Å; F164-F262 HydrophobicContact CD1-CD2 4.47Å; F164-F262 HydrophobicContact CD1-CE2 4.05Å; F164-F262 HydrophobicContact CE1-CD2 4.48Å; F164-F262 HydrophobicContact CE1-CE2 4.15Å; F164-F262 HydrophobicContact CG-CE2 4.26Å; F164-F262 HydrophobicContact CZ-CE2 4.42Å; V167-F262 HydrophobicContact CG1-CD2 4.42Å; V167-F262 HydrophobicContact CG2-CD2 3.7Å; V167-F262 HydrophobicContact CG2-CE2 3.89Å; F257-F262 HydrophobicContact CD1-CB 4.09Å; F257-F262 HydrophobicContact CE1-CB 3.79Å; F257-F262 AromaticContact CE1-CD2 3.79Å; F257-F262 HydrophobicContact CE1-CD2 3.79Å; F257-F262 HydrophobicContact CE1-CG 4.01Å; F257-F262 HydrophobicContact CZ-CD2 4.38Å; F257-F262 PolarHBondContact O-N 2.9Å; F257-F262 VanDerWaalsContact O-N 3.12Å; Y258-F262 HydrophobicContact CD1-CB 4.42Å; Y258-F262 CarbonylContact O-C 3.48Å; Y258-F262 VanDerWaalsContact O-CA 3.31Å; Y258-F262 WeakPolarHBondContact O-CA 3.31Å; Y258-F262 PolarHBondContact O-N 3.13Å; F262-G264 PolarHBondContact O-N 2.84Å; F262-E265 HydrophobicContact CD1-CB 4.12Å; F262-E265 WeakPolarHBondContact CD1-O 3.44Å; F262-E265 PolarHBondContact O-N 3.35Å; F262-E265 VanDerWaalsContact O-N 3.08Å; F262-F267 HydrophobicContact CD1-CD1 4.08Å; F262-F267 AromaticContact CD1-CE1 3.91Å; F262-F267 HydrophobicContact CD1-CE1 3.91Å; F262-F267 HydrophobicContact CD2-CE1 4.02Å; F262-F267 AromaticContact CE1-CD1 3.82Å; F262-F267 HydrophobicContact CE1-CD1 3.82Å; F262-F267 AromaticContact CE1-CE1 3.87Å; F262-F267 HydrophobicContact CE1-CE1 3.87Å; F262-F267 HydrophobicContact CE2-CE1 4Å; F262-F267 AromaticContact CG-CE1 3.98Å; F262-F267 HydrophobicContact CG-CE1 3.98Å; F262-F267 HydrophobicContact CZ-CD1 4.14Å; F262-F267 AromaticContact CZ-CE1 3.93Å; F262-F267 HydrophobicContact CZ-CE1 3.93Å
263K94.6Very high95.2Very high161 Ų16176.6 Ų76.670%0.739%0.39SS*.THydrogen-bonded Turntrans56.930.4175.3-59.5179.9177.2170.30114.4V167 Y258 E265V167-K263 HydrophobicContact CG1-CD 3.99Å; V167-K263 HydrophobicContact CG1-CG 4.03Å; Y258-K263 PolarHBondContact O-N 2.58Å; Y258-K263 VanDerWaalsContact O-N 3.14Å; K263-E265 PolarHBondContact O-N 2.65Å
264G94.7Very high95.4Very high44 Ų4472.3 Ų72.345%0.45436%0.364SS..THydrogen-bonded Turntrans74.42.9-178.500000114.5Y258 F262Y258-G264 WeakPolarHBondContact O-CA 3.43Å; Y258-G264 PolarHBondContact O-N 3.1Å; F262-G264 PolarHBondContact O-N 2.84Å
265E95.7Very high95.6Very high122 Ų12268.5 Ų68.557%0.5734%0.342SS*.PPolyproline II helixtrans-82.8137.3176.7-62.9-167.3164.200110.6Y258 F262 K263Y258-E265 WeakPolarHBondContact CD1-O 3.24Å; F262-E265 HydrophobicContact CD1-CB 4.12Å; F262-E265 WeakPolarHBondContact CD1-O 3.44Å; F262-E265 PolarHBondContact O-N 3.35Å; F262-E265 VanDerWaalsContact O-N 3.08Å; K263-E265 PolarHBondContact O-N 2.65Å
266S96.5Very high95.7Very high74 Ų7459.9 Ų59.952%0.51731%0.309SS..PPolyproline II helixtrans-84.4152.5171.257.20000111.1
267F97.6Very high95.8Very high15 Ų1559.9 Ų59.97%0.06631%0.309CS..PPolyproline II helixtrans-64.7143.4176.5-62.2-30.5000112.3V15 N162 F164 W202 L250 F257 Y258 F262 F269V15-F267 HydrophobicContact CG1-CD2 4.32Å; V15-F267 HydrophobicContact CG2-CD2 4.49Å; N162-F267 HydrophobicContact CB-CD1 4.1Å; N162-F267 VanDerWaalsContact OD1-CA 3.23Å; N162-F267 WeakPolarHBondContact OD1-CA 3.38Å; F164-F267 HydrophobicContact CE1-CE1 4.03Å; F164-F267 AromaticContact CE1-CZ 3.9Å; F164-F267 HydrophobicContact CE1-CZ 3.9Å; F164-F267 AromaticContact CZ-CE1 3.7Å; F164-F267 HydrophobicContact CZ-CE1 3.7Å; F164-F267 AromaticContact CZ-CZ 3.67Å; F164-F267 HydrophobicContact CZ-CZ 3.67Å; W202-F267 AromaticContact CH2-CE2 3.6Å; W202-F267 HydrophobicContact CH2-CE2 3.6Å; W202-F267 AromaticContact CH2-CZ 3.85Å; W202-F267 HydrophobicContact CH2-CZ 3.85Å; W202-F267 HydrophobicContact CZ2-CE2 4.15Å; W202-F267 AromaticContact CZ3-CE2 3.97Å; W202-F267 HydrophobicContact CZ3-CE2 3.97Å; W202-F267 AromaticContact CZ3-CZ 3.87Å; W202-F267 HydrophobicContact CZ3-CZ 3.87Å; L250-F267 HydrophobicContact CD2-CE2 4.47Å; F257-F267 HydrophobicContact CD1-CE1 4.33Å; F257-F267 AromaticContact CD1-CZ 3.79Å; F257-F267 HydrophobicContact CD1-CZ 3.79Å; F257-F267 AromaticContact CE1-CE1 3.83Å; F257-F267 HydrophobicContact CE1-CE1 3.83Å; F257-F267 AromaticContact CE1-CZ 3.47Å; F257-F267 HydrophobicContact CE1-CZ 3.47Å; F257-F267 VanDerWaalsContact CE1-CZ 3.47Å; F257-F267 HydrophobicContact CZ-CZ 4.31Å; Y258-F267 HydrophobicContact CD1-CD1 4.47Å; Y258-F267 HydrophobicContact CD1-CE1 4.34Å; Y258-F267 HydrophobicContact CD1-CZ 4.49Å; Y258-F267 HydrophobicContact CE1-CB 4.35Å; Y258-F267 AromaticContact CE1-CD1 3.74Å; Y258-F267 HydrophobicContact CE1-CD1 3.74Å; Y258-F267 AromaticContact CE1-CD2 3.65Å; Y258-F267 HydrophobicContact CE1-CD2 3.65Å; Y258-F267 AromaticContact CE1-CE1 3.84Å; Y258-F267 HydrophobicContact CE1-CE1 3.84Å; Y258-F267 AromaticContact CE1-CE2 3.75Å; Y258-F267 HydrophobicContact CE1-CE2 3.75Å; Y258-F267 AromaticContact CE1-CG 3.64Å; Y258-F267 HydrophobicContact CE1-CG 3.64Å; Y258-F267 AromaticContact CE1-CZ 3.84Å; Y258-F267 HydrophobicContact CE1-CZ 3.84Å; Y258-F267 WeakPolarHBondContact OH-CD2 3.39Å; F262-F267 HydrophobicContact CD1-CD1 4.08Å; F262-F267 AromaticContact CD1-CE1 3.91Å; F262-F267 HydrophobicContact CD1-CE1 3.91Å; F262-F267 HydrophobicContact CD2-CE1 4.02Å; F262-F267 AromaticContact CE1-CD1 3.82Å; F262-F267 HydrophobicContact CE1-CD1 3.82Å; F262-F267 AromaticContact CE1-CE1 3.87Å; F262-F267 HydrophobicContact CE1-CE1 3.87Å; F262-F267 HydrophobicContact CE2-CE1 4Å; F262-F267 AromaticContact CG-CE1 3.98Å; F262-F267 HydrophobicContact CG-CE1 3.98Å; F262-F267 HydrophobicContact CZ-CD1 4.14Å; F262-F267 AromaticContact CZ-CE1 3.93Å; F262-F267 HydrophobicContact CZ-CE1 3.93Å; F267-F269 HydrophobicContact CB-CE2 3.74Å; F267-F269 HydrophobicContact CB-CZ 4.13Å
268R96.6Very high95.8Very high171 Ų17159.5 Ų59.565%0.64531%0.307SS*.  trans-111.1146.8172.4-61.4-178.8-173.7176.23.9109.8E161 N162E161-R268 HydrophobicContact CB-CB 4.1Å; N162-R268 PolarHBondContact ND2-O 2.85Å; N162-R268 PolarHBondContact OD1-N 3.22Å
269F95.7Very high95.7Very high73 Ų7361.1 Ų61.132%0.3232%0.315SS..  trans-128.5126.8-179.5-66.2-92.4000109.1V15 I158 F267 R271V15-F269 HydrophobicContact CG1-CZ 3.94Å; V15-F269 HydrophobicContact CG2-CE2 3.76Å; V15-F269 HydrophobicContact CG2-CZ 4.04Å; I158-F269 HydrophobicContact CB-CE1 4.39Å; I158-F269 HydrophobicContact CG1-CE1 3.73Å; I158-F269 HydrophobicContact CG1-CZ 4.17Å; F267-F269 HydrophobicContact CB-CE2 3.74Å; F267-F269 HydrophobicContact CB-CZ 4.13Å; F269-R271 VanDerWaalsContact C-N 3.26Å
270Q90.5Very high95.6Very high80 Ų8059.9 Ų59.937%0.37431%0.309SS..SBendtrans-72.2-24.2175.1-165.7-168.560.100111.8L160 E161L160-Q270 HydrophobicContact CD1-CB 4.3Å; E161-Q270 HydrophobicContact CG-CB 4.22Å
271R93.5Very high95.6Very high78 Ų7855.6 Ų55.629%0.29428%0.283SS..SBendtrans-158157.5-170.660.6-172.662.8-147-4.5112.2L160 F269 Y276L160-R271 HydrophobicContact CD1-CG 4.33Å; F269-R271 VanDerWaalsContact C-N 3.26Å; R271-Y276 VanDerWaalsContact NH1-CE2 3.31Å
272P96.2Very high95.6Very high117 Ų11754 Ų5476%0.7627%0.272SS*.  trans-68.6162.5163.831.2-35.3000111.3
273Y98.2Very high95.5Very high28 Ų2853.6 Ų53.611%0.1127%0.27CS..SBendtrans-68.3137.1175.7-57.8-61.2000112D18 I19 Y22 E153 C157D18-Y273 HydrophobicContact CB-CE2 3.99Å; I19-Y273 HydrophobicContact CG1-CE2 3.97Å; I19-Y273 WeakPolarHBondContact CG1-OH 3.37Å; Y22-Y273 HydrophobicContact CD1-CG 4.34Å; Y22-Y273 HydrophobicContact CD2-CG 4.32Å; Y22-Y273 HydrophobicContact CG-CD2 4.15Å; Y22-Y273 HydrophobicContact CG-CG 4.06Å; E153-Y273 HydrophobicContact CG-CD1 4.18Å; C157-Y273 HydrophobicContact CB-CD1 3.82Å; C157-Y273 HydrophobicContact CB-CE1 3.76Å
274G97.5Very high95.5Very high11 Ų1145.9 Ų45.911%0.11324%0.237CC..SBendtrans-149.5-112.7174.300000111.3Y22 E153Y22-G274 WeakPolarHBondContact CE2-O 3Å; Y22-G274 PolarHBondContact OH-O 3.06Å; E153-G274 VanDerWaalsContact CD-C 3.45Å; E153-G274 WeakPolarHBondContact CG-O 3.27Å; E153-G274 WeakPolarHBondContact OE1-CA 3.49Å; E153-G274 PolarHBondContact OE1-N 3.26Å
275S97.6Very high95.4Very high13 Ų1344.2 Ų44.29%0.09122%0.217CC..SBendtrans-138.516.117553.10000113.4S30 E153 V277 M278 E279S30-S275 WeakPolarHBondContact CB-OG 3.48Å; E153-S275 PolarHBondContact OE1-N 2.86Å; E153-S275 VanDerWaalsContact OE2-C 3.23Å; S275-V277 VanDerWaalsContact C-N 3.34Å; S275-V277 PolarHBondContact O-N 3.09Å; S275-M278 PolarHBondContact O-N 2.9Å; S275-E279 VanDerWaalsContact O-CG 3.27Å; S275-E279 WeakPolarHBondContact O-CG 3.44Å; S275-E279 PolarHBondContact O-N 3.42Å; S275-E279 PolarHBondContact OG-OE1 2.81Å
276Y95.6Very high95.2Very high32 Ų3240.1 Ų40.113%0.12520%0.202CC..Hα-helixtrans-59.5-41.7-172.1169.2-108.8000113W105 E153 L160 R271 E279 N280 R401W105-Y276 HydrophobicContact CH2-CD1 4.11Å; W105-Y276 AromaticContact CH2-CE1 3.6Å; W105-Y276 HydrophobicContact CH2-CE1 3.6Å; W105-Y276 HydrophobicContact CZ2-CD1 4.18Å; W105-Y276 AromaticContact CZ2-CE1 3.73Å; W105-Y276 HydrophobicContact CZ2-CE1 3.73Å; E153-Y276 PolarHBondContact OE1-N 3.27Å; E153-Y276 PolarHBondContact OE2-N 3.05Å; L160-Y276 HydrophobicContact CD1-CE1 4.43Å; R271-Y276 VanDerWaalsContact NH1-CE2 3.31Å; Y276-E279 PolarHBondContact O-N 3.12Å; Y276-N280 WeakPolarHBondContact CD2-ND2 3.22Å; Y276-N280 HydrophobicContact CE2-CB 4.44Å; Y276-N280 WeakPolarHBondContact CE2-ND2 3.42Å; Y276-N280 PolarHBondContact O-N 2.8Å; Y276-N280 VanDerWaalsContact O-N 3.14Å; Y276-N280 PolarHBondContact O-ND2 2.98Å; Y276-R401 PolarHBondContact OH-NE 3.36Å; Y276-R401 PolarHBondContact OH-NH2 3.08Å
277V95.7Very high95Very high0 Ų037.7 Ų37.70%018%0.182CC..Hα-helixtrans-65.9-47.8-174.8178.90000110W105 H152 E153 S275 E279 N280 V281W105-V277 HydrophobicContact CD2-CG1 3.75Å; W105-V277 HydrophobicContact CE3-CG1 3.98Å; W105-V277 HydrophobicContact CG-CG1 4.17Å; W105-V277 HydrophobicContact CH2-CB 4.49Å; W105-V277 HydrophobicContact CH2-CG1 4.38Å; W105-V277 HydrophobicContact CH2-CG2 4.47Å; W105-V277 HydrophobicContact CZ2-CB 4.32Å; W105-V277 HydrophobicContact CZ2-CG1 4.16Å; W105-V277 HydrophobicContact CZ2-CG2 3.9Å; W105-V277 HydrophobicContact CZ3-CG1 4.3Å; H152-V277 HydrophobicContact CB-CG1 4.23Å; H152-V277 WeakPolarHBondContact O-CG1 3.5Å; E153-V277 WeakPolarHBondContact OE2-CB 3.3Å; E153-V277 WeakPolarHBondContact OE2-CG2 3.22Å; E153-V277 PolarHBondContact OE2-N 3.2Å; S275-V277 VanDerWaalsContact C-N 3.34Å; S275-V277 PolarHBondContact O-N 3.09Å; V277-E279 VanDerWaalsContact C-N 3.3Å; V277-E279 PolarHBondContact O-N 3.33Å; V277-N280 CarbonylContact O-C 3.58Å; V277-N280 PolarHBondContact O-N 3.09Å; V277-V281 WeakPolarHBondContact O-CB 3.49Å; V277-V281 PolarHBondContact O-N 2.62Å
278M97.1Very high94.8Very high0 Ų037.1 Ų37.10%018%0.18CC..Hα-helixtrans-63.7-37.4178.2-175.264.275.400111.7A33 T36 A37 C40 M148 I149 H152 S275 N280 V281A33-M278 HydrophobicContact CB-CB 4.44Å; A33-M278 HydrophobicContact CB-CG 4.42Å; A33-M278 WeakPolarHBondContact O-CG 3.3Å; T36-M278 WeakPolarHBondContact CB-O 3.45Å; T36-M278 HydrophobicContact CG2-CG 4.37Å; T36-M278 WeakPolarHBondContact CG2-O 3.45Å; T36-M278 HydrophobicContact CG2-SD 4.1Å; A37-M278 HydrophobicContact CB-CE 3.81Å; A37-M278 HydrophobicContact CB-CG 4.13Å; A37-M278 HydrophobicContact CB-SD 3.99Å; C40-M278 HydrophobicContact CB-SD 4.39Å; M148-M278 HydrophobicContact CB-CE 4.12Å; I149-M278 HydrophobicContact CG1-CB 4.35Å; I149-M278 HydrophobicContact CG1-CE 4.18Å; I149-M278 HydrophobicContact CG1-CG 4.01Å; I149-M278 HydrophobicContact CG2-CB 4.26Å; H152-M278 HydrophobicContact CB-CE 4Å; H152-M278 WeakPolarHBondContact CD2-CE 3.29Å; S275-M278 PolarHBondContact O-N 2.9Å; M278-N280 PolarHBondContact O-N 3.05Å; M278-V281 WeakPolarHBondContact O-CG1 3.33Å; M278-V281 HydrophobicContact SD-CG1 4.19Å
279E95.3Very high94.4Very high53 Ų5329 Ų2925%0.24815%0.149CC..Hα-helixtrans-62.7-33178-70.4163.4-171.700112.5S30 V32 A33 S275 Y276 V277 R432S30-E279 WeakPolarHBondContact CB-OE1 3.28Å; S30-E279 PolarHBondContact OG-OE1 2.62Å; V32-E279 HydrophobicContact CB-CG 4.18Å; V32-E279 HydrophobicContact CG1-CB 4.23Å; V32-E279 HydrophobicContact CG1-CG 4.02Å; A33-E279 HydrophobicContact CB-CG 4.05Å; S275-E279 VanDerWaalsContact O-CG 3.27Å; S275-E279 WeakPolarHBondContact O-CG 3.44Å; S275-E279 PolarHBondContact O-N 3.42Å; S275-E279 PolarHBondContact OG-OE1 2.81Å; Y276-E279 PolarHBondContact O-N 3.12Å; V277-E279 VanDerWaalsContact C-N 3.3Å; V277-E279 PolarHBondContact O-N 3.33Å; E279-R432 PolarHBondContact O-NH2 3.41Å
280N93.3Very high94.1Very high52 Ų5226.1 Ų26.128%0.27814%0.137SC..Hα-helixtrans-110.41-172-66.2-83.7000114.1W105 Y276 V277 M278W105-N280 HydrophobicContact CH2-CB 3.96Å; W105-N280 HydrophobicContact CZ3-CB 3.78Å; Y276-N280 WeakPolarHBondContact CD2-ND2 3.22Å; Y276-N280 HydrophobicContact CE2-CB 4.44Å; Y276-N280 WeakPolarHBondContact CE2-ND2 3.42Å; Y276-N280 PolarHBondContact O-N 2.8Å; Y276-N280 VanDerWaalsContact O-N 3.14Å; Y276-N280 PolarHBondContact O-ND2 2.98Å; V277-N280 CarbonylContact O-C 3.58Å; V277-N280 PolarHBondContact O-N 3.09Å; M278-N280 PolarHBondContact O-N 3.05Å
281V94.9Very high94Very high0 Ų022.4 Ų22.40%012%0.119CC..  trans-58147.9179.876.50000110.8T36 D103 T104 V277 M278 F283 R432T36-V281 HydrophobicContact CG2-CG1 3.63Å; D103-V281 HydrophobicContact CB-CG2 3.94Å; T104-V281 VanDerWaalsContact O-CG2 3.28Å; T104-V281 WeakPolarHBondContact O-CG2 3.27Å; V277-V281 WeakPolarHBondContact O-CB 3.49Å; V277-V281 PolarHBondContact O-N 2.62Å; M278-V281 WeakPolarHBondContact O-CG1 3.33Å; M278-V281 HydrophobicContact SD-CG1 4.19Å; V281-F283 HydrophobicContact CG1-CE1 4.39Å; V281-F283 HydrophobicContact CG1-CZ 4.25Å; V281-R432 PolarHBondContact O-NH2 3.22Å
282L94.3Very high94Very high1 Ų118.7 Ų18.71%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-104.8142.2-177.6-48103.9000110D103 T104 L106 F291 H428D103-L282 CarbonylContact C-O 3.28Å; D103-L282 VanDerWaalsContact CA-O 3.26Å; D103-L282 WeakPolarHBondContact CA-O 3.37Å; T104-L282 HydrophobicContact CG2-CB 4.05Å; T104-L282 HydrophobicContact CG2-CD1 4.33Å; T104-L282 PolarHBondContact N-O 2.93Å; T104-L282 WeakPolarHBondContact O-CD1 3.27Å; T104-L282 PolarHBondContact O-N 3.48Å; T104-L282 VanDerWaalsContact O-N 3.12Å; L106-L282 HydrophobicContact CD1-CD1 4.29Å; L106-L282 HydrophobicContact CD1-CD2 4.41Å; L106-L282 HydrophobicContact CG-CD1 3.9Å; L282-F291 HydrophobicContact CB-CE1 3.82Å; L282-F291 HydrophobicContact CB-CE2 4.39Å; L282-F291 HydrophobicContact CB-CZ 3.45Å; L282-F291 VanDerWaalsContact CB-CZ 3.45Å; L282-F291 HydrophobicContact CD1-CE1 4.31Å; L282-F291 HydrophobicContact CD2-CE1 3.81Å; L282-F291 HydrophobicContact CD2-CZ 4.05Å; L282-F291 HydrophobicContact CG-CE1 4.18Å; L282-F291 HydrophobicContact CG-CZ 4.26Å; L282-H428 HydrophobicContact CD2-CB 4.3Å; L282-H428 WeakPolarHBondContact CD2-CD2 3.41Å
283F95.4Very high93.9Very high0 Ų013.1 Ų13.10%07%0.069CC..EExtended strand (participates in β ladder)trans-104.1137.8177.7-64.4-60.7000111.7T36 C40 D103 V281 I285 G427 I436 L439T36-F283 HydrophobicContact CG2-CE2 3.98Å; T36-F283 HydrophobicContact CG2-CZ 3.68Å; C40-F283 HydrophobicContact CB-CE1 3.65Å; C40-F283 HydrophobicContact CB-CZ 3.99Å; D103-F283 HydrophobicContact CB-CD1 4.33Å; V281-F283 HydrophobicContact CG1-CE1 4.39Å; V281-F283 HydrophobicContact CG1-CZ 4.25Å; F283-I285 HydrophobicContact CB-CD1 3.8Å; F283-I285 HydrophobicContact CB-CG1 3.59Å; F283-G427 PolarHBondContact N-O 3.09Å; F283-G427 VanDerWaalsContact N-O 3.1Å; F283-G427 WeakPolarHBondContact O-CA 3.14Å; F283-I436 HydrophobicContact CE2-CD1 4.45Å; F283-L439 HydrophobicContact CB-CD1 4.27Å; F283-L439 HydrophobicContact CD1-CD1 4.06Å; F283-L439 HydrophobicContact CD2-CD1 4.02Å; F283-L439 HydrophobicContact CE1-CD1 4.43Å; F283-L439 HydrophobicContact CE2-CD1 4.36Å; F283-L439 HydrophobicContact CG-CD1 3.85Å
284K93.7Very high93.7Very high0 Ų012 Ų120%07%0.065CC..  trans-93.392.6169.7-59.8-179.5179-160.70108.8D100 F101 N102 A289 F291 K442D100-K284 VanDerWaalsContact CG-NZ 3.32Å; D100-K284 WeakPolarHBondContact O-CD 3.42Å; D100-K284 PolarHBondContact O-NZ 3.37Å; D100-K284 IonicContact OD1-NZ 3.57Å; D100-K284 PolarHBondContact OD1-NZ 3.39Å; D100-K284 IonicContact OD2-NZ 2.68Å; F101-K284 HydrophobicContact CD2-CB 3.86Å; F101-K284 VanDerWaalsContact CD2-O 3.27Å; F101-K284 WeakPolarHBondContact CD2-O 3.46Å; F101-K284 HydrophobicContact CE2-CB 4.37Å; F101-K284 VanDerWaalsContact CE2-O 3.23Å; F101-K284 WeakPolarHBondContact CE2-O 3.1Å; N102-K284 WeakPolarHBondContact O-CA 3.22Å; N102-K284 WeakPolarHBondContact O-CB 3.23Å; N102-K284 WeakPolarHBondContact O-CG 2.87Å; N102-K284 PolarHBondContact O-N 2.87Å; K284-A289 PolarHBondContact NZ-O 3.45Å; K284-F291 HydrophobicContact CD-CD2 4.02Å; K284-F291 HydrophobicContact CG-CD2 3.45Å; K284-F291 VanDerWaalsContact CG-CD2 3.45Å; K284-F291 HydrophobicContact CG-CE2 3.6Å; K284-K442 PolarHBondContact O-NZ 2.84Å
285I92.9Very high93.7Very high8 Ų811.4 Ų11.44%0.0416%0.059CC..  trans-100.4-49.9-169.8-55.2174.1000110.9F101 F283 I426 G435 K438 L439F101-I285 WeakPolarHBondContact CE2-O 3.49Å; F101-I285 VanDerWaalsContact CZ-O 3.24Å; F101-I285 WeakPolarHBondContact CZ-O 3.45Å; F283-I285 HydrophobicContact CB-CD1 3.8Å; F283-I285 HydrophobicContact CB-CG1 3.59Å; I285-I426 HydrophobicContact CB-CG2 4.41Å; I285-I426 HydrophobicContact CD1-CG2 4.3Å; I285-G435 WeakPolarHBondContact CD1-O 3.16Å; I285-K438 HydrophobicContact CG2-CB 3.54Å; I285-L439 HydrophobicContact CD1-CB 4.08Å; I285-L439 HydrophobicContact CD1-CD1 4.41Å; I285-L439 HydrophobicContact CG1-CB 4.25Å; I285-L439 HydrophobicContact CG1-CD1 4.49Å; I285-L439 HydrophobicContact CG2-CB 4.22Å
286S90.5Very high93.7Very high36 Ų3610.8 Ų10.825%0.2526%0.055SC..SBendtrans-83.9-38.9-168-57.50000113.4
287F93.4Very high93.8Very high23 Ų239.3 Ų9.310%0.1015%0.049CC..  trans-135.8132-169.5-47.7-64.4000112.2F101 A289 Q294 V297 E298 M301 L361F101-F287 VanDerWaalsContact CD2-C 3.48Å; F101-F287 VanDerWaalsContact CD2-O 3.23Å; F101-F287 WeakPolarHBondContact CD2-O 3.38Å; F101-F287 WeakPolarHBondContact CE2-O 3.2Å; F287-A289 HydrophobicContact CB-CB 4.18Å; F287-A289 PolarHBondContact O-N 3.28Å; F287-Q294 PolarHBondContact O-NE2 2.75Å; F287-V297 HydrophobicContact CB-CG1 4.23Å; F287-V297 HydrophobicContact CD1-CG1 3.6Å; F287-V297 HydrophobicContact CD2-CB 3.83Å; F287-V297 HydrophobicContact CD2-CG1 3.55Å; F287-V297 HydrophobicContact CE1-CG1 3.75Å; F287-V297 HydrophobicContact CE2-CB 4.06Å; F287-V297 HydrophobicContact CE2-CG1 3.7Å; F287-V297 HydrophobicContact CG-CB 4.18Å; F287-V297 HydrophobicContact CG-CG1 3.5Å; F287-V297 HydrophobicContact CZ-CG1 3.8Å; F287-E298 HydrophobicContact CE2-CB 4.25Å; F287-M301 HydrophobicContact CE1-CG 4.05Å; F287-M301 HydrophobicContact CZ-CG 3.9Å; F287-L361 HydrophobicContact CB-CD2 4.22Å; F287-L361 HydrophobicContact CD1-CB 4.12Å
288P91.9Very high93.8Very high3 Ų310.8 Ų10.82%0.0196%0.056CC..  trans-76.670.8173.429.2-29.3000109.4F101 A363 Y366F101-P288 HydrophobicContact CB-CB 3.87Å; F101-P288 HydrophobicContact CD1-CB 3.64Å; F101-P288 HydrophobicContact CD1-CG 4.33Å; F101-P288 VanDerWaalsContact CD2-CA 3.43Å; F101-P288 HydrophobicContact CD2-CB 4Å; F101-P288 HydrophobicContact CE1-CB 4.06Å; F101-P288 HydrophobicContact CE1-CG 4.29Å; F101-P288 HydrophobicContact CE2-CB 4.43Å; F101-P288 HydrophobicContact CG-CB 3.58Å; F101-P288 HydrophobicContact CZ-CB 4.44Å; P288-A363 HydrophobicContact CB-CB 4Å; P288-A363 HydrophobicContact CG-CB 3.86Å; P288-Y366 HydrophobicContact CG-CE2 4.39Å; P288-Y366 WeakPolarHBondContact O-CE2 3.39Å; P288-Y366 VanDerWaalsContact O-CZ 3.29Å; P288-Y366 PolarHBondContact O-OH 3.13Å
289A90.1Very high93.9Very high0 Ų010.8 Ų10.80%06%0.056CC..SBendtrans-134.1148-171.300000110.1K284 F287 F291 S293 Q294 D345 M351 L361K284-A289 PolarHBondContact NZ-O 3.45Å; F287-A289 HydrophobicContact CB-CB 4.18Å; F287-A289 PolarHBondContact O-N 3.28Å; A289-F291 PolarHBondContact O-N 2.87Å; A289-S293 WeakPolarHBondContact CB-OG 3.39Å; A289-Q294 PolarHBondContact O-NE2 2.88Å; A289-D345 WeakPolarHBondContact CA-OD1 3.43Å; A289-M351 HydrophobicContact CB-SD 3.62Å; A289-L361 HydrophobicContact CB-CD2 4.12Å
290E87.7Confident94Very high14 Ų148.3 Ų8.37%0.0654%0.044CC..  trans-50136.2168-162.6-63.7128.800109.6H292 S293 I332 D345 H346 M351E290-H292 VanDerWaalsContact C-N 3.29Å; E290-H292 PolarHBondContact O-N 2.92Å; E290-H292 IonicContact OE1-CE1 2.74Å; E290-H292 PolarHBondContact OE1-CE1 3.45Å; E290-H292 IonicContact OE1-CG 2.72Å; E290-H292 IonicContact OE1-ND1 3.58Å; E290-H292 PolarHBondContact OE1-ND1 3.36Å; E290-H292 VanDerWaalsContact OE2-CB 3.24Å; E290-H292 WeakPolarHBondContact OE2-CB 3.3Å; E290-H292 IonicContact OE2-CG 3.73Å; E290-H292 PolarHBondContact OE2-N 3.49Å; E290-H292 IonicContact OE2-ND1 2.64Å; E290-H292 PolarHBondContact OE2-ND1 3.22Å; E290-S293 WeakPolarHBondContact O-CB 3.47Å; E290-S293 PolarHBondContact O-N 3.46Å; E290-S293 PolarHBondContact O-OG 2.99Å; E290-I332 HydrophobicContact CB-CG2 4.15Å; E290-I332 HydrophobicContact CG-CG2 3.78Å; E290-D345 WeakPolarHBondContact CB-O 3.19Å; E290-D345 PolarHBondContact N-OD1 2.86Å; E290-H346 WeakPolarHBondContact CG-CE1 3.48Å; E290-M351 HydrophobicContact CB-CE 4.24Å; E290-M351 HydrophobicContact CB-SD 4.49Å
291F89.9Confident94.2Very high1 Ų17.9 Ų7.90%0.0044%0.041CC..G310 helixtrans-68-28.8-158.1-157.1-116.2000114.2T104 L106 L282 K284 A289 S293 Q294 I403 P425T104-F291 HydrophobicContact CG2-CB 4.02Å; T104-F291 HydrophobicContact CG2-CD1 3.29Å; T104-F291 HydrophobicContact CG2-CD2 3.48Å; T104-F291 VanDerWaalsContact CG2-CD2 3.48Å; T104-F291 HydrophobicContact CG2-CE1 3.41Å; T104-F291 VanDerWaalsContact CG2-CE1 3.41Å; T104-F291 HydrophobicContact CG2-CE2 3.6Å; T104-F291 HydrophobicContact CG2-CG 3.33Å; T104-F291 HydrophobicContact CG2-CZ 3.59Å; L106-F291 HydrophobicContact CD2-CD1 4Å; L282-F291 HydrophobicContact CB-CE1 3.82Å; L282-F291 HydrophobicContact CB-CE2 4.39Å; L282-F291 HydrophobicContact CB-CZ 3.45Å; L282-F291 VanDerWaalsContact CB-CZ 3.45Å; L282-F291 HydrophobicContact CD1-CE1 4.31Å; L282-F291 HydrophobicContact CD2-CE1 3.81Å; L282-F291 HydrophobicContact CD2-CZ 4.05Å; L282-F291 HydrophobicContact CG-CE1 4.18Å; L282-F291 HydrophobicContact CG-CZ 4.26Å; K284-F291 HydrophobicContact CD-CD2 4.02Å; K284-F291 HydrophobicContact CG-CD2 3.45Å; K284-F291 VanDerWaalsContact CG-CD2 3.45Å; K284-F291 HydrophobicContact CG-CE2 3.6Å; A289-F291 PolarHBondContact O-N 2.87Å; F291-S293 PolarHBondContact O-N 2.83Å; F291-S293 VanDerWaalsContact O-N 3.17Å; F291-Q294 HydrophobicContact CD2-CG 3.59Å; F291-Q294 HydrophobicContact CE2-CG 3.96Å; F291-Q294 HydrophobicContact CG-CG 4.21Å; F291-Q294 WeakPolarHBondContact O-CG 3.14Å; F291-Q294 PolarHBondContact O-N 2.84Å; F291-I403 HydrophobicContact CD1-CD1 3.08Å; F291-I403 HydrophobicContact CE1-CD1 3.06Å; F291-I403 HydrophobicContact CG-CD1 4.19Å; F291-I403 HydrophobicContact CZ-CD1 4.15Å; F291-P425 HydrophobicContact CE1-CG 4.45Å; F291-P425 HydrophobicContact CZ-CG 4.07Å
292H91.8Very high94.4Very high1 Ų110.3 Ų10.31%0.0056%0.057CC..G310 helixtrans-68.1-13.8179.1-54.685.6000112.3W110 E290 H325 C328 I331 I332 Y395 N405W110-H292 AromaticContact CD2-CE1 3.89Å; E290-H292 VanDerWaalsContact C-N 3.29Å; E290-H292 PolarHBondContact O-N 2.92Å; E290-H292 IonicContact OE1-CE1 2.74Å; E290-H292 PolarHBondContact OE1-CE1 3.45Å; E290-H292 IonicContact OE1-CG 2.72Å; E290-H292 IonicContact OE1-ND1 3.58Å; E290-H292 PolarHBondContact OE1-ND1 3.36Å; E290-H292 VanDerWaalsContact OE2-CB 3.24Å; E290-H292 WeakPolarHBondContact OE2-CB 3.3Å; E290-H292 IonicContact OE2-CG 3.73Å; E290-H292 PolarHBondContact OE2-N 3.49Å; E290-H292 IonicContact OE2-ND1 2.64Å; E290-H292 PolarHBondContact OE2-ND1 3.22Å; H292-H325 AromaticContact CD2-NE2 3.41Å; H292-H325 PolarHBondContact CD2-NE2 3.15Å; H292-C328 HydrophobicContact CB-CB 4.15Å; H292-I331 WeakPolarHBondContact CE1-CD1 3.4Å; H292-I332 HydrophobicContact CB-CD1 3.91Å; H292-Y395 AromaticContact CD2-CE2 3.84Å; H292-Y395 AromaticContact NE2-CE2 3.88Å; H292-Y395 AromaticContact NE2-CZ 3.74Å; H292-Y395 PolarHBondContact NE2-OH 3.05Å; H292-Y395 VanDerWaalsContact NE2-OH 3.1Å; H292-N405 PolarHBondContact O-ND2 3.28Å
293S94.3Very high94.6Very high0 Ų010.3 Ų10.30%06%0.056CC..G310 helixtrans-94.6-12176.774.90000114.9A289 E290 F291 T295 A296 V297 M351A289-S293 WeakPolarHBondContact CB-OG 3.39Å; E290-S293 WeakPolarHBondContact O-CB 3.47Å; E290-S293 PolarHBondContact O-N 3.46Å; E290-S293 PolarHBondContact O-OG 2.99Å; F291-S293 PolarHBondContact O-N 2.83Å; F291-S293 VanDerWaalsContact O-N 3.17Å; S293-T295 VanDerWaalsContact C-N 3.3Å; S293-T295 PolarHBondContact O-N 2.59Å; S293-T295 VanDerWaalsContact O-N 3.15Å; S293-A296 WeakPolarHBondContact O-CA 3.35Å; S293-A296 VanDerWaalsContact O-CB 3.31Å; S293-A296 WeakPolarHBondContact O-CB 3.25Å; S293-A296 PolarHBondContact O-N 2.86Å; S293-V297 WeakPolarHBondContact O-CG2 3.49Å; S293-V297 PolarHBondContact O-N 3.19Å; S293-M351 VanDerWaalsContact CB-CE 3.48Å; S293-M351 WeakPolarHBondContact OG-CE 3.38Å; S293-M351 PolarHBondContact OG-SD 2.83Å
294Q95Very high94.7Very high3 Ų312.9 Ų12.91%0.0147%0.066CC..Hα-helixtrans-54.2-43.9-168.3-71-77.8-31.500113.2F287 A289 F291 V297 E298 P425F287-Q294 PolarHBondContact O-NE2 2.75Å; A289-Q294 PolarHBondContact O-NE2 2.88Å; F291-Q294 HydrophobicContact CD2-CG 3.59Å; F291-Q294 HydrophobicContact CE2-CG 3.96Å; F291-Q294 HydrophobicContact CG-CG 4.21Å; F291-Q294 WeakPolarHBondContact O-CG 3.14Å; F291-Q294 PolarHBondContact O-N 2.84Å; Q294-V297 PolarHBondContact O-N 3.32Å; Q294-E298 PolarHBondContact O-N 3.41Å; Q294-P425 HydrophobicContact CB-CB 3.8Å; Q294-P425 HydrophobicContact CB-CG 4.39Å
295T96.8Very high94.9Very high0 Ų019.1 Ų19.10%010%0.096CC..Hα-helixtrans-74.8-28.6178.150.20000113S293 E298 A299 I403 N405 V422 P425S293-T295 VanDerWaalsContact C-N 3.3Å; S293-T295 PolarHBondContact O-N 2.59Å; S293-T295 VanDerWaalsContact O-N 3.15Å; T295-E298 PolarHBondContact O-N 2.96Å; T295-A299 WeakPolarHBondContact O-CB 3.47Å; T295-A299 PolarHBondContact O-N 3.07Å; T295-I403 VanDerWaalsContact CB-O 3.32Å; T295-I403 WeakPolarHBondContact CB-O 3.35Å; T295-I403 WeakPolarHBondContact CG2-O 3.36Å; T295-I403 PolarHBondContact OG1-O 3.19Å; T295-N405 PolarHBondContact OG1-ND2 3.24Å; T295-V422 WeakPolarHBondContact CB-O 3.32Å; T295-V422 HydrophobicContact CG2-CB 4.25Å; T295-V422 HydrophobicContact CG2-CG1 3.68Å; T295-P425 HydrophobicContact CG2-CB 3.79Å; T295-P425 HydrophobicContact CG2-CG 4.15Å
296A97.8Very high95.1Very high0 Ų022.2 Ų22.20%011%0.11CC..Hα-helixtrans-66.7-40.8171.100000110.9S293 A299 A300 I348 V352 N405 I407S293-A296 WeakPolarHBondContact O-CA 3.35Å; S293-A296 VanDerWaalsContact O-CB 3.31Å; S293-A296 WeakPolarHBondContact O-CB 3.25Å; S293-A296 PolarHBondContact O-N 2.86Å; A296-A299 PolarHBondContact O-N 3.01Å; A296-A300 VanDerWaalsContact O-CB 3.31Å; A296-A300 WeakPolarHBondContact O-CB 3.26Å; A296-A300 PolarHBondContact O-N 2.81Å; A296-I348 HydrophobicContact CB-CD1 3.85Å; A296-I348 HydrophobicContact CB-CG1 4.27Å; A296-V352 HydrophobicContact CB-CG2 3.86Å; A296-N405 HydrophobicContact CB-CB 3.82Å; A296-I407 HydrophobicContact CB-CD1 4.17Å; A296-I407 WeakPolarHBondContact O-CD1 3.47Å
297V97.5Very high95.5Very high0 Ų020.6 Ų20.60%010%0.099CC..Hα-helixtrans-65.1-42.1174.5-177.90000110.9F287 S293 Q294 A299 A300 M301 M351 P355 L361F287-V297 HydrophobicContact CB-CG1 4.23Å; F287-V297 HydrophobicContact CD1-CG1 3.6Å; F287-V297 HydrophobicContact CD2-CB 3.83Å; F287-V297 HydrophobicContact CD2-CG1 3.55Å; F287-V297 HydrophobicContact CE1-CG1 3.75Å; F287-V297 HydrophobicContact CE2-CB 4.06Å; F287-V297 HydrophobicContact CE2-CG1 3.7Å; F287-V297 HydrophobicContact CG-CB 4.18Å; F287-V297 HydrophobicContact CG-CG1 3.5Å; F287-V297 HydrophobicContact CZ-CG1 3.8Å; S293-V297 WeakPolarHBondContact O-CG2 3.49Å; S293-V297 PolarHBondContact O-N 3.19Å; Q294-V297 PolarHBondContact O-N 3.32Å; V297-A299 PolarHBondContact O-N 3.18Å; V297-A300 PolarHBondContact O-N 2.8Å; V297-M301 WeakPolarHBondContact O-CG 3.18Å; V297-M301 PolarHBondContact O-N 2.64Å; V297-M351 HydrophobicContact CG2-CB 4.1Å; V297-P355 HydrophobicContact CG1-CG 4.24Å; V297-L361 HydrophobicContact CB-CD2 4.4Å; V297-L361 HydrophobicContact CG1-CB 4.17Å; V297-L361 HydrophobicContact CG1-CD2 3.72Å; V297-L361 HydrophobicContact CG2-CD2 3.72Å
298E97.1Very high95.7Very high32 Ų3224.4 Ų24.415%0.1512%0.117CC..Hα-helixtrans-61.3-43.2175.4-170.3171.4161.500112.2F287 Q294 T295 M301 T302 V422 R431F287-E298 HydrophobicContact CE2-CB 4.25Å; Q294-E298 PolarHBondContact O-N 3.41Å; T295-E298 PolarHBondContact O-N 2.96Å; E298-M301 PolarHBondContact O-N 2.72Å; E298-T302 PolarHBondContact O-N 3.22Å; E298-T302 VanDerWaalsContact O-N 3.16Å; E298-T302 PolarHBondContact O-OG1 3.04Å; E298-T302 VanDerWaalsContact O-OG1 3.09Å; E298-V422 HydrophobicContact CB-CG1 4.4Å; E298-V422 HydrophobicContact CB-CG2 4.47Å; E298-V422 HydrophobicContact CG-CG1 4.35Å; E298-V422 HydrophobicContact CG-CG2 4.38Å; E298-R431 VanDerWaalsContact CD-NH1 3.31Å; E298-R431 IonicContact OE1-CZ 3.24Å; E298-R431 IonicContact OE1-NH1 3.66Å; E298-R431 PolarHBondContact OE1-NH1 3.49Å; E298-R431 IonicContact OE1-NH2 2.93Å; E298-R431 PolarHBondContact OE1-NH2 3.28Å; E298-R431 IonicContact OE2-NH1 2.97Å; E298-R431 PolarHBondContact OE2-NH1 3.01Å
299A98.1Very high95.9Very high0 Ų028.8 Ų28.80%015%0.153CC..Hα-helixtrans-63.2-41.9173.600000111.8T295 A296 V297 M301 T302 L303 I407 V420 V422T295-A299 WeakPolarHBondContact O-CB 3.47Å; T295-A299 PolarHBondContact O-N 3.07Å; A296-A299 PolarHBondContact O-N 3.01Å; V297-A299 PolarHBondContact O-N 3.18Å; A299-M301 PolarHBondContact O-N 2.9Å; A299-T302 WeakPolarHBondContact O-CB 3.27Å; A299-T302 PolarHBondContact O-N 3.2Å; A299-L303 WeakPolarHBondContact O-CB 3.31Å; A299-L303 WeakPolarHBondContact O-CG 3.47Å; A299-L303 PolarHBondContact O-N 3.28Å; A299-I407 HydrophobicContact CB-CB 4.29Å; A299-I407 HydrophobicContact CB-CD1 3.9Å; A299-I407 HydrophobicContact CB-CG1 3.91Å; A299-V420 HydrophobicContact CB-CB 4.29Å; A299-V420 HydrophobicContact CB-CG1 3.87Å; A299-V422 HydrophobicContact CB-CG2 4.09Å
300A98.3Very high96.2Very high0 Ų031.5 Ų31.50%018%0.175CC..Hα-helixtrans-64.4-37.617800000112.7A296 V297 L303 Y304 V352 P355 L356 I407A296-A300 VanDerWaalsContact O-CB 3.31Å; A296-A300 WeakPolarHBondContact O-CB 3.26Å; A296-A300 PolarHBondContact O-N 2.81Å; V297-A300 PolarHBondContact O-N 2.8Å; A300-L303 PolarHBondContact O-N 2.67Å; A300-Y304 WeakPolarHBondContact O-CB 3.25Å; A300-Y304 PolarHBondContact O-N 3.19Å; A300-V352 HydrophobicContact CB-CG1 4.13Å; A300-P355 HydrophobicContact CB-CB 4.22Å; A300-P355 HydrophobicContact CB-CG 3.67Å; A300-L356 HydrophobicContact CB-CD2 4.34Å; A300-L356 HydrophobicContact CB-CG 4.21Å; A300-I407 HydrophobicContact CB-CD1 4.26Å
301M97.6Very high96.6Very high43 Ų4334 Ų3421%0.21221%0.205CC..Hα-helixtrans-63.4-43.2173.5-72.1-67.3-64.300111.8F287 V297 E298 A299 L303 Y304 E305 P355 G359F287-M301 HydrophobicContact CE1-CG 4.05Å; F287-M301 HydrophobicContact CZ-CG 3.9Å; V297-M301 WeakPolarHBondContact O-CG 3.18Å; V297-M301 PolarHBondContact O-N 2.64Å; E298-M301 PolarHBondContact O-N 2.72Å; A299-M301 PolarHBondContact O-N 2.9Å; M301-L303 VanDerWaalsContact C-N 3.34Å; M301-L303 PolarHBondContact O-N 2.95Å; M301-Y304 WeakPolarHBondContact O-CB 3.09Å; M301-Y304 PolarHBondContact O-N 3.28Å; M301-E305 PolarHBondContact O-N 3.44Å; M301-P355 HydrophobicContact CG-CB 4.09Å; M301-P355 HydrophobicContact SD-CB 3.62Å; M301-G359 WeakPolarHBondContact CE-O 3.18Å
302T97.9Very high97Very high52 Ų5235.2 Ų35.232%0.31921%0.21SC..Hα-helixtrans-61.7-44.4175.5-55.70000111.2E298 A299 E305 Q306 V420E298-T302 PolarHBondContact O-N 3.22Å; E298-T302 VanDerWaalsContact O-N 3.16Å; E298-T302 PolarHBondContact O-OG1 3.04Å; E298-T302 VanDerWaalsContact O-OG1 3.09Å; A299-T302 WeakPolarHBondContact O-CB 3.27Å; A299-T302 PolarHBondContact O-N 3.2Å; T302-E305 PolarHBondContact O-N 3.45Å; T302-Q306 WeakPolarHBondContact O-CG 3.32Å; T302-Q306 PolarHBondContact O-N 2.89Å; T302-Q306 VanDerWaalsContact O-N 3.12Å; T302-V420 HydrophobicContact CG2-CG1 4.23Å; T302-V420 HydrophobicContact CG2-CG2 4.33Å
303L98.4Very high97.2Very high0 Ų038.4 Ų38.40%023%0.23CC..Hα-helixtrans-65.7-36.2177.6-76166.8000112.6A299 A300 M301 Q306 M307 L356 I407 L409 F417 V420A299-L303 WeakPolarHBondContact O-CB 3.31Å; A299-L303 WeakPolarHBondContact O-CG 3.47Å; A299-L303 PolarHBondContact O-N 3.28Å; A300-L303 PolarHBondContact O-N 2.67Å; M301-L303 VanDerWaalsContact C-N 3.34Å; M301-L303 PolarHBondContact O-N 2.95Å; L303-Q306 PolarHBondContact O-N 3.5Å; L303-M307 WeakPolarHBondContact O-CB 3.32Å; L303-M307 VanDerWaalsContact O-CG 3.29Å; L303-M307 WeakPolarHBondContact O-CG 3.23Å; L303-M307 PolarHBondContact O-N 2.82Å; L303-L356 HydrophobicContact CB-CD2 4.05Å; L303-I407 HydrophobicContact CD1-CB 3.6Å; L303-I407 HydrophobicContact CD1-CG2 3.35Å; L303-L409 HydrophobicContact CB-CD1 3.89Å; L303-L409 HydrophobicContact CB-CG 4.49Å; L303-L409 HydrophobicContact CD1-CD1 4.23Å; L303-L409 HydrophobicContact CD1-CD2 4.32Å; L303-L409 HydrophobicContact CD1-CG 3.93Å; L303-L409 HydrophobicContact CD2-CD1 4.06Å; L303-L409 HydrophobicContact CD2-CG 4.06Å; L303-L409 HydrophobicContact CG-CD1 4.29Å; L303-L409 HydrophobicContact CG-CG 4.39Å; L303-F417 HydrophobicContact CD2-CB 4.37Å; L303-F417 HydrophobicContact CD2-CD2 4.07Å; L303-V420 HydrophobicContact CD2-CG2 3.79Å; L303-V420 HydrophobicContact CG-CB 4.38Å; L303-V420 HydrophobicContact CG-CG2 3.92Å
304Y98.2Very high97.3Very high54 Ų5439 Ų3921%0.21224%0.235CC..Hα-helixtrans-60-45.9173.7176.8-94.6000111.4A300 M301 Q306 M307 Q308 P355 L356 G359A300-Y304 WeakPolarHBondContact O-CB 3.25Å; A300-Y304 PolarHBondContact O-N 3.19Å; M301-Y304 WeakPolarHBondContact O-CB 3.09Å; M301-Y304 PolarHBondContact O-N 3.28Å; Y304-Q306 VanDerWaalsContact C-N 3.35Å; Y304-Q306 PolarHBondContact O-N 3.28Å; Y304-M307 WeakPolarHBondContact O-CB 3.34Å; Y304-M307 PolarHBondContact O-N 3.49Å; Y304-Q308 HydrophobicContact CD1-CG 4.23Å; Y304-Q308 HydrophobicContact CE1-CG 3.8Å; Y304-Q308 HydrophobicContact CE2-CG 4.47Å; Y304-Q308 WeakPolarHBondContact O-CG 3.16Å; Y304-Q308 PolarHBondContact O-N 2.81Å; Y304-P355 VanDerWaalsContact CD2-O 3.24Å; Y304-P355 WeakPolarHBondContact CD2-O 3.17Å; Y304-L356 WeakPolarHBondContact CD2-O 3.47Å; Y304-G359 VanDerWaalsContact CD1-CA 3.48Å
305E97.8Very high97.3Very high132 Ų13242.5 Ų42.562%0.61726%0.264SS*.Hα-helixtrans-61-42.5176-68.7178.7-179.900112M301 T302 M307 Q308 A309M301-E305 PolarHBondContact O-N 3.44Å; T302-E305 PolarHBondContact O-N 3.45Å; E305-M307 VanDerWaalsContact C-N 3.34Å; E305-M307 PolarHBondContact O-N 2.79Å; E305-Q308 PolarHBondContact O-N 2.73Å; E305-A309 PolarHBondContact O-N 2.94Å
306Q98.1Very high97.4Very high73 Ų7345.1 Ų45.134%0.34128%0.278SS..Hα-helixtrans-63.2-39.6175.1-68178.114.800112.2T302 L303 Y304 A309 A310 F417T302-Q306 WeakPolarHBondContact O-CG 3.32Å; T302-Q306 PolarHBondContact O-N 2.89Å; T302-Q306 VanDerWaalsContact O-N 3.12Å; L303-Q306 PolarHBondContact O-N 3.5Å; Y304-Q306 VanDerWaalsContact C-N 3.35Å; Y304-Q306 PolarHBondContact O-N 3.28Å; Q306-A309 PolarHBondContact O-N 3.35Å; Q306-A310 WeakPolarHBondContact O-CB 3.24Å; Q306-A310 PolarHBondContact O-N 3.23Å; Q306-F417 HydrophobicContact CB-CD2 4.05Å; Q306-F417 HydrophobicContact CB-CE2 3.63Å; Q306-F417 HydrophobicContact CB-CZ 4.44Å
307M97.9Very high97.4Very high2 Ų245.1 Ų45.11%0.0128%0.278CS..Hα-helixtrans-63.4-45.6176.3-76.11765900111.4L303 Y304 E305 A309 A310 G311 K312 T313 I317 L356 L409 F411 F417L303-M307 WeakPolarHBondContact O-CB 3.32Å; L303-M307 VanDerWaalsContact O-CG 3.29Å; L303-M307 WeakPolarHBondContact O-CG 3.23Å; L303-M307 PolarHBondContact O-N 2.82Å; Y304-M307 WeakPolarHBondContact O-CB 3.34Å; Y304-M307 PolarHBondContact O-N 3.49Å; E305-M307 VanDerWaalsContact C-N 3.34Å; E305-M307 PolarHBondContact O-N 2.79Å; M307-A309 VanDerWaalsContact C-N 3.34Å; M307-A309 PolarHBondContact O-N 3.47Å; M307-A310 CarbonylContact O-C 3.43Å; M307-A310 PolarHBondContact O-N 3.32Å; M307-A310 VanDerWaalsContact O-N 3.15Å; M307-G311 PolarHBondContact O-N 2.92Å; M307-K312 CarbonylContact C-O 3.5Å; M307-K312 HydrophobicContact CB-CB 4.28Å; M307-K312 HydrophobicContact CG-CB 4.43Å; M307-K312 PolarHBondContact O-N 3.4Å; M307-T313 WeakPolarHBondContact CE-O 3.34Å; M307-I317 HydrophobicContact CE-CD1 3.91Å; M307-I317 HydrophobicContact CE-CG1 4.03Å; M307-I317 HydrophobicContact SD-CD1 3.97Å; M307-I317 HydrophobicContact SD-CG1 4.36Å; M307-L356 HydrophobicContact SD-CD2 4.28Å; M307-L409 HydrophobicContact CG-CD1 4.07Å; M307-L409 HydrophobicContact SD-CD1 3.44Å; M307-L409 WeakPolarHBondContact SD-CD1 3.42Å; M307-F411 HydrophobicContact CE-CE1 4.1Å; M307-F411 HydrophobicContact CG-CE1 4.08Å; M307-F411 HydrophobicContact CG-CZ 3.83Å; M307-F411 HydrophobicContact SD-CE1 4.16Å; M307-F411 HydrophobicContact SD-CZ 4.27Å; M307-F417 HydrophobicContact CB-CE2 4.49Å; M307-F417 HydrophobicContact CG-CE2 3.75Å; M307-F417 HydrophobicContact CG-CZ 4.38Å
308Q97.1Very high97.4Very high103 Ų10350.7 Ų50.748%0.48131%0.305SS..Hα-helixtrans-58.8-46.1175.5-67.7-61.3-47.500111.3Y304 E305 A310 G311Y304-Q308 HydrophobicContact CD1-CG 4.23Å; Y304-Q308 HydrophobicContact CE1-CG 3.8Å; Y304-Q308 HydrophobicContact CE2-CG 4.47Å; Y304-Q308 WeakPolarHBondContact O-CG 3.16Å; Y304-Q308 PolarHBondContact O-N 2.81Å; E305-Q308 PolarHBondContact O-N 2.73Å; Q308-A310 VanDerWaalsContact C-N 3.25Å; Q308-A310 PolarHBondContact O-N 2.85Å; Q308-G311 PolarHBondContact O-N 2.94Å; Q308-G311 VanDerWaalsContact O-N 3.1Å
309A97.1Very high97.5Very high95 Ų9552.9 Ų52.979%0.78531%0.314SS*.Hα-helixtrans-62.9-31.3177.700000113.1E305 Q306 M307E305-A309 PolarHBondContact O-N 2.94Å; Q306-A309 PolarHBondContact O-N 3.35Å; M307-A309 VanDerWaalsContact C-N 3.34Å; M307-A309 PolarHBondContact O-N 3.47Å
310A96.5Very high97.5Very high56 Ų5652.9 Ų52.946%0.46331%0.314SS..THydrogen-bonded Turntrans-87.50.4176.800000114.1Q306 M307 Q308 K312 F417Q306-A310 WeakPolarHBondContact O-CB 3.24Å; Q306-A310 PolarHBondContact O-N 3.23Å; M307-A310 CarbonylContact O-C 3.43Å; M307-A310 PolarHBondContact O-N 3.32Å; M307-A310 VanDerWaalsContact O-N 3.15Å; Q308-A310 VanDerWaalsContact C-N 3.25Å; Q308-A310 PolarHBondContact O-N 2.85Å; A310-K312 HydrophobicContact CB-CD 4.24Å; A310-K312 HydrophobicContact CB-CG 4.3Å; A310-K312 PolarHBondContact O-N 3.05Å; A310-F417 HydrophobicContact CB-CE1 4.38Å; A310-F417 HydrophobicContact CB-CZ 3.84Å
311G96.2Very high97.5Very high67 Ų6754.1 Ų54.169%0.69132%0.321SS*.THydrogen-bonded Turntrans66.524.1-175.100000114.1M307 Q308M307-G311 PolarHBondContact O-N 2.92Å; Q308-G311 PolarHBondContact O-N 2.94Å; Q308-G311 VanDerWaalsContact O-N 3.1Å
312K96.9Very high97.5Very high26 Ų2652 Ų5211%0.11331%0.311CS..  trans-100.6153.9178.9-70.9175.1175.3-83.20111M307 A310 F411 D413 T415 F417M307-K312 CarbonylContact C-O 3.5Å; M307-K312 HydrophobicContact CB-CB 4.28Å; M307-K312 HydrophobicContact CG-CB 4.43Å; M307-K312 PolarHBondContact O-N 3.4Å; A310-K312 HydrophobicContact CB-CD 4.24Å; A310-K312 HydrophobicContact CB-CG 4.3Å; A310-K312 PolarHBondContact O-N 3.05Å; K312-F411 HydrophobicContact CB-CE1 4.11Å; K312-F411 HydrophobicContact CD-CD1 3.81Å; K312-F411 HydrophobicContact CD-CD2 3.93Å; K312-F411 HydrophobicContact CD-CE1 3.73Å; K312-F411 HydrophobicContact CD-CE2 3.86Å; K312-F411 HydrophobicContact CD-CG 3.92Å; K312-F411 HydrophobicContact CD-CZ 3.76Å; K312-F411 HydrophobicContact CG-CE1 4.43Å; K312-D413 VanDerWaalsContact NZ-CG 3.29Å; K312-D413 IonicContact NZ-OD1 3.46Å; K312-D413 PolarHBondContact NZ-OD1 2.93Å; K312-D413 IonicContact NZ-OD2 3.71Å; K312-D413 PolarHBondContact NZ-OD2 2.97Å; K312-T415 WeakPolarHBondContact CE-OG1 3.5Å; K312-T415 PolarHBondContact NZ-OG1 2.86Å; K312-F417 HydrophobicContact CD-CE1 4.13Å; K312-F417 HydrophobicContact CD-CZ 4.02Å
313T96.4Very high97.6Very high68 Ų6852.7 Ų52.742%0.41731%0.307SS..  trans-128.8168.4179.370.90000110.9M307 A315 D316M307-T313 WeakPolarHBondContact CE-O 3.34Å; T313-A315 PolarHBondContact O-N 3.45Å; T313-A315 VanDerWaalsContact O-N 3.11Å; T313-A315 PolarHBondContact OG1-N 2.62Å; T313-D316 PolarHBondContact N-OD2 3.07Å; T313-D316 WeakPolarHBondContact O-CB 3.34Å; T313-D316 PolarHBondContact O-N 3.3Å; T313-D316 PolarHBondContact OG1-OD2 2.95Å
314A96.2Very high97.5Very high14 Ų1452.7 Ų52.712%0.11631%0.307CS..G310 helixtrans-59.4-22176.400000113.6D316 I317 L357 L379A314-D316 VanDerWaalsContact C-N 3.27Å; A314-D316 PolarHBondContact O-N 2.8Å; A314-I317 HydrophobicContact CB-CD1 4.42Å; A314-I317 PolarHBondContact O-N 2.86Å; A314-L357 HydrophobicContact CB-CD2 3.45Å; A314-L357 VanDerWaalsContact CB-CD2 3.45Å; A314-L357 HydrophobicContact CB-CG 4.03Å; A314-L379 HydrophobicContact CB-CD2 4.26Å
315A96.3Very high97.4Very high76 Ų7650.1 Ų50.163%0.62830%0.297SS*.G310 helixtrans-68.2-28.9175.200000112.2T313 I317T313-A315 PolarHBondContact O-N 3.45Å; T313-A315 VanDerWaalsContact O-N 3.11Å; T313-A315 PolarHBondContact OG1-N 2.62Å; A315-I317 VanDerWaalsContact C-N 3.31Å
316D97.5Very high97.2Very high55 Ų5546.6 Ų46.629%0.29428%0.281SS..G310 helixtrans-79.8-15-178.7-54-59000112.5T313 A314 E318 F411 T412T313-D316 PolarHBondContact N-OD2 3.07Å; T313-D316 WeakPolarHBondContact O-CB 3.34Å; T313-D316 PolarHBondContact O-N 3.3Å; T313-D316 PolarHBondContact OG1-OD2 2.95Å; A314-D316 VanDerWaalsContact C-N 3.27Å; A314-D316 PolarHBondContact O-N 2.8Å; D316-E318 PolarHBondContact O-N 2.89Å; D316-F411 HydrophobicContact CB-CD1 3.99Å; D316-F411 CarbonylContact O-C 3.53Å; D316-F411 VanDerWaalsContact O-CA 3.24Å; D316-F411 WeakPolarHBondContact O-CA 3.14Å; D316-F411 WeakPolarHBondContact O-CB 3.4Å; D316-T412 PolarHBondContact O-N 3.27Å; D316-T412 PolarHBondContact O-OG1 3.46Å
317I98.3Very high96.8Very high0 Ų043.2 Ų43.20%027%0.265CS..EExtended strand (participates in β ladder)trans-67.8122.6179.1-62.2175000109.2M307 A314 A315 V320 L356 L379 K382 L409 F411M307-I317 HydrophobicContact CE-CD1 3.91Å; M307-I317 HydrophobicContact CE-CG1 4.03Å; M307-I317 HydrophobicContact SD-CD1 3.97Å; M307-I317 HydrophobicContact SD-CG1 4.36Å; A314-I317 HydrophobicContact CB-CD1 4.42Å; A314-I317 PolarHBondContact O-N 2.86Å; A315-I317 VanDerWaalsContact C-N 3.31Å; I317-V320 HydrophobicContact CG2-CG2 3.58Å; I317-L356 HydrophobicContact CD1-CD1 4.26Å; I317-L379 HydrophobicContact CB-CD1 4.27Å; I317-L379 HydrophobicContact CD1-CD1 4Å; I317-L379 HydrophobicContact CG2-CD1 4.05Å; I317-K382 WeakPolarHBondContact O-CD 3.4Å; I317-K382 PolarHBondContact O-NZ 3.36Å; I317-L409 HydrophobicContact CD1-CD1 4.38Å; I317-L409 HydrophobicContact CD1-CD2 4.38Å; I317-F411 HydrophobicContact CG1-CD1 4.19Å; I317-F411 HydrophobicContact CG1-CE1 3.86Å
318E98.1Very high96.5Very high117 Ų11743.1 Ų43.155%0.54727%0.265SS..EExtended strand (participates in β ladder)trans-87.4-44.4170.5-176.7172.7-174.300110.6D316 E410 T412D316-E318 PolarHBondContact O-N 2.89Å; E318-E410 PolarHBondContact N-O 3.43Å; E318-T412 HydrophobicContact CB-CG2 3.94Å
319K98.2Very high96.3Very high78 Ų7840.6 Ų40.634%0.33925%0.254SS..EExtended strand (participates in β ladder)trans-150.7143.3-174.6177.8172.6162.5-119.90111.9T321 E410K319-T321 WeakPolarHBondContact CE-OG1 3.36Å; K319-T321 PolarHBondContact NZ-OG1 3.04Å; K319-E410 HydrophobicContact CB-CB 4.29Å; K319-E410 WeakPolarHBondContact CD-OE1 3.5Å; K319-E410 PolarHBondContact N-O 3.04Å; K319-E410 VanDerWaalsContact N-O 3.11Å; K319-E410 IonicContact NZ-OE1 3.88Å; K319-E410 PolarHBondContact NZ-OE1 3.08Å; K319-E410 PolarHBondContact O-N 3.32Å
320V98.5Very high95.9Very high0 Ų040.9 Ų40.90%024%0.235CC..EExtended strand (participates in β ladder)trans-120.1124.8171.4-175.60000108.4I317 I322 L356 L379 K382 I383 N384 I407 T408 L409I317-V320 HydrophobicContact CG2-CG2 3.58Å; V320-I322 HydrophobicContact CG1-CG1 4.35Å; V320-L356 HydrophobicContact CG2-CD1 4.36Å; V320-L379 HydrophobicContact CG2-CD1 4.3Å; V320-K382 PolarHBondContact N-O 2.97Å; V320-I383 HydrophobicContact CB-CB 4.26Å; V320-I383 HydrophobicContact CB-CG1 3.73Å; V320-I383 HydrophobicContact CB-CG2 4.42Å; V320-I383 HydrophobicContact CG1-CG1 4.1Å; V320-I383 HydrophobicContact CG1-CG2 4.28Å; V320-I383 HydrophobicContact CG2-CG1 3.94Å; V320-I383 WeakPolarHBondContact O-CA 3.41Å; V320-N384 PolarHBondContact O-N 3.41Å; V320-I407 HydrophobicContact CG1-CG2 3.73Å; V320-T408 WeakPolarHBondContact CA-O 3.25Å; V320-L409 HydrophobicContact CB-CD2 4.17Å; V320-L409 HydrophobicContact CG1-CD2 3.85Å; V320-L409 HydrophobicContact CG2-CD2 3.63Å
321T98.5Very high95.3Very high25 Ų2538.8 Ų38.815%0.15322%0.216CC..EExtended strand (participates in β ladder)trans-110.7124.1176.5-590000108.9K319 F386 I407 T408K319-T321 WeakPolarHBondContact CE-OG1 3.36Å; K319-T321 PolarHBondContact NZ-OG1 3.04Å; T321-F386 HydrophobicContact CG2-CD2 3.72Å; T321-F386 HydrophobicContact CG2-CE2 3.79Å; T321-I407 WeakPolarHBondContact O-CA 3.34Å; T321-T408 PolarHBondContact N-O 2.9Å; T321-T408 PolarHBondContact O-N 2.83Å
322I98.5Very high95Very high0 Ų035.6 Ų35.60%018%0.183CC..EExtended strand (participates in β ladder)trans-111.9111.8175.2-53.3-178.9000108.7V320 I348 V352 I383 N384 C385 F386 A406 I407V320-I322 HydrophobicContact CG1-CG1 4.35Å; I322-I348 HydrophobicContact CD1-CD1 4.2Å; I322-I348 HydrophobicContact CD1-CG1 4.12Å; I322-I348 HydrophobicContact CG2-CD1 4.22Å; I322-V352 HydrophobicContact CD1-CB 4.33Å; I322-V352 HydrophobicContact CD1-CG1 4.34Å; I322-V352 HydrophobicContact CD1-CG2 3.85Å; I322-I383 HydrophobicContact CD1-CG2 3.43Å; I322-I383 VanDerWaalsContact CD1-CG2 3.43Å; I322-I383 HydrophobicContact CG1-CG2 3.92Å; I322-N384 PolarHBondContact N-O 3.37Å; I322-C385 CarbonylContact O-C 3.57Å; I322-C385 VanDerWaalsContact O-CA 3.25Å; I322-C385 WeakPolarHBondContact O-CA 3.45Å; I322-F386 PolarHBondContact O-N 3.4Å; I322-A406 CarbonylContact C-O 3.47Å; I322-A406 VanDerWaalsContact CA-O 3.31Å; I322-A406 WeakPolarHBondContact CA-O 3.36Å; I322-I407 HydrophobicContact CG1-CD1 4.45Å; I322-I407 HydrophobicContact CG1-CG1 4.21Å
323R98.3Very high94.9Very high65 Ų6536.6 Ų36.625%0.24519%0.19CC..EExtended strand (participates in β ladder)trans-90.7123169.3179.4169.759.884.83108.5F386 D388 F391 N405 A406 E419R323-F386 WeakPolarHBondContact CA-O 3.44Å; R323-D388 WeakPolarHBondContact CD-OD2 3.27Å; R323-D388 HydrophobicContact CG-CB 3.64Å; R323-D388 IonicContact CZ-OD2 2.63Å; R323-D388 IonicContact NE-OD2 3.85Å; R323-D388 IonicContact NH1-OD2 2.62Å; R323-D388 PolarHBondContact NH1-OD2 2.88Å; R323-F391 HydrophobicContact CG-CE2 4.25Å; R323-N405 CarbonylContact O-C 3.52Å; R323-N405 WeakPolarHBondContact O-CA 3.45Å; R323-A406 HydrophobicContact CB-CB 4.24Å; R323-A406 PolarHBondContact N-O 2.91Å; R323-A406 PolarHBondContact O-N 3.06Å; R323-E419 IonicContact CZ-OE1 3.36Å; R323-E419 IonicContact NE-OE1 3.6Å; R323-E419 IonicContact NE-OE2 2.66Å; R323-E419 IonicContact NH2-OE1 3.87Å; R323-E419 PolarHBondContact NH2-OE1 3.41Å; R323-E419 IonicContact NH2-OE2 3.13Å
324T97.9Very high94.5Very high0 Ų034.9 Ų34.90%018%0.176CC..EExtended strand (participates in β ladder)trans-146.3-173.2-167.3-166.90000111.7C328 I329 C385 F386 E387 D388 N405T324-C328 HydrophobicContact CG2-CB 4.01Å; T324-C328 WeakPolarHBondContact OG1-CB 3.4Å; T324-C328 PolarHBondContact OG1-SG 3.02Å; T324-C328 VanDerWaalsContact OG1-SG 3.38Å; T324-I329 HydrophobicContact CG2-CD1 4.13Å; T324-I329 HydrophobicContact CG2-CG1 3.7Å; T324-C385 HydrophobicContact CG2-CB 4.41Å; T324-F386 PolarHBondContact N-O 3.21Å; T324-E387 CarbonylContact O-C 3.55Å; T324-E387 WeakPolarHBondContact O-CA 3.19Å; T324-D388 PolarHBondContact O-N 3.32Å; T324-N405 WeakPolarHBondContact CB-OD1 3.45Å; T324-N405 PolarHBondContact OG1-OD1 2.67Å
325H95.2Very high94.1Very high1 Ų141.5 Ų41.51%0.00520%0.202CC..  trans-104.3161.2-179.154.5-71.7000111.8H292 A327 C328 I329 F391 Y395 A404H292-H325 AromaticContact CD2-NE2 3.41Å; H292-H325 PolarHBondContact CD2-NE2 3.15Å; H325-A327 VanDerWaalsContact C-N 3.28Å; H325-A327 PolarHBondContact O-N 3.49Å; H325-C328 WeakPolarHBondContact O-CB 3.43Å; H325-C328 PolarHBondContact O-N 3.12Å; H325-C328 VanDerWaalsContact O-N 3.12Å; H325-I329 PolarHBondContact O-N 3.32Å; H325-F391 HydrophobicContact CB-CB 3.97Å; H325-Y395 AromaticContact CD2-CD2 3.66Å; H325-Y395 AromaticContact CD2-CG 3.87Å; H325-Y395 AromaticContact NE2-CD2 3.82Å; H325-A404 PolarHBondContact ND1-O 2.87Å
326E93.8Very high93.8Very high58 Ų5839.1 Ų39.127%0.27119%0.186SC..Hα-helixtrans-52-43.4-176-177.2-83.9158.300113.1C328 I329 R330 T392E326-C328 VanDerWaalsContact C-N 3.34Å; E326-C328 PolarHBondContact O-N 3.43Å; E326-I329 PolarHBondContact O-N 3.49Å; E326-I329 VanDerWaalsContact O-N 3.14Å; E326-R330 WeakPolarHBondContact O-CB 3.33Å; E326-R330 PolarHBondContact O-N 3.17Å; E326-R330 VanDerWaalsContact OE1-CD 3.23Å; E326-R330 WeakPolarHBondContact OE1-CD 3.31Å; E326-R330 IonicContact OE1-NE 2.67Å; E326-R330 PolarHBondContact OE1-NE 3.5Å; E326-R330 IonicContact OE2-NE 3.81Å; E326-R330 IonicContact OE2-NH2 3.1Å; E326-T392 HydrophobicContact CB-CG2 3.91Å; E326-T392 PolarHBondContact N-OG1 3.14Å
327A88.7Confident93.4Very high2 Ų241.7 Ų41.72%0.01721%0.205CC..Hα-helixtrans-61.6-43.6-177.500000111.2W110 H325 I329 R330 I331 Y395W110-A327 HydrophobicContact CZ2-CB 4.47Å; H325-A327 VanDerWaalsContact C-N 3.28Å; H325-A327 PolarHBondContact O-N 3.49Å; A327-I329 VanDerWaalsContact C-N 3.33Å; A327-I329 PolarHBondContact O-N 3.18Å; A327-R330 PolarHBondContact O-N 3.04Å; A327-I331 HydrophobicContact CB-CD1 4.1Å; A327-I331 WeakPolarHBondContact O-CB 3.45Å; A327-I331 WeakPolarHBondContact O-CD1 3.49Å; A327-I331 WeakPolarHBondContact O-CG1 3.38Å; A327-I331 PolarHBondContact O-N 3.04Å; A327-Y395 HydrophobicContact CB-CD1 4.48Å; A327-Y395 HydrophobicContact CB-CE1 3.97Å
328C92.4Very high93.1Very high0 Ų042.9 Ų42.90%021%0.211CC..Hα-helixtrans-56.6-46.9174.3179.30000111.8H292 T324 H325 E326 R330 I331 I332 D333 I348H292-C328 HydrophobicContact CB-CB 4.15Å; T324-C328 HydrophobicContact CG2-CB 4.01Å; T324-C328 WeakPolarHBondContact OG1-CB 3.4Å; T324-C328 PolarHBondContact OG1-SG 3.02Å; T324-C328 VanDerWaalsContact OG1-SG 3.38Å; H325-C328 WeakPolarHBondContact O-CB 3.43Å; H325-C328 PolarHBondContact O-N 3.12Å; H325-C328 VanDerWaalsContact O-N 3.12Å; E326-C328 VanDerWaalsContact C-N 3.34Å; E326-C328 PolarHBondContact O-N 3.43Å; C328-R330 PolarHBondContact O-N 2.82Å; C328-I331 PolarHBondContact O-N 3.45Å; C328-I332 WeakPolarHBondContact O-CG1 3.45Å; C328-I332 PolarHBondContact O-N 3.1Å; C328-D333 PolarHBondContact O-N 2.78Å; C328-I348 WeakPolarHBondContact SG-CD1 3.38Å
329I93.2Very high92.8Very high50 Ų5042.9 Ų42.926%0.25622%0.215SC..Hα-helixtrans-61.6-47.3179.4-64.9169.2000110.6T324 H325 E326 A327 I331 D333 E387T324-I329 HydrophobicContact CG2-CD1 4.13Å; T324-I329 HydrophobicContact CG2-CG1 3.7Å; H325-I329 PolarHBondContact O-N 3.32Å; E326-I329 PolarHBondContact O-N 3.49Å; E326-I329 VanDerWaalsContact O-N 3.14Å; A327-I329 VanDerWaalsContact C-N 3.33Å; A327-I329 PolarHBondContact O-N 3.18Å; I329-I331 VanDerWaalsContact C-N 3.29Å; I329-I331 PolarHBondContact O-N 2.96Å; I329-D333 HydrophobicContact CG2-CB 4.4Å; I329-D333 WeakPolarHBondContact O-CB 3.46Å; I329-E387 HydrophobicContact CD1-CB 3.46Å; I329-E387 VanDerWaalsContact CD1-CB 3.46Å; I329-E387 HydrophobicContact CD1-CG 4.08Å
330R87.5Confident92.4Very high101 Ų10140.9 Ų40.938%0.38121%0.208SC..Hα-helixtrans-66.1-30.3-177-178.5165.755.895-0.1113.5W110 N165 E326 A327 C328W110-R330 VanDerWaalsContact CZ2-NH2 3.26Å; N165-R330 PolarHBondContact OD1-NH1 3.17Å; E326-R330 WeakPolarHBondContact O-CB 3.33Å; E326-R330 PolarHBondContact O-N 3.17Å; E326-R330 VanDerWaalsContact OE1-CD 3.23Å; E326-R330 WeakPolarHBondContact OE1-CD 3.31Å; E326-R330 IonicContact OE1-NE 2.67Å; E326-R330 PolarHBondContact OE1-NE 3.5Å; E326-R330 IonicContact OE2-NE 3.81Å; E326-R330 IonicContact OE2-NH2 3.1Å; A327-R330 PolarHBondContact O-N 3.04Å; C328-R330 PolarHBondContact O-N 2.82Å
331I84.3Confident92.1Very high12 Ų1242.9 Ų42.96%0.06222%0.221CC..Hα-helixtrans-100.7-47.1-168.9-55.3158.1000112.1W110 H292 A327 C328 I329 K334W110-I331 HydrophobicContact CD2-CD1 4.14Å; W110-I331 HydrophobicContact CE3-CD1 3.74Å; W110-I331 HydrophobicContact CE3-CG1 4.39Å; W110-I331 HydrophobicContact CH2-CD1 3Å; W110-I331 HydrophobicContact CH2-CG1 3.17Å; W110-I331 HydrophobicContact CZ2-CD1 3.39Å; W110-I331 HydrophobicContact CZ2-CG1 4Å; W110-I331 HydrophobicContact CZ3-CD1 3.17Å; W110-I331 HydrophobicContact CZ3-CG1 3.39Å; W110-I331 HydrophobicContact CZ3-CG2 4.26Å; H292-I331 WeakPolarHBondContact CE1-CD1 3.4Å; A327-I331 HydrophobicContact CB-CD1 4.1Å; A327-I331 WeakPolarHBondContact O-CB 3.45Å; A327-I331 WeakPolarHBondContact O-CD1 3.49Å; A327-I331 WeakPolarHBondContact O-CG1 3.38Å; A327-I331 PolarHBondContact O-N 3.04Å; C328-I331 PolarHBondContact O-N 3.45Å; I329-I331 VanDerWaalsContact C-N 3.29Å; I329-I331 PolarHBondContact O-N 2.96Å; I331-K334 WeakPolarHBondContact O-CE 3.39Å
332I90.6Very high91.6Very high0 Ų042.1 Ų42.10%022%0.218CC..Hα-helixtrans-126.3-4.9-164.861.5169.5000114.3E290 H292 C328 K334 H346 C347 I348 M351E290-I332 HydrophobicContact CB-CG2 4.15Å; E290-I332 HydrophobicContact CG-CG2 3.78Å; H292-I332 HydrophobicContact CB-CD1 3.91Å; C328-I332 WeakPolarHBondContact O-CG1 3.45Å; C328-I332 PolarHBondContact O-N 3.1Å; I332-K334 PolarHBondContact O-N 3.4Å; I332-K334 VanDerWaalsContact O-N 3.15Å; I332-H346 WeakPolarHBondContact CA-O 3.37Å; I332-H346 HydrophobicContact CG2-CB 4.28Å; I332-C347 CarbonylContact O-C 3.56Å; I332-C347 VanDerWaalsContact O-CA 3.27Å; I332-C347 WeakPolarHBondContact O-CA 3.39Å; I332-I348 HydrophobicContact CD1-CB 3.87Å; I332-I348 HydrophobicContact CD1-CD1 4.3Å; I332-I348 HydrophobicContact CD1-CG1 4.38Å; I332-I348 HydrophobicContact CG1-CB 4.05Å; I332-I348 PolarHBondContact O-N 3.41Å; I332-M351 HydrophobicContact CB-CE 4.48Å; I332-M351 HydrophobicContact CD1-CE 4.04Å
333D94.1Very high91.2Very high47 Ų4742.6 Ų42.625%0.25122%0.22SC..  trans-75.599.5166-1799.2000109.4C328 I329 Q349 C385C328-D333 PolarHBondContact O-N 2.78Å; I329-D333 HydrophobicContact CG2-CB 4.4Å; I329-D333 WeakPolarHBondContact O-CB 3.46Å; D333-Q349 PolarHBondContact OD1-NE2 3.34Å; D333-C385 HydrophobicContact CB-CB 4.4Å
334K88.6Confident91Very high31 Ų3140.2 Ų40.214%0.13521%0.211CC..  trans-130.1141.1-175-64.5-170.4-171.5168.80111.6I331 I332 H346 C347 Q349I331-K334 WeakPolarHBondContact O-CE 3.39Å; I332-K334 PolarHBondContact O-N 3.4Å; I332-K334 VanDerWaalsContact O-N 3.15Å; K334-H346 WeakPolarHBondContact CD-O 3.11Å; K334-H346 WeakPolarHBondContact CE-O 3.26Å; K334-H346 PolarHBondContact NZ-O 2.96Å; K334-C347 HydrophobicContact CB-CB 4.42Å; K334-Q349 PolarHBondContact O-OE1 2.58Å
335K88Confident90.6Very high153 Ų15340.8 Ų40.867%0.66521%0.214SC*.  trans-117.2156.4175.2-62.7-167.9176.1-167.30111.6
336G89.3Confident90.4Very high27 Ų2741.3 Ų41.328%0.27822%0.217SC..SBendtrans91.7-168.9177.700000114.7R380G336-R380 PolarHBondContact O-NH2 3.49Å
337P90.4Very high90.4Very high109 Ų10938.6 Ų38.671%0.70820%0.204SC*.  trans-62.7142.1-175.5-21.933.3000112.9
338L91.8Very high90.8Very high24 Ų2438.5 Ų38.513%0.12620%0.203CC..  trans-114.8115.6174.5-55.8175.2000108.6D343 R344 C347 Y350L338-D343 HydrophobicContact CB-CB 3.89Å; L338-D343 HydrophobicContact CD2-CB 3.97Å; L338-D343 HydrophobicContact CG-CB 4.49Å; L338-R344 HydrophobicContact CB-CG 3.81Å; L338-R344 HydrophobicContact CD1-CB 4.36Å; L338-R344 HydrophobicContact CD1-CG 3.85Å; L338-R344 HydrophobicContact CG-CG 4.48Å; L338-C347 HydrophobicContact CD1-CB 3.9Å; L338-C347 HydrophobicContact CD2-CB 4.04Å; L338-Y350 HydrophobicContact CD1-CD2 3.73Å; L338-Y350 HydrophobicContact CD1-CG 4.16Å
339N90.4Very high91.1Very high118 Ų11838.7 Ų38.763%0.63120%0.204SC*.  trans-95.8-13.4-162.5-56.8-68000113.7D343N339-D343 PolarHBondContact N-OD2 3.02Å
340N90.3Very high91.3Very high36 Ų3636.4 Ų36.419%0.19319%0.192CC..SBendtrans-156.3168.5-176.763.167.8000111T217 A342 D343 R344T217-N340 PolarHBondContact O-ND2 2.85Å; N340-A342 PolarHBondContact O-N 3.09Å; N340-A342 WeakPolarHBondContact OD1-CA 3.2Å; N340-A342 VanDerWaalsContact OD1-CB 3.23Å; N340-A342 WeakPolarHBondContact OD1-CB 3.39Å; N340-A342 PolarHBondContact OD1-N 3.12Å; N340-D343 PolarHBondContact ND2-OD2 2.75Å; N340-D343 WeakPolarHBondContact O-CB 3.27Å; N340-D343 PolarHBondContact O-N 3.02Å; N340-D343 VanDerWaalsContact O-N 3.13Å; N340-D343 PolarHBondContact OD1-N 3.03Å; N340-R344 PolarHBondContact O-N 2.99Å
341P91.4Very high91.7Very high42 Ų4231.6 Ų31.627%0.27317%0.174SC..Hα-helixtrans-55.3-34178.7-29.236000114.5R344 D345 Y366P341-R344 PolarHBondContact O-N 3.27Å; P341-D345 PolarHBondContact O-N 2.83Å; P341-Y366 WeakPolarHBondContact CG-O 3.43Å
342A89.1Confident92.4Very high9 Ų931 Ų317%0.07417%0.171CC..Hα-helixtrans-71-32.7179.800000113T217 K221 N340 R344 H346T217-A342 HydrophobicContact CG2-CB 3.76Å; T217-A342 WeakPolarHBondContact CG2-O 3.42Å; K221-A342 HydrophobicContact CD-CB 3.63Å; K221-A342 HydrophobicContact CG-CB 4.33Å; N340-A342 PolarHBondContact O-N 3.09Å; N340-A342 WeakPolarHBondContact OD1-CA 3.2Å; N340-A342 VanDerWaalsContact OD1-CB 3.23Å; N340-A342 WeakPolarHBondContact OD1-CB 3.39Å; N340-A342 PolarHBondContact OD1-N 3.12Å; A342-R344 VanDerWaalsContact C-N 3.29Å; A342-H346 PolarHBondContact O-N 3.13Å
343D89.8Confident92.8Very high9 Ų931 Ų315%0.04817%0.171CC..Hα-helixtrans-61.3-41.4170.3-81.5-31.3000110.9T217 L338 N339 N340 H346 C347T217-D343 VanDerWaalsContact CB-OD1 3.32Å; T217-D343 WeakPolarHBondContact CB-OD1 3.34Å; L338-D343 HydrophobicContact CB-CB 3.89Å; L338-D343 HydrophobicContact CD2-CB 3.97Å; L338-D343 HydrophobicContact CG-CB 4.49Å; N339-D343 PolarHBondContact N-OD2 3.02Å; N340-D343 PolarHBondContact ND2-OD2 2.75Å; N340-D343 WeakPolarHBondContact O-CB 3.27Å; N340-D343 PolarHBondContact O-N 3.02Å; N340-D343 VanDerWaalsContact O-N 3.13Å; N340-D343 PolarHBondContact OD1-N 3.03Å; D343-H346 CarbonylContact O-C 3.51Å; D343-H346 PolarHBondContact O-N 3.19Å; D343-C347 PolarHBondContact O-N 3.32Å
344R93.9Very high93Very high15 Ų1528.8 Ų28.86%0.05716%0.159CC..Hα-helixtrans-71.9-42.6-175.7-60.2165.9-170139.23.6112.7L338 N340 P341 A342 H346 C347 Y350 Y366 D368L338-R344 HydrophobicContact CB-CG 3.81Å; L338-R344 HydrophobicContact CD1-CB 4.36Å; L338-R344 HydrophobicContact CD1-CG 3.85Å; L338-R344 HydrophobicContact CG-CG 4.48Å; N340-R344 PolarHBondContact O-N 2.99Å; P341-R344 PolarHBondContact O-N 3.27Å; A342-R344 VanDerWaalsContact C-N 3.29Å; R344-H346 PolarHBondContact O-N 2.87Å; R344-C347 PolarHBondContact O-N 3.34Å; R344-Y350 HydrophobicContact CB-CD1 3.82Å; R344-Y350 HydrophobicContact CB-CD2 4.18Å; R344-Y350 HydrophobicContact CB-CE1 3.89Å; R344-Y350 HydrophobicContact CB-CE2 4.24Å; R344-Y350 HydrophobicContact CB-CG 3.98Å; R344-Y350 HydrophobicContact CG-CD1 4.5Å; R344-Y350 HydrophobicContact CG-CD2 4.03Å; R344-Y350 HydrophobicContact CG-CE1 4.37Å; R344-Y350 HydrophobicContact CG-CE2 3.87Å; R344-Y350 HydrophobicContact CG-CG 4.35Å; R344-Y366 HydrophobicContact CB-CD1 3.65Å; R344-Y366 HydrophobicContact CB-CE1 4.43Å; R344-Y366 VanDerWaalsContact CD-O 3.27Å; R344-Y366 WeakPolarHBondContact CD-O 3.42Å; R344-Y366 PolarHBondContact NH1-O 2.84Å; R344-D368 IonicContact CZ-OD1 3.1Å; R344-D368 IonicContact NH1-OD1 3.93Å; R344-D368 PolarHBondContact NH1-OD1 3.31Å; R344-D368 IonicContact NH2-OD1 3.66Å; R344-D368 PolarHBondContact NH2-OD1 3.37Å
345D90.8Very high93.4Very high12 Ų1227.3 Ų27.36%0.06415%0.153CC..Hα-helixtrans-65.6-16.6171171.459.6000112.6K221 A289 E290 P341 M351 Y366K221-D345 IonicContact NZ-OD2 3.44Å; K221-D345 PolarHBondContact NZ-OD2 2.75Å; A289-D345 WeakPolarHBondContact CA-OD1 3.43Å; E290-D345 WeakPolarHBondContact CB-O 3.19Å; E290-D345 PolarHBondContact N-OD1 2.86Å; P341-D345 PolarHBondContact O-N 2.83Å; D345-M351 WeakPolarHBondContact O-CE 3.12Å; D345-Y366 HydrophobicContact CB-CD1 4.3Å; D345-Y366 HydrophobicContact CB-CE1 4.02Å
346H90.2Very high93.9Very high13 Ų1320.1 Ų20.16%0.0612%0.121CC..THydrogen-bonded Turntrans-110.333.7173.3-77.422.4000112.3K221 E290 I332 K334 A342 D343 R344K221-H346 PolarHBondContact NZ-CE1 3.01Å; K221-H346 PolarHBondContact NZ-ND1 3.22Å; E290-H346 WeakPolarHBondContact CG-CE1 3.48Å; I332-H346 WeakPolarHBondContact CA-O 3.37Å; I332-H346 HydrophobicContact CG2-CB 4.28Å; K334-H346 WeakPolarHBondContact CD-O 3.11Å; K334-H346 WeakPolarHBondContact CE-O 3.26Å; K334-H346 PolarHBondContact NZ-O 2.96Å; A342-H346 PolarHBondContact O-N 3.13Å; D343-H346 CarbonylContact O-C 3.51Å; D343-H346 PolarHBondContact O-N 3.19Å; R344-H346 PolarHBondContact O-N 2.87Å
347C94.3Very high94.3Very high0 Ų020 Ų200%011%0.114CC..  trans-133.8106.2174.1179.10000109.8I332 K334 L338 D343 R344 Q349 Y350 M351I332-C347 CarbonylContact O-C 3.56Å; I332-C347 VanDerWaalsContact O-CA 3.27Å; I332-C347 WeakPolarHBondContact O-CA 3.39Å; K334-C347 HydrophobicContact CB-CB 4.42Å; L338-C347 HydrophobicContact CD1-CB 3.9Å; L338-C347 HydrophobicContact CD2-CB 4.04Å; D343-C347 PolarHBondContact O-N 3.32Å; R344-C347 PolarHBondContact O-N 3.34Å; C347-Q349 PolarHBondContact O-N 2.78Å; C347-Q349 PolarHBondContact SG-OE1 2.94Å; C347-Q349 VanDerWaalsContact SG-OE1 3.34Å; C347-Y350 WeakPolarHBondContact O-CB 3.25Å; C347-Y350 PolarHBondContact O-N 3.13Å; C347-M351 PolarHBondContact O-N 2.85Å
348I96.8Very high94.6Very high0 Ų017.1 Ų17.10%09%0.091CC..Hα-helixtrans-59.8-35.2-178.7-171.8165000111.9A296 I322 C328 I332 Y350 M351 V352 C385A296-I348 HydrophobicContact CB-CD1 3.85Å; A296-I348 HydrophobicContact CB-CG1 4.27Å; I322-I348 HydrophobicContact CD1-CD1 4.2Å; I322-I348 HydrophobicContact CD1-CG1 4.12Å; I322-I348 HydrophobicContact CG2-CD1 4.22Å; C328-I348 WeakPolarHBondContact SG-CD1 3.38Å; I332-I348 HydrophobicContact CD1-CB 3.87Å; I332-I348 HydrophobicContact CD1-CD1 4.3Å; I332-I348 HydrophobicContact CD1-CG1 4.38Å; I332-I348 HydrophobicContact CG1-CB 4.05Å; I332-I348 PolarHBondContact O-N 3.41Å; I348-Y350 VanDerWaalsContact C-N 3.29Å; I348-Y350 PolarHBondContact O-N 3.07Å; I348-M351 PolarHBondContact O-N 3Å; I348-V352 HydrophobicContact CG1-CG2 4.15Å; I348-V352 WeakPolarHBondContact O-CB 3.23Å; I348-V352 WeakPolarHBondContact O-CG2 3.1Å; I348-V352 PolarHBondContact O-N 3.47Å; I348-C385 VanDerWaalsContact CG2-SG 3.54Å
349Q97.8Very high94.9Very high4 Ų417 Ų172%0.01910%0.095CC..Hα-helixtrans-59.7-42.2175.3-64.181.6-3.700111.3D333 K334 C347 A353 R380 I383D333-Q349 PolarHBondContact OD1-NE2 3.34Å; K334-Q349 PolarHBondContact O-OE1 2.58Å; C347-Q349 PolarHBondContact O-N 2.78Å; C347-Q349 PolarHBondContact SG-OE1 2.94Å; C347-Q349 VanDerWaalsContact SG-OE1 3.34Å; Q349-A353 WeakPolarHBondContact O-CB 3.46Å; Q349-A353 PolarHBondContact O-N 3.44Å; Q349-R380 HydrophobicContact CB-CB 4.08Å; Q349-R380 HydrophobicContact CB-CG 3.92Å; Q349-I383 HydrophobicContact CB-CB 4.19Å; Q349-I383 HydrophobicContact CB-CD1 4.17Å; Q349-I383 HydrophobicContact CB-CG2 4.34Å; Q349-I383 HydrophobicContact CG-CB 3.8Å; Q349-I383 HydrophobicContact CG-CG2 3.82Å; Q349-I383 WeakPolarHBondContact O-CD1 3.28Å
350Y97.6Very high95.1Very high2 Ų217.5 Ų17.51%0.0089%0.089CC..Hα-helixtrans-66.1-50176.5-168.9-82.1000110.5L338 R344 C347 I348 V352 A353 I354 D365 Y366 A371 I376L338-Y350 HydrophobicContact CD1-CD2 3.73Å; L338-Y350 HydrophobicContact CD1-CG 4.16Å; R344-Y350 HydrophobicContact CB-CD1 3.82Å; R344-Y350 HydrophobicContact CB-CD2 4.18Å; R344-Y350 HydrophobicContact CB-CE1 3.89Å; R344-Y350 HydrophobicContact CB-CE2 4.24Å; R344-Y350 HydrophobicContact CB-CG 3.98Å; R344-Y350 HydrophobicContact CG-CD1 4.5Å; R344-Y350 HydrophobicContact CG-CD2 4.03Å; R344-Y350 HydrophobicContact CG-CE1 4.37Å; R344-Y350 HydrophobicContact CG-CE2 3.87Å; R344-Y350 HydrophobicContact CG-CG 4.35Å; C347-Y350 WeakPolarHBondContact O-CB 3.25Å; C347-Y350 PolarHBondContact O-N 3.13Å; I348-Y350 VanDerWaalsContact C-N 3.29Å; I348-Y350 PolarHBondContact O-N 3.07Å; Y350-V352 PolarHBondContact O-N 3.47Å; Y350-A353 PolarHBondContact O-N 2.82Å; Y350-A353 VanDerWaalsContact O-N 3.11Å; Y350-I354 HydrophobicContact CD1-CD1 4.47Å; Y350-I354 HydrophobicContact CD1-CG1 3.81Å; Y350-I354 HydrophobicContact CE1-CD1 3.78Å; Y350-I354 HydrophobicContact CE1-CG1 3.48Å; Y350-I354 VanDerWaalsContact CE1-CG1 3.48Å; Y350-I354 WeakPolarHBondContact O-CG1 3.38Å; Y350-I354 PolarHBondContact O-N 3.12Å; Y350-I354 VanDerWaalsContact O-N 3.1Å; Y350-D365 WeakPolarHBondContact CE1-O 3.41Å; Y350-D365 PolarHBondContact OH-O 2.88Å; Y350-Y366 HydrophobicContact CD1-CD1 4.06Å; Y350-Y366 HydrophobicContact CD1-CE1 4.11Å; Y350-Y366 AromaticContact CE1-CD1 3.79Å; Y350-Y366 HydrophobicContact CE1-CD1 3.79Å; Y350-Y366 HydrophobicContact CE1-CE1 4.2Å; Y350-A371 HydrophobicContact CE2-CB 4.31Å; Y350-I376 HydrophobicContact CD2-CG2 3.75Å; Y350-I376 HydrophobicContact CE2-CG2 3.65Å
351M97.2Very high95.4Very high0 Ų016.2 Ų16.20%08%0.081CC..Hα-helixtrans-63.4-24.1-178.3-67.6-177.7-74.700113.6A289 E290 S293 V297 I332 D345 C347 I348 P355 L361 Y366A289-M351 HydrophobicContact CB-SD 3.62Å; E290-M351 HydrophobicContact CB-CE 4.24Å; E290-M351 HydrophobicContact CB-SD 4.49Å; S293-M351 VanDerWaalsContact CB-CE 3.48Å; S293-M351 WeakPolarHBondContact OG-CE 3.38Å; S293-M351 PolarHBondContact OG-SD 2.83Å; V297-M351 HydrophobicContact CG2-CB 4.1Å; I332-M351 HydrophobicContact CB-CE 4.48Å; I332-M351 HydrophobicContact CD1-CE 4.04Å; D345-M351 WeakPolarHBondContact O-CE 3.12Å; C347-M351 PolarHBondContact O-N 2.85Å; I348-M351 PolarHBondContact O-N 3Å; M351-P355 WeakPolarHBondContact O-CD 3.45Å; M351-P355 VanDerWaalsContact O-CG 3.25Å; M351-P355 WeakPolarHBondContact O-CG 3.43Å; M351-L361 HydrophobicContact CB-CD2 4.34Å; M351-Y366 HydrophobicContact CG-CE1 4.04Å
352V98.3Very high95.5Very high0 Ų017 Ų170%09%0.086CC..Hα-helixtrans-88.7-34.7172.1168.70000112.4A296 A300 I322 I348 Y350 P355 L356 I383 I407A296-V352 HydrophobicContact CB-CG2 3.86Å; A300-V352 HydrophobicContact CB-CG1 4.13Å; I322-V352 HydrophobicContact CD1-CB 4.33Å; I322-V352 HydrophobicContact CD1-CG1 4.34Å; I322-V352 HydrophobicContact CD1-CG2 3.85Å; I348-V352 HydrophobicContact CG1-CG2 4.15Å; I348-V352 WeakPolarHBondContact O-CB 3.23Å; I348-V352 WeakPolarHBondContact O-CG2 3.1Å; I348-V352 PolarHBondContact O-N 3.47Å; Y350-V352 PolarHBondContact O-N 3.47Å; V352-P355 WeakPolarHBondContact O-CD 3.18Å; V352-P355 WeakPolarHBondContact O-CG 3.31Å; V352-L356 HydrophobicContact CG1-CD1 3.78Å; V352-L356 HydrophobicContact CG1-CG 4.4Å; V352-L356 WeakPolarHBondContact O-CG 3.43Å; V352-L356 PolarHBondContact O-N 2.9Å; V352-I383 HydrophobicContact CB-CD1 4.25Å; V352-I383 HydrophobicContact CG1-CD1 4.08Å; V352-I407 HydrophobicContact CG1-CD1 4.09Å; V352-I407 HydrophobicContact CG2-CD1 4.02Å
353A98.2Very high95.7Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-64.2-42.117900000112.4Q349 Y350 L356 L357 I376 L379 R380 I383Q349-A353 WeakPolarHBondContact O-CB 3.46Å; Q349-A353 PolarHBondContact O-N 3.44Å; Y350-A353 PolarHBondContact O-N 2.82Å; Y350-A353 VanDerWaalsContact O-N 3.11Å; A353-L356 PolarHBondContact O-N 3.27Å; A353-L357 WeakPolarHBondContact O-CB 3.19Å; A353-L357 WeakPolarHBondContact O-CD1 3.45Å; A353-L357 WeakPolarHBondContact O-CG 3.45Å; A353-L357 PolarHBondContact O-N 3.16Å; A353-I376 HydrophobicContact CB-CG2 4.35Å; A353-L379 HydrophobicContact CB-CB 4.29Å; A353-L379 HydrophobicContact CB-CD2 3.89Å; A353-L379 HydrophobicContact CB-CG 4.1Å; A353-R380 HydrophobicContact CB-CG 4.1Å; A353-I383 HydrophobicContact CB-CD1 4.1Å
354I98.2Very high95.8Very high0 Ų018.7 Ų18.70%010%0.101CC..Hα-helixtrans-57.2-55.8-179.7-65.3-62.9000112.8Y350 L356 L357 F358 R360 L361 D365 V370 I376Y350-I354 HydrophobicContact CD1-CD1 4.47Å; Y350-I354 HydrophobicContact CD1-CG1 3.81Å; Y350-I354 HydrophobicContact CE1-CD1 3.78Å; Y350-I354 HydrophobicContact CE1-CG1 3.48Å; Y350-I354 VanDerWaalsContact CE1-CG1 3.48Å; Y350-I354 WeakPolarHBondContact O-CG1 3.38Å; Y350-I354 PolarHBondContact O-N 3.12Å; Y350-I354 VanDerWaalsContact O-N 3.1Å; I354-L356 VanDerWaalsContact C-N 3.34Å; I354-L356 PolarHBondContact O-N 3.5Å; I354-L357 PolarHBondContact O-N 3.34Å; I354-L357 VanDerWaalsContact O-N 3.14Å; I354-F358 HydrophobicContact CD1-CD2 4.21Å; I354-F358 HydrophobicContact CD1-CE2 3.9Å; I354-F358 HydrophobicContact CG2-CD2 4.08Å; I354-F358 WeakPolarHBondContact O-CD2 3.37Å; I354-F358 PolarHBondContact O-N 3.39Å; I354-R360 WeakPolarHBondContact CG2-O 3.27Å; I354-L361 HydrophobicContact CB-CD1 4.06Å; I354-L361 HydrophobicContact CG1-CD1 4.49Å; I354-L361 HydrophobicContact CG2-CD1 3.68Å; I354-D365 HydrophobicContact CG2-CB 3.82Å; I354-V370 HydrophobicContact CD1-CG1 4.24Å; I354-I376 HydrophobicContact CD1-CD1 3.62Å; I354-I376 HydrophobicContact CD1-CG1 4Å; I354-I376 HydrophobicContact CD1-CG2 4.41Å
355P98Very high95.9Very high0 Ų018.1 Ų18.10%010%0.099CC..Hα-helixtrans-64.4-34.6178.224.8-35.1000113V297 A300 M301 Y304 M351 V352 L357 G359 R360V297-P355 HydrophobicContact CG1-CG 4.24Å; A300-P355 HydrophobicContact CB-CB 4.22Å; A300-P355 HydrophobicContact CB-CG 3.67Å; M301-P355 HydrophobicContact CG-CB 4.09Å; M301-P355 HydrophobicContact SD-CB 3.62Å; Y304-P355 VanDerWaalsContact CD2-O 3.24Å; Y304-P355 WeakPolarHBondContact CD2-O 3.17Å; M351-P355 WeakPolarHBondContact O-CD 3.45Å; M351-P355 VanDerWaalsContact O-CG 3.25Å; M351-P355 WeakPolarHBondContact O-CG 3.43Å; V352-P355 WeakPolarHBondContact O-CD 3.18Å; V352-P355 WeakPolarHBondContact O-CG 3.31Å; P355-L357 VanDerWaalsContact C-N 3.26Å; P355-L357 PolarHBondContact O-N 2.91Å; P355-G359 VanDerWaalsContact O-CA 3.3Å; P355-G359 WeakPolarHBondContact O-CA 3.15Å; P355-G359 PolarHBondContact O-N 3.13Å; P355-R360 WeakPolarHBondContact CA-O 3.49Å
356L98.3Very high96.1Very high2 Ų218.1 Ų18.11%0.0110%0.098CC..Hα-helixtrans-67-25.5174.7-70.1176.6000113.3A300 L303 Y304 M307 I317 V320 V352 A353 I354 L379 L409A300-L356 HydrophobicContact CB-CD2 4.34Å; A300-L356 HydrophobicContact CB-CG 4.21Å; L303-L356 HydrophobicContact CB-CD2 4.05Å; Y304-L356 WeakPolarHBondContact CD2-O 3.47Å; M307-L356 HydrophobicContact SD-CD2 4.28Å; I317-L356 HydrophobicContact CD1-CD1 4.26Å; V320-L356 HydrophobicContact CG2-CD1 4.36Å; V352-L356 HydrophobicContact CG1-CD1 3.78Å; V352-L356 HydrophobicContact CG1-CG 4.4Å; V352-L356 WeakPolarHBondContact O-CG 3.43Å; V352-L356 PolarHBondContact O-N 2.9Å; A353-L356 PolarHBondContact O-N 3.27Å; I354-L356 VanDerWaalsContact C-N 3.34Å; I354-L356 PolarHBondContact O-N 3.5Å; L356-L379 HydrophobicContact CB-CD2 4.01Å; L356-L379 HydrophobicContact CD1-CD2 4.4Å; L356-L409 HydrophobicContact CD1-CD2 4.14Å; L356-L409 HydrophobicContact CD2-CD1 4.11Å
357L97.8Very high96.3Very high25 Ų2521 Ų2113%0.13111%0.111CC..Hα-helixtrans-88.6-41.6177.5-80.1162.9000112.9A314 A353 I354 P355 R375 I376 L379A314-L357 HydrophobicContact CB-CD2 3.45Å; A314-L357 VanDerWaalsContact CB-CD2 3.45Å; A314-L357 HydrophobicContact CB-CG 4.03Å; A353-L357 WeakPolarHBondContact O-CB 3.19Å; A353-L357 WeakPolarHBondContact O-CD1 3.45Å; A353-L357 WeakPolarHBondContact O-CG 3.45Å; A353-L357 PolarHBondContact O-N 3.16Å; I354-L357 PolarHBondContact O-N 3.34Å; I354-L357 VanDerWaalsContact O-N 3.14Å; P355-L357 VanDerWaalsContact C-N 3.26Å; P355-L357 PolarHBondContact O-N 2.91Å; L357-R375 HydrophobicContact CD1-CB 4.32Å; L357-R375 HydrophobicContact CD2-CB 3.91Å; L357-I376 HydrophobicContact CD1-CB 4.31Å; L357-I376 HydrophobicContact CD1-CG1 3.71Å; L357-L379 HydrophobicContact CD1-CD2 4.2Å; L357-L379 HydrophobicContact CG-CD2 3.99Å
358F97Very high96.2Very high48 Ų4824.7 Ų24.721%0.21113%0.132CC..Hα-helixtrans-120.2-8-164.7-55.8-65.1000114.4I354 R360 V370 I376I354-F358 HydrophobicContact CD1-CD2 4.21Å; I354-F358 HydrophobicContact CD1-CE2 3.9Å; I354-F358 HydrophobicContact CG2-CD2 4.08Å; I354-F358 WeakPolarHBondContact O-CD2 3.37Å; I354-F358 PolarHBondContact O-N 3.39Å; F358-R360 HydrophobicContact CB-CG 4.06Å; F358-R360 PolarHBondContact O-N 3.03Å; F358-V370 HydrophobicContact CE2-CG1 4.34Å; F358-I376 HydrophobicContact CE2-CD1 4.29Å; F358-I376 HydrophobicContact CE2-CG1 4.34Å
359G96.8Very high96Very high22 Ų2230.6 Ų30.623%0.22716%0.163CC..SBendtrans64.228.1-176.900000113.9M301 Y304 P355M301-G359 WeakPolarHBondContact CE-O 3.18Å; Y304-G359 VanDerWaalsContact CD1-CA 3.48Å; P355-G359 VanDerWaalsContact O-CA 3.3Å; P355-G359 WeakPolarHBondContact O-CA 3.15Å; P355-G359 PolarHBondContact O-N 3.13Å
360R95.9Very high95.9Very high129 Ų12931.6 Ų31.649%0.48717%0.169SC..  trans-157164.8177.365.6177.8-175.7-117.21.6110.7I354 P355 F358 D365I354-R360 WeakPolarHBondContact CG2-O 3.27Å; P355-R360 WeakPolarHBondContact CA-O 3.49Å; F358-R360 HydrophobicContact CB-CG 4.06Å; F358-R360 PolarHBondContact O-N 3.03Å; R360-D365 IonicContact NE-OD1 3.88Å; R360-D365 IonicContact NE-OD2 3.62Å; R360-D365 IonicContact NH2-OD1 3.61Å
361L96.2Very high95.7Very high8 Ų832.2 Ų32.24%0.04218%0.175CC..  trans-145.1114161.4178.560.9000109.1F287 A289 V297 M351 I354 D365 Y366F287-L361 HydrophobicContact CB-CD2 4.22Å; F287-L361 HydrophobicContact CD1-CB 4.12Å; A289-L361 HydrophobicContact CB-CD2 4.12Å; V297-L361 HydrophobicContact CB-CD2 4.4Å; V297-L361 HydrophobicContact CG1-CB 4.17Å; V297-L361 HydrophobicContact CG1-CD2 3.72Å; V297-L361 HydrophobicContact CG2-CD2 3.72Å; M351-L361 HydrophobicContact CB-CD2 4.34Å; I354-L361 HydrophobicContact CB-CD1 4.06Å; I354-L361 HydrophobicContact CG1-CD1 4.49Å; I354-L361 HydrophobicContact CG2-CD1 3.68Å; L361-D365 HydrophobicContact CD1-CB 4.37Å; L361-Y366 HydrophobicContact CD1-CE1 4.48Å; L361-Y366 HydrophobicContact CD1-CE2 4.45Å
362T94.5Very high95.6Very high60 Ų6039.2 Ų39.237%0.36821%0.208SC..  trans-125.3163.8-179.670.10000110A364 D365T362-A364 PolarHBondContact O-N 2.99Å; T362-D365 WeakPolarHBondContact CA-OD2 3.43Å; T362-D365 WeakPolarHBondContact CB-OD2 3.4Å; T362-D365 PolarHBondContact N-OD2 2.89Å; T362-D365 WeakPolarHBondContact O-CB 3.33Å; T362-D365 PolarHBondContact O-N 2.95Å; T362-D365 PolarHBondContact OG1-OD2 3.47Å
363A92Very high95.5Very high7 Ų741.2 Ų41.26%0.05822%0.218CC..G310 helixtrans-66-25.3-177.800000112.4Y54 L99 P288 D365 Y366Y54-A363 VanDerWaalsContact OH-C 3.3Å; Y54-A363 WeakPolarHBondContact OH-CB 3.49Å; L99-A363 HydrophobicContact CD2-CB 4.08Å; P288-A363 HydrophobicContact CB-CB 4Å; P288-A363 HydrophobicContact CG-CB 3.86Å; A363-D365 VanDerWaalsContact C-N 3.26Å; A363-D365 PolarHBondContact O-N 2.88Å; A363-Y366 WeakPolarHBondContact O-CD2 3.33Å; A363-Y366 PolarHBondContact O-N 2.86Å
364A92.5Very high95.3Very high46 Ų4649.9 Ų49.938%0.3826%0.256SS..G310 helixtrans-69-21.8173.300000113.2Y54 T362 Y366 E367Y54-A364 PolarHBondContact OH-N 2.82Å; T362-A364 PolarHBondContact O-N 2.99Å; A364-Y366 PolarHBondContact O-N 3.28Å; A364-E367 WeakPolarHBondContact O-CB 3.49Å; A364-E367 PolarHBondContact O-N 2.97Å; A364-E367 VanDerWaalsContact O-N 3.11Å
365D96.2Very high95.3Very high3 Ų356.2 Ų56.22%0.01628%0.28CS..G310 helixtrans-72.5-7.7179.4-60.9-59000112.6Y350 I354 R360 L361 T362 A363 V370Y350-D365 WeakPolarHBondContact CE1-O 3.41Å; Y350-D365 PolarHBondContact OH-O 2.88Å; I354-D365 HydrophobicContact CG2-CB 3.82Å; R360-D365 IonicContact NE-OD1 3.88Å; R360-D365 IonicContact NE-OD2 3.62Å; R360-D365 IonicContact NH2-OD1 3.61Å; L361-D365 HydrophobicContact CD1-CB 4.37Å; T362-D365 WeakPolarHBondContact CA-OD2 3.43Å; T362-D365 WeakPolarHBondContact CB-OD2 3.4Å; T362-D365 PolarHBondContact N-OD2 2.89Å; T362-D365 WeakPolarHBondContact O-CB 3.33Å; T362-D365 PolarHBondContact O-N 2.95Å; T362-D365 PolarHBondContact OG1-OD2 3.47Å; A363-D365 VanDerWaalsContact C-N 3.26Å; A363-D365 PolarHBondContact O-N 2.88Å; D365-V370 HydrophobicContact CB-CG1 4.34Å
366Y94.3Very high95.3Very high11 Ų1156.2 Ų56.24%0.04328%0.28CS..G310 helixtrans-90.4-6.8171-57.5-70.5000113.7P288 P341 R344 D345 Y350 M351 L361 A363 A364P288-Y366 HydrophobicContact CG-CE2 4.39Å; P288-Y366 WeakPolarHBondContact O-CE2 3.39Å; P288-Y366 VanDerWaalsContact O-CZ 3.29Å; P288-Y366 PolarHBondContact O-OH 3.13Å; P341-Y366 WeakPolarHBondContact CG-O 3.43Å; R344-Y366 HydrophobicContact CB-CD1 3.65Å; R344-Y366 HydrophobicContact CB-CE1 4.43Å; R344-Y366 VanDerWaalsContact CD-O 3.27Å; R344-Y366 WeakPolarHBondContact CD-O 3.42Å; R344-Y366 PolarHBondContact NH1-O 2.84Å; D345-Y366 HydrophobicContact CB-CD1 4.3Å; D345-Y366 HydrophobicContact CB-CE1 4.02Å; Y350-Y366 HydrophobicContact CD1-CD1 4.06Å; Y350-Y366 HydrophobicContact CD1-CE1 4.11Å; Y350-Y366 AromaticContact CE1-CD1 3.79Å; Y350-Y366 HydrophobicContact CE1-CD1 3.79Å; Y350-Y366 HydrophobicContact CE1-CE1 4.2Å; M351-Y366 HydrophobicContact CG-CE1 4.04Å; L361-Y366 HydrophobicContact CD1-CE1 4.48Å; L361-Y366 HydrophobicContact CD1-CE2 4.45Å; A363-Y366 WeakPolarHBondContact O-CD2 3.33Å; A363-Y366 PolarHBondContact O-N 2.86Å; A364-Y366 PolarHBondContact O-N 3.28Å
367E93.9Very high95.1Very high73 Ų7359.6 Ų59.634%0.34130%0.298SS..SBendtrans-76.5156.8-179.3-64.5-64.4138.100111.8A364 N369 V370 A371A364-E367 WeakPolarHBondContact O-CB 3.49Å; A364-E367 PolarHBondContact O-N 2.97Å; A364-E367 VanDerWaalsContact O-N 3.11Å; E367-N369 VanDerWaalsContact C-N 3.25Å; E367-N369 VanDerWaalsContact CB-OD1 3.24Å; E367-N369 WeakPolarHBondContact CB-OD1 3.49Å; E367-N369 PolarHBondContact O-N 3.46Å; E367-V370 PolarHBondContact O-N 3.2Å; E367-V370 VanDerWaalsContact O-N 3.11Å; E367-A371 PolarHBondContact O-N 2.92Å
368D92.8Very high95Very high79 Ų7961 Ų6142%0.42231%0.313SS..Hα-helixtrans-61.5-31.4-170.9-70.4-22.7000113.6R344 V370 A371 Q372R344-D368 IonicContact CZ-OD1 3.1Å; R344-D368 IonicContact NH1-OD1 3.93Å; R344-D368 PolarHBondContact NH1-OD1 3.31Å; R344-D368 IonicContact NH2-OD1 3.66Å; R344-D368 PolarHBondContact NH2-OD1 3.37Å; D368-V370 VanDerWaalsContact C-N 3.28Å; D368-V370 PolarHBondContact O-N 3.48Å; D368-A371 PolarHBondContact O-N 3.05Å; D368-Q372 WeakPolarHBondContact O-CG 3.48Å; D368-Q372 PolarHBondContact O-N 2.97Å
369N93.1Very high95.1Very high124 Ų12459 Ų5966%0.66330%0.304SS*.Hα-helixtrans-64.4-31.3178.464.2-45.2000112.8E367E367-N369 VanDerWaalsContact C-N 3.25Å; E367-N369 VanDerWaalsContact CB-OD1 3.24Å; E367-N369 WeakPolarHBondContact CB-OD1 3.49Å; E367-N369 PolarHBondContact O-N 3.46Å
370V95Very high95.1Very high25 Ų2558.6 Ų58.615%0.15230%0.296CS..Hα-helixtrans-84.2-44.7173.9-179.60000109.9I354 F358 D365 E367 D368 Q372 D373 I376I354-V370 HydrophobicContact CD1-CG1 4.24Å; F358-V370 HydrophobicContact CE2-CG1 4.34Å; D365-V370 HydrophobicContact CB-CG1 4.34Å; E367-V370 PolarHBondContact O-N 3.2Å; E367-V370 VanDerWaalsContact O-N 3.11Å; D368-V370 VanDerWaalsContact C-N 3.28Å; D368-V370 PolarHBondContact O-N 3.48Å; V370-Q372 PolarHBondContact O-N 3.43Å; V370-Q372 VanDerWaalsContact O-N 3.11Å; V370-D373 WeakPolarHBondContact O-CB 3.18Å; V370-D373 PolarHBondContact O-N 3.32Å; V370-I376 HydrophobicContact CG1-CD1 4.15Å; V370-I376 WeakPolarHBondContact O-CD1 3.4Å
371A93.7Very high95.1Very high14 Ų1458.9 Ų58.912%0.11630%0.303CS..Hα-helixtrans-63.1-19.4-176.800000114.5Y350 E367 D368 D373Y350-A371 HydrophobicContact CE2-CB 4.31Å; E367-A371 PolarHBondContact O-N 2.92Å; D368-A371 PolarHBondContact O-N 3.05Å; A371-D373 PolarHBondContact O-N 3.39Å
372Q94.3Very high95.2Very high148 Ų14861.5 Ų61.569%0.69231%0.314SS*.THydrogen-bonded Turntrans-72.4-10.8174.1-76.916925.800113.9D368 V370 K374D368-Q372 WeakPolarHBondContact O-CG 3.48Å; D368-Q372 PolarHBondContact O-N 2.97Å; V370-Q372 PolarHBondContact O-N 3.43Å; V370-Q372 VanDerWaalsContact O-N 3.11Å; Q372-K374 PolarHBondContact O-N 2.87Å; Q372-K374 VanDerWaalsContact O-N 3.08Å
373D96.5Very high95.3Very high42 Ų4258.8 Ų58.823%0.22530%0.297CS..  trans-66.7108.4174.4-171.6-24.2000110.6V370 A371 R375 I376V370-D373 WeakPolarHBondContact O-CB 3.18Å; V370-D373 PolarHBondContact O-N 3.32Å; A371-D373 PolarHBondContact O-N 3.39Å; D373-R375 PolarHBondContact O-N 3.33Å; D373-R375 WeakPolarHBondContact OD1-CB 3.36Å; D373-R375 VanDerWaalsContact OD1-CG 3.25Å; D373-R375 WeakPolarHBondContact OD1-CG 3.17Å; D373-R375 PolarHBondContact OD1-N 3.07Å; D373-R375 IonicContact OD1-NE 2.7Å; D373-R375 PolarHBondContact OD1-NE 2.98Å; D373-R375 IonicContact OD2-CZ 2.65Å; D373-R375 IonicContact OD2-NE 2.81Å; D373-R375 PolarHBondContact OD2-NE 3.08Å; D373-R375 IonicContact OD2-NH2 3.69Å; D373-R375 PolarHBondContact OD2-NH2 2.83Å; D373-I376 HydrophobicContact CB-CD1 3.88Å; D373-I376 HydrophobicContact CB-CG1 4.18Å; D373-I376 WeakPolarHBondContact O-CB 3.45Å; D373-I376 PolarHBondContact O-N 2.95Å
374K95.3Very high95.6Very high181 Ų18160.7 Ų60.779%0.78731%0.306SS*.Hα-helixtrans-57.5-21.1-177.8-61.3-176.8-179.2179.40113.7Q372 I376 A378Q372-K374 PolarHBondContact O-N 2.87Å; Q372-K374 VanDerWaalsContact O-N 3.08Å; K374-I376 PolarHBondContact O-N 3.33Å; K374-A378 WeakPolarHBondContact O-CB 3.29Å; K374-A378 PolarHBondContact O-N 3.37Å; K374-A378 VanDerWaalsContact O-N 3.13Å
375R97.1Very high95.9Very high134 Ų13459.4 Ų59.451%0.50629%0.294SS..Hα-helixtrans-65.4-30.7176-60.8177.7-66.4171.1-0.7111.8L357 D373 L379L357-R375 HydrophobicContact CD1-CB 4.32Å; L357-R375 HydrophobicContact CD2-CB 3.91Å; D373-R375 PolarHBondContact O-N 3.33Å; D373-R375 WeakPolarHBondContact OD1-CB 3.36Å; D373-R375 VanDerWaalsContact OD1-CG 3.25Å; D373-R375 WeakPolarHBondContact OD1-CG 3.17Å; D373-R375 PolarHBondContact OD1-N 3.07Å; D373-R375 IonicContact OD1-NE 2.7Å; D373-R375 PolarHBondContact OD1-NE 2.98Å; D373-R375 IonicContact OD2-CZ 2.65Å; D373-R375 IonicContact OD2-NE 2.81Å; D373-R375 PolarHBondContact OD2-NE 3.08Å; D373-R375 IonicContact OD2-NH2 3.69Å; D373-R375 PolarHBondContact OD2-NH2 2.83Å; R375-L379 WeakPolarHBondContact O-CB 3.4Å; R375-L379 PolarHBondContact O-N 3.01Å
376I97.4Very high96Very high0 Ų064.5 Ų64.50%032%0.316CS..Hα-helixtrans-64.3-54.9179.4-62.1166.9000109.5Y350 A353 I354 L357 F358 V370 D373 K374 A378 L379 R380Y350-I376 HydrophobicContact CD2-CG2 3.75Å; Y350-I376 HydrophobicContact CE2-CG2 3.65Å; A353-I376 HydrophobicContact CB-CG2 4.35Å; I354-I376 HydrophobicContact CD1-CD1 3.62Å; I354-I376 HydrophobicContact CD1-CG1 4Å; I354-I376 HydrophobicContact CD1-CG2 4.41Å; L357-I376 HydrophobicContact CD1-CB 4.31Å; L357-I376 HydrophobicContact CD1-CG1 3.71Å; F358-I376 HydrophobicContact CE2-CD1 4.29Å; F358-I376 HydrophobicContact CE2-CG1 4.34Å; V370-I376 HydrophobicContact CG1-CD1 4.15Å; V370-I376 WeakPolarHBondContact O-CD1 3.4Å; D373-I376 HydrophobicContact CB-CD1 3.88Å; D373-I376 HydrophobicContact CB-CG1 4.18Å; D373-I376 WeakPolarHBondContact O-CB 3.45Å; D373-I376 PolarHBondContact O-N 2.95Å; K374-I376 PolarHBondContact O-N 3.33Å; I376-A378 VanDerWaalsContact C-N 3.34Å; I376-A378 PolarHBondContact O-N 3.47Å; I376-L379 PolarHBondContact O-N 2.91Å; I376-L379 VanDerWaalsContact O-N 3.15Å; I376-R380 HydrophobicContact CG2-CG 4.36Å; I376-R380 VanDerWaalsContact O-CG 3.29Å; I376-R380 WeakPolarHBondContact O-CG 3.31Å; I376-R380 PolarHBondContact O-N 3.17Å
377D95.5Very high96.1Very high73 Ų7368.7 Ų68.739%0.3934%0.336SS..Hα-helixtrans-64.7-39.4-179.7-73.1-19.4000111.9L379 R380 E381D377-L379 VanDerWaalsContact C-N 3.27Å; D377-L379 PolarHBondContact O-N 2.86Å; D377-R380 PolarHBondContact O-N 3.27Å; D377-R380 IonicContact OD1-CZ 2.78Å; D377-R380 IonicContact OD1-NH1 3.47Å; D377-R380 PolarHBondContact OD1-NH1 3.29Å; D377-E381 WeakPolarHBondContact O-CG 3.44Å; D377-E381 PolarHBondContact O-N 3.4Å; D377-E381 VanDerWaalsContact O-N 3.13Å
378A95.7Very high96.3Very high55 Ų5566.4 Ų66.446%0.45533%0.327SS..Hα-helixtrans-60.9-34.8174.700000112.9K374 I376K374-A378 WeakPolarHBondContact O-CB 3.29Å; K374-A378 PolarHBondContact O-N 3.37Å; K374-A378 VanDerWaalsContact O-N 3.13Å; I376-A378 VanDerWaalsContact C-N 3.34Å; I376-A378 PolarHBondContact O-N 3.47Å
379L97.6Very high96.5Very high4 Ų467.2 Ų67.22%0.02134%0.336CS..Hα-helixtrans-77.5-38.7175.1-17757.4000111.7A314 I317 V320 A353 L356 L357 R375 I376 D377 E381 K382 I383A314-L379 HydrophobicContact CB-CD2 4.26Å; I317-L379 HydrophobicContact CB-CD1 4.27Å; I317-L379 HydrophobicContact CD1-CD1 4Å; I317-L379 HydrophobicContact CG2-CD1 4.05Å; V320-L379 HydrophobicContact CG2-CD1 4.3Å; A353-L379 HydrophobicContact CB-CB 4.29Å; A353-L379 HydrophobicContact CB-CD2 3.89Å; A353-L379 HydrophobicContact CB-CG 4.1Å; L356-L379 HydrophobicContact CB-CD2 4.01Å; L356-L379 HydrophobicContact CD1-CD2 4.4Å; L357-L379 HydrophobicContact CD1-CD2 4.2Å; L357-L379 HydrophobicContact CG-CD2 3.99Å; R375-L379 WeakPolarHBondContact O-CB 3.4Å; R375-L379 PolarHBondContact O-N 3.01Å; I376-L379 PolarHBondContact O-N 2.91Å; I376-L379 VanDerWaalsContact O-N 3.15Å; D377-L379 VanDerWaalsContact C-N 3.27Å; D377-L379 PolarHBondContact O-N 2.86Å; L379-E381 VanDerWaalsContact C-N 3.28Å; L379-E381 PolarHBondContact O-N 3.44Å; L379-K382 HydrophobicContact CD1-CD 4.38Å; L379-K382 WeakPolarHBondContact O-CA 3.28Å; L379-K382 WeakPolarHBondContact O-CB 3.4Å; L379-K382 PolarHBondContact O-N 3.07Å; L379-I383 HydrophobicContact CG-CD1 4.42Å; L379-I383 WeakPolarHBondContact O-CG1 3.36Å; L379-I383 PolarHBondContact O-N 3.42Å
380R97.4Very high96.7Very high15 Ų1565.5 Ų65.56%0.05733%0.33CS..Hα-helixtrans-56.1-41.3176.7-74.517259.9-144.8-8.1112.6G336 Q349 A353 I376 D377 K382 I383G336-R380 PolarHBondContact O-NH2 3.49Å; Q349-R380 HydrophobicContact CB-CB 4.08Å; Q349-R380 HydrophobicContact CB-CG 3.92Å; A353-R380 HydrophobicContact CB-CG 4.1Å; I376-R380 HydrophobicContact CG2-CG 4.36Å; I376-R380 VanDerWaalsContact O-CG 3.29Å; I376-R380 WeakPolarHBondContact O-CG 3.31Å; I376-R380 PolarHBondContact O-N 3.17Å; D377-R380 PolarHBondContact O-N 3.27Å; D377-R380 IonicContact OD1-CZ 2.78Å; D377-R380 IonicContact OD1-NH1 3.47Å; D377-R380 PolarHBondContact OD1-NH1 3.29Å; R380-K382 PolarHBondContact O-N 3.22Å; R380-K382 VanDerWaalsContact O-N 3.14Å; R380-I383 PolarHBondContact O-N 2.85Å
381E96.4Very high96.8Very high134 Ų13465 Ų6563%0.62633%0.326SS*.THydrogen-bonded Turntrans-62.7-17.7176.6-68.4-59.5143.200113.5D377 L379D377-E381 WeakPolarHBondContact O-CG 3.44Å; D377-E381 PolarHBondContact O-N 3.4Å; D377-E381 VanDerWaalsContact O-N 3.13Å; L379-E381 VanDerWaalsContact C-N 3.28Å; L379-E381 PolarHBondContact O-N 3.44Å
382K97.3Very high96.8Very high64 Ų6465.5 Ų65.528%0.27833%0.327SS..THydrogen-bonded Turntrans-92.5-9.1176.5-56.9174.4-179.1-178.20113.3I317 V320 L379 R380 N384I317-K382 WeakPolarHBondContact O-CD 3.4Å; I317-K382 PolarHBondContact O-NZ 3.36Å; V320-K382 PolarHBondContact N-O 2.97Å; L379-K382 HydrophobicContact CD1-CD 4.38Å; L379-K382 WeakPolarHBondContact O-CA 3.28Å; L379-K382 WeakPolarHBondContact O-CB 3.4Å; L379-K382 PolarHBondContact O-N 3.07Å; R380-K382 PolarHBondContact O-N 3.22Å; R380-K382 VanDerWaalsContact O-N 3.14Å; K382-N384 PolarHBondContact O-ND2 3.41Å
383I98.2Very high96.7Very high2 Ų261.2 Ų61.21%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-94.6120.3-176.5-58.3167.3000110.5V320 I322 Q349 V352 A353 L379 R380V320-I383 HydrophobicContact CB-CB 4.26Å; V320-I383 HydrophobicContact CB-CG1 3.73Å; V320-I383 HydrophobicContact CB-CG2 4.42Å; V320-I383 HydrophobicContact CG1-CG1 4.1Å; V320-I383 HydrophobicContact CG1-CG2 4.28Å; V320-I383 HydrophobicContact CG2-CG1 3.94Å; V320-I383 WeakPolarHBondContact O-CA 3.41Å; I322-I383 HydrophobicContact CD1-CG2 3.43Å; I322-I383 VanDerWaalsContact CD1-CG2 3.43Å; I322-I383 HydrophobicContact CG1-CG2 3.92Å; Q349-I383 HydrophobicContact CB-CB 4.19Å; Q349-I383 HydrophobicContact CB-CD1 4.17Å; Q349-I383 HydrophobicContact CB-CG2 4.34Å; Q349-I383 HydrophobicContact CG-CB 3.8Å; Q349-I383 HydrophobicContact CG-CG2 3.82Å; Q349-I383 WeakPolarHBondContact O-CD1 3.28Å; V352-I383 HydrophobicContact CB-CD1 4.25Å; V352-I383 HydrophobicContact CG1-CD1 4.08Å; A353-I383 HydrophobicContact CB-CD1 4.1Å; L379-I383 HydrophobicContact CG-CD1 4.42Å; L379-I383 WeakPolarHBondContact O-CG1 3.36Å; L379-I383 PolarHBondContact O-N 3.42Å; R380-I383 PolarHBondContact O-N 2.85Å
384N97.9Very high96.5Very high48 Ų4860.3 Ų60.326%0.25731%0.312SS..EExtended strand (participates in β ladder)trans-124.2132.6-179.2-63.9-81.9000111.3V320 I322 K382 F386V320-N384 PolarHBondContact O-N 3.41Å; I322-N384 PolarHBondContact N-O 3.37Å; K382-N384 PolarHBondContact O-ND2 3.41Å; N384-F386 HydrophobicContact CB-CE2 3.78Å; N384-F386 HydrophobicContact CB-CZ 4.15Å
385C98.1Very high96.3Very high18 Ų1852 Ų5212%0.12228%0.276CS..EExtended strand (participates in β ladder)trans-101.4143179.9-63.80000111.6I322 T324 D333 I348I322-C385 CarbonylContact O-C 3.57Å; I322-C385 VanDerWaalsContact O-CA 3.25Å; I322-C385 WeakPolarHBondContact O-CA 3.45Å; T324-C385 HydrophobicContact CG2-CB 4.41Å; D333-C385 HydrophobicContact CB-CB 4.4Å; I348-C385 VanDerWaalsContact CG2-SG 3.54Å
386F97.6Very high95.6Very high110 Ų11050.9 Ų50.948%0.48228%0.276SS..EExtended strand (participates in β ladder)trans-137.2137.6178.2-60.7-88.3000110.3T321 I322 R323 T324 N384T321-F386 HydrophobicContact CG2-CD2 3.72Å; T321-F386 HydrophobicContact CG2-CE2 3.79Å; I322-F386 PolarHBondContact O-N 3.4Å; R323-F386 WeakPolarHBondContact CA-O 3.44Å; T324-F386 PolarHBondContact N-O 3.21Å; N384-F386 HydrophobicContact CB-CE2 3.78Å; N384-F386 HydrophobicContact CB-CZ 4.15Å
387E97.7Very high95.1Very high99 Ų9953.5 Ų53.546%0.46329%0.291SS..EExtended strand (participates in β ladder)trans-73.7132.9176.9-163.1-174.5162.600110.6T324 I329 T392T324-E387 CarbonylContact O-C 3.55Å; T324-E387 WeakPolarHBondContact O-CA 3.19Å; I329-E387 HydrophobicContact CD1-CB 3.46Å; I329-E387 VanDerWaalsContact CD1-CB 3.46Å; I329-E387 HydrophobicContact CD1-CG 4.08Å; E387-T392 PolarHBondContact OE1-OG1 2.9Å
388D97.9Very high94.3Very high26 Ų2652.3 Ų52.314%0.13929%0.287CS..  trans-105.6114.7161.6-168.6-45000109.5R323 T324 V390 F391 T392R323-D388 WeakPolarHBondContact CD-OD2 3.27Å; R323-D388 HydrophobicContact CG-CB 3.64Å; R323-D388 IonicContact CZ-OD2 2.63Å; R323-D388 IonicContact NE-OD2 3.85Å; R323-D388 IonicContact NH1-OD2 2.62Å; R323-D388 PolarHBondContact NH1-OD2 2.88Å; T324-D388 PolarHBondContact O-N 3.32Å; D388-V390 PolarHBondContact O-N 3.36Å; D388-V390 VanDerWaalsContact O-N 3.17Å; D388-V390 WeakPolarHBondContact OD1-CA 3.42Å; D388-V390 VanDerWaalsContact OD1-CB 3.26Å; D388-V390 WeakPolarHBondContact OD1-CB 3.49Å; D388-V390 PolarHBondContact OD1-N 2.96Å; D388-F391 HydrophobicContact CB-CB 4.02Å; D388-F391 HydrophobicContact CB-CD1 4.49Å; D388-F391 HydrophobicContact CB-CD2 3.82Å; D388-F391 HydrophobicContact CB-CE2 4.49Å; D388-F391 HydrophobicContact CB-CG 3.83Å; D388-F391 PolarHBondContact O-N 3.46Å; D388-T392 PolarHBondContact O-N 2.97Å; D388-T392 PolarHBondContact O-OG1 3.02Å
389P97Very high93.8Very high96 Ų9657.1 Ų57.162%0.62330%0.3SS*.Hα-helixtrans-58-28.3178.6-26.635.4000114.4A393P389-A393 WeakPolarHBondContact O-CB 3.47Å; P389-A393 PolarHBondContact O-N 3.17Å
390V97.2Very high93.4Very high88 Ų8859.9 Ų59.953%0.53331%0.312SS..Hα-helixtrans-71.4-42.2176.2-177.40000110.2D388 T392 A393 D394D388-V390 PolarHBondContact O-N 3.36Å; D388-V390 VanDerWaalsContact O-N 3.17Å; D388-V390 WeakPolarHBondContact OD1-CA 3.42Å; D388-V390 VanDerWaalsContact OD1-CB 3.26Å; D388-V390 WeakPolarHBondContact OD1-CB 3.49Å; D388-V390 PolarHBondContact OD1-N 2.96Å; V390-T392 VanDerWaalsContact C-N 3.32Å; V390-T392 PolarHBondContact O-N 2.89Å; V390-A393 PolarHBondContact O-N 3.47Å; V390-D394 WeakPolarHBondContact O-CB 3.32Å; V390-D394 PolarHBondContact O-N 3.24Å
391F96.8Very high92.8Very high14 Ų1460.3 Ų60.36%0.06131%0.313CS..Hα-helixtrans-64.5-38.7174.9-66.5-6.6000111.2R323 H325 D388 D394 Y395 A404 A406 V421R323-F391 HydrophobicContact CG-CE2 4.25Å; H325-F391 HydrophobicContact CB-CB 3.97Å; D388-F391 HydrophobicContact CB-CB 4.02Å; D388-F391 HydrophobicContact CB-CD1 4.49Å; D388-F391 HydrophobicContact CB-CD2 3.82Å; D388-F391 HydrophobicContact CB-CE2 4.49Å; D388-F391 HydrophobicContact CB-CG 3.83Å; D388-F391 PolarHBondContact O-N 3.46Å; F391-D394 PolarHBondContact O-N 3.06Å; F391-Y395 WeakPolarHBondContact O-CB 3.49Å; F391-Y395 PolarHBondContact O-N 3.26Å; F391-A404 HydrophobicContact CB-CB 4.04Å; F391-A404 HydrophobicContact CD1-CB 3.5Å; F391-A404 HydrophobicContact CD2-CB 3.65Å; F391-A404 HydrophobicContact CE1-CB 3.69Å; F391-A404 HydrophobicContact CE2-CB 3.84Å; F391-A404 HydrophobicContact CG-CB 3.47Å; F391-A404 VanDerWaalsContact CG-CB 3.47Å; F391-A404 HydrophobicContact CZ-CB 3.85Å; F391-A406 HydrophobicContact CE2-CB 4.13Å; F391-A406 HydrophobicContact CZ-CB 4.34Å; F391-V421 HydrophobicContact CZ-CG1 3.98Å
392T94.2Very high92.6Very high24 Ų2453.9 Ų53.915%0.14728%0.283CS..Hα-helixtrans-61.5-43.3172.7-620000111.9E326 E387 D388 V390 H396E326-T392 HydrophobicContact CB-CG2 3.91Å; E326-T392 PolarHBondContact N-OG1 3.14Å; E387-T392 PolarHBondContact OE1-OG1 2.9Å; D388-T392 PolarHBondContact O-N 2.97Å; D388-T392 PolarHBondContact O-OG1 3.02Å; V390-T392 VanDerWaalsContact C-N 3.32Å; V390-T392 PolarHBondContact O-N 2.89Å; T392-H396 PolarHBondContact O-CD2 2.9Å; T392-H396 PolarHBondContact O-N 2.94Å
393A92.3Very high92.4Very high58 Ų5850.9 Ų50.948%0.47927%0.27SS..Hα-helixtrans-64.4-46177.300000112P389 V390 Y395 H396 D397P389-A393 WeakPolarHBondContact O-CB 3.47Å; P389-A393 PolarHBondContact O-N 3.17Å; V390-A393 PolarHBondContact O-N 3.47Å; A393-Y395 VanDerWaalsContact C-N 3.28Å; A393-Y395 PolarHBondContact O-N 3.11Å; A393-H396 PolarHBondContact O-N 3.03Å; A393-H396 VanDerWaalsContact O-N 3.16Å; A393-D397 PolarHBondContact O-N 3.31Å
394D92.8Very high92.3Very high23 Ų2350.9 Ų50.912%0.12327%0.27CS..Hα-helixtrans-69.1-24.8-178.7-76.30.2000113.4V390 F391 K400 R401 A402V390-D394 WeakPolarHBondContact O-CB 3.32Å; V390-D394 PolarHBondContact O-N 3.24Å; F391-D394 PolarHBondContact O-N 3.06Å; D394-K400 HydrophobicContact CB-CD 3.84Å; D394-K400 WeakPolarHBondContact O-CB 3.19Å; D394-K400 WeakPolarHBondContact OD1-CD 3.38Å; D394-K400 IonicContact OD1-NZ 2.69Å; D394-K400 PolarHBondContact OD1-NZ 3.4Å; D394-K400 IonicContact OD2-NZ 3.23Å; D394-K400 PolarHBondContact OD2-NZ 2.97Å; D394-R401 PolarHBondContact O-N 3.19Å; D394-A402 HydrophobicContact CB-CB 4.09Å; D394-A402 PolarHBondContact O-N 3.41Å; D394-A402 VanDerWaalsContact O-N 3.1Å
395Y89.4Confident92.3Very high8 Ų848.6 Ų48.63%0.03126%0.258CS..Hα-helixtrans-65.6-39.3171.1176.1-95.8000112.3L106 W110 H292 H325 A327 F391 A393 A402 I403L106-Y395 HydrophobicContact CD1-CE2 4.02Å; L106-Y395 HydrophobicContact CD2-CE2 4.04Å; L106-Y395 HydrophobicContact CG-CE2 4.47Å; W110-Y395 VanDerWaalsContact CD1-OH 3.25Å; W110-Y395 PolarHBondContact NE1-OH 3.01Å; W110-Y395 VanDerWaalsContact NE1-OH 3.14Å; H292-Y395 AromaticContact CD2-CE2 3.84Å; H292-Y395 AromaticContact NE2-CE2 3.88Å; H292-Y395 AromaticContact NE2-CZ 3.74Å; H292-Y395 PolarHBondContact NE2-OH 3.05Å; H292-Y395 VanDerWaalsContact NE2-OH 3.1Å; H325-Y395 AromaticContact CD2-CD2 3.66Å; H325-Y395 AromaticContact CD2-CG 3.87Å; H325-Y395 AromaticContact NE2-CD2 3.82Å; A327-Y395 HydrophobicContact CB-CD1 4.48Å; A327-Y395 HydrophobicContact CB-CE1 3.97Å; F391-Y395 WeakPolarHBondContact O-CB 3.49Å; F391-Y395 PolarHBondContact O-N 3.26Å; A393-Y395 VanDerWaalsContact C-N 3.28Å; A393-Y395 PolarHBondContact O-N 3.11Å; Y395-A402 VanDerWaalsContact CA-O 3.25Å; Y395-A402 WeakPolarHBondContact CA-O 3.36Å; Y395-A402 WeakPolarHBondContact CD2-O 3.48Å; Y395-I403 HydrophobicContact CD2-CG1 4.36Å; Y395-I403 HydrophobicContact CE2-CG1 4.41Å
396H84.1Confident92.3Very high109 Ų10947.7 Ų47.751%0.50525%0.252SS..Hα-helixtrans-87.9-17.2-179-73.1-61.4000114.3T392 A393 P398T392-H396 PolarHBondContact O-CD2 2.9Å; T392-H396 PolarHBondContact O-N 2.94Å; A393-H396 PolarHBondContact O-N 3.03Å; A393-H396 VanDerWaalsContact O-N 3.16Å; H396-P398 VanDerWaalsContact O-CD 3.24Å; H396-P398 WeakPolarHBondContact O-CD 3.24Å
397D85.8Confident92.4Very high56 Ų5642.5 Ų42.530%0.29923%0.229SC..  trans-64.6115176.5-179.5-13.6000110.6A393 E399 K400 R401A393-D397 PolarHBondContact O-N 3.31Å; D397-E399 PolarHBondContact O-N 3.13Å; D397-E399 VanDerWaalsContact O-N 3.12Å; D397-E399 WeakPolarHBondContact OD1-CB 3.32Å; D397-E399 PolarHBondContact OD1-N 2.95Å; D397-K400 HydrophobicContact CB-CB 4.1Å; D397-K400 HydrophobicContact CB-CD 4.46Å; D397-K400 HydrophobicContact CB-CG 4.38Å; D397-K400 PolarHBondContact O-N 3.15Å; D397-R401 WeakPolarHBondContact O-CG 3.49Å; D397-R401 PolarHBondContact O-N 2.69Å
398P79.4Confident92.4Very high48 Ų4838 Ų3831%0.31221%0.209SC..THydrogen-bonded Turntrans-58.9-24.5-178.4-24.435.1000115H396 R401H396-P398 VanDerWaalsContact O-CD 3.24Å; H396-P398 WeakPolarHBondContact O-CD 3.24Å; P398-R401 PolarHBondContact O-NE 3.04Å
399E84.5Confident92.4Very high155 Ų15536.7 Ų36.772%0.72420%0.202SC*.THydrogen-bonded Turntrans-84.5-25.5179-63.4-60.5128.900112.1D397 R430D397-E399 PolarHBondContact O-N 3.13Å; D397-E399 VanDerWaalsContact O-N 3.12Å; D397-E399 WeakPolarHBondContact OD1-CB 3.32Å; D397-E399 PolarHBondContact OD1-N 2.95Å; E399-R430 PolarHBondContact O-NH2 2.94Å
400K88.6Confident92.5Very high63 Ų6335 Ų3527%0.27419%0.185SC..THydrogen-bonded Turntrans-97.2-62.3178.2-68.5-176.5177.8-175.40111.9D394 D397 A402 Y424 H428D394-K400 HydrophobicContact CB-CD 3.84Å; D394-K400 WeakPolarHBondContact O-CB 3.19Å; D394-K400 WeakPolarHBondContact OD1-CD 3.38Å; D394-K400 IonicContact OD1-NZ 2.69Å; D394-K400 PolarHBondContact OD1-NZ 3.4Å; D394-K400 IonicContact OD2-NZ 3.23Å; D394-K400 PolarHBondContact OD2-NZ 2.97Å; D397-K400 HydrophobicContact CB-CB 4.1Å; D397-K400 HydrophobicContact CB-CD 4.46Å; D397-K400 HydrophobicContact CB-CG 4.38Å; D397-K400 PolarHBondContact O-N 3.15Å; K400-A402 PolarHBondContact O-N 3.3Å; K400-Y424 WeakPolarHBondContact O-CE1 3.27Å; K400-H428 PolarHBondContact O-CE1 3.06Å; K400-H428 PolarHBondContact O-NE2 2.89Å
401R86.8Confident92.6Very high23 Ų2330.8 Ų30.89%0.08716%0.16CC..  trans48.941.3-170.6-61.5174.6176.8-91.57112L106 Y276 D394 D397 P398 H428L106-R401 HydrophobicContact CD1-CB 4.43Å; L106-R401 PolarHBondContact O-NH1 2.8Å; Y276-R401 PolarHBondContact OH-NE 3.36Å; Y276-R401 PolarHBondContact OH-NH2 3.08Å; D394-R401 PolarHBondContact O-N 3.19Å; D397-R401 WeakPolarHBondContact O-CG 3.49Å; D397-R401 PolarHBondContact O-N 2.69Å; P398-R401 PolarHBondContact O-NE 3.04Å; R401-H428 PolarHBondContact O-NE2 3.32Å
402A91.4Very high92.6Very high0 Ų034.4 Ų34.40%018%0.183CC..  trans-70.3146.9-178.100000110.2D394 Y395 K400 Y424D394-A402 HydrophobicContact CB-CB 4.09Å; D394-A402 PolarHBondContact O-N 3.41Å; D394-A402 VanDerWaalsContact O-N 3.1Å; Y395-A402 VanDerWaalsContact CA-O 3.25Å; Y395-A402 WeakPolarHBondContact CA-O 3.36Å; Y395-A402 WeakPolarHBondContact CD2-O 3.48Å; K400-A402 PolarHBondContact O-N 3.3Å; A402-Y424 HydrophobicContact CB-CD1 4.21Å; A402-Y424 HydrophobicContact CB-CE1 3.58Å
403I92Very high92.7Very high0 Ų038 Ų380%020%0.202CC..  trans-119.367.6172.5-56.6168.4000105.5L106 F291 T295 Y395 N405 E423 P425L106-I403 HydrophobicContact CD1-CD1 3.62Å; L106-I403 HydrophobicContact CD1-CG1 3.65Å; L106-I403 HydrophobicContact CD2-CD1 4.25Å; L106-I403 HydrophobicContact CG-CD1 4.41Å; F291-I403 HydrophobicContact CD1-CD1 3.08Å; F291-I403 HydrophobicContact CE1-CD1 3.06Å; F291-I403 HydrophobicContact CG-CD1 4.19Å; F291-I403 HydrophobicContact CZ-CD1 4.15Å; T295-I403 VanDerWaalsContact CB-O 3.32Å; T295-I403 WeakPolarHBondContact CB-O 3.35Å; T295-I403 WeakPolarHBondContact CG2-O 3.36Å; T295-I403 PolarHBondContact OG1-O 3.19Å; Y395-I403 HydrophobicContact CD2-CG1 4.36Å; Y395-I403 HydrophobicContact CE2-CG1 4.41Å; I403-N405 PolarHBondContact O-N 2.87Å; I403-E423 CarbonylContact C-O 3.59Å; I403-E423 PolarHBondContact N-O 3.17Å; I403-P425 HydrophobicContact CD1-CG 4.41Å
404A96.6Very high92.8Very high2 Ų238.5 Ų38.52%0.01721%0.212CC..  trans-75133.3-171.300000111.1H325 F391 V422 E423H325-A404 PolarHBondContact ND1-O 2.87Å; F391-A404 HydrophobicContact CB-CB 4.04Å; F391-A404 HydrophobicContact CD1-CB 3.5Å; F391-A404 HydrophobicContact CD2-CB 3.65Å; F391-A404 HydrophobicContact CE1-CB 3.69Å; F391-A404 HydrophobicContact CE2-CB 3.84Å; F391-A404 HydrophobicContact CG-CB 3.47Å; F391-A404 VanDerWaalsContact CG-CB 3.47Å; F391-A404 HydrophobicContact CZ-CB 3.85Å; A404-V422 WeakPolarHBondContact CA-O 3.33Å; A404-E423 HydrophobicContact CB-CB 4.46Å; A404-E423 HydrophobicContact CB-CG 4.24Å
405N98.2Very high93Very high0 Ų040.2 Ų40.20%022%0.224CC..EExtended strand (participates in β ladder)trans-134.9142.4167.2-74.9-79.4000108.5H292 T295 A296 R323 T324 I403 V422H292-N405 PolarHBondContact O-ND2 3.28Å; T295-N405 PolarHBondContact OG1-ND2 3.24Å; A296-N405 HydrophobicContact CB-CB 3.82Å; R323-N405 CarbonylContact O-C 3.52Å; R323-N405 WeakPolarHBondContact O-CA 3.45Å; T324-N405 WeakPolarHBondContact CB-OD1 3.45Å; T324-N405 PolarHBondContact OG1-OD1 2.67Å; I403-N405 PolarHBondContact O-N 2.87Å; N405-V422 PolarHBondContact N-O 2.97Å; N405-V422 VanDerWaalsContact N-O 3.12Å; N405-V422 PolarHBondContact O-N 3.31Å
406A98.4Very high93.4Very high0 Ų047.5 Ų47.50%025%0.251CS..EExtended strand (participates in β ladder)trans-129.9129.3175.500000110I322 R323 F391 E419 V420 V421I322-A406 CarbonylContact C-O 3.47Å; I322-A406 VanDerWaalsContact CA-O 3.31Å; I322-A406 WeakPolarHBondContact CA-O 3.36Å; R323-A406 HydrophobicContact CB-CB 4.24Å; R323-A406 PolarHBondContact N-O 2.91Å; R323-A406 PolarHBondContact O-N 3.06Å; F391-A406 HydrophobicContact CE2-CB 4.13Å; F391-A406 HydrophobicContact CZ-CB 4.34Å; A406-E419 HydrophobicContact CB-CG 3.88Å; A406-V420 CarbonylContact C-O 3.49Å; A406-V420 VanDerWaalsContact CA-O 3.28Å; A406-V420 WeakPolarHBondContact CA-O 3.09Å; A406-V421 HydrophobicContact CB-CB 4.26Å; A406-V421 HydrophobicContact CB-CG1 4.25Å; A406-V421 HydrophobicContact CB-CG2 3.77Å
407I98.7Very high94Very high0 Ų043.9 Ų43.90%023%0.234CC..EExtended strand (participates in β ladder)trans-118.5130.6-175.7-53.6-172000110.4A296 A299 A300 L303 V320 T321 I322 V352 L409 V420A296-I407 HydrophobicContact CB-CD1 4.17Å; A296-I407 WeakPolarHBondContact O-CD1 3.47Å; A299-I407 HydrophobicContact CB-CB 4.29Å; A299-I407 HydrophobicContact CB-CD1 3.9Å; A299-I407 HydrophobicContact CB-CG1 3.91Å; A300-I407 HydrophobicContact CB-CD1 4.26Å; L303-I407 HydrophobicContact CD1-CB 3.6Å; L303-I407 HydrophobicContact CD1-CG2 3.35Å; V320-I407 HydrophobicContact CG1-CG2 3.73Å; T321-I407 WeakPolarHBondContact O-CA 3.34Å; I322-I407 HydrophobicContact CG1-CD1 4.45Å; I322-I407 HydrophobicContact CG1-CG1 4.21Å; V352-I407 HydrophobicContact CG1-CD1 4.09Å; V352-I407 HydrophobicContact CG2-CD1 4.02Å; I407-L409 HydrophobicContact CG2-CD2 4.27Å; I407-V420 PolarHBondContact N-O 3.44Å; I407-V420 PolarHBondContact O-N 2.84Å
408T98.5Very high94.6Very high4 Ų449.3 Ų49.33%0.02526%0.258CS..EExtended strand (participates in β ladder)trans-116.8133170.5-64.60000109.9V320 T321 E410 R416 E419V320-T408 WeakPolarHBondContact CA-O 3.25Å; T321-T408 PolarHBondContact N-O 2.9Å; T321-T408 PolarHBondContact O-N 2.83Å; T408-E410 HydrophobicContact CG2-CG 4.41Å; T408-R416 HydrophobicContact CG2-CG 4.05Å; T408-E419 WeakPolarHBondContact OG1-CB 3.39Å; T408-E419 WeakPolarHBondContact OG1-CG 3.29Å
409L98.5Very high95.5Very high0 Ų050.3 Ų50.30%026%0.258CS..EExtended strand (participates in β ladder)trans-105.7130.3170.7-57.2-174.3000111.2L303 M307 I317 V320 L356 I407 F411 R416 F417L303-L409 HydrophobicContact CB-CD1 3.89Å; L303-L409 HydrophobicContact CB-CG 4.49Å; L303-L409 HydrophobicContact CD1-CD1 4.23Å; L303-L409 HydrophobicContact CD1-CD2 4.32Å; L303-L409 HydrophobicContact CD1-CG 3.93Å; L303-L409 HydrophobicContact CD2-CD1 4.06Å; L303-L409 HydrophobicContact CD2-CG 4.06Å; L303-L409 HydrophobicContact CG-CD1 4.29Å; L303-L409 HydrophobicContact CG-CG 4.39Å; M307-L409 HydrophobicContact CG-CD1 4.07Å; M307-L409 HydrophobicContact SD-CD1 3.44Å; M307-L409 WeakPolarHBondContact SD-CD1 3.42Å; I317-L409 HydrophobicContact CD1-CD1 4.38Å; I317-L409 HydrophobicContact CD1-CD2 4.38Å; V320-L409 HydrophobicContact CB-CD2 4.17Å; V320-L409 HydrophobicContact CG1-CD2 3.85Å; V320-L409 HydrophobicContact CG2-CD2 3.63Å; L356-L409 HydrophobicContact CD1-CD2 4.14Å; L356-L409 HydrophobicContact CD2-CD1 4.11Å; I407-L409 HydrophobicContact CG2-CD2 4.27Å; L409-F411 HydrophobicContact CB-CE2 4.04Å; L409-F411 HydrophobicContact CB-CZ 3.93Å; L409-F411 HydrophobicContact CD1-CZ 4.05Å; L409-R416 WeakPolarHBondContact O-CA 3.22Å; L409-F417 PolarHBondContact O-N 3.17Å
410E98.5Very high96.1Very high59 Ų5944 Ų4428%0.27623%0.23SC..EExtended strand (participates in β ladder)trans-115.7133.3170.9-58.1174.5-10700108E318 K319 T408 R416E318-E410 PolarHBondContact N-O 3.43Å; K319-E410 HydrophobicContact CB-CB 4.29Å; K319-E410 WeakPolarHBondContact CD-OE1 3.5Å; K319-E410 PolarHBondContact N-O 3.04Å; K319-E410 VanDerWaalsContact N-O 3.11Å; K319-E410 IonicContact NZ-OE1 3.88Å; K319-E410 PolarHBondContact NZ-OE1 3.08Å; K319-E410 PolarHBondContact O-N 3.32Å; T408-E410 HydrophobicContact CG2-CG 4.41Å; E410-R416 HydrophobicContact CG-CG 4.25Å
411F98.3Very high96.6Very high1 Ų144 Ų440%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-109.9155.9-174.2-60.2-84.4000111.7M307 K312 D316 I317 L409 D413 G414 T415 F417M307-F411 HydrophobicContact CE-CE1 4.1Å; M307-F411 HydrophobicContact CG-CE1 4.08Å; M307-F411 HydrophobicContact CG-CZ 3.83Å; M307-F411 HydrophobicContact SD-CE1 4.16Å; M307-F411 HydrophobicContact SD-CZ 4.27Å; K312-F411 HydrophobicContact CB-CE1 4.11Å; K312-F411 HydrophobicContact CD-CD1 3.81Å; K312-F411 HydrophobicContact CD-CD2 3.93Å; K312-F411 HydrophobicContact CD-CE1 3.73Å; K312-F411 HydrophobicContact CD-CE2 3.86Å; K312-F411 HydrophobicContact CD-CG 3.92Å; K312-F411 HydrophobicContact CD-CZ 3.76Å; K312-F411 HydrophobicContact CG-CE1 4.43Å; D316-F411 HydrophobicContact CB-CD1 3.99Å; D316-F411 CarbonylContact O-C 3.53Å; D316-F411 VanDerWaalsContact O-CA 3.24Å; D316-F411 WeakPolarHBondContact O-CA 3.14Å; D316-F411 WeakPolarHBondContact O-CB 3.4Å; I317-F411 HydrophobicContact CG1-CD1 4.19Å; I317-F411 HydrophobicContact CG1-CE1 3.86Å; L409-F411 HydrophobicContact CB-CE2 4.04Å; L409-F411 HydrophobicContact CB-CZ 3.93Å; L409-F411 HydrophobicContact CD1-CZ 4.05Å; F411-D413 WeakPolarHBondContact CB-OD1 3.37Å; F411-D413 PolarHBondContact O-N 2.81Å; F411-D413 VanDerWaalsContact O-N 3.1Å; F411-G414 WeakPolarHBondContact O-CA 3.22Å; F411-G414 PolarHBondContact O-N 2.95Å; F411-T415 PolarHBondContact N-O 2.92Å; F411-F417 HydrophobicContact CD2-CD1 4.43Å; F411-F417 HydrophobicContact CD2-CE1 4.46Å; F411-F417 AromaticContact CE2-CD1 3.56Å; F411-F417 HydrophobicContact CE2-CD1 3.56Å; F411-F417 AromaticContact CE2-CD2 3.99Å; F411-F417 HydrophobicContact CE2-CD2 3.99Å; F411-F417 AromaticContact CE2-CE1 3.61Å; F411-F417 HydrophobicContact CE2-CE1 3.61Å; F411-F417 HydrophobicContact CE2-CE2 4.03Å; F411-F417 AromaticContact CE2-CG 3.75Å; F411-F417 HydrophobicContact CE2-CG 3.75Å; F411-F417 AromaticContact CE2-CZ 3.85Å; F411-F417 HydrophobicContact CE2-CZ 3.85Å; F411-F417 HydrophobicContact CZ-CD1 4.33Å; F411-F417 HydrophobicContact CZ-CD2 4.04Å; F411-F417 HydrophobicContact CZ-CE1 4.13Å; F411-F417 AromaticContact CZ-CE2 3.82Å; F411-F417 HydrophobicContact CZ-CE2 3.82Å; F411-F417 HydrophobicContact CZ-CG 4.29Å; F411-F417 AromaticContact CZ-CZ 3.87Å; F411-F417 HydrophobicContact CZ-CZ 3.87Å
412T97.2Very high97.1Very high89 Ų8943.7 Ų43.755%0.54624%0.236SC..THydrogen-bonded Turntrans-62.6-16.2-177.452.20000115D316 E318 G414D316-T412 PolarHBondContact O-N 3.27Å; D316-T412 PolarHBondContact O-OG1 3.46Å; E318-T412 HydrophobicContact CB-CG2 3.94Å; T412-G414 VanDerWaalsContact C-N 3.26Å
413D96.4Very high97.3Very high101 Ų10147.8 Ų47.854%0.5426%0.255SS..THydrogen-bonded Turntrans-84.92.6172.466.1-2.2000113.2K312 F411 T415K312-D413 VanDerWaalsContact NZ-CG 3.29Å; K312-D413 IonicContact NZ-OD1 3.46Å; K312-D413 PolarHBondContact NZ-OD1 2.93Å; K312-D413 IonicContact NZ-OD2 3.71Å; K312-D413 PolarHBondContact NZ-OD2 2.97Å; F411-D413 WeakPolarHBondContact CB-OD1 3.37Å; F411-D413 PolarHBondContact O-N 2.81Å; F411-D413 VanDerWaalsContact O-N 3.1Å; D413-T415 VanDerWaalsContact C-N 3.3Å; D413-T415 WeakPolarHBondContact OD1-CB 3.24Å; D413-T415 WeakPolarHBondContact OD1-CG2 3.44Å; D413-T415 PolarHBondContact OD1-N 3.48Å; D413-T415 PolarHBondContact OD1-OG1 3.33Å; D413-T415 PolarHBondContact OD2-OG1 2.93Å
414G95Very high97.4Very high67 Ų6749.2 Ų49.269%0.69126%0.261SS*.SBendtrans82.9-0.7-177.600000114.5F411 T412F411-G414 WeakPolarHBondContact O-CA 3.22Å; F411-G414 PolarHBondContact O-N 2.95Å; T412-G414 VanDerWaalsContact C-N 3.26Å
415T96.3Very high97.3Very high60 Ų6049.2 Ų49.237%0.36826%0.26SS..  trans-76.6153.6173.663.90000111.3K312 F411 D413K312-T415 WeakPolarHBondContact CE-OG1 3.5Å; K312-T415 PolarHBondContact NZ-OG1 2.86Å; F411-T415 PolarHBondContact N-O 2.92Å; D413-T415 VanDerWaalsContact C-N 3.3Å; D413-T415 WeakPolarHBondContact OD1-CB 3.24Å; D413-T415 WeakPolarHBondContact OD1-CG2 3.44Å; D413-T415 PolarHBondContact OD1-N 3.48Å; D413-T415 PolarHBondContact OD1-OG1 3.33Å; D413-T415 PolarHBondContact OD2-OG1 2.93Å
416R97.5Very high97Very high160 Ų16050.1 Ų50.160%0.60427%0.265SS*.BIsolated β-bridgetrans-137136.2179.7170.3-179.9171.7-173.34.8109.3T408 L409 E410T408-R416 HydrophobicContact CG2-CG 4.05Å; L409-R416 WeakPolarHBondContact O-CA 3.22Å; E410-R416 HydrophobicContact CG-CG 4.25Å
417F97.9Very high96.6Very high33 Ų3350.1 Ų50.115%0.14527%0.265CS..PPolyproline II helixtrans-82.7154.8170.9-74.91.9000111.5L303 Q306 M307 A310 K312 L409 F411L303-F417 HydrophobicContact CD2-CB 4.37Å; L303-F417 HydrophobicContact CD2-CD2 4.07Å; Q306-F417 HydrophobicContact CB-CD2 4.05Å; Q306-F417 HydrophobicContact CB-CE2 3.63Å; Q306-F417 HydrophobicContact CB-CZ 4.44Å; M307-F417 HydrophobicContact CB-CE2 4.49Å; M307-F417 HydrophobicContact CG-CE2 3.75Å; M307-F417 HydrophobicContact CG-CZ 4.38Å; A310-F417 HydrophobicContact CB-CE1 4.38Å; A310-F417 HydrophobicContact CB-CZ 3.84Å; K312-F417 HydrophobicContact CD-CE1 4.13Å; K312-F417 HydrophobicContact CD-CZ 4.02Å; L409-F417 PolarHBondContact O-N 3.17Å; F411-F417 HydrophobicContact CD2-CD1 4.43Å; F411-F417 HydrophobicContact CD2-CE1 4.46Å; F411-F417 AromaticContact CE2-CD1 3.56Å; F411-F417 HydrophobicContact CE2-CD1 3.56Å; F411-F417 AromaticContact CE2-CD2 3.99Å; F411-F417 HydrophobicContact CE2-CD2 3.99Å; F411-F417 AromaticContact CE2-CE1 3.61Å; F411-F417 HydrophobicContact CE2-CE1 3.61Å; F411-F417 HydrophobicContact CE2-CE2 4.03Å; F411-F417 AromaticContact CE2-CG 3.75Å; F411-F417 HydrophobicContact CE2-CG 3.75Å; F411-F417 AromaticContact CE2-CZ 3.85Å; F411-F417 HydrophobicContact CE2-CZ 3.85Å; F411-F417 HydrophobicContact CZ-CD1 4.33Å; F411-F417 HydrophobicContact CZ-CD2 4.04Å; F411-F417 HydrophobicContact CZ-CE1 4.13Å; F411-F417 AromaticContact CZ-CE2 3.82Å; F411-F417 HydrophobicContact CZ-CE2 3.82Å; F411-F417 HydrophobicContact CZ-CG 4.29Å; F411-F417 AromaticContact CZ-CZ 3.87Å; F411-F417 HydrophobicContact CZ-CZ 3.87Å
418E97.3Very high96.4Very high171 Ų17150.5 Ų50.580%0.79927%0.267SS*.PPolyproline II helixtrans-60.3147.6169.5-67.5-169166.400110.4V420E418-V420 PolarHBondContact O-N 3.29Å
419E98.2Very high96Very high68 Ų6852 Ų5232%0.31828%0.28SS..PPolyproline II helixtrans-69.9128.3-179.3-173.4177.670.700110.3R323 A406 T408 V421R323-E419 IonicContact CZ-OE1 3.36Å; R323-E419 IonicContact NE-OE1 3.6Å; R323-E419 IonicContact NE-OE2 2.66Å; R323-E419 IonicContact NH2-OE1 3.87Å; R323-E419 PolarHBondContact NH2-OE1 3.41Å; R323-E419 IonicContact NH2-OE2 3.13Å; A406-E419 HydrophobicContact CB-CG 3.88Å; T408-E419 WeakPolarHBondContact OG1-CB 3.39Å; T408-E419 WeakPolarHBondContact OG1-CG 3.29Å; E419-V421 HydrophobicContact CG-CG2 4.29Å
420V98.4Very high95.7Very high22 Ų2258.7 Ų58.713%0.13331%0.305CS..EExtended strand (participates in β ladder)trans-95.8114.4174.7178.70000108.6A299 T302 L303 A406 I407 E418 V422A299-V420 HydrophobicContact CB-CB 4.29Å; A299-V420 HydrophobicContact CB-CG1 3.87Å; T302-V420 HydrophobicContact CG2-CG1 4.23Å; T302-V420 HydrophobicContact CG2-CG2 4.33Å; L303-V420 HydrophobicContact CD2-CG2 3.79Å; L303-V420 HydrophobicContact CG-CB 4.38Å; L303-V420 HydrophobicContact CG-CG2 3.92Å; A406-V420 CarbonylContact C-O 3.49Å; A406-V420 VanDerWaalsContact CA-O 3.28Å; A406-V420 WeakPolarHBondContact CA-O 3.09Å; I407-V420 PolarHBondContact N-O 3.44Å; I407-V420 PolarHBondContact O-N 2.84Å; E418-V420 PolarHBondContact O-N 3.29Å; V420-V422 HydrophobicContact CG1-CG2 4.38Å
421V98.1Very high95.5Very high64 Ų6458.6 Ų58.639%0.38830%0.302SS..EExtended strand (participates in β ladder)trans-104.5128.2178.8-172.30000109.9F391 A406 E419 E423F391-V421 HydrophobicContact CZ-CG1 3.98Å; A406-V421 HydrophobicContact CB-CB 4.26Å; A406-V421 HydrophobicContact CB-CG1 4.25Å; A406-V421 HydrophobicContact CB-CG2 3.77Å; E419-V421 HydrophobicContact CG-CG2 4.29Å; V421-E423 HydrophobicContact CG1-CG 4.35Å
422V97.5Very high95.2Very high16 Ų1660.4 Ų60.410%0.09731%0.309CS..EExtended strand (participates in β ladder)trans-127.6115.5172.4-175.60000108.7T295 E298 A299 A404 N405 V420T295-V422 WeakPolarHBondContact CB-O 3.32Å; T295-V422 HydrophobicContact CG2-CB 4.25Å; T295-V422 HydrophobicContact CG2-CG1 3.68Å; E298-V422 HydrophobicContact CB-CG1 4.4Å; E298-V422 HydrophobicContact CB-CG2 4.47Å; E298-V422 HydrophobicContact CG-CG1 4.35Å; E298-V422 HydrophobicContact CG-CG2 4.38Å; A299-V422 HydrophobicContact CB-CG2 4.09Å; A404-V422 WeakPolarHBondContact CA-O 3.33Å; N405-V422 PolarHBondContact N-O 2.97Å; N405-V422 VanDerWaalsContact N-O 3.12Å; N405-V422 PolarHBondContact O-N 3.31Å; V420-V422 HydrophobicContact CG1-CG2 4.38Å
423E94.9Very high95Very high86 Ų8664.7 Ų64.740%0.40232%0.323SS..  trans-90.6-39.1-176.1-68.4-178.3-160.600113.6I403 A404 V421I403-E423 CarbonylContact C-O 3.59Å; I403-E423 PolarHBondContact N-O 3.17Å; A404-E423 HydrophobicContact CB-CB 4.46Å; A404-E423 HydrophobicContact CB-CG 4.24Å; V421-E423 HydrophobicContact CG1-CG 4.35Å
424Y94.8Very high94.9Very high31 Ų3164.3 Ų64.312%0.12232%0.32CS..SBendtrans-124.7119.9-175-59.1-70.9000109.6K400 A402 H428 R430 R431K400-Y424 WeakPolarHBondContact O-CE1 3.27Å; A402-Y424 HydrophobicContact CB-CD1 4.21Å; A402-Y424 HydrophobicContact CB-CE1 3.58Å; Y424-H428 AromaticContact CD1-CD2 3.86Å; Y424-H428 AromaticContact CD1-CE1 3.49Å; Y424-H428 VanDerWaalsContact CD1-CE1 3.49Å; Y424-H428 WeakPolarHBondContact CD1-CE1 3.29Å; Y424-H428 AromaticContact CD1-CG 3.87Å; Y424-H428 AromaticContact CD1-ND1 3.6Å; Y424-H428 AromaticContact CD1-NE2 3.68Å; Y424-H428 AromaticContact CE1-CE1 3.85Å; Y424-R430 PolarHBondContact OH-NH1 3.48Å; Y424-R431 WeakPolarHBondContact O-CD 3.49Å; Y424-R431 PolarHBondContact O-NH1 2.95Å
425P93.7Very high94.9Very high1 Ų161.1 Ų61.11%0.00629%0.287CS..  trans-71.3157.6179.328.8-33.9000111.9F291 Q294 T295 I403 G427 H428F291-P425 HydrophobicContact CE1-CG 4.45Å; F291-P425 HydrophobicContact CZ-CG 4.07Å; Q294-P425 HydrophobicContact CB-CB 3.8Å; Q294-P425 HydrophobicContact CB-CG 4.39Å; T295-P425 HydrophobicContact CG2-CB 3.79Å; T295-P425 HydrophobicContact CG2-CG 4.15Å; I403-P425 HydrophobicContact CD1-CG 4.41Å; P425-G427 PolarHBondContact O-N 2.56Å; P425-H428 HydrophobicContact CG-CB 4.35Å; P425-H428 WeakPolarHBondContact O-CB 3.45Å; P425-H428 PolarHBondContact O-N 2.95Å
426I92.2Very high94.9Very high19 Ų1959.4 Ų59.410%0.09728%0.276CS..THydrogen-bonded Turntrans-56.7121.5166.2-64.7178.5000108.9I285 R431 K438I285-I426 HydrophobicContact CB-CG2 4.41Å; I285-I426 HydrophobicContact CD1-CG2 4.3Å; I426-R431 VanDerWaalsContact CG1-NH2 3.28Å; I426-K438 HydrophobicContact CD1-CD 4.12Å; I426-K438 HydrophobicContact CG2-CD 3.93Å
427G91.6Very high94.9Very high0 Ų055.3 Ų55.30%027%0.27CS..THydrogen-bonded Turntrans106.2-10.4-174.100000114.6F283 P425F283-G427 PolarHBondContact N-O 3.09Å; F283-G427 VanDerWaalsContact N-O 3.1Å; F283-G427 WeakPolarHBondContact O-CA 3.14Å; P425-G427 PolarHBondContact O-N 2.56Å
428H93.8Very high94.8Very high9 Ų958.7 Ų58.74%0.04229%0.285CS..SBendtrans-62.1149.5164.5-170.7-88.5000110.9L282 K400 R401 Y424 P425 R430 R431 R432L282-H428 HydrophobicContact CD2-CB 4.3Å; L282-H428 WeakPolarHBondContact CD2-CD2 3.41Å; K400-H428 PolarHBondContact O-CE1 3.06Å; K400-H428 PolarHBondContact O-NE2 2.89Å; R401-H428 PolarHBondContact O-NE2 3.32Å; Y424-H428 AromaticContact CD1-CD2 3.86Å; Y424-H428 AromaticContact CD1-CE1 3.49Å; Y424-H428 VanDerWaalsContact CD1-CE1 3.49Å; Y424-H428 WeakPolarHBondContact CD1-CE1 3.29Å; Y424-H428 AromaticContact CD1-CG 3.87Å; Y424-H428 AromaticContact CD1-ND1 3.6Å; Y424-H428 AromaticContact CD1-NE2 3.68Å; Y424-H428 AromaticContact CE1-CE1 3.85Å; P425-H428 HydrophobicContact CG-CB 4.35Å; P425-H428 WeakPolarHBondContact O-CB 3.45Å; P425-H428 PolarHBondContact O-N 2.95Å; H428-R430 WeakPolarHBondContact ND1-CB 3.47Å; H428-R430 PolarHBondContact ND1-N 3.45Å; H428-R430 VanDerWaalsContact ND1-N 3.13Å; H428-R430 PolarHBondContact O-N 3.31Å; H428-R430 VanDerWaalsContact O-N 3.15Å; H428-R431 CarbonylContact O-C 3.5Å; H428-R431 WeakPolarHBondContact O-CA 3.5Å; H428-R431 PolarHBondContact O-N 3.43Å; H428-R432 PolarHBondContact O-N 3.26Å; H428-R432 VanDerWaalsContact O-N 3.1Å
429A90.1Very high94.8Very high36 Ų3650.6 Ų50.630%0.29825%0.247SC..G310 helixtrans-53.4-38.4-179.500000113R431 R432A429-R431 VanDerWaalsContact C-N 3.28Å; A429-R431 PolarHBondContact O-N 3.5Å; A429-R432 WeakPolarHBondContact O-CB 3.36Å; A429-R432 PolarHBondContact O-N 3.48Å
430R92.2Very high94.8Very high139 Ų13948.3 Ų48.353%0.52524%0.237SC..G310 helixtrans-66.7-20.8175.5-64.5178.1178.5-145.5-3114.9E399 Y424 H428E399-R430 PolarHBondContact O-NH2 2.94Å; Y424-R430 PolarHBondContact OH-NH1 3.48Å; H428-R430 WeakPolarHBondContact ND1-CB 3.47Å; H428-R430 PolarHBondContact ND1-N 3.45Å; H428-R430 VanDerWaalsContact ND1-N 3.13Å; H428-R430 PolarHBondContact O-N 3.31Å; H428-R430 VanDerWaalsContact O-N 3.15Å
431R94.2Very high94.8Very high57 Ų5750.9 Ų50.922%0.21525%0.25CS..G310 helixtrans-117.524.2178.9-65.1-17971.9-170.94.8111.8E298 Y424 I426 H428 A429 Q433 D434 G435E298-R431 VanDerWaalsContact CD-NH1 3.31Å; E298-R431 IonicContact OE1-CZ 3.24Å; E298-R431 IonicContact OE1-NH1 3.66Å; E298-R431 PolarHBondContact OE1-NH1 3.49Å; E298-R431 IonicContact OE1-NH2 2.93Å; E298-R431 PolarHBondContact OE1-NH2 3.28Å; E298-R431 IonicContact OE2-NH1 2.97Å; E298-R431 PolarHBondContact OE2-NH1 3.01Å; Y424-R431 WeakPolarHBondContact O-CD 3.49Å; Y424-R431 PolarHBondContact O-NH1 2.95Å; I426-R431 VanDerWaalsContact CG1-NH2 3.28Å; H428-R431 CarbonylContact O-C 3.5Å; H428-R431 WeakPolarHBondContact O-CA 3.5Å; H428-R431 PolarHBondContact O-N 3.43Å; A429-R431 VanDerWaalsContact C-N 3.28Å; A429-R431 PolarHBondContact O-N 3.5Å; R431-Q433 VanDerWaalsContact C-N 3.29Å; R431-Q433 PolarHBondContact O-N 2.98Å; R431-D434 PolarHBondContact O-N 3.22Å; R431-G435 PolarHBondContact O-N 2.99Å
432R91.6Very high94.7Very high40 Ų4048.5 Ų48.515%0.15124%0.235CC..Hα-helixtrans-61.8-38.3-174.7-164.970.67379.6-2.8111.6T36 E279 V281 H428 A429 D434 G435 I436T36-R432 PolarHBondContact OG1-NH1 3.22Å; E279-R432 PolarHBondContact O-NH2 3.41Å; V281-R432 PolarHBondContact O-NH2 3.22Å; H428-R432 PolarHBondContact O-N 3.26Å; H428-R432 VanDerWaalsContact O-N 3.1Å; A429-R432 WeakPolarHBondContact O-CB 3.36Å; A429-R432 PolarHBondContact O-N 3.48Å; R432-D434 VanDerWaalsContact C-N 3.34Å; R432-D434 PolarHBondContact O-N 2.67Å; R432-G435 PolarHBondContact O-N 3.3Å; R432-G435 VanDerWaalsContact O-N 3.16Å; R432-I436 HydrophobicContact CG-CD1 4.3Å; R432-I436 HydrophobicContact CG-CG1 4.07Å; R432-I436 WeakPolarHBondContact O-CG1 3.49Å; R432-I436 PolarHBondContact O-N 3.43Å
433Q93.1Very high94.7Very high179 Ų17947.8 Ų47.884%0.83623%0.231SC*.Hα-helixtrans-61.8-39.3179-64.2-177.54.600112.6R431 P437R431-Q433 VanDerWaalsContact C-N 3.29Å; R431-Q433 PolarHBondContact O-N 2.98Å; Q433-P437 WeakPolarHBondContact O-CD 3.38Å
434D94.3Very high94.9Very high92 Ų9247.5 Ų47.549%0.49223%0.228SC..Hα-helixtrans-74.8-30.4175.9-53.3-33.1000112R431 R432R431-D434 PolarHBondContact O-N 3.22Å; R432-D434 VanDerWaalsContact C-N 3.34Å; R432-D434 PolarHBondContact O-N 2.67Å
435G95.3Very high94.9Very high0 Ų050.7 Ų50.70%025%0.246CC..Hα-helixtrans-77.2-44.3-17700000114.2I285 R431 R432 K438 L439I285-G435 WeakPolarHBondContact CD1-O 3.16Å; R431-G435 PolarHBondContact O-N 2.99Å; R432-G435 PolarHBondContact O-N 3.3Å; R432-G435 VanDerWaalsContact O-N 3.16Å; G435-K438 WeakPolarHBondContact O-CB 3.49Å; G435-K438 PolarHBondContact O-N 3.15Å; G435-L439 PolarHBondContact O-N 3.14Å
436I96.3Very high95Very high25 Ų2550.7 Ų50.713%0.12825%0.246CC..Hα-helixtrans-56.4-45-172.5-69.4-50.9000113.5Y39 F283 R432 K438 L439 V440Y39-I436 HydrophobicContact CD1-CD1 4.06Å; Y39-I436 HydrophobicContact CD1-CG2 3.97Å; Y39-I436 HydrophobicContact CD2-CD1 3.6Å; Y39-I436 HydrophobicContact CD2-CG1 4.24Å; Y39-I436 HydrophobicContact CD2-CG2 4.47Å; Y39-I436 HydrophobicContact CE1-CG2 3.46Å; Y39-I436 VanDerWaalsContact CE1-CG2 3.46Å; Y39-I436 HydrophobicContact CE2-CD1 4.13Å; Y39-I436 HydrophobicContact CE2-CG1 4.28Å; Y39-I436 HydrophobicContact CE2-CG2 4.04Å; Y39-I436 HydrophobicContact CG-CD1 3.57Å; Y39-I436 HydrophobicContact CG-CG2 4.46Å; F283-I436 HydrophobicContact CE2-CD1 4.45Å; R432-I436 HydrophobicContact CG-CD1 4.3Å; R432-I436 HydrophobicContact CG-CG1 4.07Å; R432-I436 WeakPolarHBondContact O-CG1 3.49Å; R432-I436 PolarHBondContact O-N 3.43Å; I436-K438 VanDerWaalsContact C-N 3.31Å; I436-K438 PolarHBondContact O-N 2.84Å; I436-L439 HydrophobicContact CD1-CD1 4.34Å; I436-L439 WeakPolarHBondContact O-CB 3.41Å; I436-L439 PolarHBondContact O-N 3.45Å; I436-V440 WeakPolarHBondContact O-CG2 3.45Å; I436-V440 PolarHBondContact O-N 3.49Å
437P97.1Very high95.1Very high73 Ų7349.8 Ų49.847%0.47424%0.241SC..Hα-helixtrans-57.5-43.2175.5-25.835.6000112.7Q433 L439 V440 D441Q433-P437 WeakPolarHBondContact O-CD 3.38Å; P437-L439 PolarHBondContact O-N 2.73Å; P437-V440 PolarHBondContact O-N 3.1Å; P437-D441 PolarHBondContact O-N 3.42Å
438K96.6Very high95.1Very high105 Ų10552.4 Ų52.446%0.45726%0.263SS..Hα-helixtrans-67.1-35.6178.1-68.2173.5177.4-76.60112.4I285 I426 G435 I436 D441 K442I285-K438 HydrophobicContact CG2-CB 3.54Å; I426-K438 HydrophobicContact CD1-CD 4.12Å; I426-K438 HydrophobicContact CG2-CD 3.93Å; G435-K438 WeakPolarHBondContact O-CB 3.49Å; G435-K438 PolarHBondContact O-N 3.15Å; I436-K438 VanDerWaalsContact C-N 3.31Å; I436-K438 PolarHBondContact O-N 2.84Å; K438-D441 PolarHBondContact O-N 3.41Å; K438-K442 WeakPolarHBondContact O-CB 3.46Å; K438-K442 PolarHBondContact O-N 3.38Å
439L97.5Very high94.8Very high0 Ų057 Ų570%028%0.28CS..Hα-helixtrans-64.1-43.9173.9-176.8161.2000110.8Y39 L42 D43 F283 I285 G435 I436 P437 D441 K442 F443Y39-L439 HydrophobicContact CD1-CD2 4.32Å; L42-L439 HydrophobicContact CB-CD2 4.3Å; D43-L439 HydrophobicContact CB-CD1 3.89Å; D43-L439 HydrophobicContact CB-CD2 4.11Å; D43-L439 HydrophobicContact CB-CG 3.92Å; F283-L439 HydrophobicContact CB-CD1 4.27Å; F283-L439 HydrophobicContact CD1-CD1 4.06Å; F283-L439 HydrophobicContact CD2-CD1 4.02Å; F283-L439 HydrophobicContact CE1-CD1 4.43Å; F283-L439 HydrophobicContact CE2-CD1 4.36Å; F283-L439 HydrophobicContact CG-CD1 3.85Å; I285-L439 HydrophobicContact CD1-CB 4.08Å; I285-L439 HydrophobicContact CD1-CD1 4.41Å; I285-L439 HydrophobicContact CG1-CB 4.25Å; I285-L439 HydrophobicContact CG1-CD1 4.49Å; I285-L439 HydrophobicContact CG2-CB 4.22Å; G435-L439 PolarHBondContact O-N 3.14Å; I436-L439 HydrophobicContact CD1-CD1 4.34Å; I436-L439 WeakPolarHBondContact O-CB 3.41Å; I436-L439 PolarHBondContact O-N 3.45Å; P437-L439 PolarHBondContact O-N 2.73Å; L439-D441 VanDerWaalsContact C-N 3.32Å; L439-D441 PolarHBondContact O-N 2.84Å; L439-K442 WeakPolarHBondContact O-CB 3.46Å; L439-K442 PolarHBondContact O-N 3.19Å; L439-F443 PolarHBondContact O-N 2.75Å
440V97.9Very high94.5Very high20 Ų2057.3 Ų57.312%0.12128%0.275CS..Hα-helixtrans-62.8-41175.3169.90000111Y39 I436 P437 F443 K444 L464Y39-V440 HydrophobicContact CE1-CG2 4.23Å; I436-V440 WeakPolarHBondContact O-CG2 3.45Å; I436-V440 PolarHBondContact O-N 3.49Å; P437-V440 PolarHBondContact O-N 3.1Å; V440-F443 PolarHBondContact O-N 3.19Å; V440-K444 WeakPolarHBondContact O-CG 3.44Å; V440-K444 PolarHBondContact O-N 2.93Å; V440-L464 HydrophobicContact CG1-CD1 4.31Å; V440-L464 HydrophobicContact CG1-CD2 3.89Å; V440-L464 HydrophobicContact CG2-CD2 4.09Å
441D97.7Very high94.1Very high76 Ų7651.3 Ų51.341%0.40625%0.253SS..Hα-helixtrans-67.3-41.1177-69.5-21.8000112.3P437 K438 L439 F443 K444 I445P437-D441 PolarHBondContact O-N 3.42Å; K438-D441 PolarHBondContact O-N 3.41Å; L439-D441 VanDerWaalsContact C-N 3.32Å; L439-D441 PolarHBondContact O-N 2.84Å; D441-F443 VanDerWaalsContact C-N 3.32Å; D441-F443 PolarHBondContact O-N 3.18Å; D441-K444 PolarHBondContact O-N 3.44Å; D441-K444 IonicContact OD1-NZ 3.29Å; D441-K444 PolarHBondContact OD1-NZ 3.06Å; D441-I445 VanDerWaalsContact O-CG1 3.3Å; D441-I445 WeakPolarHBondContact O-CG1 3.43Å; D441-I445 PolarHBondContact O-N 3.34Å
442K96.8Very high93.2Very high15 Ų1550.8 Ų50.87%0.06526%0.257CS..Hα-helixtrans-55.8-45.6169.9178-173.1173.5-164.40111.6D43 F101 K284 K438 L439 K444 I445 N446D43-K442 WeakPolarHBondContact OD1-CE 3.31Å; D43-K442 IonicContact OD1-NZ 2.81Å; D43-K442 PolarHBondContact OD1-NZ 3.28Å; D43-K442 IonicContact OD2-NZ 3.32Å; F101-K442 HydrophobicContact CE1-CD 4.31Å; F101-K442 HydrophobicContact CZ-CD 4.25Å; F101-K442 PolarHBondContact O-NZ 3.04Å; K284-K442 PolarHBondContact O-NZ 2.84Å; K438-K442 WeakPolarHBondContact O-CB 3.46Å; K438-K442 PolarHBondContact O-N 3.38Å; L439-K442 WeakPolarHBondContact O-CB 3.46Å; L439-K442 PolarHBondContact O-N 3.19Å; K442-K444 PolarHBondContact O-N 3.37Å; K442-I445 PolarHBondContact O-N 3.2Å; K442-N446 PolarHBondContact O-N 3.26Å
443F97.6Very high92.7Very high1 Ų153.3 Ų53.30%0.00428%0.277CS..Hα-helixtrans-60.9-43.6176.7-178.5-121.1000112.1L42 L45 L439 V440 D441 N446 L447 I459 L460L42-F443 HydrophobicContact CB-CD1 4.39Å; L42-F443 HydrophobicContact CB-CD2 4.4Å; L42-F443 HydrophobicContact CB-CG 4.24Å; L42-F443 HydrophobicContact CD2-CE1 4.08Å; L42-F443 HydrophobicContact CD2-CZ 4.2Å; L42-F443 WeakPolarHBondContact O-CD2 3.31Å; L45-F443 HydrophobicContact CB-CE2 4.41Å; L439-F443 PolarHBondContact O-N 2.75Å; V440-F443 PolarHBondContact O-N 3.19Å; D441-F443 VanDerWaalsContact C-N 3.32Å; D441-F443 PolarHBondContact O-N 3.18Å; F443-N446 PolarHBondContact O-N 2.97Å; F443-L447 HydrophobicContact CD1-CD1 4.08Å; F443-L447 HydrophobicContact CE1-CD1 3.65Å; F443-L447 HydrophobicContact CE1-CG 4.28Å; F443-L447 HydrophobicContact CE2-CD1 4.41Å; F443-L447 HydrophobicContact CE2-CD2 4.25Å; F443-L447 HydrophobicContact CE2-CG 4.16Å; F443-L447 HydrophobicContact CZ-CD1 3.84Å; F443-L447 HydrophobicContact CZ-CD2 4.09Å; F443-L447 HydrophobicContact CZ-CG 4.04Å; F443-L447 WeakPolarHBondContact O-CG 3.47Å; F443-L447 PolarHBondContact O-N 2.87Å; F443-I459 HydrophobicContact CE1-CG2 4.36Å; F443-I459 HydrophobicContact CZ-CG2 4.02Å; F443-L460 HydrophobicContact CD1-CD2 3.92Å; F443-L460 HydrophobicContact CE1-CD2 4Å
444K97.7Very high92Very high80 Ų8053.2 Ų53.235%0.34827%0.269SS..Hα-helixtrans-61.5-46.1175.4-67.8169.8-168154.70112.2V440 D441 K442 N446 L447 A448 L460V440-K444 WeakPolarHBondContact O-CG 3.44Å; V440-K444 PolarHBondContact O-N 2.93Å; D441-K444 PolarHBondContact O-N 3.44Å; D441-K444 IonicContact OD1-NZ 3.29Å; D441-K444 PolarHBondContact OD1-NZ 3.06Å; K442-K444 PolarHBondContact O-N 3.37Å; K444-N446 VanDerWaalsContact C-N 3.26Å; K444-N446 PolarHBondContact O-N 3.33Å; K444-L447 PolarHBondContact O-N 3.32Å; K444-A448 PolarHBondContact O-N 3.34Å; K444-L460 HydrophobicContact CG-CD1 4.05Å; K444-L460 HydrophobicContact CG-CD2 3.82Å
445I96.1Very high91.5Very high97 Ų9749.4 Ų49.450%0.49725%0.248SC..Hα-helixtrans-56.3-45.8177.1-70.2164.4000109.6D441 K442 A448 R449D441-I445 VanDerWaalsContact O-CG1 3.3Å; D441-I445 WeakPolarHBondContact O-CG1 3.43Å; D441-I445 PolarHBondContact O-N 3.34Å; K442-I445 PolarHBondContact O-N 3.2Å; I445-A448 WeakPolarHBondContact O-CB 3.32Å; I445-A448 PolarHBondContact O-N 3.43Å; I445-R449 PolarHBondContact O-N 3.08Å
446N95.5Very high91.3Very high2 Ų250.9 Ų50.91%0.01126%0.255CS..Hα-helixtrans-74.5-28.8-177-69.5-11.4000113.4G46 E50 K442 F443 K444 A448 R449G46-N446 VanDerWaalsContact O-CB 3.24Å; G46-N446 WeakPolarHBondContact O-CB 3.37Å; G46-N446 PolarHBondContact O-ND2 2.85Å; E50-N446 HydrophobicContact CB-CB 4.47Å; E50-N446 PolarHBondContact OE2-ND2 3.3Å; E50-N446 PolarHBondContact OE2-OD1 3.47Å; K442-N446 PolarHBondContact O-N 3.26Å; F443-N446 PolarHBondContact O-N 2.97Å; K444-N446 VanDerWaalsContact C-N 3.26Å; K444-N446 PolarHBondContact O-N 3.33Å; N446-A448 VanDerWaalsContact C-N 3.33Å; N446-R449 PolarHBondContact O-N 3.27Å; N446-R449 PolarHBondContact OD1-NE 3.13Å
447L94.1Very high91Very high0 Ų056 Ų560%028%0.278CS..Hα-helixtrans-63-40.5167-74.2176.1000111.9L49 F443 K444 R449 Q450 F451 Q456 I459 L460 Y481L49-L447 HydrophobicContact CD1-CD2 3.65Å; L49-L447 HydrophobicContact CD1-CG 4.46Å; F443-L447 HydrophobicContact CD1-CD1 4.08Å; F443-L447 HydrophobicContact CE1-CD1 3.65Å; F443-L447 HydrophobicContact CE1-CG 4.28Å; F443-L447 HydrophobicContact CE2-CD1 4.41Å; F443-L447 HydrophobicContact CE2-CD2 4.25Å; F443-L447 HydrophobicContact CE2-CG 4.16Å; F443-L447 HydrophobicContact CZ-CD1 3.84Å; F443-L447 HydrophobicContact CZ-CD2 4.09Å; F443-L447 HydrophobicContact CZ-CG 4.04Å; F443-L447 WeakPolarHBondContact O-CG 3.47Å; F443-L447 PolarHBondContact O-N 2.87Å; K444-L447 PolarHBondContact O-N 3.32Å; L447-R449 PolarHBondContact O-N 3.22Å; L447-Q450 PolarHBondContact O-N 2.88Å; L447-F451 HydrophobicContact CD2-CD2 3.86Å; L447-F451 HydrophobicContact CD2-CE2 4.07Å; L447-F451 PolarHBondContact O-N 3.22Å; L447-Q456 HydrophobicContact CB-CB 4.49Å; L447-Q456 HydrophobicContact CB-CG 4.13Å; L447-I459 HydrophobicContact CD1-CB 4.25Å; L447-I459 HydrophobicContact CD1-CG2 3.95Å; L447-I459 HydrophobicContact CD2-CB 4.36Å; L447-I459 HydrophobicContact CD2-CD1 3.67Å; L447-I459 HydrophobicContact CD2-CG2 3.91Å; L447-L460 HydrophobicContact CD1-CD1 4.42Å; L447-L460 HydrophobicContact CD1-CD2 3.76Å; L447-L460 HydrophobicContact CD1-CG 3.76Å; L447-Y481 HydrophobicContact CD2-CE1 4.13Å
448A91.3Very high90.7Very high54 Ų5456.7 Ų56.745%0.44627%0.271SS..Hα-helixtrans-66.5-21.4-179.200000113.8K444 I445 N446K444-A448 PolarHBondContact O-N 3.34Å; I445-A448 WeakPolarHBondContact O-CB 3.32Å; I445-A448 PolarHBondContact O-N 3.43Å; N446-A448 VanDerWaalsContact C-N 3.33Å
449R87.8Confident90.7Very high105 Ų10551.7 Ų51.740%0.39625%0.25SC..Hα-helixtrans-66.5-36.6173.2-62.4175.4-177.6-765112.7E50 E53 I445 N446 L447E50-R449 IonicContact OE1-NH2 2.79Å; E53-R449 HydrophobicContact CG-CB 4.42Å; I445-R449 PolarHBondContact O-N 3.08Å; N446-R449 PolarHBondContact O-N 3.27Å; N446-R449 PolarHBondContact OD1-NE 3.13Å; L447-R449 PolarHBondContact O-N 3.22Å
450Q83.1Confident90.6Very high44 Ų4453.1 Ų53.121%0.20626%0.257CS..Hα-helixtrans-110.3-20.7-170.3-58.4-52.8-37.300114.2L49 L52 E53 L447L49-Q450 HydrophobicContact CB-CG 4.05Å; L49-Q450 HydrophobicContact CD2-CB 4.34Å; L49-Q450 HydrophobicContact CD2-CG 4Å; L49-Q450 PolarHBondContact O-NE2 3.44Å; L49-Q450 VanDerWaalsContact O-NE2 3.13Å; L52-Q450 HydrophobicContact CD1-CG 4.32Å; E53-Q450 PolarHBondContact OE1-NE2 2.8Å; L447-Q450 PolarHBondContact O-N 2.88Å
451F84.4Confident90.6Very high12 Ų1257.5 Ų57.55%0.05328%0.276CS..SBendtrans-132143.1-168.2-57.1-66.2000112.7L49 L447 Q455 Q456 I459 Y481 Q483L49-F451 HydrophobicContact CD1-CE2 3.87Å; L49-F451 HydrophobicContact CD2-CE2 3.74Å; L49-F451 HydrophobicContact CD2-CZ 4.08Å; L49-F451 HydrophobicContact CG-CE2 4.48Å; L447-F451 HydrophobicContact CD2-CD2 3.86Å; L447-F451 HydrophobicContact CD2-CE2 4.07Å; L447-F451 PolarHBondContact O-N 3.22Å; F451-Q455 HydrophobicContact CB-CB 4.18Å; F451-Q455 HydrophobicContact CB-CG 4.32Å; F451-Q455 HydrophobicContact CD1-CG 4.16Å; F451-Q455 HydrophobicContact CG-CG 4.4Å; F451-Q456 HydrophobicContact CB-CG 4.08Å; F451-Q456 WeakPolarHBondContact O-CG 3.26Å; F451-Q456 PolarHBondContact O-NE2 3.34Å; F451-I459 HydrophobicContact CD2-CD1 3.9Å; F451-I459 HydrophobicContact CE2-CD1 4.06Å; F451-I459 HydrophobicContact CG-CD1 4.3Å; F451-Y481 WeakPolarHBondContact CE1-O 3.42Å; F451-Y481 AromaticContact CE2-CD1 3.92Å; F451-Y481 HydrophobicContact CE2-CD1 3.92Å; F451-Y481 HydrophobicContact CZ-CD1 4.06Å; F451-Y481 HydrophobicContact CZ-CG 4.49Å; F451-Y481 WeakPolarHBondContact CZ-O 3.39Å; F451-Q483 HydrophobicContact CD1-CG 4.48Å
452P76.5Confident90.5Very high46 Ų4654.2 Ų54.230%0.29926%0.259SS..  trans-69.3156.9172.429.7-35.4000111.5R454 Q455 Q456P452-R454 VanDerWaalsContact C-N 3.27Å; P452-R454 PolarHBondContact O-N 3.3Å; P452-Q455 HydrophobicContact CG-CB 4.15Å; P452-Q455 PolarHBondContact O-N 3.34Å; P452-Q456 WeakPolarHBondContact O-CG 3.32Å; P452-Q456 PolarHBondContact O-N 3.28Å
453T80.7Confident90.6Very high93 Ų9353.5 Ų53.557%0.57126%0.256SS*.Hα-helixtrans-48-43-173.5-51.90000114Q455 Q456 Q457T453-Q455 VanDerWaalsContact C-N 3.33Å; T453-Q455 PolarHBondContact O-N 2.96Å; T453-Q456 WeakPolarHBondContact O-CB 3.22Å; T453-Q456 PolarHBondContact O-N 3.41Å; T453-Q457 PolarHBondContact O-N 3.4Å
454R78.4Confident90.6Very high178 Ų17856.9 Ų56.967%0.67227%0.274SS*.Hα-helixtrans-60.6-41.2178.4-174.7-180179.7-171.1-0.3112.4P452 R458P452-R454 VanDerWaalsContact C-N 3.27Å; P452-R454 PolarHBondContact O-N 3.3Å; R454-R458 WeakPolarHBondContact O-CG 3.45Å; R454-R458 PolarHBondContact O-N 2.86Å
455Q83.2Confident90.6Very high11 Ų1156.6 Ų56.65%0.05128%0.276CS..Hα-helixtrans-75.8-37.4179.5-168.763.830.100111.1F451 P452 T453 Q457 R458 I459 L480F451-Q455 HydrophobicContact CB-CB 4.18Å; F451-Q455 HydrophobicContact CB-CG 4.32Å; F451-Q455 HydrophobicContact CD1-CG 4.16Å; F451-Q455 HydrophobicContact CG-CG 4.4Å; P452-Q455 HydrophobicContact CG-CB 4.15Å; P452-Q455 PolarHBondContact O-N 3.34Å; T453-Q455 VanDerWaalsContact C-N 3.33Å; T453-Q455 PolarHBondContact O-N 2.96Å; Q455-Q457 VanDerWaalsContact C-N 3.33Å; Q455-Q457 PolarHBondContact O-N 2.88Å; Q455-R458 PolarHBondContact O-N 3.29Å; Q455-R458 VanDerWaalsContact OE1-NH1 3.1Å; Q455-I459 HydrophobicContact CG-CD1 4.37Å; Q455-I459 WeakPolarHBondContact O-CG1 3.34Å; Q455-I459 PolarHBondContact O-N 3.42Å; Q455-I459 VanDerWaalsContact O-N 3.08Å; Q455-L480 PolarHBondContact NE2-O 2.91Å
456Q91Very high90.6Very high32 Ų3254.7 Ų54.715%0.1526%0.263CS..Hα-helixtrans-55.3-48.1172.1-59.517034.300111L447 F451 P452 T453 R458 I459 L460L447-Q456 HydrophobicContact CB-CB 4.49Å; L447-Q456 HydrophobicContact CB-CG 4.13Å; F451-Q456 HydrophobicContact CB-CG 4.08Å; F451-Q456 WeakPolarHBondContact O-CG 3.26Å; F451-Q456 PolarHBondContact O-NE2 3.34Å; P452-Q456 WeakPolarHBondContact O-CG 3.32Å; P452-Q456 PolarHBondContact O-N 3.28Å; T453-Q456 WeakPolarHBondContact O-CB 3.22Å; T453-Q456 PolarHBondContact O-N 3.41Å; Q456-R458 PolarHBondContact O-N 3.07Å; Q456-I459 PolarHBondContact O-N 2.72Å; Q456-L460 WeakPolarHBondContact O-CB 3.38Å; Q456-L460 VanDerWaalsContact O-CG 3.28Å; Q456-L460 WeakPolarHBondContact O-CG 3.3Å; Q456-L460 PolarHBondContact O-N 2.67Å
457Q91.1Very high90.7Very high131 Ų13158.5 Ų58.561%0.61229%0.286SS*.Hα-helixtrans-60.4-43.1179.1-75.5-169.6-3.400112.5T453 Q455 I459 L460 E461T453-Q457 PolarHBondContact O-N 3.4Å; Q455-Q457 VanDerWaalsContact C-N 3.33Å; Q455-Q457 PolarHBondContact O-N 2.88Å; Q457-I459 VanDerWaalsContact C-N 3.32Å; Q457-I459 PolarHBondContact O-N 3.1Å; Q457-L460 PolarHBondContact O-N 2.88Å; Q457-E461 VanDerWaalsContact O-CB 3.31Å; Q457-E461 WeakPolarHBondContact O-CB 3.42Å; Q457-E461 PolarHBondContact O-N 2.78Å
458R90.7Very high90.9Very high89 Ų8963.7 Ų63.734%0.33631%0.305SS..Hα-helixtrans-61.1-40.2176.6-70.6175.768.6-1656.8112.7R454 Q455 Q456R454-R458 WeakPolarHBondContact O-CG 3.45Å; R454-R458 PolarHBondContact O-N 2.86Å; Q455-R458 PolarHBondContact O-N 3.29Å; Q455-R458 VanDerWaalsContact OE1-NH1 3.1Å; Q456-R458 PolarHBondContact O-N 3.07Å
459I94.8Very high91.2Very high0 Ų061.1 Ų61.10%028%0.284CS..Hα-helixtrans-65.7-52.7175.5-64.7163.7000109F443 L447 F451 Q455 Q456 Q457 E461 V462 S463 L480 Y481F443-I459 HydrophobicContact CE1-CG2 4.36Å; F443-I459 HydrophobicContact CZ-CG2 4.02Å; L447-I459 HydrophobicContact CD1-CB 4.25Å; L447-I459 HydrophobicContact CD1-CG2 3.95Å; L447-I459 HydrophobicContact CD2-CB 4.36Å; L447-I459 HydrophobicContact CD2-CD1 3.67Å; L447-I459 HydrophobicContact CD2-CG2 3.91Å; F451-I459 HydrophobicContact CD2-CD1 3.9Å; F451-I459 HydrophobicContact CE2-CD1 4.06Å; F451-I459 HydrophobicContact CG-CD1 4.3Å; Q455-I459 HydrophobicContact CG-CD1 4.37Å; Q455-I459 WeakPolarHBondContact O-CG1 3.34Å; Q455-I459 PolarHBondContact O-N 3.42Å; Q455-I459 VanDerWaalsContact O-N 3.08Å; Q456-I459 PolarHBondContact O-N 2.72Å; Q457-I459 VanDerWaalsContact C-N 3.32Å; Q457-I459 PolarHBondContact O-N 3.1Å; I459-E461 VanDerWaalsContact C-N 3.35Å; I459-E461 PolarHBondContact O-N 2.82Å; I459-V462 PolarHBondContact O-N 3.5Å; I459-S463 WeakPolarHBondContact CG2-OG 3.4Å; I459-S463 WeakPolarHBondContact O-CB 3.47Å; I459-S463 PolarHBondContact O-N 2.78Å; I459-S463 PolarHBondContact O-OG 3.1Å; I459-S463 VanDerWaalsContact O-OG 3.07Å; I459-L480 WeakPolarHBondContact CD1-O 3.37Å; I459-L480 HydrophobicContact CG1-CB 3.82Å; I459-Y481 HydrophobicContact CD1-CD1 4.23Å; I459-Y481 HydrophobicContact CD1-CE1 4.3Å; I459-Y481 HydrophobicContact CG2-CE1 4.15Å; I459-Y481 HydrophobicContact CG2-CE2 4.41Å
460L97.4Very high91.7Very high30 Ų3057.5 Ų57.516%0.15727%0.272CS..Hα-helixtrans-59.8-39.6-177.3-70.1167.3000113.4F443 K444 L447 Q456 Q457 V462 S463 L464F443-L460 HydrophobicContact CD1-CD2 3.92Å; F443-L460 HydrophobicContact CE1-CD2 4Å; K444-L460 HydrophobicContact CG-CD1 4.05Å; K444-L460 HydrophobicContact CG-CD2 3.82Å; L447-L460 HydrophobicContact CD1-CD1 4.42Å; L447-L460 HydrophobicContact CD1-CD2 3.76Å; L447-L460 HydrophobicContact CD1-CG 3.76Å; Q456-L460 WeakPolarHBondContact O-CB 3.38Å; Q456-L460 VanDerWaalsContact O-CG 3.28Å; Q456-L460 WeakPolarHBondContact O-CG 3.3Å; Q456-L460 PolarHBondContact O-N 2.67Å; Q457-L460 PolarHBondContact O-N 2.88Å; L460-V462 PolarHBondContact O-N 2.82Å; L460-S463 PolarHBondContact O-N 3.43Å; L460-L464 HydrophobicContact CB-CD1 4.36Å; L460-L464 HydrophobicContact CD2-CD1 4.05Å; L460-L464 HydrophobicContact CD2-CG 4.25Å; L460-L464 WeakPolarHBondContact O-CB 3.38Å; L460-L464 WeakPolarHBondContact O-CG 3.39Å; L460-L464 PolarHBondContact O-N 3.43Å
461E96.2Very high92.4Very high111 Ų11162.1 Ų62.152%0.51929%0.293SS..Hα-helixtrans-59.4-34.4179.4-166.2-165.4153.500112.4Q457 I459 R468Q457-E461 VanDerWaalsContact O-CB 3.31Å; Q457-E461 WeakPolarHBondContact O-CB 3.42Å; Q457-E461 PolarHBondContact O-N 2.78Å; I459-E461 VanDerWaalsContact C-N 3.35Å; I459-E461 PolarHBondContact O-N 2.82Å; E461-R468 IonicContact OE1-CZ 2.64Å; E461-R468 IonicContact OE1-NH1 3.54Å; E461-R468 PolarHBondContact OE1-NH1 3.29Å; E461-R468 IonicContact OE1-NH2 3.29Å; E461-R468 PolarHBondContact OE1-NH2 2.85Å
462V96.5Very high93.1Very high8 Ų862.9 Ų62.95%0.04830%0.297CS..Hα-helixtrans-87.7-49.9174.5177.10000110.7I459 L460 L464 D465 L469 M472 Y477 L480I459-V462 PolarHBondContact O-N 3.5Å; L460-V462 PolarHBondContact O-N 2.82Å; V462-L464 VanDerWaalsContact C-N 3.3Å; V462-L464 PolarHBondContact O-N 2.98Å; V462-D465 PolarHBondContact O-N 3.32Å; V462-D465 VanDerWaalsContact O-O 3.09Å; V462-L469 HydrophobicContact CG1-CD1 4.24Å; V462-M472 HydrophobicContact CB-SD 4.46Å; V462-M472 HydrophobicContact CG1-SD 3.53Å; V462-M472 VanDerWaalsContact CG1-SD 3.53Å; V462-M472 HydrophobicContact CG2-SD 4.28Å; V462-Y477 HydrophobicContact CG1-CD2 4.14Å; V462-Y477 HydrophobicContact CG1-CE2 4.27Å; V462-L480 HydrophobicContact CB-CD1 4.27Å; V462-L480 HydrophobicContact CG2-CD1 4.15Å
463S97.8Very high94.1Very high0 Ų062 Ų620%029%0.292CS..Hα-helixtrans-63.6-30.8-171.4-710000113.5H38 I459 L460 Y477H38-S463 PolarHBondContact NE2-O 3.39Å; I459-S463 WeakPolarHBondContact CG2-OG 3.4Å; I459-S463 WeakPolarHBondContact O-CB 3.47Å; I459-S463 PolarHBondContact O-N 2.78Å; I459-S463 PolarHBondContact O-OG 3.1Å; I459-S463 VanDerWaalsContact O-OG 3.07Å; L460-S463 PolarHBondContact O-N 3.43Å; S463-Y477 WeakPolarHBondContact OG-CE2 3.22Å; S463-Y477 PolarHBondContact OG-OH 3.06Å
464L97.8Very high94.9Very high72 Ų7257.6 Ų57.638%0.37726%0.264SS..THydrogen-bonded Turntrans-88.5-18.1-179.6-61.9-179.3000113.5L42 V440 L460 V462L42-L464 HydrophobicContact CD1-CD2 3.88Å; V440-L464 HydrophobicContact CG1-CD1 4.31Å; V440-L464 HydrophobicContact CG1-CD2 3.89Å; V440-L464 HydrophobicContact CG2-CD2 4.09Å; L460-L464 HydrophobicContact CB-CD1 4.36Å; L460-L464 HydrophobicContact CD2-CD1 4.05Å; L460-L464 HydrophobicContact CD2-CG 4.25Å; L460-L464 WeakPolarHBondContact O-CB 3.38Å; L460-L464 WeakPolarHBondContact O-CG 3.39Å; L460-L464 PolarHBondContact O-N 3.43Å; V462-L464 VanDerWaalsContact C-N 3.3Å; V462-L464 PolarHBondContact O-N 2.98Å
465D97.9Very high95.8Very high74 Ų7449.8 Ų49.840%0.39624%0.236SC..  trans-94.198.6171.9179.9-14000109.6V462 T467 R468 L469V462-D465 PolarHBondContact O-N 3.32Å; V462-D465 VanDerWaalsContact O-O 3.09Å; D465-T467 PolarHBondContact O-N 3.48Å; D465-T467 WeakPolarHBondContact OD1-CB 3.47Å; D465-T467 PolarHBondContact OD1-N 3.36Å; D465-R468 HydrophobicContact CB-CB 3.91Å; D465-R468 PolarHBondContact O-N 3.15Å; D465-R468 PolarHBondContact OD1-N 3.37Å; D465-R468 VanDerWaalsContact OD1-N 3.11Å; D465-L469 WeakPolarHBondContact O-CB 3.28Å; D465-L469 PolarHBondContact O-N 2.97Å
466R96.5Very high96.3Very high57 Ų5753.9 Ų53.922%0.21526%0.255CS..Hα-helixtrans-55.3-38.8-178.9-166.8-171.967.4174.8-7.8112.7D35 H38 L469 E470D35-R466 IonicContact OD1-CZ 2.79Å; D35-R466 VanDerWaalsContact OD1-CZ 3.26Å; D35-R466 IonicContact OD1-NE 2.77Å; D35-R466 IonicContact OD1-NH1 3.7Å; D35-R466 PolarHBondContact OD1-NH1 3.38Å; D35-R466 IonicContact OD1-NH2 3.57Å; H38-R466 HydrophobicContact CB-CG 4.06Å; R466-L469 PolarHBondContact O-N 2.9Å; R466-E470 WeakPolarHBondContact CD-OE1 3.36Å; R466-E470 HydrophobicContact CG-CG 4.3Å; R466-E470 WeakPolarHBondContact CG-OE1 3.43Å; R466-E470 IonicContact CZ-OE1 3.53Å; R466-E470 IonicContact NE-OE1 2.74Å; R466-E470 PolarHBondContact NE-OE1 3Å; R466-E470 WeakPolarHBondContact O-CB 3.46Å; R466-E470 WeakPolarHBondContact O-CG 3.43Å; R466-E470 PolarHBondContact O-N 3.45Å
467T97.3Very high96.6Very high81 Ų8152.4 Ų52.450%0.49725%0.248SC..Hα-helixtrans-67.5-45.5-176.5-53.90000110.2D465 Q471D465-T467 PolarHBondContact O-N 3.48Å; D465-T467 WeakPolarHBondContact OD1-CB 3.47Å; D465-T467 PolarHBondContact OD1-N 3.36Å; T467-Q471 WeakPolarHBondContact O-CG 3.46Å; T467-Q471 PolarHBondContact O-N 2.69Å
468R97.8Very high96.8Very high110 Ų11046.2 Ų46.242%0.41522%0.22SC..Hα-helixtrans-65.6-42175.8-173.4174.4-179.4176.6-4.2111.8E461 D465 Q471 M472E461-R468 IonicContact OE1-CZ 2.64Å; E461-R468 IonicContact OE1-NH1 3.54Å; E461-R468 PolarHBondContact OE1-NH1 3.29Å; E461-R468 IonicContact OE1-NH2 3.29Å; E461-R468 PolarHBondContact OE1-NH2 2.85Å; D465-R468 HydrophobicContact CB-CB 3.91Å; D465-R468 PolarHBondContact O-N 3.15Å; D465-R468 PolarHBondContact OD1-N 3.37Å; D465-R468 VanDerWaalsContact OD1-N 3.11Å; R468-Q471 PolarHBondContact O-N 3.49Å; R468-M472 PolarHBondContact O-N 3.42Å
469L98.3Very high96.8Very high0 Ų043.5 Ų43.50%021%0.212CC..Hα-helixtrans-57.9-55.1175.6177.265.4000110.8H38 L41 M141 V462 D465 R466 Q471 M472 Y477H38-L469 VanDerWaalsContact CD2-CD2 3.49Å; H38-L469 WeakPolarHBondContact CD2-CD2 3.45Å; L41-L469 HydrophobicContact CD2-CD2 4.02Å; M141-L469 HydrophobicContact CB-CD1 4.24Å; M141-L469 HydrophobicContact CB-CG 4.33Å; M141-L469 VanDerWaalsContact CB-O 3.28Å; M141-L469 WeakPolarHBondContact CB-O 3.35Å; M141-L469 HydrophobicContact CG-CD1 4.05Å; V462-L469 HydrophobicContact CG1-CD1 4.24Å; D465-L469 WeakPolarHBondContact O-CB 3.28Å; D465-L469 PolarHBondContact O-N 2.97Å; R466-L469 PolarHBondContact O-N 2.9Å; L469-Q471 PolarHBondContact O-N 2.82Å; L469-Q471 VanDerWaalsContact O-N 3.12Å; L469-M472 WeakPolarHBondContact O-CB 3.48Å; L469-M472 PolarHBondContact O-N 3.05Å; L469-Y477 HydrophobicContact CD1-CD1 4.48Å; L469-Y477 HydrophobicContact CD1-CD2 3.76Å; L469-Y477 HydrophobicContact CD1-CE1 4.21Å; L469-Y477 HydrophobicContact CD1-CE2 3.46Å; L469-Y477 VanDerWaalsContact CD1-CE2 3.46Å; L469-Y477 HydrophobicContact CD1-CG 4.26Å
470E98.3Very high96.6Very high28 Ų2844.2 Ų44.213%0.13122%0.215CC..Hα-helixtrans-53.3-35.6-177.2-84.4-179.6-154.900113.2T140 K142 L145 R466T140-E470 WeakPolarHBondContact CB-O 3.39Å; K142-E470 HydrophobicContact CB-CB 3.98Å; K142-E470 HydrophobicContact CB-CG 4.13Å; K142-E470 WeakPolarHBondContact CB-O 3.46Å; K142-E470 HydrophobicContact CG-CG 4.37Å; K142-E470 PolarHBondContact N-O 3.02Å; L145-E470 HydrophobicContact CD1-CG 3.96Å; R466-E470 WeakPolarHBondContact CD-OE1 3.36Å; R466-E470 HydrophobicContact CG-CG 4.3Å; R466-E470 WeakPolarHBondContact CG-OE1 3.43Å; R466-E470 IonicContact CZ-OE1 3.53Å; R466-E470 IonicContact NE-OE1 2.74Å; R466-E470 PolarHBondContact NE-OE1 3Å; R466-E470 WeakPolarHBondContact O-CB 3.46Å; R466-E470 WeakPolarHBondContact O-CG 3.43Å; R466-E470 PolarHBondContact O-N 3.45Å
471Q98Very high96.3Very high141 Ų14142.9 Ų42.966%0.65921%0.208SC*.Hα-helixtrans-81.4-18.5-179.4-66.5173.9700113.6T467 R468 L469T467-Q471 WeakPolarHBondContact O-CG 3.46Å; T467-Q471 PolarHBondContact O-N 2.69Å; R468-Q471 PolarHBondContact O-N 3.49Å; L469-Q471 PolarHBondContact O-N 2.82Å; L469-Q471 VanDerWaalsContact O-N 3.12Å
472M98.1Very high95.4Very high29 Ų2938.7 Ų38.714%0.14319%0.188CC..SBendtrans-70.9136.7-174-167171-167.400111.6T140 M141 V462 R468 L469 E476 Y477 L480T140-M472 WeakPolarHBondContact CA-O 3.41Å; M141-M472 PolarHBondContact N-O 3.21Å; V462-M472 HydrophobicContact CB-SD 4.46Å; V462-M472 HydrophobicContact CG1-SD 3.53Å; V462-M472 VanDerWaalsContact CG1-SD 3.53Å; V462-M472 HydrophobicContact CG2-SD 4.28Å; R468-M472 PolarHBondContact O-N 3.42Å; L469-M472 WeakPolarHBondContact O-CB 3.48Å; L469-M472 PolarHBondContact O-N 3.05Å; M472-E476 HydrophobicContact CE-CB 3.65Å; M472-E476 HydrophobicContact CG-CB 4.4Å; M472-Y477 HydrophobicContact SD-CD2 3.97Å; M472-Y477 HydrophobicContact SD-CG 4.45Å; M472-L480 HydrophobicContact CE-CD1 3.99Å; M472-L480 HydrophobicContact CE-CD2 4.49Å; M472-L480 HydrophobicContact CE-CG 4.2Å; M472-L480 HydrophobicContact SD-CD1 4.23Å
473P98.5Very high94.1Very high27 Ų2740.1 Ų40.118%0.17519%0.194CC..BIsolated β-bridgetrans-56.6136.2167.2-29.739000112.7P138 L139 N475 E476 Y477P138-P473 HydrophobicContact CB-CB 4.1Å; P138-P473 HydrophobicContact CG-CB 3.56Å; P138-P473 HydrophobicContact CG-CG 3.86Å; L139-P473 WeakPolarHBondContact O-CA 3.35Å; P473-N475 VanDerWaalsContact C-N 3.32Å; P473-N475 PolarHBondContact O-N 3.07Å; P473-E476 HydrophobicContact CB-CB 4.15Å; P473-E476 HydrophobicContact CB-CG 3.95Å; P473-E476 HydrophobicContact CG-CG 4.32Å; P473-E476 PolarHBondContact O-N 3.03Å; P473-E476 VanDerWaalsContact O-N 3.13Å; P473-Y477 PolarHBondContact O-N 3.34Å
474V98.4Very high92.8Very high0 Ų041.4 Ų41.40%020%0.203CC..Hα-helixtrans-58.5-44.3-177.5176.30000111.5L121 A124 D125 L139 M141 V144 E476 Y477 L478L121-V474 HydrophobicContact CD1-CG1 4.43Å; A124-V474 HydrophobicContact CB-CG1 3.97Å; A124-V474 HydrophobicContact CB-CG2 4.18Å; D125-V474 HydrophobicContact CB-CG1 4.11Å; L139-V474 HydrophobicContact CB-CG2 4.18Å; L139-V474 WeakPolarHBondContact O-CG2 3.31Å; L139-V474 PolarHBondContact O-N 3.03Å; M141-V474 HydrophobicContact SD-CB 4.21Å; M141-V474 HydrophobicContact SD-CG1 4.21Å; M141-V474 HydrophobicContact SD-CG2 3.84Å; V144-V474 HydrophobicContact CG2-CG1 4.39Å; V144-V474 HydrophobicContact CG2-CG2 3.6Å; V474-E476 VanDerWaalsContact C-N 3.29Å; V474-E476 PolarHBondContact O-N 3.43Å; V474-Y477 PolarHBondContact O-N 3.28Å; V474-L478 HydrophobicContact CG1-CD1 3.68Å; V474-L478 WeakPolarHBondContact O-CD1 3.32Å; V474-L478 PolarHBondContact O-N 3.35Å
475N95.9Very high91.8Very high15 Ų1540.7 Ų40.78%0.0820%0.197CC..Hα-helixtrans-64.2-33.6-18062.6-72.7000113.4D125 S128 R129 P138 P473 D479D125-N475 VanDerWaalsContact OD1-CA 3.23Å; D125-N475 WeakPolarHBondContact OD1-CA 3.47Å; S128-N475 WeakPolarHBondContact CB-OD1 3.4Å; R129-N475 HydrophobicContact CG-CB 3.69Å; R129-N475 PolarHBondContact NH2-O 2.83Å; P138-N475 WeakPolarHBondContact CB-OD1 3.45Å; P473-N475 VanDerWaalsContact C-N 3.32Å; P473-N475 PolarHBondContact O-N 3.07Å; N475-D479 WeakPolarHBondContact O-CB 3.36Å; N475-D479 PolarHBondContact O-N 2.69Å; N475-D479 VanDerWaalsContact O-N 3.09Å
476E94.8Very high90.9Very high97 Ų9738 Ų3845%0.45319%0.185SC..Hα-helixtrans-73.3-40175.9-65.9-179.5-163.500110.7M472 P473 V474 D479 L480M472-E476 HydrophobicContact CE-CB 3.65Å; M472-E476 HydrophobicContact CG-CB 4.4Å; P473-E476 HydrophobicContact CB-CB 4.15Å; P473-E476 HydrophobicContact CB-CG 3.95Å; P473-E476 HydrophobicContact CG-CG 4.32Å; P473-E476 PolarHBondContact O-N 3.03Å; P473-E476 VanDerWaalsContact O-N 3.13Å; V474-E476 VanDerWaalsContact C-N 3.29Å; V474-E476 PolarHBondContact O-N 3.43Å; E476-D479 WeakPolarHBondContact O-CB 3.39Å; E476-D479 PolarHBondContact O-N 2.86Å; E476-L480 PolarHBondContact O-N 3.3Å
477Y96.7Very high90.5Very high1 Ų137.5 Ų37.50%0.00419%0.187CC..Hα-helixtrans-61.4-45.6176.1-175.7-114.7000111.3L41 L45 M141 V462 S463 L469 M472 P473 V474 D479 L480 Y481L41-Y477 HydrophobicContact CD2-CE1 4.4Å; L45-Y477 HydrophobicContact CD1-CE1 3.85Å; M141-Y477 HydrophobicContact CE-CD1 3.64Å; M141-Y477 HydrophobicContact CE-CE1 3.81Å; M141-Y477 HydrophobicContact CE-CG 4.48Å; M141-Y477 HydrophobicContact CG-CD1 4.12Å; M141-Y477 HydrophobicContact CG-CG 4.06Å; M141-Y477 HydrophobicContact SD-CD1 3.53Å; M141-Y477 VanDerWaalsContact SD-CD1 3.53Å; M141-Y477 HydrophobicContact SD-CE1 4.33Å; M141-Y477 HydrophobicContact SD-CG 4Å; V462-Y477 HydrophobicContact CG1-CD2 4.14Å; V462-Y477 HydrophobicContact CG1-CE2 4.27Å; S463-Y477 WeakPolarHBondContact OG-CE2 3.22Å; S463-Y477 PolarHBondContact OG-OH 3.06Å; L469-Y477 HydrophobicContact CD1-CD1 4.48Å; L469-Y477 HydrophobicContact CD1-CD2 3.76Å; L469-Y477 HydrophobicContact CD1-CE1 4.21Å; L469-Y477 HydrophobicContact CD1-CE2 3.46Å; L469-Y477 VanDerWaalsContact CD1-CE2 3.46Å; L469-Y477 HydrophobicContact CD1-CG 4.26Å; M472-Y477 HydrophobicContact SD-CD2 3.97Å; M472-Y477 HydrophobicContact SD-CG 4.45Å; P473-Y477 PolarHBondContact O-N 3.34Å; V474-Y477 PolarHBondContact O-N 3.28Å; Y477-D479 VanDerWaalsContact C-N 3.3Å; Y477-D479 PolarHBondContact O-N 2.8Å; Y477-L480 HydrophobicContact CD2-CD1 4.02Å; Y477-L480 HydrophobicContact CE2-CD1 4.47Å; Y477-L480 VanDerWaalsContact O-CB 3.26Å; Y477-L480 WeakPolarHBondContact O-CB 3.33Å; Y477-L480 PolarHBondContact O-N 3.13Å; Y477-L480 VanDerWaalsContact O-N 3.12Å; Y477-Y481 HydrophobicContact CD1-CE2 4.25Å; Y477-Y481 AromaticContact CE1-CE2 3.83Å; Y477-Y481 HydrophobicContact CE1-CE2 3.83Å; Y477-Y481 HydrophobicContact CE2-CE2 4.14Å; Y477-Y481 AromaticContact CZ-CE2 3.77Å; Y477-Y481 WeakPolarHBondContact O-CD2 3.12Å; Y477-Y481 PolarHBondContact OH-OH 3.21Å
478L95.1Very high90.5Very high1 Ų133.6 Ų33.61%0.00516%0.163CC..Hα-helixtrans-67.9-28.7176.1-84.780.9000112.9R75 P77 L121 D125 V474 L480 Y481R75-L478 WeakPolarHBondContact O-CD2 3.3Å; P77-L478 HydrophobicContact CG-CD2 4.36Å; L121-L478 HydrophobicContact CD1-CD1 3.81Å; L121-L478 HydrophobicContact CD2-CD1 4.37Å; L121-L478 HydrophobicContact CD2-CD2 4.32Å; L121-L478 HydrophobicContact CG-CD1 4.05Å; L121-L478 HydrophobicContact CG-CD2 4.18Å; D125-L478 HydrophobicContact CB-CD1 4.48Å; D125-L478 HydrophobicContact CB-CD2 3.8Å; V474-L478 HydrophobicContact CG1-CD1 3.68Å; V474-L478 WeakPolarHBondContact O-CD1 3.32Å; V474-L478 PolarHBondContact O-N 3.35Å; L478-L480 PolarHBondContact O-N 3.33Å; L478-Y481 PolarHBondContact O-N 3.29Å
479D90.9Very high90.5Very high32 Ų3228.5 Ų28.517%0.17114%0.144CC..Hα-helixtrans-65.8-22.4173.7-80.28.3000112.4R75 R129 N475 E476 Y477 Y481 K482R75-D479 WeakPolarHBondContact CD-OD1 3.35Å; R75-D479 IonicContact CZ-OD1 3.64Å; R75-D479 IonicContact NE-OD1 2.68Å; R75-D479 IonicContact NH1-OD1 2.78Å; R75-D479 PolarHBondContact NH1-OD1 3.37Å; R75-D479 IonicContact NH1-OD2 3.61Å; R75-D479 PolarHBondContact NH1-OD2 3.34Å; R129-D479 IonicContact CZ-OD1 3.86Å; R129-D479 VanDerWaalsContact CZ-OD1 3.31Å; R129-D479 IonicContact NH1-OD1 3.6Å; R129-D479 PolarHBondContact NH1-OD1 3.35Å; R129-D479 IonicContact NH1-OD2 2.92Å; R129-D479 IonicContact NH2-OD1 3.61Å; R129-D479 PolarHBondContact NH2-OD1 2.99Å; N475-D479 WeakPolarHBondContact O-CB 3.36Å; N475-D479 PolarHBondContact O-N 2.69Å; N475-D479 VanDerWaalsContact O-N 3.09Å; E476-D479 WeakPolarHBondContact O-CB 3.39Å; E476-D479 PolarHBondContact O-N 2.86Å; Y477-D479 VanDerWaalsContact C-N 3.3Å; Y477-D479 PolarHBondContact O-N 2.8Å; D479-Y481 PolarHBondContact O-N 2.92Å; D479-K482 PolarHBondContact O-N 2.92Å
480L91.1Very high90.5Very high15 Ų1528.5 Ų28.58%0.07914%0.144CC..THydrogen-bonded Turntrans-65.8-23.3169.7-57.2178.3000112.5Q455 I459 V462 M472 E476 Y477 L478 K482Q455-L480 PolarHBondContact NE2-O 2.91Å; I459-L480 WeakPolarHBondContact CD1-O 3.37Å; I459-L480 HydrophobicContact CG1-CB 3.82Å; V462-L480 HydrophobicContact CB-CD1 4.27Å; V462-L480 HydrophobicContact CG2-CD1 4.15Å; M472-L480 HydrophobicContact CE-CD1 3.99Å; M472-L480 HydrophobicContact CE-CD2 4.49Å; M472-L480 HydrophobicContact CE-CG 4.2Å; M472-L480 HydrophobicContact SD-CD1 4.23Å; E476-L480 PolarHBondContact O-N 3.3Å; Y477-L480 HydrophobicContact CD2-CD1 4.02Å; Y477-L480 HydrophobicContact CE2-CD1 4.47Å; Y477-L480 VanDerWaalsContact O-CB 3.26Å; Y477-L480 WeakPolarHBondContact O-CB 3.33Å; Y477-L480 PolarHBondContact O-N 3.13Å; Y477-L480 VanDerWaalsContact O-N 3.12Å; L478-L480 PolarHBondContact O-N 3.33Å; L480-K482 PolarHBondContact O-N 3.42Å
481Y91Very high90.4Very high2 Ų227.5 Ų27.51%0.00814%0.14CC..THydrogen-bonded Turntrans-90.917176.9-63.4-95.7000112.5L45 L49 P77 G78 L447 F451 I459 Y477 L478 D479L45-Y481 HydrophobicContact CD1-CE2 4.43Å; L49-Y481 HydrophobicContact CD1-CD1 4.24Å; L49-Y481 HydrophobicContact CD1-CE1 4.11Å; L49-Y481 HydrophobicContact CD2-CD1 4.42Å; P77-Y481 HydrophobicContact CB-CD1 4.24Å; P77-Y481 HydrophobicContact CB-CG 4.05Å; G78-Y481 PolarHBondContact N-O 3.47Å; G78-Y481 VanDerWaalsContact N-O 3.11Å; L447-Y481 HydrophobicContact CD2-CE1 4.13Å; F451-Y481 WeakPolarHBondContact CE1-O 3.42Å; F451-Y481 AromaticContact CE2-CD1 3.92Å; F451-Y481 HydrophobicContact CE2-CD1 3.92Å; F451-Y481 HydrophobicContact CZ-CD1 4.06Å; F451-Y481 HydrophobicContact CZ-CG 4.49Å; F451-Y481 WeakPolarHBondContact CZ-O 3.39Å; I459-Y481 HydrophobicContact CD1-CD1 4.23Å; I459-Y481 HydrophobicContact CD1-CE1 4.3Å; I459-Y481 HydrophobicContact CG2-CE1 4.15Å; I459-Y481 HydrophobicContact CG2-CE2 4.41Å; Y477-Y481 HydrophobicContact CD1-CE2 4.25Å; Y477-Y481 AromaticContact CE1-CE2 3.83Å; Y477-Y481 HydrophobicContact CE1-CE2 3.83Å; Y477-Y481 HydrophobicContact CE2-CE2 4.14Å; Y477-Y481 AromaticContact CZ-CE2 3.77Å; Y477-Y481 WeakPolarHBondContact O-CD2 3.12Å; Y477-Y481 PolarHBondContact OH-OH 3.21Å; L478-Y481 PolarHBondContact O-N 3.29Å; D479-Y481 PolarHBondContact O-N 2.92Å
482K76.7Confident90.4Very high22 Ų2221.6 Ų21.610%0.09611%0.114CC..SBendtrans-122.6168.4170.3-60-66.8-167.9-175.90109.2V76 T79 F81 D479 L480 P484V76-K482 PolarHBondContact O-NZ 2.83Å; T79-K482 WeakPolarHBondContact O-CD 3.37Å; T79-K482 WeakPolarHBondContact O-CE 3.39Å; T79-K482 PolarHBondContact O-NZ 3Å; F81-K482 PolarHBondContact O-NZ 2.89Å; D479-K482 PolarHBondContact O-N 2.92Å; L480-K482 PolarHBondContact O-N 3.42Å; K482-P484 HydrophobicContact CB-CG 4.5Å; K482-P484 WeakPolarHBondContact O-CD 3.36Å
483Q68.3Low90.3Very high38 Ų3820.6 Ų20.618%0.17811%0.11CC..  trans-112.437179.4-61.4-172.18.500114.3F451 E485 A486F451-Q483 HydrophobicContact CD1-CG 4.48Å; Q483-E485 PolarHBondContact O-N 3.04Å; Q483-A486 HydrophobicContact CB-CB 3.78Å; Q483-A486 WeakPolarHBondContact O-CB 3.45Å; Q483-A486 PolarHBondContact O-N 3.36Å; Q483-A486 VanDerWaalsContact O-N 3.08Å
484P71.3Confident90Very high27 Ų2720.3 Ų20.318%0.17511%0.109CC..THydrogen-bonded Turntrans-66.2-24.9-179.630.9-35.4000112.1K482 T503 F504 R505K482-P484 HydrophobicContact CB-CG 4.5Å; K482-P484 WeakPolarHBondContact O-CD 3.36Å; P484-T503 WeakPolarHBondContact O-CB 3.46Å; P484-T503 PolarHBondContact O-OG1 3Å; P484-F504 PolarHBondContact O-N 3.28Å; P484-R505 HydrophobicContact CB-CB 4.4Å; P484-R505 WeakPolarHBondContact O-CB 3.4Å; P484-R505 PolarHBondContact O-N 3.22Å
485E76.1Confident89.8Confident57 Ų5721.9 Ų21.927%0.26612%0.116SC..THydrogen-bonded Turntrans-95.51.5177.3-51.7-44.7133.700113.1Q483 T503 R505Q483-E485 PolarHBondContact O-N 3.04Å; E485-T503 VanDerWaalsContact O-CG2 3.29Å; E485-T503 WeakPolarHBondContact O-CG2 3.4Å; E485-R505 IonicContact OE1-CZ 2.97Å; E485-R505 IonicContact OE1-NE 2.75Å; E485-R505 PolarHBondContact OE1-NE 2.85Å; E485-R505 IonicContact OE1-NH2 2.94Å; E485-R505 PolarHBondContact OE1-NH2 2.86Å; E485-R505 VanDerWaalsContact OE1-NH2 3.07Å
486A80.6Confident89.6Confident17 Ų1723.2 Ų23.214%0.1413%0.125CC..SBendtrans-68.3148.8169.500000109.5Q483 T503 F504Q483-A486 HydrophobicContact CB-CB 3.78Å; Q483-A486 WeakPolarHBondContact O-CB 3.45Å; Q483-A486 PolarHBondContact O-N 3.36Å; Q483-A486 VanDerWaalsContact O-N 3.08Å; A486-T503 CarbonylContact O-C 3.52Å; A486-T503 WeakPolarHBondContact O-CA 3.42Å; A486-T503 WeakPolarHBondContact O-CB 3.46Å; A486-F504 HydrophobicContact CB-CD2 4.25Å; A486-F504 WeakPolarHBondContact O-CD2 3.26Å; A486-F504 PolarHBondContact O-N 2.96Å
487L88.5Confident89.5Confident47 Ų4727.3 Ų27.325%0.24614%0.144CC..EExtended strand (participates in β ladder)trans-60.4138.1175.4-65.9176.7000109.4I490 F504 A720L487-I490 HydrophobicContact CD1-CD1 4.11Å; L487-I490 HydrophobicContact CD1-CG1 4.46Å; L487-F504 WeakPolarHBondContact O-CE2 3.37Å; L487-A720 HydrophobicContact CB-CB 3.85Å; L487-A720 WeakPolarHBondContact O-CA 3.37Å; L487-A720 VanDerWaalsContact O-CB 3.24Å; L487-A720 WeakPolarHBondContact O-CB 3.46Å
488A95.3Very high89.4Confident0 Ų030.4 Ų30.40%016%0.158CC..EExtended strand (participates in β ladder)trans-120.3-48.8178.400000111F502 F504 L507 L715 A720 T721A488-F502 PolarHBondContact N-O 3.12Å; A488-F504 HydrophobicContact CB-CB 4.26Å; A488-F504 HydrophobicContact CB-CD1 3.74Å; A488-F504 HydrophobicContact CB-CD2 3.75Å; A488-F504 HydrophobicContact CB-CE1 3.9Å; A488-F504 HydrophobicContact CB-CE2 3.91Å; A488-F504 HydrophobicContact CB-CG 3.66Å; A488-F504 HydrophobicContact CB-CZ 3.97Å; A488-L507 HydrophobicContact CB-CB 4.27Å; A488-L507 HydrophobicContact CB-CD2 3.78Å; A488-L715 HydrophobicContact CB-CD2 4.06Å; A488-L715 WeakPolarHBondContact O-CD2 3.38Å; A488-A720 CarbonylContact O-C 3.36Å; A488-A720 WeakPolarHBondContact O-CA 3.28Å; A488-T721 PolarHBondContact O-N 3.34Å
489L98.1Very high89.4Confident2 Ų234.4 Ų34.41%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-128.4130179.3176.263.5000110T501 F502 L507 A537 H540 T721 V723L489-T501 CarbonylContact O-C 3.52Å; L489-T501 WeakPolarHBondContact O-CA 3.45Å; L489-F502 HydrophobicContact CB-CB 4.26Å; L489-F502 HydrophobicContact CB-CD2 4.11Å; L489-F502 HydrophobicContact CD2-CD2 4.02Å; L489-F502 HydrophobicContact CD2-CE2 4.31Å; L489-F502 HydrophobicContact CG-CD2 4.09Å; L489-F502 PolarHBondContact N-O 3.48Å; L489-F502 PolarHBondContact O-N 3.19Å; L489-L507 HydrophobicContact CB-CD1 4.39Å; L489-L507 HydrophobicContact CB-CD2 4.22Å; L489-L507 HydrophobicContact CD2-CD1 4.07Å; L489-A537 HydrophobicContact CD2-CB 4.04Å; L489-H540 HydrophobicContact CD1-CB 4.36Å; L489-H540 HydrophobicContact CD2-CB 3.95Å; L489-T721 HydrophobicContact CD1-CG2 3.83Å; L489-V723 HydrophobicContact CD1-CB 4.46Å; L489-V723 HydrophobicContact CD1-CG1 3.84Å
490I98.1Very high89.7Confident0 Ų036.2 Ų36.20%018%0.181CC..EExtended strand (participates in β ladder)trans-122.8108.3176.5-61.8161.5000106.5L487 V492 T501 V694 A720 T721 I722 V723 Y743L487-I490 HydrophobicContact CD1-CD1 4.11Å; L487-I490 HydrophobicContact CD1-CG1 4.46Å; I490-V492 HydrophobicContact CG2-CG2 3.89Å; I490-T501 HydrophobicContact CG1-CG2 4.29Å; I490-T501 HydrophobicContact CG2-CG2 4.3Å; I490-V694 HydrophobicContact CD1-CG1 4.09Å; I490-A720 HydrophobicContact CD1-CB 4.12Å; I490-T721 PolarHBondContact N-O 2.93Å; I490-I722 HydrophobicContact CB-CG1 3.85Å; I490-I722 HydrophobicContact CD1-CG1 4Å; I490-I722 HydrophobicContact CG2-CG1 4.02Å; I490-I722 CarbonylContact O-C 3.44Å; I490-I722 VanDerWaalsContact O-CA 3.3Å; I490-I722 WeakPolarHBondContact O-CA 3.08Å; I490-V723 PolarHBondContact O-N 2.7Å; I490-Y743 HydrophobicContact CD1-CD1 3.78Å; I490-Y743 HydrophobicContact CD1-CE1 4.2Å; I490-Y743 HydrophobicContact CD1-CG 4.03Å; I490-Y743 HydrophobicContact CG1-CD1 4.46Å; I490-Y743 HydrophobicContact CG1-CE1 4.4Å; I490-Y743 HydrophobicContact CG2-CD1 4.2Å; I490-Y743 HydrophobicContact CG2-CD2 4.09Å; I490-Y743 HydrophobicContact CG2-CE1 3.7Å; I490-Y743 HydrophobicContact CG2-CE2 3.55Å; I490-Y743 HydrophobicContact CG2-CG 4.35Å; I490-Y743 WeakPolarHBondContact CG2-OH 3.3Å
491A97.9Very high90Very high7 Ų738.5 Ų38.56%0.05820%0.196CC..EExtended strand (participates in β ladder)trans-101.6119.5177.700000109.8E499 R500 A537 V723A491-E499 CarbonylContact O-C 3.51Å; A491-E499 WeakPolarHBondContact O-CA 3.47Å; A491-R500 PolarHBondContact N-O 3.28Å; A491-R500 PolarHBondContact O-N 3.07Å; A491-A537 HydrophobicContact CB-CB 3.89Å; A491-V723 VanDerWaalsContact CA-CG1 3.49Å; A491-V723 WeakPolarHBondContact CA-O 3.16Å; A491-V723 HydrophobicContact CB-CG1 3.51Å
492V96.8Very high90.3Very high17 Ų1739.4 Ų39.410%0.10320%0.2CC..EExtended strand (participates in β ladder)trans-126.4127-177.5-178.30000108.7I490 E499 V723 Y724 E725 I739 Y743I490-V492 HydrophobicContact CG2-CG2 3.89Å; V492-E499 HydrophobicContact CG2-CG 4.36Å; V492-V723 PolarHBondContact N-O 2.96Å; V492-Y724 HydrophobicContact CB-CD2 4.33Å; V492-Y724 HydrophobicContact CG1-CD2 4.24Å; V492-Y724 CarbonylContact O-C 3.44Å; V492-Y724 WeakPolarHBondContact O-CA 3.46Å; V492-E725 PolarHBondContact O-N 2.97Å; V492-I739 HydrophobicContact CG1-CD1 4.02Å; V492-I739 HydrophobicContact CG1-CG1 4.42Å; V492-Y743 HydrophobicContact CG2-CE2 3.95Å
493S96Very high91.1Very high9 Ų939.1 Ų39.16%0.06320%0.2CC..EExtended strand (participates in β ladder)trans-117.3118.3169-177.20000110.1E495 T496 E497 E498 E725S493-E495 PolarHBondContact O-N 3.11Å; S493-E495 PolarHBondContact OG-N 2.72Å; S493-T496 VanDerWaalsContact CB-OG1 3.31Å; S493-T496 WeakPolarHBondContact CB-OG1 3.24Å; S493-T496 PolarHBondContact OG-N 3.41Å; S493-T496 VanDerWaalsContact OG-N 3.13Å; S493-T496 PolarHBondContact OG-OG1 3.21Å; S493-E497 WeakPolarHBondContact O-CA 3.16Å; S493-E497 PolarHBondContact O-N 3Å; S493-E497 VanDerWaalsContact O-N 3.17Å; S493-E498 PolarHBondContact N-O 3.49Å; S493-E498 PolarHBondContact O-N 2.69Å; S493-E725 WeakPolarHBondContact CA-O 3.38Å; S493-E725 WeakPolarHBondContact CB-OE2 3.49Å; S493-E725 PolarHBondContact OG-OE2 3.12Å
494S93.7Very high92.2Very high21 Ų2139.8 Ų39.815%0.14720%0.203CC..THydrogen-bonded Turntrans-76.9-1116971.70000112.2Y724 E725 W730S494-Y724 WeakPolarHBondContact CB-OH 3.38Å; S494-Y724 PolarHBondContact OG-OH 3.36Å; S494-E725 PolarHBondContact N-O 3.29Å; S494-W730 PolarHBondContact OG-O 3.31Å
495E93Very high93Very high32 Ų3243.7 Ų43.715%0.1521%0.214CC..THydrogen-bonded Turntrans-89.2-35.7-175.9-56.6-73164.500111.9S493 A584 R585 G586 G587 E725 G726S493-E495 PolarHBondContact O-N 3.11Å; S493-E495 PolarHBondContact OG-N 2.72Å; E495-A584 HydrophobicContact CB-CB 3.54Å; E495-A584 HydrophobicContact CG-CB 4.17Å; E495-R585 WeakPolarHBondContact OE1-CA 3.43Å; E495-G586 PolarHBondContact OE1-N 3.08Å; E495-G586 PolarHBondContact OE2-N 3.41Å; E495-G586 VanDerWaalsContact OE2-N 3.11Å; E495-G587 PolarHBondContact OE2-N 3.11Å; E495-E725 HydrophobicContact CG-CG 4.42Å; E495-G726 WeakPolarHBondContact OE1-CA 3.41Å
496T92.7Very high93.9Very high44 Ų4445.4 Ų45.427%0.2722%0.222SC..THydrogen-bonded Turntrans-111.92179.465.90000113.5S493 E498 A584 L617S493-T496 VanDerWaalsContact CB-OG1 3.31Å; S493-T496 WeakPolarHBondContact CB-OG1 3.24Å; S493-T496 PolarHBondContact OG-N 3.41Å; S493-T496 VanDerWaalsContact OG-N 3.13Å; S493-T496 PolarHBondContact OG-OG1 3.21Å; T496-E498 PolarHBondContact O-N 3.43Å; T496-E498 VanDerWaalsContact OG1-CB 3.24Å; T496-E498 WeakPolarHBondContact OG1-CB 3.42Å; T496-A584 HydrophobicContact CG2-CB 4.42Å; T496-L617 HydrophobicContact CG2-CD1 4.06Å; T496-L617 HydrophobicContact CG2-CD2 3.98Å
497E91.6Very high94.7Very high182 Ų18245 Ų4585%0.8522%0.217SC*.  trans54.820.5-172.6-56.5-177.6176.300113.2S493S493-E497 WeakPolarHBondContact O-CA 3.16Å; S493-E497 PolarHBondContact O-N 3Å; S493-E497 VanDerWaalsContact O-N 3.17Å
498E93.9Very high95Very high66 Ų6646.4 Ų46.431%0.30822%0.223SC..  trans-85.9132.5-178.8-171-170.2147.300110S493 T496 R500S493-E498 PolarHBondContact N-O 3.49Å; S493-E498 PolarHBondContact O-N 2.69Å; T496-E498 PolarHBondContact O-N 3.43Å; T496-E498 VanDerWaalsContact OG1-CB 3.24Å; T496-E498 WeakPolarHBondContact OG1-CB 3.42Å; E498-R500 IonicContact OE1-CZ 3.8Å; E498-R500 IonicContact OE1-NE 2.89Å; E498-R500 PolarHBondContact OE1-NE 3Å; E498-R500 IonicContact OE1-NH2 2.81Å; E498-R500 PolarHBondContact OE1-NH2 2.89Å
499E96.5Very high95.1Very high85 Ų8549.1 Ų49.140%0.39724%0.237SC..EExtended strand (participates in β ladder)trans-134.1125.4173.7-174.1176.5130.600110.5A491 V492 K742 Y743A491-E499 CarbonylContact O-C 3.51Å; A491-E499 WeakPolarHBondContact O-CA 3.47Å; V492-E499 HydrophobicContact CG2-CG 4.36Å; E499-K742 WeakPolarHBondContact OE1-CE 3.43Å; E499-K742 IonicContact OE1-NZ 2.67Å; E499-K742 PolarHBondContact OE1-NZ 2.84Å; E499-K742 IonicContact OE2-NZ 3.46Å; E499-K742 PolarHBondContact OE2-NZ 3.15Å; E499-Y743 VanDerWaalsContact CG-OH 3.31Å; E499-Y743 WeakPolarHBondContact CG-OH 3.45Å; E499-Y743 PolarHBondContact OE1-OH 2.82Å; E499-Y743 PolarHBondContact OE2-OH 3.34Å
500R97.4Very high95Very high70 Ų7050.6 Ų50.626%0.26424%0.244SC..EExtended strand (participates in β ladder)trans-133.1130.2175.7-71.5-172.9-74161.3-6.1110.7A491 E498 F502 E538A491-R500 PolarHBondContact N-O 3.28Å; A491-R500 PolarHBondContact O-N 3.07Å; E498-R500 IonicContact OE1-CZ 3.8Å; E498-R500 IonicContact OE1-NE 2.89Å; E498-R500 PolarHBondContact OE1-NE 3Å; E498-R500 IonicContact OE1-NH2 2.81Å; E498-R500 PolarHBondContact OE1-NH2 2.89Å; R500-F502 HydrophobicContact CB-CE2 3.88Å; R500-F502 HydrophobicContact CB-CZ 4.26Å; R500-E538 IonicContact CZ-OE1 3.07Å; R500-E538 VanDerWaalsContact CZ-OE1 3.32Å; R500-E538 IonicContact CZ-OE2 2.77Å; R500-E538 IonicContact NH1-OE1 3.02Å; R500-E538 PolarHBondContact NH1-OE1 3.4Å; R500-E538 IonicContact NH1-OE2 3.27Å; R500-E538 IonicContact NH2-OE1 2.7Å; R500-E538 PolarHBondContact NH2-OE1 2.86Å; R500-E538 VanDerWaalsContact NH2-OE1 3.1Å; R500-E538 IonicContact NH2-OE2 3.22Å; R500-E538 PolarHBondContact NH2-OE2 2.78Å
501T96.6Very high95.1Very high63 Ų6351.2 Ų51.239%0.38725%0.248SC..EExtended strand (participates in β ladder)trans-118.6139.7177.261.20000110.6L489 I490 Y743L489-T501 CarbonylContact O-C 3.52Å; L489-T501 WeakPolarHBondContact O-CA 3.45Å; I490-T501 HydrophobicContact CG1-CG2 4.29Å; I490-T501 HydrophobicContact CG2-CG2 4.3Å; T501-Y743 HydrophobicContact CG2-CE1 4.27Å
502F97.2Very high95.1Very high22 Ų2250.9 Ų50.910%0.09625%0.245CC..EExtended strand (participates in β ladder)trans-125.6132178.8-56.2-98.2000109.4A488 L489 R500 Q506 L507 E510 A537 I541A488-F502 PolarHBondContact N-O 3.12Å; L489-F502 HydrophobicContact CB-CB 4.26Å; L489-F502 HydrophobicContact CB-CD2 4.11Å; L489-F502 HydrophobicContact CD2-CD2 4.02Å; L489-F502 HydrophobicContact CD2-CE2 4.31Å; L489-F502 HydrophobicContact CG-CD2 4.09Å; L489-F502 PolarHBondContact N-O 3.48Å; L489-F502 PolarHBondContact O-N 3.19Å; R500-F502 HydrophobicContact CB-CE2 3.88Å; R500-F502 HydrophobicContact CB-CZ 4.26Å; F502-Q506 HydrophobicContact CB-CB 4.3Å; F502-Q506 HydrophobicContact CD1-CB 4.4Å; F502-L507 HydrophobicContact CB-CB 4.17Å; F502-E510 HydrophobicContact CD1-CG 4.12Å; F502-E510 HydrophobicContact CE1-CG 3.94Å; F502-A537 HydrophobicContact CE2-CB 3.73Å; F502-A537 HydrophobicContact CZ-CB 4.09Å; F502-I541 HydrophobicContact CZ-CD1 4.48Å
503T93.8Very high95.2Very high16 Ų1650.3 Ų50.310%0.09824%0.242CC..EExtended strand (participates in β ladder)trans-72.5166.5163.868.80000111P484 E485 A486 R505 Q506 L507P484-T503 WeakPolarHBondContact O-CB 3.46Å; P484-T503 PolarHBondContact O-OG1 3Å; E485-T503 VanDerWaalsContact O-CG2 3.29Å; E485-T503 WeakPolarHBondContact O-CG2 3.4Å; A486-T503 CarbonylContact O-C 3.52Å; A486-T503 WeakPolarHBondContact O-CA 3.42Å; A486-T503 WeakPolarHBondContact O-CB 3.46Å; T503-R505 PolarHBondContact O-N 3.41Å; T503-Q506 PolarHBondContact O-N 3.37Å; T503-Q506 WeakPolarHBondContact OG1-CG 3.2Å; T503-Q506 PolarHBondContact OG1-N 3.33Å; T503-L507 WeakPolarHBondContact O-CB 3.47Å; T503-L507 PolarHBondContact O-N 3.01Å
504F91Very high95.3Very high52 Ų5249.9 Ų49.923%0.22824%0.239CC..Hα-helixtrans-55.7-38.4173.7-83.6-80.9000112.4P484 A486 L487 A488 H508 L715P484-F504 PolarHBondContact O-N 3.28Å; A486-F504 HydrophobicContact CB-CD2 4.25Å; A486-F504 WeakPolarHBondContact O-CD2 3.26Å; A486-F504 PolarHBondContact O-N 2.96Å; L487-F504 WeakPolarHBondContact O-CE2 3.37Å; A488-F504 HydrophobicContact CB-CB 4.26Å; A488-F504 HydrophobicContact CB-CD1 3.74Å; A488-F504 HydrophobicContact CB-CD2 3.75Å; A488-F504 HydrophobicContact CB-CE1 3.9Å; A488-F504 HydrophobicContact CB-CE2 3.91Å; A488-F504 HydrophobicContact CB-CG 3.66Å; A488-F504 HydrophobicContact CB-CZ 3.97Å; F504-H508 VanDerWaalsContact O-CB 3.22Å; F504-H508 WeakPolarHBondContact O-CB 3.33Å; F504-H508 PolarHBondContact O-N 3.09Å; F504-L715 HydrophobicContact CE1-CD2 4.02Å; F504-L715 HydrophobicContact CZ-CD2 4.29Å
505R87.8Confident95.5Very high109 Ų10948.9 Ų48.941%0.41123%0.232SC..Hα-helixtrans-63.4-49.9175.3-173.2-175.7-58-132.50.1111.5P484 E485 T503 H508 D509P484-R505 HydrophobicContact CB-CB 4.4Å; P484-R505 WeakPolarHBondContact O-CB 3.4Å; P484-R505 PolarHBondContact O-N 3.22Å; E485-R505 IonicContact OE1-CZ 2.97Å; E485-R505 IonicContact OE1-NE 2.75Å; E485-R505 PolarHBondContact OE1-NE 2.85Å; E485-R505 IonicContact OE1-NH2 2.94Å; E485-R505 PolarHBondContact OE1-NH2 2.86Å; E485-R505 VanDerWaalsContact OE1-NH2 3.07Å; T503-R505 PolarHBondContact O-N 3.41Å; R505-H508 WeakPolarHBondContact O-CB 3.46Å; R505-H508 PolarHBondContact O-N 3.2Å; R505-D509 PolarHBondContact O-N 2.7Å
506Q95.2Very high95.8Very high92 Ų9248.7 Ų48.743%0.4323%0.234SC..Hα-helixtrans-63.7-45.8-179.3-69.9169.7-28.500111.3F502 T503 H508 D509 E510F502-Q506 HydrophobicContact CB-CB 4.3Å; F502-Q506 HydrophobicContact CD1-CB 4.4Å; T503-Q506 PolarHBondContact O-N 3.37Å; T503-Q506 WeakPolarHBondContact OG1-CG 3.2Å; T503-Q506 PolarHBondContact OG1-N 3.33Å; Q506-H508 VanDerWaalsContact C-N 3.3Å; Q506-H508 PolarHBondContact O-N 2.98Å; Q506-D509 PolarHBondContact O-N 2.84Å; Q506-D509 VanDerWaalsContact O-N 3.14Å; Q506-E510 WeakPolarHBondContact O-CG 3.38Å; Q506-E510 PolarHBondContact O-N 3.42Å
507L97.5Very high96.1Very high8 Ų846.6 Ų46.64%0.04222%0.221CC..Hα-helixtrans-59.8-42.3176-178.760.5000111.2A488 L489 F502 T503 D509 E510 V511 I541 L544 L715A488-L507 HydrophobicContact CB-CB 4.27Å; A488-L507 HydrophobicContact CB-CD2 3.78Å; L489-L507 HydrophobicContact CB-CD1 4.39Å; L489-L507 HydrophobicContact CB-CD2 4.22Å; L489-L507 HydrophobicContact CD2-CD1 4.07Å; F502-L507 HydrophobicContact CB-CB 4.17Å; T503-L507 WeakPolarHBondContact O-CB 3.47Å; T503-L507 PolarHBondContact O-N 3.01Å; L507-D509 VanDerWaalsContact C-N 3.34Å; L507-D509 PolarHBondContact O-N 3.28Å; L507-E510 PolarHBondContact O-N 3.3Å; L507-V511 HydrophobicContact CD1-CG2 4.34Å; L507-V511 WeakPolarHBondContact O-CB 3.34Å; L507-V511 VanDerWaalsContact O-CG2 3.24Å; L507-V511 WeakPolarHBondContact O-CG2 3.4Å; L507-V511 PolarHBondContact O-N 2.73Å; L507-I541 HydrophobicContact CD1-CG1 3.86Å; L507-L544 HydrophobicContact CD1-CD1 4.14Å; L507-L544 HydrophobicContact CD2-CD1 4.07Å; L507-L544 HydrophobicContact CG-CD1 4.27Å; L507-L715 HydrophobicContact CD2-CD1 3.96Å; L507-L715 HydrophobicContact CD2-CD2 4.03Å
508H95.7Very high96.4Very high78 Ų7837.9 Ų37.936%0.36118%0.18SC..Hα-helixtrans-61-42.1175172.3-95.1000112.3F504 R505 Q506 V511 N512 R548 R641F504-H508 VanDerWaalsContact O-CB 3.22Å; F504-H508 WeakPolarHBondContact O-CB 3.33Å; F504-H508 PolarHBondContact O-N 3.09Å; R505-H508 WeakPolarHBondContact O-CB 3.46Å; R505-H508 PolarHBondContact O-N 3.2Å; Q506-H508 VanDerWaalsContact C-N 3.3Å; Q506-H508 PolarHBondContact O-N 2.98Å; H508-V511 PolarHBondContact O-N 3.41Å; H508-N512 PolarHBondContact CE1-ND2 2.98Å; H508-N512 PolarHBondContact ND1-ND2 3.13Å; H508-N512 PolarHBondContact NE2-ND2 3.21Å; H508-N512 VanDerWaalsContact NE2-ND2 3.13Å; H508-N512 PolarHBondContact O-N 2.7Å; H508-N512 PolarHBondContact O-ND2 3.35Å; H508-R548 PolarHBondContact NE2-NH1 3.11Å; H508-R641 PolarHBondContact CE1-NH1 2.95Å; H508-R641 VanDerWaalsContact CE1-NH1 3.34Å; H508-R641 PolarHBondContact ND1-NH1 3.02Å
509D95.8Very high96.7Very high57 Ų5740.1 Ų40.131%0.30519%0.186SC..Hα-helixtrans-65-42.5177.5-68.5-17.5000111.6R505 Q506 L507 N512 A513 R641R505-D509 PolarHBondContact O-N 2.7Å; Q506-D509 PolarHBondContact O-N 2.84Å; Q506-D509 VanDerWaalsContact O-N 3.14Å; L507-D509 VanDerWaalsContact C-N 3.34Å; L507-D509 PolarHBondContact O-N 3.28Å; D509-N512 PolarHBondContact O-N 3.39Å; D509-A513 PolarHBondContact O-N 2.85Å; D509-R641 IonicContact OD1-CZ 3.61Å; D509-R641 IonicContact OD1-NH1 3.53Å; D509-R641 PolarHBondContact OD1-NH1 3.35Å; D509-R641 IonicContact OD1-NH2 3.56Å; D509-R641 PolarHBondContact OD1-NH2 3.22Å
510E98Very high96.7Very high33 Ų3339.1 Ų39.115%0.15419%0.189CC..Hα-helixtrans-60.5-45.9173.3-69.2-54.9145.500112.4F502 Q506 L507 N512 A513 V514 I541 R634F502-E510 HydrophobicContact CD1-CG 4.12Å; F502-E510 HydrophobicContact CE1-CG 3.94Å; Q506-E510 WeakPolarHBondContact O-CG 3.38Å; Q506-E510 PolarHBondContact O-N 3.42Å; L507-E510 PolarHBondContact O-N 3.3Å; E510-N512 PolarHBondContact O-N 3.18Å; E510-A513 PolarHBondContact O-N 2.73Å; E510-A513 VanDerWaalsContact O-N 3.17Å; E510-V514 WeakPolarHBondContact O-CG2 3.43Å; E510-V514 PolarHBondContact O-N 2.88Å; E510-I541 HydrophobicContact CB-CD1 3.97Å; E510-I541 HydrophobicContact CB-CG1 4.25Å; E510-I541 HydrophobicContact CB-CG2 3.92Å; E510-I541 HydrophobicContact CG-CD1 4.2Å; E510-R634 VanDerWaalsContact CD-NH2 3.32Å; E510-R634 IonicContact OE1-CZ 3.68Å; E510-R634 IonicContact OE1-NE 2.67Å; E510-R634 IonicContact OE1-NH2 2.71Å; E510-R634 PolarHBondContact OE1-NH2 3.46Å; E510-R634 IonicContact OE2-CZ 3.2Å; E510-R634 IonicContact OE2-NE 3.53Å; E510-R634 PolarHBondContact OE2-NE 2.84Å; E510-R634 IonicContact OE2-NH2 2.73Å; E510-R634 PolarHBondContact OE2-NH2 3.31Å
511V98.5Very high96.8Very high13 Ų1336.8 Ų36.88%0.07918%0.181CC..Hα-helixtrans-60.7-36177.9167.80000111.1L507 H508 A515 I541 L544 A545 R548L507-V511 HydrophobicContact CD1-CG2 4.34Å; L507-V511 WeakPolarHBondContact O-CB 3.34Å; L507-V511 VanDerWaalsContact O-CG2 3.24Å; L507-V511 WeakPolarHBondContact O-CG2 3.4Å; L507-V511 PolarHBondContact O-N 2.73Å; H508-V511 PolarHBondContact O-N 3.41Å; V511-A515 WeakPolarHBondContact O-CB 3.38Å; V511-A515 PolarHBondContact O-N 2.96Å; V511-I541 HydrophobicContact CG2-CG2 4.18Å; V511-L544 HydrophobicContact CG1-CB 4.24Å; V511-L544 HydrophobicContact CG2-CB 3.57Å; V511-L544 HydrophobicContact CG2-CD1 3.97Å; V511-L544 HydrophobicContact CG2-CG 4.45Å; V511-A545 HydrophobicContact CG1-CB 4.47Å; V511-R548 HydrophobicContact CG1-CB 4.32Å
512N98.5Very high96.8Very high0 Ų035 Ų350%018%0.175CC..Hα-helixtrans-69.3-43.1174.9-82.5-89.8000112.5H508 D509 E510 A515 S516 R548 A640 V642H508-N512 PolarHBondContact CE1-ND2 2.98Å; H508-N512 PolarHBondContact ND1-ND2 3.13Å; H508-N512 PolarHBondContact NE2-ND2 3.21Å; H508-N512 VanDerWaalsContact NE2-ND2 3.13Å; H508-N512 PolarHBondContact O-N 2.7Å; H508-N512 PolarHBondContact O-ND2 3.35Å; D509-N512 PolarHBondContact O-N 3.39Å; E510-N512 PolarHBondContact O-N 3.18Å; N512-A515 PolarHBondContact O-N 3.07Å; N512-S516 WeakPolarHBondContact O-CB 3.15Å; N512-S516 PolarHBondContact O-N 2.64Å; N512-R548 VanDerWaalsContact OD1-CZ 3.3Å; N512-R548 PolarHBondContact OD1-NE 3.2Å; N512-R548 PolarHBondContact OD1-NH2 2.94Å; N512-A640 WeakPolarHBondContact CB-O 3.42Å; N512-V642 WeakPolarHBondContact O-CG2 3.44Å; N512-V642 PolarHBondContact OD1-N 2.81Å; N512-V642 PolarHBondContact OD1-O 3.47Å
513A98.5Very high96.9Very high4 Ų434 Ų343%0.03317%0.171CC..Hα-helixtrans-59.1-50.7176.500000110.2D509 E510 A515 S516 M517 H637D509-A513 PolarHBondContact O-N 2.85Å; E510-A513 PolarHBondContact O-N 2.73Å; E510-A513 VanDerWaalsContact O-N 3.17Å; A513-A515 PolarHBondContact O-N 2.97Å; A513-S516 WeakPolarHBondContact O-CB 3.29Å; A513-S516 PolarHBondContact O-N 2.87Å; A513-S516 VanDerWaalsContact O-N 3.11Å; A513-M517 VanDerWaalsContact O-CG 3.27Å; A513-M517 WeakPolarHBondContact O-CG 3.34Å; A513-M517 PolarHBondContact O-N 3.37Å; A513-H637 HydrophobicContact CB-CB 4.48Å
514V98.7Very high97Very high0 Ų040 Ų400%020%0.198CC..Hα-helixtrans-65.3-41.3179179.60000111.9E510 S516 M517 L518 I541 A545 F630E510-V514 WeakPolarHBondContact O-CG2 3.43Å; E510-V514 PolarHBondContact O-N 2.88Å; V514-S516 PolarHBondContact O-N 2.98Å; V514-M517 HydrophobicContact CB-SD 4.32Å; V514-M517 HydrophobicContact CG2-SD 3.95Å; V514-M517 WeakPolarHBondContact O-CA 3.48Å; V514-M517 WeakPolarHBondContact O-CB 3.49Å; V514-M517 PolarHBondContact O-N 3.11Å; V514-M517 VanDerWaalsContact O-N 3.07Å; V514-L518 HydrophobicContact CG1-CG 4.27Å; V514-L518 VanDerWaalsContact O-CG 3.32Å; V514-L518 WeakPolarHBondContact O-CG 3.44Å; V514-L518 PolarHBondContact O-N 3.38Å; V514-I541 HydrophobicContact CB-CG2 3.93Å; V514-I541 HydrophobicContact CG2-CG2 3.49Å; V514-I541 VanDerWaalsContact CG2-CG2 3.49Å; V514-A545 HydrophobicContact CB-CB 3.9Å; V514-A545 HydrophobicContact CG1-CB 3.64Å; V514-F630 HydrophobicContact CG1-CZ 4.48Å; V514-F630 HydrophobicContact CG2-CE1 4.28Å; V514-F630 HydrophobicContact CG2-CE2 4.42Å; V514-F630 HydrophobicContact CG2-CZ 3.61Å
515A98.7Very high97.3Very high0 Ų043.8 Ų43.80%021%0.211CC..Hα-helixtrans-57.6-35.8173.700000112.5V511 N512 A513 R519 A545 I549 V642V511-A515 WeakPolarHBondContact O-CB 3.38Å; V511-A515 PolarHBondContact O-N 2.96Å; N512-A515 PolarHBondContact O-N 3.07Å; A513-A515 PolarHBondContact O-N 2.97Å; A515-R519 PolarHBondContact O-N 3.12Å; A515-A545 HydrophobicContact CB-CB 4.18Å; A515-I549 HydrophobicContact CB-CG2 3.67Å; A515-V642 HydrophobicContact CB-CB 4.07Å; A515-V642 HydrophobicContact CB-CG1 4.13Å; A515-V642 HydrophobicContact CB-CG2 3.99Å
516S98.7Very high97.7Very high28 Ų2840 Ų4020%0.19621%0.205CC..Hα-helixtrans-71.6-39.1176.3-164.10000111.6N512 A513 V514 R519 S520 H637N512-S516 WeakPolarHBondContact O-CB 3.15Å; N512-S516 PolarHBondContact O-N 2.64Å; A513-S516 WeakPolarHBondContact O-CB 3.29Å; A513-S516 PolarHBondContact O-N 2.87Å; A513-S516 VanDerWaalsContact O-N 3.11Å; V514-S516 PolarHBondContact O-N 2.98Å; S516-R519 PolarHBondContact O-N 3.33Å; S516-S520 PolarHBondContact O-N 2.86Å; S516-H637 VanDerWaalsContact CB-ND1 3.32Å; S516-H637 WeakPolarHBondContact CB-ND1 3.4Å; S516-H637 PolarHBondContact OG-CE1 3.14Å; S516-H637 PolarHBondContact OG-ND1 3Å
517M98.7Very high97.8Very high0 Ų037.1 Ų37.10%019%0.193CC..Hα-helixtrans-60.4-47.1172.1-60.9161.455.300111.8A513 V514 R519 S520 L521 L611 F630 L633 R634 H637A513-M517 VanDerWaalsContact O-CG 3.27Å; A513-M517 WeakPolarHBondContact O-CG 3.34Å; A513-M517 PolarHBondContact O-N 3.37Å; V514-M517 HydrophobicContact CB-SD 4.32Å; V514-M517 HydrophobicContact CG2-SD 3.95Å; V514-M517 WeakPolarHBondContact O-CA 3.48Å; V514-M517 WeakPolarHBondContact O-CB 3.49Å; V514-M517 PolarHBondContact O-N 3.11Å; V514-M517 VanDerWaalsContact O-N 3.07Å; M517-R519 VanDerWaalsContact C-N 3.3Å; M517-R519 PolarHBondContact O-N 3.17Å; M517-S520 WeakPolarHBondContact CA-OG 3.24Å; M517-S520 PolarHBondContact O-N 3.3Å; M517-S520 VanDerWaalsContact O-N 3.15Å; M517-S520 PolarHBondContact O-OG 2.86Å; M517-L521 WeakPolarHBondContact O-CG 3.3Å; M517-L521 PolarHBondContact O-N 3.21Å; M517-L611 HydrophobicContact CE-CD1 4.24Å; M517-L611 HydrophobicContact CE-CD2 3.88Å; M517-F630 HydrophobicContact CE-CD1 4.14Å; M517-F630 HydrophobicContact CE-CD2 4.05Å; M517-F630 HydrophobicContact CE-CE1 4.21Å; M517-F630 HydrophobicContact CE-CE2 4.11Å; M517-F630 HydrophobicContact CE-CG 4.04Å; M517-F630 HydrophobicContact CE-CZ 4.19Å; M517-F630 WeakPolarHBondContact CE-O 3.04Å; M517-L633 HydrophobicContact CB-CD2 3.78Å; M517-L633 HydrophobicContact CB-CG 4.16Å; M517-L633 HydrophobicContact CE-CB 4.21Å; M517-L633 HydrophobicContact CE-CD2 4.21Å; M517-L633 HydrophobicContact CE-CG 4.34Å; M517-L633 HydrophobicContact CG-CD2 4.11Å; M517-L633 HydrophobicContact CG-CG 3.94Å; M517-R634 HydrophobicContact CE-CB 4.14Å; M517-R634 WeakPolarHBondContact SD-CA 3.24Å; M517-R634 HydrophobicContact SD-CB 3.67Å; M517-R634 HydrophobicContact SD-CG 4.22Å; M517-H637 HydrophobicContact CG-CB 4.02Å
518L98.7Very high97.8Very high0 Ų039.2 Ų39.20%020%0.2CC..Hα-helixtrans-59.2-44.1179.2-63.4-178.4000110.8V514 L521 G522 V523 A545 I549 L576V514-L518 HydrophobicContact CG1-CG 4.27Å; V514-L518 VanDerWaalsContact O-CG 3.32Å; V514-L518 WeakPolarHBondContact O-CG 3.44Å; V514-L518 PolarHBondContact O-N 3.38Å; L518-L521 PolarHBondContact O-N 2.87Å; L518-G522 PolarHBondContact O-N 3.45Å; L518-V523 HydrophobicContact CB-CB 4.19Å; L518-V523 HydrophobicContact CB-CG2 4.19Å; L518-V523 VanDerWaalsContact O-CB 3.27Å; L518-V523 WeakPolarHBondContact O-CB 3.47Å; L518-V523 VanDerWaalsContact O-CG2 3.29Å; L518-V523 WeakPolarHBondContact O-CG2 3.36Å; L518-V523 PolarHBondContact O-N 3.31Å; L518-A545 HydrophobicContact CD1-CB 3.84Å; L518-I549 HydrophobicContact CB-CD1 3.72Å; L518-I549 HydrophobicContact CD1-CD1 3.96Å; L518-L576 HydrophobicContact CD2-CD2 3.34Å
519R98.3Very high98Very high112 Ų11235.5 Ų35.542%0.42318%0.183SC..Hα-helixtrans-65-38.2175.4-75.8-172.6175.2178.83.7112.9A515 S516 M517 L521 G522 I549A515-R519 PolarHBondContact O-N 3.12Å; S516-R519 PolarHBondContact O-N 3.33Å; M517-R519 VanDerWaalsContact C-N 3.3Å; M517-R519 PolarHBondContact O-N 3.17Å; R519-L521 PolarHBondContact O-N 2.73Å; R519-G522 WeakPolarHBondContact O-CA 3.44Å; R519-G522 PolarHBondContact O-N 2.71Å; R519-I549 HydrophobicContact CG-CD1 4.37Å; R519-I549 HydrophobicContact CG-CG2 4.43Å
520S98.1Very high98.1Very high65 Ų6532.8 Ų32.846%0.45517%0.169SC..Hα-helixtrans-68.2-25.7178.269.90000112.8S516 M517 G522 H637S516-S520 PolarHBondContact O-N 2.86Å; M517-S520 WeakPolarHBondContact CA-OG 3.24Å; M517-S520 PolarHBondContact O-N 3.3Å; M517-S520 VanDerWaalsContact O-N 3.15Å; M517-S520 PolarHBondContact O-OG 2.86Å; S520-G522 PolarHBondContact O-N 2.94Å; S520-H637 PolarHBondContact OG-NE2 3.41Å; S520-H637 VanDerWaalsContact OG-NE2 3.13Å
521L98.2Very high98.1Very high20 Ų2031.2 Ų31.211%0.10516%0.161CC..THydrogen-bonded Turntrans-82.52.6169.5-60.9176.9000113.6M517 L518 R519 L576 L611 V628 L633M517-L521 WeakPolarHBondContact O-CG 3.3Å; M517-L521 PolarHBondContact O-N 3.21Å; L518-L521 PolarHBondContact O-N 2.87Å; R519-L521 PolarHBondContact O-N 2.73Å; L521-L576 HydrophobicContact CD1-CD1 3.83Å; L521-L576 HydrophobicContact CD1-CD2 4.26Å; L521-L611 HydrophobicContact CD1-CB 4.32Å; L521-L611 HydrophobicContact CD1-CD1 4.16Å; L521-L611 HydrophobicContact CD1-CD2 4.43Å; L521-V628 HydrophobicContact CD2-CG1 4.34Å; L521-V628 HydrophobicContact CD2-CG2 3.98Å; L521-L633 HydrophobicContact CD1-CD2 3.9Å; L521-L633 HydrophobicContact CD2-CD2 4.1Å; L521-L633 HydrophobicContact CG-CD2 3.95Å
522G97.2Very high98Very high25 Ų2530.6 Ų30.626%0.25816%0.158SC..THydrogen-bonded Turntrans88.514.3173.700000115.5L518 R519 S520 Q524L518-G522 PolarHBondContact O-N 3.45Å; R519-G522 WeakPolarHBondContact O-CA 3.44Å; R519-G522 PolarHBondContact O-N 2.71Å; S520-G522 PolarHBondContact O-N 2.94Å; G522-Q524 PolarHBondContact O-N 3.49Å
523V98.6Very high97.9Very high3 Ų330.7 Ų30.72%0.01816%0.158CC..  trans-69.7125.7173.5-1780000109.9L518 D527 V529 I549 A551 V575 L576L518-V523 HydrophobicContact CB-CB 4.19Å; L518-V523 HydrophobicContact CB-CG2 4.19Å; L518-V523 VanDerWaalsContact O-CB 3.27Å; L518-V523 WeakPolarHBondContact O-CB 3.47Å; L518-V523 VanDerWaalsContact O-CG2 3.29Å; L518-V523 WeakPolarHBondContact O-CG2 3.36Å; L518-V523 PolarHBondContact O-N 3.31Å; V523-D527 HydrophobicContact CG1-CB 4.24Å; V523-V529 HydrophobicContact CG1-CG2 3.73Å; V523-V529 HydrophobicContact CG2-CG2 4.08Å; V523-I549 HydrophobicContact CB-CD1 4.34Å; V523-I549 HydrophobicContact CG1-CD1 3.92Å; V523-A551 HydrophobicContact CG1-CB 3.65Å; V523-V575 HydrophobicContact CG2-CG2 4.01Å; V523-L576 HydrophobicContact CG2-CB 3.89Å; V523-L576 HydrophobicContact CG2-CD2 3.76Å; V523-L576 HydrophobicContact CG2-CG 4.47Å
524Q96.8Very high97.7Very high140 Ų14030.6 Ų30.665%0.65416%0.157SC*.  trans-113.6173.4176.1-57.7-173.6-12.600111.6G522 G526 D527G522-Q524 PolarHBondContact O-N 3.49Å; Q524-G526 PolarHBondContact O-N 3.26Å; Q524-D527 WeakPolarHBondContact CB-OD2 3.46Å; Q524-D527 PolarHBondContact N-OD2 3.26Å; Q524-D527 WeakPolarHBondContact O-CB 3.37Å; Q524-D527 PolarHBondContact O-N 3.16Å
525R96.5Very high97.4Very high132 Ų13231.4 Ų31.450%0.49816%0.161SC..THydrogen-bonded Turntrans-58.9133.9173171178164.6172.9-6109.9D527 G550 W646 L647 E651R525-D527 PolarHBondContact O-N 3.24Å; R525-G550 CarbonylContact C-O 3.57Å; R525-G550 VanDerWaalsContact CA-O 3.3Å; R525-G550 WeakPolarHBondContact CA-O 3.14Å; R525-W646 PolarHBondContact NH1-O 3.09Å; R525-W646 VanDerWaalsContact NH1-O 3.1Å; R525-L647 HydrophobicContact CG-CD2 3.99Å; R525-E651 IonicContact CZ-OE1 3.67Å; R525-E651 IonicContact CZ-OE2 2.84Å; R525-E651 IonicContact NE-OE2 3.34Å; R525-E651 PolarHBondContact NE-OE2 2.93Å; R525-E651 IonicContact NH2-OE1 2.65Å; R525-E651 PolarHBondContact NH2-OE1 3.21Å; R525-E651 IonicContact NH2-OE2 3.83Å; R525-E651 PolarHBondContact NH2-OE2 3.48Å
526G96.1Very high97.3Very high29 Ų2931.8 Ų31.830%0.29916%0.163SC..THydrogen-bonded Turntrans80.5-8.7-178.500000115.1Q524 R528 G550Q524-G526 PolarHBondContact O-N 3.26Å; G526-R528 PolarHBondContact O-NH1 3.43Å; G526-G550 PolarHBondContact N-O 2.93Å
527D98.3Very high97.3Very high33 Ų3330.5 Ų30.518%0.17615%0.154CC..  trans-69.8146.8171.9-77.1-27.1000111.1V523 Q524 R525 I552 V575V523-D527 HydrophobicContact CG1-CB 4.24Å; Q524-D527 WeakPolarHBondContact CB-OD2 3.46Å; Q524-D527 PolarHBondContact N-OD2 3.26Å; Q524-D527 WeakPolarHBondContact O-CB 3.37Å; Q524-D527 PolarHBondContact O-N 3.16Å; R525-D527 PolarHBondContact O-N 3.24Å; D527-I552 PolarHBondContact O-N 3.15Å; D527-V575 HydrophobicContact CB-CG1 4.01Å; D527-V575 HydrophobicContact CB-CG2 3.68Å
528R98.2Very high97.3Very high52 Ų5231.6 Ų31.620%0.19616%0.159CC..EExtended strand (participates in β ladder)trans-88.4131.5177.4-73.971.454.7-143.8-9.3111.1G526 I552 A572 K573 P574 V575 I655G526-R528 PolarHBondContact O-NH1 3.43Å; R528-I552 WeakPolarHBondContact CA-O 3.43Å; R528-I552 HydrophobicContact CG-CB 4.18Å; R528-I552 HydrophobicContact CG-CG2 4.22Å; R528-A572 HydrophobicContact CB-CB 4.49Å; R528-A572 WeakPolarHBondContact CB-O 3.23Å; R528-A572 HydrophobicContact CG-CB 4.47Å; R528-A572 VanDerWaalsContact CG-O 3.28Å; R528-A572 WeakPolarHBondContact CG-O 3.33Å; R528-A572 PolarHBondContact NE-O 3.1Å; R528-K573 PolarHBondContact NH2-O 2.95Å; R528-P574 HydrophobicContact CB-CB 4.34Å; R528-P574 CarbonylContact O-C 3.33Å; R528-P574 WeakPolarHBondContact O-CA 3.44Å; R528-P574 WeakPolarHBondContact O-CB 3.35Å; R528-V575 PolarHBondContact O-N 3.09Å; R528-I655 HydrophobicContact CG-CD1 3.93Å
529V98.8Very high97.2Very high0 Ų031.6 Ų31.60%016%0.159CC..EExtended strand (participates in β ladder)trans-115.3115.8171.1-179.40000108.2V523 V531 A551 I552 H553 S554 L576 V578V523-V529 HydrophobicContact CG1-CG2 3.73Å; V523-V529 HydrophobicContact CG2-CG2 4.08Å; V529-V531 HydrophobicContact CG1-CG2 4.4Å; V529-A551 HydrophobicContact CG2-CB 4.16Å; V529-I552 PolarHBondContact N-O 3.25Å; V529-H553 CarbonylContact O-C 3.57Å; V529-H553 VanDerWaalsContact O-CA 3.23Å; V529-H553 WeakPolarHBondContact O-CA 3.44Å; V529-S554 PolarHBondContact O-N 3.22Å; V529-L576 WeakPolarHBondContact CA-O 3.33Å; V529-L576 HydrophobicContact CG1-CB 4.48Å; V529-L576 HydrophobicContact CG1-CD2 4.27Å; V529-L576 HydrophobicContact CG1-CG 4.49Å; V529-L576 HydrophobicContact CG2-CB 4.46Å; V529-V578 HydrophobicContact CG1-CG2 3.99Å
530L98.5Very high97.1Very high0 Ų026.3 Ų26.30%014%0.139CC..EExtended strand (participates in β ladder)trans-90.5126.4178.3-171.7149.5000109.5S554 V556 R568 I569 P574 L576 I577 V578L530-S554 CarbonylContact C-O 3.56Å; L530-S554 WeakPolarHBondContact CA-O 3.48Å; L530-V556 HydrophobicContact CD1-CG2 3.98Å; L530-V556 HydrophobicContact CD2-CG2 3.8Å; L530-V556 HydrophobicContact CG-CG2 3.78Å; L530-R568 HydrophobicContact CD1-CB 4.32Å; L530-I569 HydrophobicContact CD1-CG1 3.9Å; L530-P574 HydrophobicContact CB-CB 3.76Å; L530-P574 HydrophobicContact CB-CG 3.81Å; L530-P574 HydrophobicContact CD1-CG 4.29Å; L530-L576 PolarHBondContact N-O 2.79Å; L530-I577 HydrophobicContact CB-CG1 4.21Å; L530-I577 HydrophobicContact CD2-CG2 3.84Å; L530-I577 CarbonylContact O-C 3.53Å; L530-I577 VanDerWaalsContact O-CA 3.28Å; L530-I577 WeakPolarHBondContact O-CA 3.49Å; L530-V578 PolarHBondContact O-N 3.44Å
531V98.2Very high97.2Very high0 Ų023.4 Ų23.40%012%0.119CC..EExtended strand (participates in β ladder)trans-111.1109.3-179-177.10000108.4V529 M533 T542 L543 S554 V555 V556V529-V531 HydrophobicContact CG1-CG2 4.4Å; V531-M533 HydrophobicContact CG1-CB 4.1Å; V531-M533 HydrophobicContact CG1-CG 3.61Å; V531-T542 HydrophobicContact CG2-CG2 3.83Å; V531-L543 HydrophobicContact CB-CD2 4.33Å; V531-L543 HydrophobicContact CG2-CD2 3.94Å; V531-S554 PolarHBondContact N-O 3.4Å; V531-V555 HydrophobicContact CB-CG2 4.42Å; V531-V555 WeakPolarHBondContact O-CA 3.46Å; V531-V556 PolarHBondContact O-N 3.3Å
532Y96.6Very high97.2Very high0 Ų022.5 Ų22.50%011%0.114CC..  trans-121.384.1176.8178.9-122.8000108.4V556 F557 G558 F560 V565 V578 S579 Y592 L595 L596Y532-V556 HydrophobicContact CD2-CB 4.07Å; Y532-V556 HydrophobicContact CD2-CG1 4Å; Y532-F557 WeakPolarHBondContact CE2-O 3.46Å; Y532-G558 PolarHBondContact OH-O 3.26Å; Y532-F560 PolarHBondContact OH-O 3.3Å; Y532-F560 VanDerWaalsContact OH-O 3.06Å; Y532-V565 HydrophobicContact CD2-CG2 4.26Å; Y532-V565 HydrophobicContact CE1-CG2 4.36Å; Y532-V565 HydrophobicContact CE2-CG2 3.96Å; Y532-V578 PolarHBondContact N-O 2.93Å; Y532-S579 WeakPolarHBondContact O-CA 3.45Å; Y532-S579 WeakPolarHBondContact O-CB 3.33Å; Y532-S579 PolarHBondContact O-OG 3.02Å; Y532-S579 VanDerWaalsContact O-OG 3.09Å; Y532-Y592 AromaticContact CD1-CD1 3.85Å; Y532-Y592 HydrophobicContact CD1-CD1 3.85Å; Y532-Y592 HydrophobicContact CD1-CE1 4.43Å; Y532-Y592 HydrophobicContact CD2-CD1 4.45Å; Y532-Y592 HydrophobicContact CD2-CE1 4.24Å; Y532-Y592 AromaticContact CE1-CD1 3.65Å; Y532-Y592 HydrophobicContact CE1-CD1 3.65Å; Y532-Y592 HydrophobicContact CE1-CE1 4.23Å; Y532-Y592 HydrophobicContact CE1-CG 4.25Å; Y532-Y592 HydrophobicContact CE2-CD1 4.29Å; Y532-Y592 HydrophobicContact CE2-CE1 4.03Å; Y532-Y592 HydrophobicContact CG-CD1 4.25Å; Y532-Y592 HydrophobicContact CG-CE1 4.44Å; Y532-Y592 AromaticContact CZ-CD1 3.88Å; Y532-Y592 WeakPolarHBondContact O-CD1 3.24Å; Y532-L595 HydrophobicContact CE1-CB 4.34Å; Y532-L596 HydrophobicContact CD1-CB 4.36Å
533M95.3Very high97.2Very high2 Ų221.3 Ų21.31%0.0110%0.101CC..  trans-129155.4-165.9-73-69.4-71.300111.9V531 I536 E538 A539 V578 S579 A580 Y592 V613V531-M533 HydrophobicContact CG1-CB 4.1Å; V531-M533 HydrophobicContact CG1-CG 3.61Å; M533-I536 HydrophobicContact CE-CD1 3.59Å; M533-I536 HydrophobicContact CE-CG1 3.91Å; M533-E538 HydrophobicContact CE-CB 4.07Å; M533-A539 HydrophobicContact CB-CB 3.77Å; M533-A539 HydrophobicContact CG-CB 4.23Å; M533-V578 HydrophobicContact CG-CG1 4.47Å; M533-V578 HydrophobicContact SD-CG1 4.17Å; M533-S579 WeakPolarHBondContact SD-CA 3.41Å; M533-A580 HydrophobicContact CE-CB 4.25Å; M533-A580 HydrophobicContact SD-CB 4.17Å; M533-Y592 PolarHBondContact O-OH 3.37Å; M533-V613 HydrophobicContact CE-CB 4.14Å; M533-V613 HydrophobicContact CE-CG2 3.58Å
534P94.2Very high97.2Very high2 Ų222.5 Ų22.51%0.01311%0.108CC..  trans-69172.2161.130.9-34.5000111.6I536 A580P534-I536 HydrophobicContact CB-CG2 4.41Å; P534-I536 HydrophobicContact CG-CD1 4.03Å; P534-I536 HydrophobicContact CG-CG1 4.17Å; P534-I536 HydrophobicContact CG-CG2 4.16Å; P534-I536 PolarHBondContact O-N 3.49Å; P534-A580 HydrophobicContact CG-CB 4.01Å
535M94Very high97.3Very high17 Ų1715.9 Ų15.98%0.0848%0.077CC..SBendtrans-76.462.8-176.9-69.4-63.8-71.500112.6S699 D700 I701 I710 V723 Y724 E725M535-S699 WeakPolarHBondContact CE-O 3.37Å; M535-D700 HydrophobicContact SD-CB 4.41Å; M535-I701 HydrophobicContact CE-CG2 4.04Å; M535-I701 HydrophobicContact SD-CB 4.26Å; M535-I701 HydrophobicContact SD-CG1 3.88Å; M535-I701 HydrophobicContact SD-CG2 3.91Å; M535-I701 PolarHBondContact SD-N 2.9Å; M535-I710 HydrophobicContact CE-CD1 3.76Å; M535-V723 HydrophobicContact CB-CG2 4.08Å; M535-V723 HydrophobicContact CE-CG2 3.75Å; M535-V723 WeakPolarHBondContact O-CG2 3.01Å; M535-Y724 WeakPolarHBondContact CB-O 3.23Å; M535-E725 HydrophobicContact CB-CB 4.01Å
536I96.3Very high97.4Very high8 Ų89.6 Ų9.64%0.0415%0.053CC..SBendtrans-118.6167.2-176.965.8175.9000112.5M533 P534 E538 A539 H540 V613M533-I536 HydrophobicContact CE-CD1 3.59Å; M533-I536 HydrophobicContact CE-CG1 3.91Å; P534-I536 HydrophobicContact CB-CG2 4.41Å; P534-I536 HydrophobicContact CG-CD1 4.03Å; P534-I536 HydrophobicContact CG-CG1 4.17Å; P534-I536 HydrophobicContact CG-CG2 4.16Å; P534-I536 PolarHBondContact O-N 3.49Å; I536-E538 VanDerWaalsContact C-N 3.29Å; I536-E538 HydrophobicContact CD1-CB 4.21Å; I536-E538 WeakPolarHBondContact CD1-OE2 3.32Å; I536-E538 HydrophobicContact CG1-CB 4.28Å; I536-E538 PolarHBondContact O-N 2.97Å; I536-A539 WeakPolarHBondContact O-CB 3.38Å; I536-A539 PolarHBondContact O-N 3.12Å; I536-H540 PolarHBondContact O-ND1 3.03Å; I536-V613 HydrophobicContact CD1-CG1 4.1Å
537A97.5Very high97.5Very high0 Ų010.4 Ų10.40%06%0.057CC..Hα-helixtrans-57.8-39.7-177.800000112.8L489 A491 F502 A539 H540 I541L489-A537 HydrophobicContact CD2-CB 4.04Å; A491-A537 HydrophobicContact CB-CB 3.89Å; F502-A537 HydrophobicContact CE2-CB 3.73Å; F502-A537 HydrophobicContact CZ-CB 4.09Å; A537-A539 PolarHBondContact O-N 2.74Å; A537-H540 WeakPolarHBondContact O-CB 3.01Å; A537-H540 PolarHBondContact O-N 2.67Å; A537-I541 HydrophobicContact CB-CD1 4.35Å; A537-I541 WeakPolarHBondContact O-CG1 3.46Å; A537-I541 PolarHBondContact O-N 3.13Å
538E98.1Very high97.4Very high24 Ų2410.9 Ų10.911%0.1126%0.056CC..Hα-helixtrans-60.1-32.2-178.7-71.577.1-173.200112.6R500 M533 I536 T542 V613 F630R500-E538 IonicContact CZ-OE1 3.07Å; R500-E538 VanDerWaalsContact CZ-OE1 3.32Å; R500-E538 IonicContact CZ-OE2 2.77Å; R500-E538 IonicContact NH1-OE1 3.02Å; R500-E538 PolarHBondContact NH1-OE1 3.4Å; R500-E538 IonicContact NH1-OE2 3.27Å; R500-E538 IonicContact NH2-OE1 2.7Å; R500-E538 PolarHBondContact NH2-OE1 2.86Å; R500-E538 VanDerWaalsContact NH2-OE1 3.1Å; R500-E538 IonicContact NH2-OE2 3.22Å; R500-E538 PolarHBondContact NH2-OE2 2.78Å; M533-E538 HydrophobicContact CE-CB 4.07Å; I536-E538 VanDerWaalsContact C-N 3.29Å; I536-E538 HydrophobicContact CD1-CB 4.21Å; I536-E538 WeakPolarHBondContact CD1-OE2 3.32Å; I536-E538 HydrophobicContact CG1-CB 4.28Å; I536-E538 PolarHBondContact O-N 2.97Å; E538-T542 VanDerWaalsContact O-CB 3.25Å; E538-T542 WeakPolarHBondContact O-CB 3.47Å; E538-T542 PolarHBondContact O-N 3.19Å; E538-T542 PolarHBondContact O-OG1 3.26Å; E538-V613 HydrophobicContact CB-CG2 3.89Å; E538-V613 HydrophobicContact CG-CG1 4.36Å; E538-V613 HydrophobicContact CG-CG2 3.85Å; E538-F630 HydrophobicContact CB-CE2 4.42Å; E538-F630 HydrophobicContact CB-CZ 4.21Å; E538-F630 HydrophobicContact CG-CD1 4.33Å; E538-F630 HydrophobicContact CG-CE1 3.87Å; E538-F630 HydrophobicContact CG-CE2 4.48Å; E538-F630 HydrophobicContact CG-CZ 3.95Å
539A97.4Very high97.4Very high0 Ų08.6 Ų8.60%05%0.048CC..Hα-helixtrans-64.2-43.4174.700000111M533 I536 A537 T542 L543 I701M533-A539 HydrophobicContact CB-CB 3.77Å; M533-A539 HydrophobicContact CG-CB 4.23Å; I536-A539 WeakPolarHBondContact O-CB 3.38Å; I536-A539 PolarHBondContact O-N 3.12Å; A537-A539 PolarHBondContact O-N 2.74Å; A539-T542 PolarHBondContact O-N 3.27Å; A539-L543 VanDerWaalsContact O-CG 3.32Å; A539-L543 WeakPolarHBondContact O-CG 3.46Å; A539-L543 PolarHBondContact O-N 3Å; A539-I701 HydrophobicContact CB-CD1 3.49Å; A539-I701 VanDerWaalsContact CB-CD1 3.49Å
540H97.4Very high97.3Very high1 Ų18.8 Ų8.81%0.0055%0.05CC..Hα-helixtrans-65.6-48.6178.7-70.257.4000111.2L489 I536 A537 T542 L543 L544 I710 V723L489-H540 HydrophobicContact CD1-CB 4.36Å; L489-H540 HydrophobicContact CD2-CB 3.95Å; I536-H540 PolarHBondContact O-ND1 3.03Å; A537-H540 WeakPolarHBondContact O-CB 3.01Å; A537-H540 PolarHBondContact O-N 2.67Å; H540-T542 PolarHBondContact O-N 3.34Å; H540-L543 PolarHBondContact O-N 3.48Å; H540-L544 WeakPolarHBondContact O-CG 3.49Å; H540-L544 PolarHBondContact O-N 3.1Å; H540-I710 WeakPolarHBondContact NE2-CG2 3.48Å; H540-V723 WeakPolarHBondContact CE1-CB 3.1Å; H540-V723 WeakPolarHBondContact CE1-CG2 3.49Å
541I98.5Very high97.3Very high4 Ų49 Ų92%0.0215%0.051CC..Hα-helixtrans-60.6-38.6-179.7-62.2161.4000110.1F502 L507 E510 V511 V514 A537 L544 A545F502-I541 HydrophobicContact CZ-CD1 4.48Å; L507-I541 HydrophobicContact CD1-CG1 3.86Å; E510-I541 HydrophobicContact CB-CD1 3.97Å; E510-I541 HydrophobicContact CB-CG1 4.25Å; E510-I541 HydrophobicContact CB-CG2 3.92Å; E510-I541 HydrophobicContact CG-CD1 4.2Å; V511-I541 HydrophobicContact CG2-CG2 4.18Å; V514-I541 HydrophobicContact CB-CG2 3.93Å; V514-I541 HydrophobicContact CG2-CG2 3.49Å; V514-I541 VanDerWaalsContact CG2-CG2 3.49Å; A537-I541 HydrophobicContact CB-CD1 4.35Å; A537-I541 WeakPolarHBondContact O-CG1 3.46Å; A537-I541 PolarHBondContact O-N 3.13Å; I541-L544 PolarHBondContact O-N 2.91Å; I541-A545 VanDerWaalsContact O-CB 3.22Å; I541-A545 WeakPolarHBondContact O-CB 3.21Å; I541-A545 PolarHBondContact O-N 3.37Å
542T98.6Very high97.3Very high0 Ų09.5 Ų9.50%05%0.054CC..Hα-helixtrans-63.8-46.1177.7-61.40000112V531 E538 A539 H540 A545 C546 V578V531-T542 HydrophobicContact CG2-CG2 3.83Å; E538-T542 VanDerWaalsContact O-CB 3.25Å; E538-T542 WeakPolarHBondContact O-CB 3.47Å; E538-T542 PolarHBondContact O-N 3.19Å; E538-T542 PolarHBondContact O-OG1 3.26Å; A539-T542 PolarHBondContact O-N 3.27Å; H540-T542 PolarHBondContact O-N 3.34Å; T542-A545 PolarHBondContact O-N 2.61Å; T542-C546 PolarHBondContact O-N 3.43Å; T542-C546 PolarHBondContact O-SG 2.9Å; T542-V578 HydrophobicContact CG2-CB 4.14Å; T542-V578 HydrophobicContact CG2-CG1 4.21Å; T542-V578 HydrophobicContact CG2-CG2 3.77Å
543L98.3Very high97.4Very high0 Ų09.6 Ų9.60%05%0.054CC..Hα-helixtrans-63.2-43.8178.6-62.1171.5000111.3V531 A539 H540 A545 C546 A547 H553 V555 V711 Y712V531-L543 HydrophobicContact CB-CD2 4.33Å; V531-L543 HydrophobicContact CG2-CD2 3.94Å; A539-L543 VanDerWaalsContact O-CG 3.32Å; A539-L543 WeakPolarHBondContact O-CG 3.46Å; A539-L543 PolarHBondContact O-N 3Å; H540-L543 PolarHBondContact O-N 3.48Å; L543-A545 VanDerWaalsContact C-N 3.34Å; L543-A545 PolarHBondContact O-N 3.25Å; L543-C546 PolarHBondContact O-N 2.84Å; L543-A547 PolarHBondContact O-N 3.48Å; L543-H553 HydrophobicContact CD2-CB 4.03Å; L543-H553 WeakPolarHBondContact CD2-CD2 3.36Å; L543-V555 HydrophobicContact CD2-CB 4.27Å; L543-V711 HydrophobicContact CB-CG1 4.35Å; L543-V711 HydrophobicContact CD1-CG1 4.25Å; L543-V711 HydrophobicContact CD1-CG2 3.8Å; L543-Y712 PolarHBondContact O-OH 2.98Å
544L98.3Very high97.5Very high29 Ų299.5 Ų9.515%0.1525%0.054CC..Hα-helixtrans-64.9-37.2176-65.8172.1000112.2L507 V511 H540 I541 A547 R548 V711 Y712 L715L507-L544 HydrophobicContact CD1-CD1 4.14Å; L507-L544 HydrophobicContact CD2-CD1 4.07Å; L507-L544 HydrophobicContact CG-CD1 4.27Å; V511-L544 HydrophobicContact CG1-CB 4.24Å; V511-L544 HydrophobicContact CG2-CB 3.57Å; V511-L544 HydrophobicContact CG2-CD1 3.97Å; V511-L544 HydrophobicContact CG2-CG 4.45Å; H540-L544 WeakPolarHBondContact O-CG 3.49Å; H540-L544 PolarHBondContact O-N 3.1Å; I541-L544 PolarHBondContact O-N 2.91Å; L544-A547 PolarHBondContact O-N 3.17Å; L544-R548 WeakPolarHBondContact O-CB 3.35Å; L544-R548 PolarHBondContact O-N 3.05Å; L544-V711 HydrophobicContact CD2-CG1 4.35Å; L544-V711 HydrophobicContact CG-CG1 4.38Å; L544-Y712 HydrophobicContact CD2-CD1 4.49Å; L544-Y712 HydrophobicContact CD2-CE1 4.19Å; L544-L715 HydrophobicContact CD1-CD1 3.74Å; L544-L715 HydrophobicContact CD2-CD1 4.12Å
545A98.6Very high97.4Very high0 Ų09.6 Ų9.60%05%0.054CC..Hα-helixtrans-66.8-39.3175.100000112.3V511 V514 A515 L518 I541 T542 L543 R548 I549V511-A545 HydrophobicContact CG1-CB 4.47Å; V514-A545 HydrophobicContact CB-CB 3.9Å; V514-A545 HydrophobicContact CG1-CB 3.64Å; A515-A545 HydrophobicContact CB-CB 4.18Å; L518-A545 HydrophobicContact CD1-CB 3.84Å; I541-A545 VanDerWaalsContact O-CB 3.22Å; I541-A545 WeakPolarHBondContact O-CB 3.21Å; I541-A545 PolarHBondContact O-N 3.37Å; T542-A545 PolarHBondContact O-N 2.61Å; L543-A545 VanDerWaalsContact C-N 3.34Å; L543-A545 PolarHBondContact O-N 3.25Å; A545-R548 PolarHBondContact O-N 3.16Å; A545-I549 WeakPolarHBondContact O-CG1 3.39Å; A545-I549 PolarHBondContact O-N 3.44Å
546C98.6Very high97.1Very high0 Ų09 Ų90%05%0.051CC..Hα-helixtrans-59.8-49.9173.2-67.10000110.8T542 L543 R548 I549 G550 A551 H553T542-C546 PolarHBondContact O-N 3.43Å; T542-C546 PolarHBondContact O-SG 2.9Å; L543-C546 PolarHBondContact O-N 2.84Å; C546-R548 VanDerWaalsContact C-N 3.3Å; C546-R548 PolarHBondContact O-N 3.03Å; C546-I549 WeakPolarHBondContact O-CG1 3.38Å; C546-I549 PolarHBondContact O-N 3.47Å; C546-G550 PolarHBondContact O-N 3.4Å; C546-A551 HydrophobicContact CB-CB 4.17Å; C546-A551 PolarHBondContact O-N 2.94Å; C546-H553 HydrophobicContact CB-CB 3.89Å
547A97.2Very high96.5Very high46 Ų468.7 Ų8.738%0.385%0.05SC..Hα-helixtrans-57.7-41.3176.500000112.2L543 L544 I549 G550 Y712L543-A547 PolarHBondContact O-N 3.48Å; L544-A547 PolarHBondContact O-N 3.17Å; A547-I549 VanDerWaalsContact C-N 3.32Å; A547-I549 PolarHBondContact O-N 2.85Å; A547-G550 PolarHBondContact O-N 2.8Å; A547-Y712 HydrophobicContact CB-CE1 4.29Å
548R96.9Very high95.4Very high44 Ų448.8 Ų8.817%0.1665%0.05CC..Hα-helixtrans-60.5-37.2178.9-176.6176-170.693-0.7113.5H508 V511 N512 L544 A545 C546 V642 V644 A645H508-R548 PolarHBondContact NE2-NH1 3.11Å; V511-R548 HydrophobicContact CG1-CB 4.32Å; N512-R548 VanDerWaalsContact OD1-CZ 3.3Å; N512-R548 PolarHBondContact OD1-NE 3.2Å; N512-R548 PolarHBondContact OD1-NH2 2.94Å; L544-R548 WeakPolarHBondContact O-CB 3.35Å; L544-R548 PolarHBondContact O-N 3.05Å; A545-R548 PolarHBondContact O-N 3.16Å; C546-R548 VanDerWaalsContact C-N 3.3Å; C546-R548 PolarHBondContact O-N 3.03Å; R548-V642 PolarHBondContact NE-O 3.48Å; R548-V642 PolarHBondContact NH2-O 2.8Å; R548-V644 HydrophobicContact CG-CG2 4.34Å; R548-A645 PolarHBondContact O-N 2.9Å
549I97.9Very high94.2Very high4 Ų48 Ų82%0.0215%0.048CC..Hα-helixtrans-97.8-1-176.468.7178.8000113.5A515 L518 R519 V523 A545 C546 A547 A551 V642 A645A515-I549 HydrophobicContact CB-CG2 3.67Å; L518-I549 HydrophobicContact CB-CD1 3.72Å; L518-I549 HydrophobicContact CD1-CD1 3.96Å; R519-I549 HydrophobicContact CG-CD1 4.37Å; R519-I549 HydrophobicContact CG-CG2 4.43Å; V523-I549 HydrophobicContact CB-CD1 4.34Å; V523-I549 HydrophobicContact CG1-CD1 3.92Å; A545-I549 WeakPolarHBondContact O-CG1 3.39Å; A545-I549 PolarHBondContact O-N 3.44Å; C546-I549 WeakPolarHBondContact O-CG1 3.38Å; C546-I549 PolarHBondContact O-N 3.47Å; A547-I549 VanDerWaalsContact C-N 3.32Å; A547-I549 PolarHBondContact O-N 2.85Å; I549-A551 HydrophobicContact CD1-CB 4.19Å; I549-A551 HydrophobicContact CG1-CB 3.95Å; I549-V642 HydrophobicContact CG2-CG1 3.94Å; I549-A645 VanDerWaalsContact C-CB 3.47Å; I549-A645 WeakPolarHBondContact O-CB 3.38Å
550G97.3Very high93.1Very high4 Ų48.4 Ų8.44%0.0415%0.05CC..THydrogen-bonded Turntrans74.625.1-178.100000114.1R525 G526 C546 A547R525-G550 CarbonylContact C-O 3.57Å; R525-G550 VanDerWaalsContact CA-O 3.3Å; R525-G550 WeakPolarHBondContact CA-O 3.14Å; G526-G550 PolarHBondContact N-O 2.93Å; C546-G550 PolarHBondContact O-N 3.4Å; A547-G550 PolarHBondContact O-N 2.8Å
551A98.3Very high92.1Very high3 Ų310.1 Ų10.13%0.0257%0.065CC..  trans-82.3144.4171.200000110.1V523 V529 C546 I549 H553V523-A551 HydrophobicContact CG1-CB 3.65Å; V529-A551 HydrophobicContact CG2-CB 4.16Å; C546-A551 HydrophobicContact CB-CB 4.17Å; C546-A551 PolarHBondContact O-N 2.94Å; I549-A551 HydrophobicContact CD1-CB 4.19Å; I549-A551 HydrophobicContact CG1-CB 3.95Å; A551-H553 PolarHBondContact O-N 3.48Å
552I98.3Very high91.4Very high11 Ų1110.4 Ų10.46%0.0567%0.067CC..EExtended strand (participates in β ladder)trans-88100.1179.6-59.4171.5000108.2D527 R528 V529 T652 I655 W864D527-I552 PolarHBondContact O-N 3.15Å; R528-I552 WeakPolarHBondContact CA-O 3.43Å; R528-I552 HydrophobicContact CG-CB 4.18Å; R528-I552 HydrophobicContact CG-CG2 4.22Å; V529-I552 PolarHBondContact N-O 3.25Å; I552-T652 HydrophobicContact CD1-CG2 3.79Å; I552-T652 HydrophobicContact CG1-CG2 4.05Å; I552-T652 HydrophobicContact CG2-CG2 3.8Å; I552-I655 HydrophobicContact CG2-CD1 3.81Å; I552-I655 HydrophobicContact CG2-CG1 3.78Å; I552-W864 HydrophobicContact CD1-CH2 4.06Å; I552-W864 HydrophobicContact CD1-CZ3 4.34Å
553H98.2Very high90.4Very high3 Ų316.4 Ų16.41%0.01410%0.095CC..EExtended strand (participates in β ladder)trans-80.5148.8176.959.8-86.2000112V529 L543 C546 A551 C654 I655 H707 Y712V529-H553 CarbonylContact O-C 3.57Å; V529-H553 VanDerWaalsContact O-CA 3.23Å; V529-H553 WeakPolarHBondContact O-CA 3.44Å; L543-H553 HydrophobicContact CD2-CB 4.03Å; L543-H553 WeakPolarHBondContact CD2-CD2 3.36Å; C546-H553 HydrophobicContact CB-CB 3.89Å; A551-H553 PolarHBondContact O-N 3.48Å; H553-C654 WeakPolarHBondContact NE2-CB 3.49Å; H553-C654 VanDerWaalsContact O-CA 3.29Å; H553-C654 WeakPolarHBondContact O-CA 3.27Å; H553-C654 WeakPolarHBondContact O-CB 3.36Å; H553-I655 PolarHBondContact O-N 2.98Å; H553-I655 VanDerWaalsContact O-N 3.07Å; H553-H707 AromaticContact CD2-NE2 3.75Å; H553-H707 AromaticContact NE2-CD2 3.87Å; H553-H707 AromaticContact NE2-CE1 3.93Å; H553-H707 AromaticContact NE2-NE2 2.94Å; H553-H707 PolarHBondContact NE2-NE2 3.39Å; H553-Y712 AromaticContact CE1-CZ 3.87Å; H553-Y712 PolarHBondContact CE1-OH 3.1Å; H553-Y712 PolarHBondContact NE2-OH 3.42Å
554S96.6Very high89.6Confident0 Ų016.8 Ų16.80%010%0.097CC..EExtended strand (participates in β ladder)trans-129.5112168.3-170.80000109.2V529 L530 V531 I655 Y657V529-S554 PolarHBondContact O-N 3.22Å; L530-S554 CarbonylContact C-O 3.56Å; L530-S554 WeakPolarHBondContact CA-O 3.48Å; V531-S554 PolarHBondContact N-O 3.4Å; S554-I655 WeakPolarHBondContact CA-O 3.36Å; S554-I655 WeakPolarHBondContact CB-O 3.5Å; S554-I655 PolarHBondContact OG-O 3.44Å; S554-Y657 WeakPolarHBondContact OG-CD2 3.47Å; S554-Y657 VanDerWaalsContact OG-CE2 3.25Å; S554-Y657 WeakPolarHBondContact OG-CE2 3.37Å
555V93.4Very high89Confident4 Ų415.4 Ų15.42%0.0249%0.09CC..EExtended strand (participates in β ladder)trans-89.5135.917963.70000109.8V531 L543 L656 I701V531-V555 HydrophobicContact CB-CG2 4.42Å; V531-V555 WeakPolarHBondContact O-CA 3.46Å; L543-V555 HydrophobicContact CD2-CB 4.27Å; V555-L656 HydrophobicContact CG1-CD2 3.51Å; V555-I701 WeakPolarHBondContact CG1-O 3.18Å; V555-I701 HydrophobicContact CG2-CB 4.37Å; V555-I701 HydrophobicContact CG2-CD1 3.94Å; V555-I701 HydrophobicContact CG2-CG1 3.83Å
556V88Confident88.6Confident3 Ų315.6 Ų15.62%0.0189%0.092CC..  trans-115.9132.1-176.3-177.20000108.7L530 V531 Y532 G558 F560 V565L530-V556 HydrophobicContact CD1-CG2 3.98Å; L530-V556 HydrophobicContact CD2-CG2 3.8Å; L530-V556 HydrophobicContact CG-CG2 3.78Å; V531-V556 PolarHBondContact O-N 3.3Å; Y532-V556 HydrophobicContact CD2-CB 4.07Å; Y532-V556 HydrophobicContact CD2-CG1 4Å; V556-G558 PolarHBondContact O-N 3.33Å; V556-F560 HydrophobicContact CG1-CD2 3.55Å; V556-F560 HydrophobicContact CG1-CE2 4.13Å; V556-V565 HydrophobicContact CG1-CG2 4.25Å
557F82.3Confident88Confident3 Ų317.1 Ų17.11%0.01310%0.104CC..  trans-53.3124.4176.9178.3-116.4000110.9Y532 G559 F560 D700 W703 R998Y532-F557 WeakPolarHBondContact CE2-O 3.46Å; F557-G559 VanDerWaalsContact CE1-CA 3.4Å; F557-G559 PolarHBondContact O-N 2.97Å; F557-F560 HydrophobicContact CB-CD1 4.18Å; F557-F560 HydrophobicContact CB-CD2 4.05Å; F557-F560 HydrophobicContact CB-CE1 3.88Å; F557-F560 HydrophobicContact CB-CE2 3.74Å; F557-F560 HydrophobicContact CB-CG 4.24Å; F557-F560 HydrophobicContact CB-CZ 3.66Å; F557-F560 AromaticContact CD1-CD1 3.64Å; F557-F560 HydrophobicContact CD1-CD1 3.64Å; F557-F560 AromaticContact CD1-CE1 3.64Å; F557-F560 HydrophobicContact CD1-CE1 3.64Å; F557-F560 HydrophobicContact CD1-CG 4.28Å; F557-F560 HydrophobicContact CD1-CZ 4.31Å; F557-F560 HydrophobicContact CG-CD1 4.39Å; F557-F560 HydrophobicContact CG-CE1 4.17Å; F557-F560 HydrophobicContact CG-CZ 4.4Å; F557-F560 PolarHBondContact O-N 3.34Å; F557-F560 VanDerWaalsContact O-N 3.15Å; F557-D700 HydrophobicContact CD2-CB 3.79Å; F557-D700 VanDerWaalsContact CD2-OD1 3.31Å; F557-D700 WeakPolarHBondContact CD2-OD1 3.48Å; F557-D700 HydrophobicContact CE2-CB 3.62Å; F557-D700 VanDerWaalsContact CE2-CG 3.44Å; F557-D700 WeakPolarHBondContact CE2-OD2 3.48Å; F557-W703 HydrophobicContact CB-CZ2 4.24Å; F557-W703 HydrophobicContact CD1-CZ2 4.12Å; F557-W703 AromaticContact CD2-CD1 3.96Å; F557-W703 AromaticContact CD2-CE2 3.84Å; F557-W703 HydrophobicContact CD2-CZ2 4.22Å; F557-W703 AromaticContact CD2-NE1 3.24Å; F557-W703 AromaticContact CE2-NE1 3.53Å; F557-W703 AromaticContact CG-CE2 3.97Å; F557-W703 AromaticContact CG-CZ2 3.91Å; F557-W703 HydrophobicContact CG-CZ2 3.91Å; F557-W703 AromaticContact CG-NE1 3.84Å; F557-R998 HydrophobicContact CE1-CB 3.74Å; F557-R998 HydrophobicContact CE1-CG 3.93Å; F557-R998 HydrophobicContact CE2-CB 4.41Å; F557-R998 HydrophobicContact CZ-CB 3.35Å; F557-R998 HydrophobicContact CZ-CG 3.92Å
558G75.6Confident87.7Confident1 Ų115.6 Ų15.61%0.019%0.089CC..THydrogen-bonded Turntrans-61.7-16.4-173.500000115.1Y532 V556 Y592Y532-G558 PolarHBondContact OH-O 3.26Å; V556-G558 PolarHBondContact O-N 3.33Å; G558-Y592 WeakPolarHBondContact CA-OH 3.36Å; G558-Y592 PolarHBondContact O-OH 3.45Å
559G72.9Confident87.6Confident7 Ų713.5 Ų13.57%0.0728%0.081CC..THydrogen-bonded Turntrans-91.9-0.1178.800000116.7F557 R998F557-G559 VanDerWaalsContact CE1-CA 3.4Å; F557-G559 PolarHBondContact O-N 2.97Å; G559-R998 VanDerWaalsContact CA-CZ 3.44Å; G559-R998 PolarHBondContact O-NH2 3.32Å
560F75.1Confident87.4Confident9 Ų915.4 Ų15.44%0.0399%0.091CC..  trans-69.6144.4179.8-73.5-17.4000113Y532 V556 F557 V565 W703 T1021Y532-F560 PolarHBondContact OH-O 3.3Å; Y532-F560 VanDerWaalsContact OH-O 3.06Å; V556-F560 HydrophobicContact CG1-CD2 3.55Å; V556-F560 HydrophobicContact CG1-CE2 4.13Å; F557-F560 HydrophobicContact CB-CD1 4.18Å; F557-F560 HydrophobicContact CB-CD2 4.05Å; F557-F560 HydrophobicContact CB-CE1 3.88Å; F557-F560 HydrophobicContact CB-CE2 3.74Å; F557-F560 HydrophobicContact CB-CG 4.24Å; F557-F560 HydrophobicContact CB-CZ 3.66Å; F557-F560 AromaticContact CD1-CD1 3.64Å; F557-F560 HydrophobicContact CD1-CD1 3.64Å; F557-F560 AromaticContact CD1-CE1 3.64Å; F557-F560 HydrophobicContact CD1-CE1 3.64Å; F557-F560 HydrophobicContact CD1-CG 4.28Å; F557-F560 HydrophobicContact CD1-CZ 4.31Å; F557-F560 HydrophobicContact CG-CD1 4.39Å; F557-F560 HydrophobicContact CG-CE1 4.17Å; F557-F560 HydrophobicContact CG-CZ 4.4Å; F557-F560 PolarHBondContact O-N 3.34Å; F557-F560 VanDerWaalsContact O-N 3.15Å; F560-V565 HydrophobicContact CB-CG2 4.08Å; F560-W703 HydrophobicContact CE1-CH2 4.27Å; F560-W703 HydrophobicContact CE1-CZ2 4.44Å; F560-W703 HydrophobicContact CZ-CH2 4.04Å; F560-W703 HydrophobicContact CZ-CZ2 4.46Å; F560-T1021 HydrophobicContact CD1-CG2 3.9Å; F560-T1021 HydrophobicContact CE1-CG2 3.44Å; F560-T1021 VanDerWaalsContact CE1-CG2 3.44Å; F560-T1021 HydrophobicContact CZ-CG2 4.46Å
561A75.8Confident87.2Confident37 Ų3716 Ų1631%0.3069%0.093SC..  trans-70.6160.3168.400000111.5H563 S564 V565 T1020A561-H563 VanDerWaalsContact C-N 3.27Å; A561-H563 PolarHBondContact O-N 2.83Å; A561-H563 VanDerWaalsContact O-N 3.16Å; A561-S564 WeakPolarHBondContact O-CB 3.36Å; A561-S564 PolarHBondContact O-N 2.81Å; A561-V565 PolarHBondContact O-N 2.89Å; A561-V565 VanDerWaalsContact O-N 3.14Å; A561-T1020 HydrophobicContact CB-CG2 3.71Å
562S82.9Confident87.1Confident11 Ų1115.9 Ų15.98%0.0779%0.092CC..Hα-helixtrans-52.7-39.5-177.1-57.50000114.3S564 V565 A566 L595 D598 A599S562-S564 PolarHBondContact O-N 2.97Å; S562-V565 PolarHBondContact O-N 3.32Å; S562-A566 WeakPolarHBondContact O-CB 3.34Å; S562-A566 PolarHBondContact O-N 3.27Å; S562-L595 WeakPolarHBondContact CB-O 3.36Å; S562-L595 WeakPolarHBondContact OG-CA 3.21Å; S562-L595 PolarHBondContact OG-O 3.21Å; S562-D598 WeakPolarHBondContact OG-CB 3.17Å; S562-A599 WeakPolarHBondContact O-CB 3.16Å
563H79.1Confident87Confident126 Ų12620.8 Ų20.858%0.58311%0.113SC*.Hα-helixtrans-61.3-44177.8-17966.9000112.4A561 V565 A566 A567A561-H563 VanDerWaalsContact C-N 3.27Å; A561-H563 PolarHBondContact O-N 2.83Å; A561-H563 VanDerWaalsContact O-N 3.16Å; H563-V565 VanDerWaalsContact C-N 3.31Å; H563-V565 PolarHBondContact O-N 2.61Å; H563-A566 WeakPolarHBondContact O-CB 3.19Å; H563-A566 PolarHBondContact O-N 2.86Å; H563-A567 PolarHBondContact O-N 3.03Å; H563-A567 VanDerWaalsContact O-N 3.07Å
564S80.5Confident87Confident7 Ų720.6 Ų20.65%0.04911%0.113CC..Hα-helixtrans-66.7-34.1177.6-65.50000111.7A561 S562 R568 T1020A561-S564 WeakPolarHBondContact O-CB 3.36Å; A561-S564 PolarHBondContact O-N 2.81Å; S562-S564 PolarHBondContact O-N 2.97Å; S564-R568 WeakPolarHBondContact O-CD 3.45Å; S564-R568 PolarHBondContact O-NH1 3.47Å; S564-T1020 PolarHBondContact OG-OG1 3.5Å
565V85.6Confident87.1Confident0 Ų022.5 Ų22.50%012%0.124CC..Hα-helixtrans-68.7-44172.4-178.80000110.6Y532 V556 F560 A561 S562 H563 A567 R568 I569 L596 A599Y532-V565 HydrophobicContact CD2-CG2 4.26Å; Y532-V565 HydrophobicContact CE1-CG2 4.36Å; Y532-V565 HydrophobicContact CE2-CG2 3.96Å; V556-V565 HydrophobicContact CG1-CG2 4.25Å; F560-V565 HydrophobicContact CB-CG2 4.08Å; A561-V565 PolarHBondContact O-N 2.89Å; A561-V565 VanDerWaalsContact O-N 3.14Å; S562-V565 PolarHBondContact O-N 3.32Å; H563-V565 VanDerWaalsContact C-N 3.31Å; H563-V565 PolarHBondContact O-N 2.61Å; V565-A567 PolarHBondContact O-N 2.93Å; V565-R568 WeakPolarHBondContact O-CB 3.49Å; V565-R568 PolarHBondContact O-N 2.93Å; V565-I569 HydrophobicContact CG1-CD1 4.07Å; V565-I569 HydrophobicContact CG1-CG1 4.41Å; V565-I569 WeakPolarHBondContact O-CG1 3.44Å; V565-I569 PolarHBondContact O-N 3.16Å; V565-L596 HydrophobicContact CG1-CD1 4.43Å; V565-A599 HydrophobicContact CB-CB 3.74Å; V565-A599 HydrophobicContact CG1-CB 3.79Å
566A89.7Confident87.3Confident4 Ų422.4 Ų22.43%0.03312%0.123CC..Hα-helixtrans-57.4-45.7179.300000112.3S562 H563 R568 I569 D570 A599 Q602 A603S562-A566 WeakPolarHBondContact O-CB 3.34Å; S562-A566 PolarHBondContact O-N 3.27Å; H563-A566 WeakPolarHBondContact O-CB 3.19Å; H563-A566 PolarHBondContact O-N 2.86Å; A566-R568 PolarHBondContact O-N 3.31Å; A566-R568 VanDerWaalsContact O-N 3.15Å; A566-I569 WeakPolarHBondContact O-CB 3.11Å; A566-I569 PolarHBondContact O-N 3.06Å; A566-I569 VanDerWaalsContact O-N 3.08Å; A566-D570 PolarHBondContact O-N 3.12Å; A566-A599 HydrophobicContact CB-CB 4.39Å; A566-A599 WeakPolarHBondContact CB-O 3.36Å; A566-Q602 HydrophobicContact CB-CB 3.87Å; A566-A603 HydrophobicContact CB-CB 4.2Å
567A86.4Confident87.8Confident32 Ų3222.2 Ų22.226%0.26412%0.122SC..Hα-helixtrans-57.9-31177.100000113.4H563 V565 D571 P665H563-A567 PolarHBondContact O-N 3.03Å; H563-A567 VanDerWaalsContact O-N 3.07Å; V565-A567 PolarHBondContact O-N 2.93Å; A567-D571 PolarHBondContact O-N 2.91Å; A567-P665 HydrophobicContact CB-CG 4.27Å
568R90.1Very high88.6Confident14 Ų1422.1 Ų22.15%0.05312%0.122CC..Hα-helixtrans-82.9-33177.9-68162.7173.378.7-0.6112.1L530 S564 V565 A566 D570 D571 A572 Y657L530-R568 HydrophobicContact CD1-CB 4.32Å; S564-R568 WeakPolarHBondContact O-CD 3.45Å; S564-R568 PolarHBondContact O-NH1 3.47Å; V565-R568 WeakPolarHBondContact O-CB 3.49Å; V565-R568 PolarHBondContact O-N 2.93Å; A566-R568 PolarHBondContact O-N 3.31Å; A566-R568 VanDerWaalsContact O-N 3.15Å; R568-D570 VanDerWaalsContact C-N 3.32Å; R568-D571 PolarHBondContact O-N 2.95Å; R568-A572 VanDerWaalsContact O-CB 3.26Å; R568-A572 WeakPolarHBondContact O-CB 3.28Å; R568-A572 PolarHBondContact O-N 3.12Å; R568-Y657 HydrophobicContact CB-CD2 4.28Å; R568-Y657 HydrophobicContact CB-CE2 4.08Å; R568-Y657 HydrophobicContact CG-CD1 4.27Å; R568-Y657 HydrophobicContact CG-CD2 3.82Å; R568-Y657 HydrophobicContact CG-CE1 4.49Å; R568-Y657 HydrophobicContact CG-CE2 4.06Å; R568-Y657 HydrophobicContact CG-CG 3.92Å
569I95.2Very high89.7Confident0 Ų022 Ų220%012%0.121CC..Hα-helixtrans-59.8-46.7169.8-66.5169.6000109.5L530 V565 A566 D571 K573 P574 I577 L596 A599 I600 A603 H605L530-I569 HydrophobicContact CD1-CG1 3.9Å; V565-I569 HydrophobicContact CG1-CD1 4.07Å; V565-I569 HydrophobicContact CG1-CG1 4.41Å; V565-I569 WeakPolarHBondContact O-CG1 3.44Å; V565-I569 PolarHBondContact O-N 3.16Å; A566-I569 WeakPolarHBondContact O-CB 3.11Å; A566-I569 PolarHBondContact O-N 3.06Å; A566-I569 VanDerWaalsContact O-N 3.08Å; I569-D571 PolarHBondContact O-N 3.41Å; I569-K573 VanDerWaalsContact O-CA 3.27Å; I569-K573 WeakPolarHBondContact O-CA 3.41Å; I569-K573 PolarHBondContact O-N 3.21Å; I569-P574 HydrophobicContact CG2-CG 4.32Å; I569-P574 WeakPolarHBondContact O-CD 3.14Å; I569-I577 HydrophobicContact CD1-CD1 3.72Å; I569-I577 HydrophobicContact CG1-CD1 3.88Å; I569-L596 HydrophobicContact CD1-CD1 4.43Å; I569-A599 HydrophobicContact CD1-CB 4.25Å; I569-I600 HydrophobicContact CD1-CG1 4.06Å; I569-A603 HydrophobicContact CB-CB 4Å; I569-A603 HydrophobicContact CD1-CB 4.45Å; I569-A603 HydrophobicContact CG2-CB 3.74Å; I569-H605 HydrophobicContact CG2-CB 4.35Å; I569-H605 VanDerWaalsContact CG2-O 3.3Å; I569-H605 WeakPolarHBondContact CG2-O 3.42Å
570D95.1Very high90.8Very high45 Ų4521.7 Ų21.724%0.24112%0.118CC..Hα-helixtrans-67.3-33.4-178.5-77.3-24.7000113.7A566 R568 K573 Q604 H605A566-D570 PolarHBondContact O-N 3.12Å; R568-D570 VanDerWaalsContact C-N 3.32Å; D570-K573 VanDerWaalsContact O-CG 3.31Å; D570-K573 WeakPolarHBondContact O-CG 3.35Å; D570-Q604 WeakPolarHBondContact OD1-CA 3.49Å; D570-Q604 PolarHBondContact OD1-N 2.91Å; D570-Q604 PolarHBondContact OD2-N 2.78Å; D570-H605 PolarHBondContact OD1-N 2.99Å
571D92.8Very high91.9Very high15 Ų1521.3 Ų21.38%0.0812%0.116CC..Hα-helixtrans-81.4-48.3178.4-16855.4000113.1A567 R568 I569 K573 Y657 K664 W864A567-D571 PolarHBondContact O-N 2.91Å; R568-D571 PolarHBondContact O-N 2.95Å; I569-D571 PolarHBondContact O-N 3.41Å; D571-K573 VanDerWaalsContact C-N 3.31Å; D571-K573 PolarHBondContact O-N 2.57Å; D571-Y657 HydrophobicContact CB-CE1 4.17Å; D571-Y657 WeakPolarHBondContact CB-OH 3.33Å; D571-Y657 VanDerWaalsContact OD2-CE1 3.23Å; D571-Y657 WeakPolarHBondContact OD2-CE1 3.04Å; D571-Y657 PolarHBondContact OD2-OH 2.81Å; D571-K664 WeakPolarHBondContact OD1-CE 3.35Å; D571-K664 IonicContact OD1-NZ 3.93Å; D571-K664 PolarHBondContact OD1-NZ 3.41Å; D571-W864 PolarHBondContact O-NE1 3Å
572A94.6Very high92.8Very high1 Ų119.6 Ų19.61%0.00810%0.102CC..Hα-helixtrans-72.7-26.2179.900000112.5R528 R568 Y657R528-A572 HydrophobicContact CB-CB 4.49Å; R528-A572 WeakPolarHBondContact CB-O 3.23Å; R528-A572 HydrophobicContact CG-CB 4.47Å; R528-A572 VanDerWaalsContact CG-O 3.28Å; R528-A572 WeakPolarHBondContact CG-O 3.33Å; R528-A572 PolarHBondContact NE-O 3.1Å; R568-A572 VanDerWaalsContact O-CB 3.26Å; R568-A572 WeakPolarHBondContact O-CB 3.28Å; R568-A572 PolarHBondContact O-N 3.12Å; A572-Y657 HydrophobicContact CB-CE2 4.49Å; A572-Y657 WeakPolarHBondContact CB-OH 3.19Å; A572-Y657 PolarHBondContact N-OH 2.95Å; A572-Y657 VanDerWaalsContact N-OH 3.13Å
573K97Very high93.2Very high114 Ų11419.1 Ų19.150%0.49610%0.099SC..  trans46.760.4-173.6-59.8-179.8-178176.60111.8R528 I569 D570 D571 H605R528-K573 PolarHBondContact NH2-O 2.95Å; I569-K573 VanDerWaalsContact O-CA 3.27Å; I569-K573 WeakPolarHBondContact O-CA 3.41Å; I569-K573 PolarHBondContact O-N 3.21Å; D570-K573 VanDerWaalsContact O-CG 3.31Å; D570-K573 WeakPolarHBondContact O-CG 3.35Å; D571-K573 VanDerWaalsContact C-N 3.31Å; D571-K573 PolarHBondContact O-N 2.57Å; K573-H605 VanDerWaalsContact C-NE2 3.35Å; K573-H605 HydrophobicContact CG-CB 4.39Å
574P98.1Very high93.7Very high0 Ų013.5 Ų13.50%07%0.074CC..  trans-69.1140.8-174.730.4-35.5000111.7R528 L530 I569 I577 H605R528-P574 HydrophobicContact CB-CB 4.34Å; R528-P574 CarbonylContact O-C 3.33Å; R528-P574 WeakPolarHBondContact O-CA 3.44Å; R528-P574 WeakPolarHBondContact O-CB 3.35Å; L530-P574 HydrophobicContact CB-CB 3.76Å; L530-P574 HydrophobicContact CB-CG 3.81Å; L530-P574 HydrophobicContact CD1-CG 4.29Å; I569-P574 HydrophobicContact CG2-CG 4.32Å; I569-P574 WeakPolarHBondContact O-CD 3.14Å; P574-I577 HydrophobicContact CB-CG1 4.48Å; P574-I577 HydrophobicContact CG-CD1 4.28Å; P574-I577 HydrophobicContact CG-CG1 4.03Å; P574-H605 PolarHBondContact O-NE2 2.75Å
575V98.3Very high93.9Very high39 Ų3916.6 Ų16.624%0.2369%0.085CC..SBendtrans-78.3-28.5171.9-56.80000111.2V523 D527 R528 R608V523-V575 HydrophobicContact CG2-CG2 4.01Å; D527-V575 HydrophobicContact CB-CG1 4.01Å; D527-V575 HydrophobicContact CB-CG2 3.68Å; R528-V575 PolarHBondContact O-N 3.09Å; V575-R608 WeakPolarHBondContact O-CB 3.34Å; V575-R608 PolarHBondContact O-N 2.89Å
576L98.7Very high93.8Very high2 Ų218 Ų181%0.0110%0.1CC..EExtended strand (participates in β ladder)trans-136138.5-179.2178.671.2000109.4L518 L521 V523 V529 L530 V578 H609 L611L518-L576 HydrophobicContact CD2-CD2 3.34Å; L521-L576 HydrophobicContact CD1-CD1 3.83Å; L521-L576 HydrophobicContact CD1-CD2 4.26Å; V523-L576 HydrophobicContact CG2-CB 3.89Å; V523-L576 HydrophobicContact CG2-CD2 3.76Å; V523-L576 HydrophobicContact CG2-CG 4.47Å; V529-L576 WeakPolarHBondContact CA-O 3.33Å; V529-L576 HydrophobicContact CG1-CB 4.48Å; V529-L576 HydrophobicContact CG1-CD2 4.27Å; V529-L576 HydrophobicContact CG1-CG 4.49Å; V529-L576 HydrophobicContact CG2-CB 4.46Å; L530-L576 PolarHBondContact N-O 2.79Å; L576-V578 HydrophobicContact CD2-CG2 4.15Å; L576-V578 HydrophobicContact CG-CG2 4.32Å; L576-H609 HydrophobicContact CD1-CB 3.68Å; L576-L611 HydrophobicContact CD1-CB 4.21Å
577I98.7Very high93.3Very high0 Ų020.5 Ų20.50%013%0.126CC..EExtended strand (participates in β ladder)trans-112136.7166.8-53.9-174.1000108.7L530 I569 P574 L596 I600 P607 H609 V610 L611L530-I577 HydrophobicContact CB-CG1 4.21Å; L530-I577 HydrophobicContact CD2-CG2 3.84Å; L530-I577 CarbonylContact O-C 3.53Å; L530-I577 VanDerWaalsContact O-CA 3.28Å; L530-I577 WeakPolarHBondContact O-CA 3.49Å; I569-I577 HydrophobicContact CD1-CD1 3.72Å; I569-I577 HydrophobicContact CG1-CD1 3.88Å; P574-I577 HydrophobicContact CB-CG1 4.48Å; P574-I577 HydrophobicContact CG-CD1 4.28Å; P574-I577 HydrophobicContact CG-CG1 4.03Å; I577-L596 HydrophobicContact CD1-CD1 4.1Å; I577-L596 HydrophobicContact CG2-CD1 3.95Å; I577-L596 HydrophobicContact CG2-CD2 3.87Å; I577-I600 HydrophobicContact CD1-CD1 4.32Å; I577-I600 HydrophobicContact CD1-CG1 4.24Å; I577-P607 HydrophobicContact CD1-CB 4.03Å; I577-P607 HydrophobicContact CD1-CG 3.74Å; I577-P607 HydrophobicContact CG1-CB 3.79Å; I577-P607 HydrophobicContact CG1-CG 3.99Å; I577-H609 PolarHBondContact N-O 2.9Å; I577-V610 HydrophobicContact CB-CG2 4.46Å; I577-V610 CarbonylContact O-C 3.32Å; I577-V610 VanDerWaalsContact O-CA 3.28Å; I577-V610 WeakPolarHBondContact O-CA 3.44Å; I577-L611 PolarHBondContact O-N 2.83Å
578V98.6Very high93.3Very high0 Ų026.6 Ų26.60%015%0.146CC..EExtended strand (participates in β ladder)trans-111.5127.4173-170.70000108.8V529 L530 Y532 M533 T542 L576 L611V529-V578 HydrophobicContact CG1-CG2 3.99Å; L530-V578 PolarHBondContact O-N 3.44Å; Y532-V578 PolarHBondContact N-O 2.93Å; M533-V578 HydrophobicContact CG-CG1 4.47Å; M533-V578 HydrophobicContact SD-CG1 4.17Å; T542-V578 HydrophobicContact CG2-CB 4.14Å; T542-V578 HydrophobicContact CG2-CG1 4.21Å; T542-V578 HydrophobicContact CG2-CG2 3.77Å; L576-V578 HydrophobicContact CD2-CG2 4.15Å; L576-V578 HydrophobicContact CG-CG2 4.32Å; V578-L611 WeakPolarHBondContact CA-O 3.34Å; V578-L611 HydrophobicContact CG1-CB 4.46Å; V578-L611 HydrophobicContact CG1-CD2 4.49Å; V578-L611 HydrophobicContact CG2-CB 4.26Å; V578-L611 HydrophobicContact CG2-CD2 4.45Å
579S97.9Very high93.3Very high0 Ų029.9 Ų29.90%016%0.164CC..EExtended strand (participates in β ladder)trans-149.1-179.8-177-172.40000111.5Y532 M533 L596 L611 L612 V613Y532-S579 WeakPolarHBondContact O-CA 3.45Å; Y532-S579 WeakPolarHBondContact O-CB 3.33Å; Y532-S579 PolarHBondContact O-OG 3.02Å; Y532-S579 VanDerWaalsContact O-OG 3.09Å; M533-S579 WeakPolarHBondContact SD-CA 3.41Å; S579-L596 VanDerWaalsContact CB-CD2 3.44Å; S579-L611 PolarHBondContact N-O 3.36Å; S579-L612 CarbonylContact O-C 3.54Å; S579-L612 VanDerWaalsContact O-CA 3.28Å; S579-L612 WeakPolarHBondContact O-CA 3.33Å; S579-V613 PolarHBondContact O-N 2.69Å
580A97.2Very high93Very high0 Ų031.5 Ų31.50%017%0.172CC..EExtended strand (participates in β ladder)trans-125.5167.8176.800000110.8M533 P534 A582 Y592 K593 V613M533-A580 HydrophobicContact CE-CB 4.25Å; M533-A580 HydrophobicContact SD-CB 4.17Å; P534-A580 HydrophobicContact CG-CB 4.01Å; A580-A582 VanDerWaalsContact C-N 3.35Å; A580-Y592 WeakPolarHBondContact O-CB 3.37Å; A580-K593 PolarHBondContact O-N 3.04Å; A580-V613 CarbonylContact C-O 3.33Å; A580-V613 VanDerWaalsContact CA-O 3.23Å; A580-V613 WeakPolarHBondContact CA-O 3.34Å; A580-V613 HydrophobicContact CB-CB 4.16Å
581D96.9Very high92.9Very high1 Ų131.9 Ų31.91%0.00518%0.177CC..SBendtrans-56.6-50.416865.8-43.3000110.9Y592 K593 V613 R615 G616 L617 A618 M620D581-Y592 PolarHBondContact O-N 3.39Å; D581-K593 PolarHBondContact O-N 3.11Å; D581-V613 PolarHBondContact N-O 3.48Å; D581-R615 VanDerWaalsContact OD1-CB 3.25Å; D581-R615 WeakPolarHBondContact OD1-CB 3.33Å; D581-R615 WeakPolarHBondContact OD1-CG 3.3Å; D581-R615 PolarHBondContact OD1-N 3.45Å; D581-G616 PolarHBondContact OD2-N 2.94Å; D581-L617 PolarHBondContact OD2-N 3.05Å; D581-A618 PolarHBondContact OD2-N 3.37Å; D581-A618 VanDerWaalsContact OD2-N 3.08Å; D581-M620 HydrophobicContact CB-CB 4.12Å; D581-M620 HydrophobicContact CB-CE 3.92Å; D581-M620 HydrophobicContact CB-CG 4.32Å; D581-M620 HydrophobicContact CB-SD 3.92Å
582A94.9Very high93Very high0 Ų031.7 Ų31.70%018%0.175CC..  trans-158.3163.1178.100000114.3A580 I589 I590 R615 L617 A618A580-A582 VanDerWaalsContact C-N 3.35Å; A582-I589 HydrophobicContact CB-CG2 3.63Å; A582-I590 CarbonylContact C-O 3.48Å; A582-I590 WeakPolarHBondContact CA-O 3.33Å; A582-I590 WeakPolarHBondContact CB-O 3.5Å; A582-R615 WeakPolarHBondContact O-CD 3.5Å; A582-R615 PolarHBondContact O-NH1 2.71Å; A582-L617 HydrophobicContact CB-CB 3.88Å; A582-A618 HydrophobicContact CB-CB 3.71Å
583G91.9Very high93Very high2 Ų231.9 Ų31.92%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-106.7165.7162.500000110.6I590G583-I590 PolarHBondContact N-O 2.99Å; G583-I590 PolarHBondContact O-N 3.39Å
584A89.4Confident92.9Very high8 Ų832.2 Ų32.27%0.06618%0.177CC..EExtended strand (participates in β ladder)trans-125.4140.5171.200000110.2E495 T496 K588 I589 L617 E725E495-A584 HydrophobicContact CB-CB 3.54Å; E495-A584 HydrophobicContact CG-CB 4.17Å; T496-A584 HydrophobicContact CG2-CB 4.42Å; A584-K588 WeakPolarHBondContact CA-O 3.46Å; A584-I589 HydrophobicContact CB-CD1 4.05Å; A584-L617 HydrophobicContact CB-CD1 4.35Å; A584-E725 PolarHBondContact N-OE1 3.43Å; A584-E725 WeakPolarHBondContact O-CG 3.5Å
585R85Confident92.6Very high72 Ų7234.1 Ų34.127%0.27219%0.187SC..EExtended strand (participates in β ladder)trans-158.2126.9177.1-171.1170.5175162.3-5.4111.1E495 G587 K588 I590 L727E495-R585 WeakPolarHBondContact OE1-CA 3.43Å; R585-G587 VanDerWaalsContact C-N 3.26Å; R585-G587 PolarHBondContact O-N 3.06Å; R585-K588 PolarHBondContact N-O 2.92Å; R585-K588 PolarHBondContact O-N 2.99Å; R585-K588 VanDerWaalsContact O-N 3.08Å; R585-I590 HydrophobicContact CB-CD1 4.19Å; R585-L727 HydrophobicContact CG-CD2 4.02Å; R585-L727 HydrophobicContact CG-CG 4.17Å
586G82.5Confident92.5Very high30 Ų3032.2 Ų32.231%0.30918%0.176SC..THydrogen-bonded Turntrans57.338.3-178.500000112.9E495 K588E495-G586 PolarHBondContact OE1-N 3.08Å; E495-G586 PolarHBondContact OE2-N 3.41Å; E495-G586 VanDerWaalsContact OE2-N 3.11Å; G586-K588 PolarHBondContact O-N 3.02Å
587G80.8Confident92.4Very high56 Ų5633.9 Ų33.958%0.57719%0.185SC*.THydrogen-bonded Turntrans72.43.4-176.200000115.1E495 R585E495-G587 PolarHBondContact OE2-N 3.11Å; R585-G587 VanDerWaalsContact C-N 3.26Å; R585-G587 PolarHBondContact O-N 3.06Å
588K85.9Confident92.3Very high160 Ų16036.4 Ų36.470%0.69620%0.198SC*.EExtended strand (participates in β ladder)trans-103.8136.5179.3-63.3179.2-176.3173.50111.2A584 R585 G586A584-K588 WeakPolarHBondContact CA-O 3.46Å; R585-K588 PolarHBondContact N-O 2.92Å; R585-K588 PolarHBondContact O-N 2.99Å; R585-K588 VanDerWaalsContact O-N 3.08Å; G586-K588 PolarHBondContact O-N 3.02Å
589I90.5Very high92Very high83 Ų8336.4 Ų36.443%0.42620%0.198SC..EExtended strand (participates in β ladder)trans-84.1128.3173.3-57.7-55000110A582 A584 L617 A618A582-I589 HydrophobicContact CB-CG2 3.63Å; A584-I589 HydrophobicContact CB-CD1 4.05Å; I589-L617 HydrophobicContact CD1-CB 4.27Å; I589-L617 HydrophobicContact CD1-CD2 4.17Å; I589-L617 HydrophobicContact CG2-CB 4.47Å; I589-A618 HydrophobicContact CG2-CB 4.2Å
590I88.2Confident92Very high33 Ų3336.5 Ų36.517%0.16920%0.199CC..EExtended strand (participates in β ladder)trans-105.7113.8176.8-56.2173.7000107.7A582 G583 R585 Y592 L595A582-I590 CarbonylContact C-O 3.48Å; A582-I590 WeakPolarHBondContact CA-O 3.33Å; A582-I590 WeakPolarHBondContact CB-O 3.5Å; G583-I590 PolarHBondContact N-O 2.99Å; G583-I590 PolarHBondContact O-N 3.39Å; R585-I590 HydrophobicContact CB-CD1 4.19Å; I590-Y592 HydrophobicContact CB-CD2 4.24Å; I590-Y592 HydrophobicContact CB-CE2 4.09Å; I590-Y592 HydrophobicContact CG2-CD2 3.92Å; I590-Y592 HydrophobicContact CG2-CE2 3.82Å; I590-Y592 WeakPolarHBondContact O-CD2 3.25Å; I590-Y592 PolarHBondContact O-N 3.05Å; I590-L595 HydrophobicContact CG2-CD1 3.99Å
591P92.1Very high92Very high54 Ų5440.8 Ų40.835%0.35123%0.229SC..  trans-81.879.6-172.332.9-36.1000112.3K593 K594 L595P591-K593 VanDerWaalsContact C-N 3.3Å; P591-K593 PolarHBondContact O-N 3.21Å; P591-K594 HydrophobicContact CB-CB 4.22Å; P591-K594 PolarHBondContact O-N 3.43Å; P591-L595 PolarHBondContact O-N 3.38Å; P591-L595 VanDerWaalsContact O-N 3.12Å
592Y94.7Very high91.8Very high11 Ų1145.4 Ų45.44%0.04325%0.25CS..Hα-helixtrans-54.5-41.7-177.8-88.1-118.3000112.8Y532 M533 G558 A580 D581 I590 K594 L595 L596Y532-Y592 AromaticContact CD1-CD1 3.85Å; Y532-Y592 HydrophobicContact CD1-CD1 3.85Å; Y532-Y592 HydrophobicContact CD1-CE1 4.43Å; Y532-Y592 HydrophobicContact CD2-CD1 4.45Å; Y532-Y592 HydrophobicContact CD2-CE1 4.24Å; Y532-Y592 AromaticContact CE1-CD1 3.65Å; Y532-Y592 HydrophobicContact CE1-CD1 3.65Å; Y532-Y592 HydrophobicContact CE1-CE1 4.23Å; Y532-Y592 HydrophobicContact CE1-CG 4.25Å; Y532-Y592 HydrophobicContact CE2-CD1 4.29Å; Y532-Y592 HydrophobicContact CE2-CE1 4.03Å; Y532-Y592 HydrophobicContact CG-CD1 4.25Å; Y532-Y592 HydrophobicContact CG-CE1 4.44Å; Y532-Y592 AromaticContact CZ-CD1 3.88Å; Y532-Y592 WeakPolarHBondContact O-CD1 3.24Å; M533-Y592 PolarHBondContact O-OH 3.37Å; G558-Y592 WeakPolarHBondContact CA-OH 3.36Å; G558-Y592 PolarHBondContact O-OH 3.45Å; A580-Y592 WeakPolarHBondContact O-CB 3.37Å; D581-Y592 PolarHBondContact O-N 3.39Å; I590-Y592 HydrophobicContact CB-CD2 4.24Å; I590-Y592 HydrophobicContact CB-CE2 4.09Å; I590-Y592 HydrophobicContact CG2-CD2 3.92Å; I590-Y592 HydrophobicContact CG2-CE2 3.82Å; I590-Y592 WeakPolarHBondContact O-CD2 3.25Å; I590-Y592 PolarHBondContact O-N 3.05Å; Y592-K594 PolarHBondContact O-N 3.35Å; Y592-L595 PolarHBondContact O-N 3.1Å; Y592-L596 VanDerWaalsContact O-CB 3.32Å; Y592-L596 WeakPolarHBondContact O-CB 3.46Å; Y592-L596 PolarHBondContact O-N 3.4Å
593K96.2Very high91.8Very high5 Ų545.7 Ų45.72%0.02225%0.253CS..Hα-helixtrans-57.9-49.7178.3179.963.815865.10112.2A580 D581 P591 L595 L596 D597 L612 M620 A621 D627A580-K593 PolarHBondContact O-N 3.04Å; D581-K593 PolarHBondContact O-N 3.11Å; P591-K593 VanDerWaalsContact C-N 3.3Å; P591-K593 PolarHBondContact O-N 3.21Å; K593-L595 VanDerWaalsContact C-N 3.34Å; K593-L595 PolarHBondContact O-N 3.11Å; K593-L596 PolarHBondContact O-N 3.39Å; K593-D597 IonicContact NZ-OD1 3.19Å; K593-D597 PolarHBondContact NZ-OD1 2.91Å; K593-D597 IonicContact NZ-OD2 3.01Å; K593-D597 PolarHBondContact NZ-OD2 2.87Å; K593-D597 PolarHBondContact O-N 3.48Å; K593-L612 HydrophobicContact CD-CD1 3.92Å; K593-L612 HydrophobicContact CD-CD2 3.84Å; K593-M620 HydrophobicContact CB-CG 3.72Å; K593-M620 HydrophobicContact CB-SD 4.25Å; K593-M620 HydrophobicContact CD-CG 3.96Å; K593-M620 HydrophobicContact CD-SD 4.2Å; K593-M620 HydrophobicContact CG-CG 3.47Å; K593-M620 VanDerWaalsContact CG-CG 3.47Å; K593-M620 HydrophobicContact CG-SD 4.25Å; K593-A621 WeakPolarHBondContact CE-O 3.25Å; K593-A621 PolarHBondContact NZ-O 2.91Å; K593-D627 WeakPolarHBondContact CE-OD2 3.49Å; K593-D627 IonicContact NZ-OD2 2.6Å; K593-D627 PolarHBondContact NZ-OD2 2.64Å
594K94.3Very high92.1Very high120 Ų12054.2 Ų54.252%0.52229%0.292SS..Hα-helixtrans-60.8-48-179.4-176.2-170.7177.3-61.20110.1P591 Y592 L596 D597 D598P591-K594 HydrophobicContact CB-CB 4.22Å; P591-K594 PolarHBondContact O-N 3.43Å; Y592-K594 PolarHBondContact O-N 3.35Å; K594-L596 PolarHBondContact O-N 3Å; K594-D597 PolarHBondContact O-N 3.42Å; K594-D598 IonicContact NZ-OD1 3.35Å; K594-D598 IonicContact NZ-OD2 3.9Å; K594-D598 PolarHBondContact NZ-OD2 3.04Å; K594-D598 WeakPolarHBondContact O-CB 3.46Å; K594-D598 VanDerWaalsContact O-CG 3.26Å; K594-D598 PolarHBondContact O-N 3.49Å
595L91.9Very high92.4Very high40 Ų4056.3 Ų56.321%0.20930%0.301CS..Hα-helixtrans-59.3-38.5178.9-69.1169.2000111.8Y532 S562 I590 P591 Y592 K593 A599Y532-L595 HydrophobicContact CE1-CB 4.34Å; S562-L595 WeakPolarHBondContact CB-O 3.36Å; S562-L595 WeakPolarHBondContact OG-CA 3.21Å; S562-L595 PolarHBondContact OG-O 3.21Å; I590-L595 HydrophobicContact CG2-CD1 3.99Å; P591-L595 PolarHBondContact O-N 3.38Å; P591-L595 VanDerWaalsContact O-N 3.12Å; Y592-L595 PolarHBondContact O-N 3.1Å; K593-L595 VanDerWaalsContact C-N 3.34Å; K593-L595 PolarHBondContact O-N 3.11Å; L595-A599 WeakPolarHBondContact O-CB 3.36Å; L595-A599 PolarHBondContact O-N 2.77Å
596L96.4Very high93Very high0 Ų057.7 Ų57.70%031%0.31CS..Hα-helixtrans-70.9-42.5177.5178.160.2000112.6Y532 V565 I569 I577 S579 Y592 K593 K594 D598 A599 I600 V610Y532-L596 HydrophobicContact CD1-CB 4.36Å; V565-L596 HydrophobicContact CG1-CD1 4.43Å; I569-L596 HydrophobicContact CD1-CD1 4.43Å; I577-L596 HydrophobicContact CD1-CD1 4.1Å; I577-L596 HydrophobicContact CG2-CD1 3.95Å; I577-L596 HydrophobicContact CG2-CD2 3.87Å; S579-L596 VanDerWaalsContact CB-CD2 3.44Å; Y592-L596 VanDerWaalsContact O-CB 3.32Å; Y592-L596 WeakPolarHBondContact O-CB 3.46Å; Y592-L596 PolarHBondContact O-N 3.4Å; K593-L596 PolarHBondContact O-N 3.39Å; K594-L596 PolarHBondContact O-N 3Å; L596-D598 VanDerWaalsContact C-N 3.32Å; L596-D598 PolarHBondContact O-N 3.41Å; L596-A599 WeakPolarHBondContact O-CB 3.49Å; L596-A599 PolarHBondContact O-N 2.97Å; L596-A599 VanDerWaalsContact O-N 3.14Å; L596-I600 HydrophobicContact CD1-CD1 3.92Å; L596-I600 HydrophobicContact CD1-CG1 3.98Å; L596-I600 HydrophobicContact CD2-CD1 4.4Å; L596-I600 HydrophobicContact CG-CD1 3.8Å; L596-I600 HydrophobicContact CG-CG1 4.31Å; L596-I600 WeakPolarHBondContact O-CG1 3.18Å; L596-I600 PolarHBondContact O-N 3.14Å; L596-V610 HydrophobicContact CD2-CG1 3.63Å
597D97.1Very high93.7Very high36 Ų3656.7 Ų56.719%0.19330%0.298CS..Hα-helixtrans-61.1-44.5176.2-73.5-25.7000111.2K593 K594 A599 I600 S601 R626K593-D597 IonicContact NZ-OD1 3.19Å; K593-D597 PolarHBondContact NZ-OD1 2.91Å; K593-D597 IonicContact NZ-OD2 3.01Å; K593-D597 PolarHBondContact NZ-OD2 2.87Å; K593-D597 PolarHBondContact O-N 3.48Å; K594-D597 PolarHBondContact O-N 3.42Å; D597-A599 VanDerWaalsContact C-N 3.27Å; D597-A599 PolarHBondContact O-N 3.4Å; D597-I600 PolarHBondContact O-N 3.15Å; D597-S601 WeakPolarHBondContact O-CB 3.36Å; D597-S601 PolarHBondContact O-N 3.12Å; D597-R626 IonicContact OD1-CZ 3.34Å; D597-R626 IonicContact OD1-NH1 2.83Å; D597-R626 IonicContact OD1-NH2 3.51Å; D597-R626 PolarHBondContact OD1-NH2 3.22Å
598D95.1Very high94.5Very high53 Ų5361.9 Ų61.928%0.28330%0.3SS..Hα-helixtrans-59.5-40.5174.7-68.6-18.6000110.3S562 K594 L596 S601 Q602S562-D598 WeakPolarHBondContact OG-CB 3.17Å; K594-D598 IonicContact NZ-OD1 3.35Å; K594-D598 IonicContact NZ-OD2 3.9Å; K594-D598 PolarHBondContact NZ-OD2 3.04Å; K594-D598 WeakPolarHBondContact O-CB 3.46Å; K594-D598 VanDerWaalsContact O-CG 3.26Å; K594-D598 PolarHBondContact O-N 3.49Å; L596-D598 VanDerWaalsContact C-N 3.32Å; L596-D598 PolarHBondContact O-N 3.41Å; D598-S601 PolarHBondContact O-N 2.94Å; D598-S601 PolarHBondContact O-OG 3.02Å; D598-Q602 VanDerWaalsContact O-CG 3.28Å; D598-Q602 WeakPolarHBondContact O-CG 3.48Å; D598-Q602 PolarHBondContact O-N 3.45Å; D598-Q602 PolarHBondContact O-NE2 3.2Å
599A92.8Very high95.1Very high0 Ų056.4 Ų56.40%028%0.277CS..Hα-helixtrans-66.9-45.1177.200000112.6S562 V565 A566 I569 L595 L596 D597 S601 Q602 A603S562-A599 WeakPolarHBondContact O-CB 3.16Å; V565-A599 HydrophobicContact CB-CB 3.74Å; V565-A599 HydrophobicContact CG1-CB 3.79Å; A566-A599 HydrophobicContact CB-CB 4.39Å; A566-A599 WeakPolarHBondContact CB-O 3.36Å; I569-A599 HydrophobicContact CD1-CB 4.25Å; L595-A599 WeakPolarHBondContact O-CB 3.36Å; L595-A599 PolarHBondContact O-N 2.77Å; L596-A599 WeakPolarHBondContact O-CB 3.49Å; L596-A599 PolarHBondContact O-N 2.97Å; L596-A599 VanDerWaalsContact O-N 3.14Å; D597-A599 VanDerWaalsContact C-N 3.27Å; D597-A599 PolarHBondContact O-N 3.4Å; A599-S601 VanDerWaalsContact C-N 3.29Å; A599-S601 PolarHBondContact O-N 3.35Å; A599-Q602 PolarHBondContact O-N 2.83Å; A599-A603 WeakPolarHBondContact O-CB 3.39Å; A599-A603 PolarHBondContact O-N 3.06Å
600I97.7Very high95.4Very high2 Ų252.4 Ų52.41%0.0126%0.257CS..Hα-helixtrans-63.4-37.2177.9-69168.5000110.5I569 I577 L596 D597 Q602 A603 Q606 P607 V610I569-I600 HydrophobicContact CD1-CG1 4.06Å; I577-I600 HydrophobicContact CD1-CD1 4.32Å; I577-I600 HydrophobicContact CD1-CG1 4.24Å; L596-I600 HydrophobicContact CD1-CD1 3.92Å; L596-I600 HydrophobicContact CD1-CG1 3.98Å; L596-I600 HydrophobicContact CD2-CD1 4.4Å; L596-I600 HydrophobicContact CG-CD1 3.8Å; L596-I600 HydrophobicContact CG-CG1 4.31Å; L596-I600 WeakPolarHBondContact O-CG1 3.18Å; L596-I600 PolarHBondContact O-N 3.14Å; D597-I600 PolarHBondContact O-N 3.15Å; I600-Q602 VanDerWaalsContact C-N 3.29Å; I600-Q602 PolarHBondContact O-N 2.87Å; I600-A603 PolarHBondContact O-N 2.96Å; I600-Q606 PolarHBondContact O-NE2 3.02Å; I600-P607 HydrophobicContact CD1-CG 4.1Å; I600-P607 HydrophobicContact CG1-CG 4.37Å; I600-V610 HydrophobicContact CD1-CG2 3.78Å
601S96.6Very high95.9Very high91 Ų9150.9 Ų50.964%0.63625%0.249SC*.Hα-helixtrans-67.8-29.3176.574.70000113.3D597 D598 A599D597-S601 WeakPolarHBondContact O-CB 3.36Å; D597-S601 PolarHBondContact O-N 3.12Å; D598-S601 PolarHBondContact O-N 2.94Å; D598-S601 PolarHBondContact O-OG 3.02Å; A599-S601 VanDerWaalsContact C-N 3.29Å; A599-S601 PolarHBondContact O-N 3.35Å
602Q94.2Very high96.2Very high97 Ų9748.3 Ų48.345%0.45323%0.232SC..Hα-helixtrans-83.1-28.6176.8-71.3171.848.200112.9A566 D598 A599 I600A566-Q602 HydrophobicContact CB-CB 3.87Å; D598-Q602 VanDerWaalsContact O-CG 3.28Å; D598-Q602 WeakPolarHBondContact O-CG 3.48Å; D598-Q602 PolarHBondContact O-N 3.45Å; D598-Q602 PolarHBondContact O-NE2 3.2Å; A599-Q602 PolarHBondContact O-N 2.83Å; I600-Q602 VanDerWaalsContact C-N 3.29Å; I600-Q602 PolarHBondContact O-N 2.87Å
603A95.5Very high96.4Very high6 Ų648.3 Ų48.35%0.0523%0.233CC..  trans-73141.8-179.300000111.7A566 I569 A599 I600 Q606A566-A603 HydrophobicContact CB-CB 4.2Å; I569-A603 HydrophobicContact CB-CB 4Å; I569-A603 HydrophobicContact CD1-CB 4.45Å; I569-A603 HydrophobicContact CG2-CB 3.74Å; A599-A603 WeakPolarHBondContact O-CB 3.39Å; A599-A603 PolarHBondContact O-N 3.06Å; I600-A603 PolarHBondContact O-N 2.96Å; A603-Q606 PolarHBondContact O-NE2 3.49Å
604Q96.3Very high96.4Very high181 Ų18152.2 Ų52.285%0.84625%0.254SS*.SBendtrans-72.5-37.8171.1-60.6-177.4-200111.5D570D570-Q604 WeakPolarHBondContact OD1-CA 3.49Å; D570-Q604 PolarHBondContact OD1-N 2.91Å; D570-Q604 PolarHBondContact OD2-N 2.78Å
605H97.4Very high96.4Very high53 Ų5348.6 Ų48.625%0.24524%0.237CC..SBendtrans-83.7127.3177.5-178.781.3000111.3I569 D570 K573 P574I569-H605 HydrophobicContact CG2-CB 4.35Å; I569-H605 VanDerWaalsContact CG2-O 3.3Å; I569-H605 WeakPolarHBondContact CG2-O 3.42Å; D570-H605 PolarHBondContact OD1-N 2.99Å; K573-H605 VanDerWaalsContact C-NE2 3.35Å; K573-H605 HydrophobicContact CG-CB 4.39Å; P574-H605 PolarHBondContact O-NE2 2.75Å
606Q97Very high96.6Very high100 Ų10049.8 Ų49.847%0.46726%0.26SS..PPolyproline II helixtrans-103.2124.4178.6-61.7-61.7-52.100110.2I600 A603I600-Q606 PolarHBondContact O-NE2 3.02Å; A603-Q606 PolarHBondContact O-NE2 3.49Å
607P97Very high96.5Very high9 Ų952.2 Ų52.26%0.05827%0.272CS..PPolyproline II helixtrans-69.5151.4175.332.7-37.1000110.6I577 I600 V610I577-P607 HydrophobicContact CD1-CB 4.03Å; I577-P607 HydrophobicContact CD1-CG 3.74Å; I577-P607 HydrophobicContact CG1-CB 3.79Å; I577-P607 HydrophobicContact CG1-CG 3.99Å; I600-P607 HydrophobicContact CD1-CG 4.1Å; I600-P607 HydrophobicContact CG1-CG 4.37Å; P607-V610 HydrophobicContact CG-CG2 4.27Å
608R97.1Very high96.3Very high166 Ų16651.9 Ų51.963%0.62627%0.274SS*.SBendtrans-67.5-45.6177.3179.8-176.8-95173.7-5.8111.1V575V575-R608 WeakPolarHBondContact O-CB 3.34Å; V575-R608 PolarHBondContact O-N 2.89Å
609H98.3Very high96.1Very high44 Ų4459.7 Ų59.720%0.20431%0.306CS..EExtended strand (participates in β ladder)trans-135.8158.9179.3-66.4-58.1000111.3L576 I577 R626L576-H609 HydrophobicContact CD1-CB 3.68Å; I577-H609 PolarHBondContact N-O 2.9Å; H609-R626 CarbonylContact C-O 3.55Å; H609-R626 VanDerWaalsContact CA-O 3.26Å; H609-R626 WeakPolarHBondContact CA-O 3.41Å; H609-R626 PolarHBondContact ND1-O 3.45Å
610V98.5Very high95.9Very high0 Ų060.9 Ų60.90%031%0.312CS..EExtended strand (participates in β ladder)trans-122.4116.2166.1-175.80000108I577 L596 I600 P607 L612 R626 D627 V628I577-V610 HydrophobicContact CB-CG2 4.46Å; I577-V610 CarbonylContact O-C 3.32Å; I577-V610 VanDerWaalsContact O-CA 3.28Å; I577-V610 WeakPolarHBondContact O-CA 3.44Å; L596-V610 HydrophobicContact CD2-CG1 3.63Å; I600-V610 HydrophobicContact CD1-CG2 3.78Å; P607-V610 HydrophobicContact CG-CG2 4.27Å; V610-L612 HydrophobicContact CG1-CD1 4.41Å; V610-L612 HydrophobicContact CG1-CD2 3.67Å; V610-L612 HydrophobicContact CG1-CG 3.88Å; V610-R626 HydrophobicContact CG2-CG 4.11Å; V610-R626 PolarHBondContact N-O 3.34Å; V610-D627 CarbonylContact O-C 3.47Å; V610-D627 WeakPolarHBondContact O-CA 3.33Å; V610-V628 PolarHBondContact O-N 3Å
611L98.5Very high95.5Very high0 Ų064.4 Ų64.40%034%0.341CS..EExtended strand (participates in β ladder)trans-90.8119.9176.6-175.565.2000109.3M517 L521 L576 I577 V578 S579 V628 F630 L633M517-L611 HydrophobicContact CE-CD1 4.24Å; M517-L611 HydrophobicContact CE-CD2 3.88Å; L521-L611 HydrophobicContact CD1-CB 4.32Å; L521-L611 HydrophobicContact CD1-CD1 4.16Å; L521-L611 HydrophobicContact CD1-CD2 4.43Å; L576-L611 HydrophobicContact CD1-CB 4.21Å; I577-L611 PolarHBondContact O-N 2.83Å; V578-L611 WeakPolarHBondContact CA-O 3.34Å; V578-L611 HydrophobicContact CG1-CB 4.46Å; V578-L611 HydrophobicContact CG1-CD2 4.49Å; V578-L611 HydrophobicContact CG2-CB 4.26Å; V578-L611 HydrophobicContact CG2-CD2 4.45Å; S579-L611 PolarHBondContact N-O 3.36Å; L611-V628 HydrophobicContact CD1-CB 4.19Å; L611-V628 HydrophobicContact CD1-CG1 4.1Å; L611-F630 HydrophobicContact CD1-CB 4.23Å; L611-F630 HydrophobicContact CD1-CD2 4.39Å; L611-F630 HydrophobicContact CD2-CD2 3.56Å; L611-F630 HydrophobicContact CD2-CE2 3.94Å; L611-F630 HydrophobicContact CD2-CG 4.48Å; L611-F630 HydrophobicContact CG-CB 4.28Å; L611-F630 HydrophobicContact CG-CD2 3.74Å; L611-F630 HydrophobicContact CG-CG 4.4Å; L611-L633 HydrophobicContact CD1-CD2 4.15Å
612L98.5Very high95.4Very high0 Ų064.5 Ų64.50%033%0.327CS..EExtended strand (participates in β ladder)trans-117.2125.5-168.4-66.2164.7000111.9S579 K593 V610 M620 D627 V628 F630S579-L612 CarbonylContact O-C 3.54Å; S579-L612 VanDerWaalsContact O-CA 3.28Å; S579-L612 WeakPolarHBondContact O-CA 3.33Å; K593-L612 HydrophobicContact CD-CD1 3.92Å; K593-L612 HydrophobicContact CD-CD2 3.84Å; V610-L612 HydrophobicContact CG1-CD1 4.41Å; V610-L612 HydrophobicContact CG1-CD2 3.67Å; V610-L612 HydrophobicContact CG1-CG 3.88Å; L612-M620 HydrophobicContact CB-CE 4.31Å; L612-M620 HydrophobicContact CB-SD 3.85Å; L612-M620 HydrophobicContact CD1-SD 3.66Å; L612-M620 HydrophobicContact CD2-SD 4.06Å; L612-M620 HydrophobicContact CG-SD 4.05Å; L612-D627 HydrophobicContact CD1-CB 3.73Å; L612-V628 PolarHBondContact N-O 3.2Å; L612-F630 VanDerWaalsContact O-CB 3.24Å; L612-F630 WeakPolarHBondContact O-CB 3.31Å; L612-F630 PolarHBondContact O-N 2.82Å
613V98Very high95.5Very high12 Ų1262.8 Ų62.87%0.07332%0.323CS..EExtended strand (participates in β ladder)trans-82.8123.1166.5-177.40000108.9M533 I536 E538 S579 A580 D581 R615 F630M533-V613 HydrophobicContact CE-CB 4.14Å; M533-V613 HydrophobicContact CE-CG2 3.58Å; I536-V613 HydrophobicContact CD1-CG1 4.1Å; E538-V613 HydrophobicContact CB-CG2 3.89Å; E538-V613 HydrophobicContact CG-CG1 4.36Å; E538-V613 HydrophobicContact CG-CG2 3.85Å; S579-V613 PolarHBondContact O-N 2.69Å; A580-V613 CarbonylContact C-O 3.33Å; A580-V613 VanDerWaalsContact CA-O 3.23Å; A580-V613 WeakPolarHBondContact CA-O 3.34Å; A580-V613 HydrophobicContact CB-CB 4.16Å; D581-V613 PolarHBondContact N-O 3.48Å; V613-R615 HydrophobicContact CG1-CG 3.99Å; V613-F630 HydrophobicContact CG2-CB 3.88Å; V613-F630 HydrophobicContact CG2-CD1 4.41Å; V613-F630 HydrophobicContact CG2-CD2 3.8Å; V613-F630 HydrophobicContact CG2-CE2 4.46Å; V613-F630 HydrophobicContact CG2-CG 3.8Å
614D96.7Very high95.4Very high86 Ų8668.5 Ų68.546%0.4636%0.363SS..  trans-97.6102.7177.1-158.9-28.6000109.5G616 M620 R622D614-G616 PolarHBondContact OD1-N 3.49Å; D614-M620 HydrophobicContact CB-CE 3.89Å; D614-M620 WeakPolarHBondContact OD2-CE 2.94Å; D614-R622 IonicContact OD2-NH2 2.7Å; D614-R622 PolarHBondContact OD2-NH2 2.65Å; D614-R622 VanDerWaalsContact OD2-NH2 3.08Å
615R94.8Very high95.3Very high44 Ų4463.2 Ų63.217%0.16636%0.357CS..  trans-93.1-5.2179.8-55.4176.266.4-168.63112.8D581 A582 V613 L617 E725D581-R615 VanDerWaalsContact OD1-CB 3.25Å; D581-R615 WeakPolarHBondContact OD1-CB 3.33Å; D581-R615 WeakPolarHBondContact OD1-CG 3.3Å; D581-R615 PolarHBondContact OD1-N 3.45Å; A582-R615 WeakPolarHBondContact O-CD 3.5Å; A582-R615 PolarHBondContact O-NH1 2.71Å; V613-R615 HydrophobicContact CG1-CG 3.99Å; R615-L617 HydrophobicContact CB-CD1 4.16Å; R615-L617 HydrophobicContact CB-CG 3.95Å; R615-L617 PolarHBondContact O-N 3.24Å; R615-E725 IonicContact CZ-OE1 2.86Å; R615-E725 IonicContact CZ-OE2 2.7Å; R615-E725 IonicContact NH1-OE1 2.85Å; R615-E725 PolarHBondContact NH1-OE1 3.13Å; R615-E725 IonicContact NH1-OE2 3.31Å; R615-E725 IonicContact NH2-OE1 3.76Å; R615-E725 PolarHBondContact NH2-OE1 2.87Å; R615-E725 IonicContact NH2-OE2 3.53Å; R615-E725 PolarHBondContact NH2-OE2 2.52Å
616G94.7Very high95.2Very high66 Ų6662.6 Ų62.668%0.6835%0.352SS*.SBendtrans68.618.1-175.400000114.6D581 D614D581-G616 PolarHBondContact OD2-N 2.94Å; D614-G616 PolarHBondContact OD1-N 3.49Å
617L94.4Very high95.3Very high50 Ų5058.9 Ų58.926%0.26234%0.336SS..SBendtrans-87.9-29.2-178.5-68.8-177.9000112.5T496 D581 A582 A584 I589 R615T496-L617 HydrophobicContact CG2-CD1 4.06Å; T496-L617 HydrophobicContact CG2-CD2 3.98Å; D581-L617 PolarHBondContact OD2-N 3.05Å; A582-L617 HydrophobicContact CB-CB 3.88Å; A584-L617 HydrophobicContact CB-CD1 4.35Å; I589-L617 HydrophobicContact CD1-CB 4.27Å; I589-L617 HydrophobicContact CD1-CD2 4.17Å; I589-L617 HydrophobicContact CG2-CB 4.47Å; R615-L617 HydrophobicContact CB-CD1 4.16Å; R615-L617 HydrophobicContact CB-CG 3.95Å; R615-L617 PolarHBondContact O-N 3.24Å
618A93.5Very high95.4Very high29 Ų2960.1 Ų60.124%0.2434%0.343CS..SBendtrans-143151.2176.100000112.1D581 A582 I589 M620D581-A618 PolarHBondContact OD2-N 3.37Å; D581-A618 VanDerWaalsContact OD2-N 3.08Å; A582-A618 HydrophobicContact CB-CB 3.71Å; I589-A618 HydrophobicContact CG2-CB 4.2Å; A618-M620 PolarHBondContact O-N 3.42Å
619K89.6Confident95.4Very high217 Ų21753.8 Ų53.894%0.94332%0.322SS*.  trans-63.9125.9171.5-71.9-172.2-174.9-178.10109.9
620M88.9Confident95.4Very high26 Ų2652 Ų5213%0.12831%0.314CS..  trans-112104-175.1-165.9174.227.100110.9D581 K593 L612 D614 A618 R622D581-M620 HydrophobicContact CB-CB 4.12Å; D581-M620 HydrophobicContact CB-CE 3.92Å; D581-M620 HydrophobicContact CB-CG 4.32Å; D581-M620 HydrophobicContact CB-SD 3.92Å; K593-M620 HydrophobicContact CB-CG 3.72Å; K593-M620 HydrophobicContact CB-SD 4.25Å; K593-M620 HydrophobicContact CD-CG 3.96Å; K593-M620 HydrophobicContact CD-SD 4.2Å; K593-M620 HydrophobicContact CG-CG 3.47Å; K593-M620 VanDerWaalsContact CG-CG 3.47Å; K593-M620 HydrophobicContact CG-SD 4.25Å; L612-M620 HydrophobicContact CB-CE 4.31Å; L612-M620 HydrophobicContact CB-SD 3.85Å; L612-M620 HydrophobicContact CD1-SD 3.66Å; L612-M620 HydrophobicContact CD2-SD 4.06Å; L612-M620 HydrophobicContact CG-SD 4.05Å; D614-M620 HydrophobicContact CB-CE 3.89Å; D614-M620 WeakPolarHBondContact OD2-CE 2.94Å; A618-M620 PolarHBondContact O-N 3.42Å; M620-R622 VanDerWaalsContact CE-NE 3.32Å; M620-R622 PolarHBondContact O-N 2.96Å
621A90Very high95.3Very high75 Ų7555.1 Ų55.162%0.6234%0.339SS*.  trans-70.3111.6173.300000109.8K593K593-A621 WeakPolarHBondContact CE-O 3.25Å; K593-A621 PolarHBondContact NZ-O 2.91Å
622R93.9Very high95.3Very high94 Ų9458.4 Ų58.436%0.35536%0.362SS..  trans-85.2133.9-178.4-59.6-76-170.3146.52.1110.6D614 M620 D629D614-R622 IonicContact OD2-NH2 2.7Å; D614-R622 PolarHBondContact OD2-NH2 2.65Å; D614-R622 VanDerWaalsContact OD2-NH2 3.08Å; M620-R622 VanDerWaalsContact CE-NE 3.32Å; M620-R622 PolarHBondContact O-N 2.96Å; R622-D629 IonicContact CZ-OD1 3.26Å; R622-D629 IonicContact NH1-OD1 3.91Å; R622-D629 IonicContact NH2-OD1 3.84Å; R622-D629 PolarHBondContact NH2-OD1 3.15Å
623V96.1Very high95.2Very high61 Ų6159.2 Ų59.237%0.3737%0.366SS..  trans-95.3111.6173.4-179.50000109.7R626 D627V623-R626 HydrophobicContact CB-CB 4.44Å; V623-R626 HydrophobicContact CG1-CB 4.17Å; V623-R626 VanDerWaalsContact CG2-NH2 3.29Å; V623-R626 PolarHBondContact O-N 3.28Å; V623-D627 PolarHBondContact N-OD2 2.86Å; V623-D627 WeakPolarHBondContact O-CB 3.38Å; V623-D627 PolarHBondContact O-N 3.12Å
624S94.3Very high95.2Very high126 Ų12662 Ų6288%0.88138%0.376SS*.THydrogen-bonded Turntrans-56.9137.9-179.6-170.50000111.9R626S624-R626 PolarHBondContact O-N 3.33Å
625G93.2Very high95.3Very high70 Ų7064.7 Ų64.772%0.72239%0.385SS*.THydrogen-bonded Turntrans80.8-19-178.600000115.4
626R96.9Very high95.4Very high39 Ų3969.4 Ų69.415%0.14741%0.409CS..THydrogen-bonded Turntrans-108.2-50.6178.7-171.2-170.268.8-178.73.5112.3D597 H609 V610 V623 S624D597-R626 IonicContact OD1-CZ 3.34Å; D597-R626 IonicContact OD1-NH1 2.83Å; D597-R626 IonicContact OD1-NH2 3.51Å; D597-R626 PolarHBondContact OD1-NH2 3.22Å; H609-R626 CarbonylContact C-O 3.55Å; H609-R626 VanDerWaalsContact CA-O 3.26Å; H609-R626 WeakPolarHBondContact CA-O 3.41Å; H609-R626 PolarHBondContact ND1-O 3.45Å; V610-R626 HydrophobicContact CG2-CG 4.11Å; V610-R626 PolarHBondContact N-O 3.34Å; V623-R626 HydrophobicContact CB-CB 4.44Å; V623-R626 HydrophobicContact CG1-CB 4.17Å; V623-R626 VanDerWaalsContact CG2-NH2 3.29Å; V623-R626 PolarHBondContact O-N 3.28Å; S624-R626 PolarHBondContact O-N 3.33Å
627D98.4Very high95.6Very high22 Ų2267.7 Ų67.712%0.11838%0.383CS..EExtended strand (participates in β ladder)trans-85.7127-170.5-65.8-1000110.8K593 V610 L612 V623K593-D627 WeakPolarHBondContact CE-OD2 3.49Å; K593-D627 IonicContact NZ-OD2 2.6Å; K593-D627 PolarHBondContact NZ-OD2 2.64Å; V610-D627 CarbonylContact O-C 3.47Å; V610-D627 WeakPolarHBondContact O-CA 3.33Å; L612-D627 HydrophobicContact CD1-CB 3.73Å; V623-D627 PolarHBondContact N-OD2 2.86Å; V623-D627 WeakPolarHBondContact O-CB 3.38Å; V623-D627 PolarHBondContact O-N 3.12Å
628V98.1Very high95.6Very high35 Ų3570.1 Ų70.121%0.21240%0.395CS..EExtended strand (participates in β ladder)trans-121.3138.3-178-1760000109.8L521 V610 L611 L612 L633L521-V628 HydrophobicContact CD2-CG1 4.34Å; L521-V628 HydrophobicContact CD2-CG2 3.98Å; V610-V628 PolarHBondContact O-N 3Å; L611-V628 HydrophobicContact CD1-CB 4.19Å; L611-V628 HydrophobicContact CD1-CG1 4.1Å; L612-V628 PolarHBondContact N-O 3.2Å; V628-L633 HydrophobicContact CG1-CB 4.29Å; V628-L633 HydrophobicContact CG1-CD2 4.03Å
629D97.7Very high95.4Very high33 Ų3371.8 Ų71.818%0.17642%0.415CS..EExtended strand (participates in β ladder)trans-81.2125.6179-174.568.5000112.4R622 A631 S632 L633R622-D629 IonicContact CZ-OD1 3.26Å; R622-D629 IonicContact NH1-OD1 3.91Å; R622-D629 IonicContact NH2-OD1 3.84Å; R622-D629 PolarHBondContact NH2-OD1 3.15Å; D629-A631 PolarHBondContact OD2-N 3.1Å; D629-S632 VanDerWaalsContact OD2-CB 3.25Å; D629-S632 WeakPolarHBondContact OD2-CB 3.41Å; D629-S632 PolarHBondContact OD2-N 3.48Å; D629-S632 PolarHBondContact OD2-OG 2.84Å; D629-L633 WeakPolarHBondContact O-CB 3.41Å; D629-L633 PolarHBondContact O-N 3.34Å; D629-L633 VanDerWaalsContact O-N 3.1Å
630F98.4Very high95.6Very high8 Ų862.5 Ų62.54%0.03538%0.379CS..Hα-helixtrans-63.7-48.2-176.6-170.2-74.1000111.6V514 M517 E538 L611 L612 V613 R634V514-F630 HydrophobicContact CG1-CZ 4.48Å; V514-F630 HydrophobicContact CG2-CE1 4.28Å; V514-F630 HydrophobicContact CG2-CE2 4.42Å; V514-F630 HydrophobicContact CG2-CZ 3.61Å; M517-F630 HydrophobicContact CE-CD1 4.14Å; M517-F630 HydrophobicContact CE-CD2 4.05Å; M517-F630 HydrophobicContact CE-CE1 4.21Å; M517-F630 HydrophobicContact CE-CE2 4.11Å; M517-F630 HydrophobicContact CE-CG 4.04Å; M517-F630 HydrophobicContact CE-CZ 4.19Å; M517-F630 WeakPolarHBondContact CE-O 3.04Å; E538-F630 HydrophobicContact CB-CE2 4.42Å; E538-F630 HydrophobicContact CB-CZ 4.21Å; E538-F630 HydrophobicContact CG-CD1 4.33Å; E538-F630 HydrophobicContact CG-CE1 3.87Å; E538-F630 HydrophobicContact CG-CE2 4.48Å; E538-F630 HydrophobicContact CG-CZ 3.95Å; L611-F630 HydrophobicContact CD1-CB 4.23Å; L611-F630 HydrophobicContact CD1-CD2 4.39Å; L611-F630 HydrophobicContact CD2-CD2 3.56Å; L611-F630 HydrophobicContact CD2-CE2 3.94Å; L611-F630 HydrophobicContact CD2-CG 4.48Å; L611-F630 HydrophobicContact CG-CB 4.28Å; L611-F630 HydrophobicContact CG-CD2 3.74Å; L611-F630 HydrophobicContact CG-CG 4.4Å; L612-F630 VanDerWaalsContact O-CB 3.24Å; L612-F630 WeakPolarHBondContact O-CB 3.31Å; L612-F630 PolarHBondContact O-N 2.82Å; V613-F630 HydrophobicContact CG2-CB 3.88Å; V613-F630 HydrophobicContact CG2-CD1 4.41Å; V613-F630 HydrophobicContact CG2-CD2 3.8Å; V613-F630 HydrophobicContact CG2-CE2 4.46Å; V613-F630 HydrophobicContact CG2-CG 3.8Å; F630-R634 HydrophobicContact CD1-CB 4.41Å; F630-R634 HydrophobicContact CE1-CB 4.46Å; F630-R634 WeakPolarHBondContact O-CB 3.44Å; F630-R634 PolarHBondContact O-N 3.1Å
631A97.3Very high95.8Very high64 Ų6468.4 Ų68.453%0.52940%0.4SS..Hα-helixtrans-66.8-44.5-175.600000111.8D629 R634 H635D629-A631 PolarHBondContact OD2-N 3.1Å; A631-R634 PolarHBondContact O-N 2.68Å; A631-H635 PolarHBondContact O-N 2.91Å
632S97.1Very high95.8Very high70 Ų7065.2 Ų65.249%0.4937%0.373SS..Hα-helixtrans-63.5-43178.9-56.50000111.9D629 Q636D629-S632 VanDerWaalsContact OD2-CB 3.25Å; D629-S632 WeakPolarHBondContact OD2-CB 3.41Å; D629-S632 PolarHBondContact OD2-N 3.48Å; D629-S632 PolarHBondContact OD2-OG 2.84Å; S632-Q636 PolarHBondContact O-NE2 2.96Å
633L98.2Very high95.6Very high16 Ų1665.3 Ų65.38%0.08439%0.385CS..Hα-helixtrans-70.4-42.3176.5-171.365.6000110.7M517 L521 L611 V628 D629 H635 Q636 H637M517-L633 HydrophobicContact CB-CD2 3.78Å; M517-L633 HydrophobicContact CB-CG 4.16Å; M517-L633 HydrophobicContact CE-CB 4.21Å; M517-L633 HydrophobicContact CE-CD2 4.21Å; M517-L633 HydrophobicContact CE-CG 4.34Å; M517-L633 HydrophobicContact CG-CD2 4.11Å; M517-L633 HydrophobicContact CG-CG 3.94Å; L521-L633 HydrophobicContact CD1-CD2 3.9Å; L521-L633 HydrophobicContact CD2-CD2 4.1Å; L521-L633 HydrophobicContact CG-CD2 3.95Å; L611-L633 HydrophobicContact CD1-CD2 4.15Å; V628-L633 HydrophobicContact CG1-CB 4.29Å; V628-L633 HydrophobicContact CG1-CD2 4.03Å; D629-L633 WeakPolarHBondContact O-CB 3.41Å; D629-L633 PolarHBondContact O-N 3.34Å; D629-L633 VanDerWaalsContact O-N 3.1Å; L633-H635 VanDerWaalsContact C-N 3.28Å; L633-H635 PolarHBondContact O-N 3.45Å; L633-Q636 WeakPolarHBondContact O-CB 3.38Å; L633-Q636 PolarHBondContact O-N 2.89Å; L633-H637 PolarHBondContact O-CD2 3.37Å; L633-H637 VanDerWaalsContact O-CD2 3.28Å
634R98.1Very high95.4Very high72 Ų7266 Ų6627%0.27239%0.39SS..Hα-helixtrans-54.1-43.6175.3180-177.5165.6-76.9-3.1112.1E510 M517 F630 A631 Q636 H637 I638E510-R634 VanDerWaalsContact CD-NH2 3.32Å; E510-R634 IonicContact OE1-CZ 3.68Å; E510-R634 IonicContact OE1-NE 2.67Å; E510-R634 IonicContact OE1-NH2 2.71Å; E510-R634 PolarHBondContact OE1-NH2 3.46Å; E510-R634 IonicContact OE2-CZ 3.2Å; E510-R634 IonicContact OE2-NE 3.53Å; E510-R634 PolarHBondContact OE2-NE 2.84Å; E510-R634 IonicContact OE2-NH2 2.73Å; E510-R634 PolarHBondContact OE2-NH2 3.31Å; M517-R634 HydrophobicContact CE-CB 4.14Å; M517-R634 WeakPolarHBondContact SD-CA 3.24Å; M517-R634 HydrophobicContact SD-CB 3.67Å; M517-R634 HydrophobicContact SD-CG 4.22Å; F630-R634 HydrophobicContact CD1-CB 4.41Å; F630-R634 HydrophobicContact CE1-CB 4.46Å; F630-R634 WeakPolarHBondContact O-CB 3.44Å; F630-R634 PolarHBondContact O-N 3.1Å; A631-R634 PolarHBondContact O-N 2.68Å; R634-Q636 PolarHBondContact O-N 3.4Å; R634-H637 CarbonylContact O-C 3.6Å; R634-H637 PolarHBondContact O-N 2.9Å; R634-I638 PolarHBondContact O-N 3.38Å
635H97.6Very high95.4Very high141 Ų14161.1 Ų61.165%0.65336%0.357SS*.Hα-helixtrans-57-33.8179.1-169.576.9000112.8A631 L633 H637A631-H635 PolarHBondContact O-N 2.91Å; L633-H635 VanDerWaalsContact C-N 3.28Å; L633-H635 PolarHBondContact O-N 3.45Å; H635-H637 VanDerWaalsContact C-N 3.26Å; H635-H637 PolarHBondContact O-N 3.49Å
636Q98.1Very high95.3Very high144 Ų14466.6 Ų66.667%0.67336%0.356SS*.Hα-helixtrans-73.8-17.6178-58.7169.628.400113.2S632 L633 R634S632-Q636 PolarHBondContact O-NE2 2.96Å; L633-Q636 WeakPolarHBondContact O-CB 3.38Å; L633-Q636 PolarHBondContact O-N 2.89Å; R634-Q636 PolarHBondContact O-N 3.4Å
637H98.1Very high95.1Very high29 Ų2966.6 Ų66.613%0.13436%0.358CS..THydrogen-bonded Turntrans-114.17.7-174.3-70.9-82000113.4A513 S516 M517 S520 L633 R634 H635 G639 A640A513-H637 HydrophobicContact CB-CB 4.48Å; S516-H637 VanDerWaalsContact CB-ND1 3.32Å; S516-H637 WeakPolarHBondContact CB-ND1 3.4Å; S516-H637 PolarHBondContact OG-CE1 3.14Å; S516-H637 PolarHBondContact OG-ND1 3Å; M517-H637 HydrophobicContact CG-CB 4.02Å; S520-H637 PolarHBondContact OG-NE2 3.41Å; S520-H637 VanDerWaalsContact OG-NE2 3.13Å; L633-H637 PolarHBondContact O-CD2 3.37Å; L633-H637 VanDerWaalsContact O-CD2 3.28Å; R634-H637 CarbonylContact O-C 3.6Å; R634-H637 PolarHBondContact O-N 2.9Å; H635-H637 VanDerWaalsContact C-N 3.26Å; H635-H637 PolarHBondContact O-N 3.49Å; H637-G639 PolarHBondContact O-N 2.87Å; H637-A640 WeakPolarHBondContact O-CB 3.08Å; H637-A640 PolarHBondContact O-N 2.98Å; H637-A640 VanDerWaalsContact O-N 3.08Å
638I95Very high94.9Very high101 Ų10171.9 Ų71.952%0.51838%0.383SS..THydrogen-bonded Turntrans-58.8131.6173.8-67.9175.4000109.5R634 A640R634-I638 PolarHBondContact O-N 3.38Å; I638-A640 VanDerWaalsContact C-N 3.26Å; I638-A640 PolarHBondContact O-N 2.74Å
639G88.1Confident94.7Very high64 Ų6473.6 Ų73.666%0.6640%0.396SS*.THydrogen-bonded Turntrans80.9-0.3-178.600000114.7H637H637-G639 PolarHBondContact O-N 2.87Å
640A94.9Very high94.5Very high23 Ų2377.1 Ų77.119%0.1942%0.415CS..  trans-56.4146.9172.700000111.2N512 H637 I638N512-A640 WeakPolarHBondContact CB-O 3.42Å; H637-A640 WeakPolarHBondContact O-CB 3.08Å; H637-A640 PolarHBondContact O-N 2.98Å; H637-A640 VanDerWaalsContact O-N 3.08Å; I638-A640 VanDerWaalsContact C-N 3.26Å; I638-A640 PolarHBondContact O-N 2.74Å
641R91.9Very high94.4Very high150 Ų15079.2 Ų79.257%0.56643%0.425SS*.  trans-126.5106.1173-66.4-64.8-178.5-157.1-1.7108.3H508 D509H508-R641 PolarHBondContact CE1-NH1 2.95Å; H508-R641 VanDerWaalsContact CE1-NH1 3.34Å; H508-R641 PolarHBondContact ND1-NH1 3.02Å; D509-R641 IonicContact OD1-CZ 3.61Å; D509-R641 IonicContact OD1-NH1 3.53Å; D509-R641 PolarHBondContact OD1-NH1 3.35Å; D509-R641 IonicContact OD1-NH2 3.56Å; D509-R641 PolarHBondContact OD1-NH2 3.22Å
642V91.7Very high94.3Very high8 Ų877.4 Ų77.45%0.04841%0.407CS..PPolyproline II helixtrans-100.3120.1-177.5-177.20000108.4N512 A515 R548 I549N512-V642 WeakPolarHBondContact O-CG2 3.44Å; N512-V642 PolarHBondContact OD1-N 2.81Å; N512-V642 PolarHBondContact OD1-O 3.47Å; A515-V642 HydrophobicContact CB-CB 4.07Å; A515-V642 HydrophobicContact CB-CG1 4.13Å; A515-V642 HydrophobicContact CB-CG2 3.99Å; R548-V642 PolarHBondContact NE-O 3.48Å; R548-V642 PolarHBondContact NH2-O 2.8Å; I549-V642 HydrophobicContact CG2-CG1 3.94Å
643P88.7Confident94.2Very high95 Ų9575.1 Ų75.162%0.61739%0.391SS*.PPolyproline II helixtrans-59.1142.5174-24.434.3000111.7
644V92.7Very high94.2Very high77 Ų7774.4 Ų74.447%0.46739%0.388SS..PPolyproline II helixtrans-65.9134.6175179.90000109.3R548R548-V644 HydrophobicContact CG-CG2 4.34Å
645A93.5Very high94.1Very high22 Ų2271 Ų7118%0.18238%0.375CS..PPolyproline II helixtrans-79.2117.9169.100000109.4R548 I549R548-A645 PolarHBondContact O-N 2.9Å; I549-A645 VanDerWaalsContact C-CB 3.47Å; I549-A645 WeakPolarHBondContact O-CB 3.38Å
646W91.6Very high93.9Very high186 Ų18664.4 Ų64.471%0.70534%0.344SS*.PPolyproline II helixtrans-78.8126.6172.8-7092.5000109.9R525R525-W646 PolarHBondContact NH1-O 3.09Å; R525-W646 VanDerWaalsContact NH1-O 3.1Å
647L92.4Very high93.3Very high38 Ų3858.1 Ų58.120%0.19932%0.315CS..  trans-117146.7176.5-56.5-177.4000108.7R525 E651 V672R525-L647 HydrophobicContact CG-CD2 3.99Å; L647-E651 WeakPolarHBondContact CA-OE1 3.23Å; L647-E651 HydrophobicContact CB-CB 4.2Å; L647-E651 WeakPolarHBondContact CB-OE1 3.24Å; L647-V672 HydrophobicContact CB-CG2 4.33Å; L647-V672 HydrophobicContact CD1-CG2 3.65Å
648E94.1Very high92.2Very high134 Ų13457.3 Ų57.363%0.62631%0.312SS*.  trans-61.2147.1163.7-73.3-60.9147.400109.7N650 E651E648-N650 WeakPolarHBondContact CB-OD1 3.23Å; E648-N650 PolarHBondContact O-N 3.47Å; E648-N650 VanDerWaalsContact O-N 3.07Å; E648-E651 HydrophobicContact CB-CG 4.11Å; E648-E651 PolarHBondContact N-OE1 3.38Å; E648-E651 WeakPolarHBondContact O-CB 3.45Å; E648-E651 PolarHBondContact O-N 2.96Å
649S93.4Very high90.6Very high71 Ų7155.2 Ų55.250%0.49731%0.306SS..THydrogen-bonded Turntrans-55.7-32.7-172.361.60000113.9V672 G673S649-V672 PolarHBondContact O-N 3.05Å; S649-G673 PolarHBondContact O-N 2.9Å
650N93.8Very high88.8Confident107 Ų10753.2 Ų53.257%0.57229%0.285SS*.THydrogen-bonded Turntrans-89.80-177.167.5-31.2000114.2E648E648-N650 WeakPolarHBondContact CB-OD1 3.23Å; E648-N650 PolarHBondContact O-N 3.47Å; E648-N650 VanDerWaalsContact O-N 3.07Å
651E95.9Very high86.4Confident52 Ų5256.1 Ų56.124%0.24330%0.301CS..SBendtrans-67.1155.8175.1-73.2-173.9-104.700111.7R525 L647 E648 S653 D671 V672R525-E651 IonicContact CZ-OE1 3.67Å; R525-E651 IonicContact CZ-OE2 2.84Å; R525-E651 IonicContact NE-OE2 3.34Å; R525-E651 PolarHBondContact NE-OE2 2.93Å; R525-E651 IonicContact NH2-OE1 2.65Å; R525-E651 PolarHBondContact NH2-OE1 3.21Å; R525-E651 IonicContact NH2-OE2 3.83Å; R525-E651 PolarHBondContact NH2-OE2 3.48Å; L647-E651 WeakPolarHBondContact CA-OE1 3.23Å; L647-E651 HydrophobicContact CB-CB 4.2Å; L647-E651 WeakPolarHBondContact CB-OE1 3.24Å; E648-E651 HydrophobicContact CB-CG 4.11Å; E648-E651 PolarHBondContact N-OE1 3.38Å; E648-E651 WeakPolarHBondContact O-CB 3.45Å; E648-E651 PolarHBondContact O-N 2.96Å; E651-S653 PolarHBondContact O-N 2.69Å; E651-D671 CarbonylContact O-C 3.6Å; E651-D671 WeakPolarHBondContact O-CA 3.47Å; E651-V672 WeakPolarHBondContact O-CG2 3.13Å; E651-V672 PolarHBondContact O-N 3.03Å
652T96.6Very high84.2Confident26 Ų2654.1 Ų54.116%0.1631%0.305CS..EExtended strand (participates in β ladder)trans-71.8126.3-179.3-59.20000110.9I552 Q669 R670 W864I552-T652 HydrophobicContact CD1-CG2 3.79Å; I552-T652 HydrophobicContact CG1-CG2 4.05Å; I552-T652 HydrophobicContact CG2-CG2 3.8Å; T652-Q669 HydrophobicContact CG2-CG 3.64Å; T652-Q669 VanDerWaalsContact OG1-CD 3.22Å; T652-Q669 WeakPolarHBondContact OG1-CG 3.33Å; T652-Q669 PolarHBondContact OG1-NE2 3.47Å; T652-R670 WeakPolarHBondContact CA-O 3.48Å; T652-W864 HydrophobicContact CG2-CZ3 4.17Å
653S95.2Very high82.6Confident22 Ų2256.8 Ų56.815%0.15433%0.334CS..EExtended strand (participates in β ladder)trans-93.3-42.9174.162.70000112.4E651 R670 D671E651-S653 PolarHBondContact O-N 2.69Å; S653-R670 PolarHBondContact N-O 3.25Å; S653-R670 PolarHBondContact OG-O 3.19Å; S653-D671 WeakPolarHBondContact CB-O 3.22Å; S653-D671 PolarHBondContact OG-O 3.38Å
654C97.2Very high81.7Confident1 Ų158.1 Ų58.11%0.00733%0.331CS..EExtended strand (participates in β ladder)trans-156.5164.9-172.962.60000112.6H553 R670H553-C654 WeakPolarHBondContact NE2-CB 3.49Å; H553-C654 VanDerWaalsContact O-CA 3.29Å; H553-C654 WeakPolarHBondContact O-CA 3.27Å; H553-C654 WeakPolarHBondContact O-CB 3.36Å; C654-R670 PolarHBondContact O-N 2.84Å
655I96.3Very high80.8Confident0 Ų055.3 Ų55.30%031%0.314CS..EExtended strand (participates in β ladder)trans-125.2117.8172.5-56.4159.1000108.5R528 I552 H553 S554 Y657 V668 W864R528-I655 HydrophobicContact CG-CD1 3.93Å; I552-I655 HydrophobicContact CG2-CD1 3.81Å; I552-I655 HydrophobicContact CG2-CG1 3.78Å; H553-I655 PolarHBondContact O-N 2.98Å; H553-I655 VanDerWaalsContact O-N 3.07Å; S554-I655 WeakPolarHBondContact CA-O 3.36Å; S554-I655 WeakPolarHBondContact CB-O 3.5Å; S554-I655 PolarHBondContact OG-O 3.44Å; I655-Y657 HydrophobicContact CG2-CD2 4.42Å; I655-Y657 HydrophobicContact CG2-CE1 4.47Å; I655-Y657 HydrophobicContact CG2-CE2 3.89Å; I655-V668 WeakPolarHBondContact CA-O 2.97Å; I655-W864 HydrophobicContact CD1-CD2 3.38Å; I655-W864 VanDerWaalsContact CD1-CE2 3.5Å; I655-W864 HydrophobicContact CD1-CE3 3.71Å; I655-W864 HydrophobicContact CD1-CG 3.78Å; I655-W864 HydrophobicContact CD1-CH2 4.23Å; I655-W864 HydrophobicContact CD1-CZ2 3.94Å; I655-W864 HydrophobicContact CD1-CZ3 4.12Å; I655-W864 HydrophobicContact CG1-CD2 3.94Å; I655-W864 HydrophobicContact CG1-CE3 3.91Å; I655-W864 HydrophobicContact CG1-CG 4.21Å; I655-W864 HydrophobicContact CG1-CZ3 4.47Å; I655-W864 HydrophobicContact CG2-CB 4.15Å; I655-W864 HydrophobicContact CG2-CG 4.37Å
656L92.7Very high80.4Confident3 Ų356.1 Ų56.12%0.01631%0.313CS..EExtended strand (participates in β ladder)trans-113.5121.3177.8-64.2179.8000110.7V555 V668 V704 H707 T798V555-L656 HydrophobicContact CG1-CD2 3.51Å; L656-V668 PolarHBondContact N-O 2.9Å; L656-V668 WeakPolarHBondContact O-CB 3.21Å; L656-V668 WeakPolarHBondContact O-CG2 3.47Å; L656-V668 PolarHBondContact O-N 3.47Å; L656-V704 HydrophobicContact CD1-CB 4.5Å; L656-V704 HydrophobicContact CD1-CG2 4.34Å; L656-H707 HydrophobicContact CD1-CB 4.22Å; L656-H707 HydrophobicContact CD2-CB 4.5Å; L656-T798 HydrophobicContact CB-CG2 4.11Å
657Y86Confident80.4Confident12 Ų1247.3 Ų47.35%0.04728%0.28CS..EExtended strand (participates in β ladder)trans-85.5128.9-175.5-72.6-82.7000112.2S554 R568 D571 A572 I655 P665 K666S554-Y657 WeakPolarHBondContact OG-CD2 3.47Å; S554-Y657 VanDerWaalsContact OG-CE2 3.25Å; S554-Y657 WeakPolarHBondContact OG-CE2 3.37Å; R568-Y657 HydrophobicContact CB-CD2 4.28Å; R568-Y657 HydrophobicContact CB-CE2 4.08Å; R568-Y657 HydrophobicContact CG-CD1 4.27Å; R568-Y657 HydrophobicContact CG-CD2 3.82Å; R568-Y657 HydrophobicContact CG-CE1 4.49Å; R568-Y657 HydrophobicContact CG-CE2 4.06Å; R568-Y657 HydrophobicContact CG-CG 3.92Å; D571-Y657 HydrophobicContact CB-CE1 4.17Å; D571-Y657 WeakPolarHBondContact CB-OH 3.33Å; D571-Y657 VanDerWaalsContact OD2-CE1 3.23Å; D571-Y657 WeakPolarHBondContact OD2-CE1 3.04Å; D571-Y657 PolarHBondContact OD2-OH 2.81Å; A572-Y657 HydrophobicContact CB-CE2 4.49Å; A572-Y657 WeakPolarHBondContact CB-OH 3.19Å; A572-Y657 PolarHBondContact N-OH 2.95Å; A572-Y657 VanDerWaalsContact N-OH 3.13Å; I655-Y657 HydrophobicContact CG2-CD2 4.42Å; I655-Y657 HydrophobicContact CG2-CE1 4.47Å; I655-Y657 HydrophobicContact CG2-CE2 3.89Å; Y657-P665 HydrophobicContact CD1-CB 3.62Å; Y657-P665 HydrophobicContact CE1-CB 4.24Å; Y657-P665 HydrophobicContact CG-CB 4.44Å; Y657-K666 WeakPolarHBondContact CA-O 3.33Å
658T75.4Confident80.5Confident12 Ų1245.5 Ų45.57%0.07427%0.27CS..EExtended strand (participates in β ladder)trans-84.4158.416861.30000111.6G660 K666 V668 T798T658-G660 PolarHBondContact O-N 3.47Å; T658-G660 VanDerWaalsContact O-N 3.15Å; T658-K666 PolarHBondContact N-O 3.27Å; T658-K666 VanDerWaalsContact N-O 3.09Å; T658-V668 HydrophobicContact CG2-CG2 3.82Å; T658-T798 HydrophobicContact CG2-CG2 3.65Å
659S60.9Low80.7Confident56 Ų5640.8 Ų40.839%0.39225%0.248SC..  trans-64.2113.2175.258.20000110T661S659-T661 PolarHBondContact O-N 3.07Å
660G50Low80.8Confident22 Ų2237.4 Ų37.423%0.22723%0.225CC..  trans-88.396.5169.500000109.6T658 T662T658-G660 PolarHBondContact O-N 3.47Å; T658-G660 VanDerWaalsContact O-N 3.15Å; G660-T662 PolarHBondContact O-N 2.85Å
661T44.9Very low80.9Confident84 Ų8432.9 Ų32.952%0.51520%0.201SC..SBendtrans-68.3-14171.644.10000112.5S659 R1005S659-T661 PolarHBondContact O-N 3.07Å; T661-R1005 PolarHBondContact OG1-NH1 3.09Å
662T45Very low80.9Confident108 Ų10832.7 Ų32.766%0.66320%0.203SC*.SBendtrans-146.9105.7177.356.20000109.8G660G660-T662 PolarHBondContact O-N 2.85Å
663G59.3Low80.8Confident64 Ų6432.4 Ų32.466%0.6621%0.205SC*.SBendtrans91.5-161.5170.400000116.3
664K70Confident80.8Confident124 Ų12431.8 Ų31.854%0.53920%0.202SC..SBendtrans-59128-175.5-165.5179.5179.7-161.70111.1D571 R869D571-K664 WeakPolarHBondContact OD1-CE 3.35Å; D571-K664 IonicContact OD1-NZ 3.93Å; D571-K664 PolarHBondContact OD1-NZ 3.41Å; K664-R869 PolarHBondContact O-NH1 3.37Å; K664-R869 PolarHBondContact O-NH2 2.97Å
665P73.2Confident80.8Confident17 Ų1732.2 Ų32.211%0.1120%0.204CC..  trans-51.1144.6176-27.635.2000112A567 Y657A567-P665 HydrophobicContact CB-CG 4.27Å; Y657-P665 HydrophobicContact CD1-CB 3.62Å; Y657-P665 HydrophobicContact CE1-CB 4.24Å; Y657-P665 HydrophobicContact CG-CB 4.44Å
666K85.3Confident80.8Confident40 Ų4034 Ų3417%0.17422%0.218CC..EExtended strand (participates in β ladder)trans-89.7113.2175.8-50.8176.1-165.11740108.6Y657 T658 V668 I863 Y874Y657-K666 WeakPolarHBondContact CA-O 3.33Å; T658-K666 PolarHBondContact N-O 3.27Å; T658-K666 VanDerWaalsContact N-O 3.09Å; K666-V668 PolarHBondContact O-N 3.24Å; K666-I863 HydrophobicContact CB-CD1 4.43Å; K666-I863 HydrophobicContact CB-CG2 4.26Å; K666-I863 HydrophobicContact CD-CD1 4.2Å; K666-I863 HydrophobicContact CG-CD1 4.29Å; K666-Y874 WeakPolarHBondContact CD-OH 3.25Å; K666-Y874 PolarHBondContact NZ-OH 3.49Å; K666-Y874 VanDerWaalsContact NZ-OH 3.1Å
667G91.7Very high80.9Confident0 Ų037.9 Ų37.90%024%0.242CC..EExtended strand (participates in β ladder)trans-78.6102.2170.800000110.2Q669 I863 W864G667-Q669 PolarHBondContact O-N 3.14Å; G667-Q669 VanDerWaalsContact O-N 3.13Å; G667-I863 CarbonylContact O-C 3.47Å; G667-I863 WeakPolarHBondContact O-CA 3.32Å; G667-W864 WeakPolarHBondContact O-CB 3.22Å; G667-W864 PolarHBondContact O-N 2.7Å
668V94.7Very high81.4Confident0 Ų037.5 Ų37.50%024%0.242CC..EExtended strand (participates in β ladder)trans-69.4109.6175.6174.90000108.4I655 L656 T658 K666 T798 E799 I860I655-V668 WeakPolarHBondContact CA-O 2.97Å; L656-V668 PolarHBondContact N-O 2.9Å; L656-V668 WeakPolarHBondContact O-CB 3.21Å; L656-V668 WeakPolarHBondContact O-CG2 3.47Å; L656-V668 PolarHBondContact O-N 3.47Å; T658-V668 HydrophobicContact CG2-CG2 3.82Å; K666-V668 PolarHBondContact O-N 3.24Å; V668-T798 HydrophobicContact CB-CG2 4.32Å; V668-T798 HydrophobicContact CG2-CG2 3.98Å; V668-E799 HydrophobicContact CG2-CG 4.1Å; V668-I860 HydrophobicContact CB-CD1 4.29Å; V668-I860 HydrophobicContact CG1-CB 3.83Å; V668-I860 HydrophobicContact CG1-CD1 3.96Å; V668-I860 HydrophobicContact CG1-CG1 3.81Å; V668-I860 HydrophobicContact CG2-CD1 4.03Å
669Q96.8Very high82.5Confident35 Ų3537 Ų3716%0.16424%0.239CC..EExtended strand (participates in β ladder)trans-80.3130.6175.3-173.4-179.3-61.400109.6T652 G667 Q861 T862 W864T652-Q669 HydrophobicContact CG2-CG 3.64Å; T652-Q669 VanDerWaalsContact OG1-CD 3.22Å; T652-Q669 WeakPolarHBondContact OG1-CG 3.33Å; T652-Q669 PolarHBondContact OG1-NE2 3.47Å; G667-Q669 PolarHBondContact O-N 3.14Å; G667-Q669 VanDerWaalsContact O-N 3.13Å; Q669-Q861 PolarHBondContact O-N 3.3Å; Q669-T862 HydrophobicContact CB-CG2 4.03Å; Q669-T862 WeakPolarHBondContact CB-O 3.47Å; Q669-T862 HydrophobicContact CG-CG2 4.49Å; Q669-T862 PolarHBondContact N-O 3.18Å; Q669-T862 VanDerWaalsContact N-O 3.09Å; Q669-W864 HydrophobicContact CG-CE3 4.24Å; Q669-W864 VanDerWaalsContact OE1-CE3 3.24Å
670R95.9Very high84Confident0 Ų036.2 Ų36.20%024%0.236CC..EExtended strand (participates in β ladder)trans-124.6143.7-179.8-128.9174.2-84.2-167.4-3.3111.4T652 S653 C654 Y675 V704 T798 G858T652-R670 WeakPolarHBondContact CA-O 3.48Å; S653-R670 PolarHBondContact N-O 3.25Å; S653-R670 PolarHBondContact OG-O 3.19Å; C654-R670 PolarHBondContact O-N 2.84Å; R670-Y675 HydrophobicContact CG-CD1 4.32Å; R670-Y675 HydrophobicContact CG-CD2 4.42Å; R670-Y675 HydrophobicContact CG-CG 4.15Å; R670-Y675 PolarHBondContact NH1-OH 3.43Å; R670-V704 VanDerWaalsContact NH1-CG2 3.35Å; R670-T798 PolarHBondContact NH2-O 2.93Å; R670-G858 WeakPolarHBondContact CD-O 3.28Å; R670-G858 WeakPolarHBondContact CG-O 3.31Å
671D95.8Very high86.1Confident13 Ų1337.6 Ų37.67%0.0724%0.239CC..EExtended strand (participates in β ladder)trans-80.3173.2179.470-34.4000112E651 S653 G674 Y675 Q861E651-D671 CarbonylContact O-C 3.6Å; E651-D671 WeakPolarHBondContact O-CA 3.47Å; S653-D671 WeakPolarHBondContact CB-O 3.22Å; S653-D671 PolarHBondContact OG-O 3.38Å; D671-G674 WeakPolarHBondContact OD2-CA 3.27Å; D671-G674 PolarHBondContact OD2-N 3.43Å; D671-Y675 WeakPolarHBondContact O-CB 3.44Å; D671-Y675 PolarHBondContact OD1-N 3.11Å; D671-Q861 HydrophobicContact CB-CG 4.08Å
672V95.5Very high88.5Confident47 Ų4733.6 Ų33.629%0.28522%0.215SC..SBendtrans-87.4-59.3-180175.10000110.8L647 S649 E651 A676L647-V672 HydrophobicContact CB-CG2 4.33Å; L647-V672 HydrophobicContact CD1-CG2 3.65Å; S649-V672 PolarHBondContact O-N 3.05Å; E651-V672 WeakPolarHBondContact O-CG2 3.13Å; E651-V672 PolarHBondContact O-N 3.03Å; V672-A676 WeakPolarHBondContact O-CB 3.5Å; V672-A676 PolarHBondContact O-N 2.83Å; V672-A676 VanDerWaalsContact O-N 3.14Å
673G95Very high90.8Very high21 Ų2128.4 Ų28.422%0.21618%0.183CC..Hα-helixtrans-73.3-50-169.500000112.1S649 Y675 A676 V677S649-G673 PolarHBondContact O-N 2.9Å; G673-Y675 VanDerWaalsContact C-N 3.32Å; G673-Y675 PolarHBondContact O-N 3.47Å; G673-A676 PolarHBondContact O-N 3.39Å; G673-V677 WeakPolarHBondContact O-CG2 3.39Å; G673-V677 PolarHBondContact O-N 2.83Å
674G95.6Very high92.2Very high9 Ų929.1 Ų29.19%0.09317%0.172CC..Hα-helixtrans-62.7-40.9-178.600000112.3D671 V677 A678 P857 G858D671-G674 WeakPolarHBondContact OD2-CA 3.27Å; D671-G674 PolarHBondContact OD2-N 3.43Å; G674-V677 PolarHBondContact O-N 3.25Å; G674-A678 WeakPolarHBondContact O-CB 3.27Å; G674-A678 PolarHBondContact O-N 3.23Å; G674-P857 WeakPolarHBondContact O-CB 3.12Å; G674-G858 PolarHBondContact O-N 2.96Å
675Y96.6Very high93.1Very high9 Ų924 Ų244%0.03515%0.151CC..Hα-helixtrans-65.6-43.3175.9-170.9-144000113.4R670 D671 G673 V677 A678 L679 H707 S708R670-Y675 HydrophobicContact CG-CD1 4.32Å; R670-Y675 HydrophobicContact CG-CD2 4.42Å; R670-Y675 HydrophobicContact CG-CG 4.15Å; R670-Y675 PolarHBondContact NH1-OH 3.43Å; D671-Y675 WeakPolarHBondContact O-CB 3.44Å; D671-Y675 PolarHBondContact OD1-N 3.11Å; G673-Y675 VanDerWaalsContact C-N 3.32Å; G673-Y675 PolarHBondContact O-N 3.47Å; Y675-V677 VanDerWaalsContact C-N 3.33Å; Y675-V677 PolarHBondContact O-N 3.02Å; Y675-A678 PolarHBondContact O-N 3.11Å; Y675-L679 HydrophobicContact CD2-CD1 4.24Å; Y675-L679 HydrophobicContact CD2-CD2 4.28Å; Y675-L679 HydrophobicContact CD2-CG 3.93Å; Y675-L679 HydrophobicContact CE1-CD1 4.1Å; Y675-L679 HydrophobicContact CE2-CD1 3.77Å; Y675-L679 HydrophobicContact CE2-CD2 3.63Å; Y675-L679 HydrophobicContact CE2-CG 3.65Å; Y675-L679 WeakPolarHBondContact O-CG 3.46Å; Y675-L679 PolarHBondContact O-N 2.82Å; Y675-H707 AromaticContact CE1-CE1 3.73Å; Y675-H707 PolarHBondContact OH-ND1 3.37Å; Y675-H707 VanDerWaalsContact OH-ND1 3.13Å; Y675-S708 PolarHBondContact OH-OG 3.29Å
676A96.4Very high94.1Very high37 Ų3723.3 Ų23.331%0.30615%0.146SC..Hα-helixtrans-60.9-41.9175.600000112.2V672 G673 L679 A680 L716V672-A676 WeakPolarHBondContact O-CB 3.5Å; V672-A676 PolarHBondContact O-N 2.83Å; V672-A676 VanDerWaalsContact O-N 3.14Å; G673-A676 PolarHBondContact O-N 3.39Å; A676-L679 PolarHBondContact O-N 2.74Å; A676-A680 WeakPolarHBondContact O-CB 3.19Å; A676-A680 PolarHBondContact O-N 3.15Å; A676-L716 HydrophobicContact CB-CD1 4.36Å
677V95.8Very high94.4Very high85 Ų8521.4 Ų21.452%0.51514%0.138SC..Hα-helixtrans-61.9-46.7175.61700000111G673 G674 Y675 L679 A680 T681G673-V677 WeakPolarHBondContact O-CG2 3.39Å; G673-V677 PolarHBondContact O-N 2.83Å; G674-V677 PolarHBondContact O-N 3.25Å; Y675-V677 VanDerWaalsContact C-N 3.33Å; Y675-V677 PolarHBondContact O-N 3.02Å; V677-L679 PolarHBondContact O-N 3.33Å; V677-A680 PolarHBondContact O-N 3.27Å; V677-T681 WeakPolarHBondContact O-CB 3.32Å; V677-T681 PolarHBondContact O-N 3.44Å; V677-T681 PolarHBondContact O-OG1 3.23Å
678A96.7Very high94.1Very high5 Ų522.1 Ų22.14%0.04115%0.146CC..Hα-helixtrans-60.1-47.2179.200000112.2G674 Y675 T681 S682 W802 P857G674-A678 WeakPolarHBondContact O-CB 3.27Å; G674-A678 PolarHBondContact O-N 3.23Å; Y675-A678 PolarHBondContact O-N 3.11Å; A678-T681 PolarHBondContact O-N 3.13Å; A678-S682 WeakPolarHBondContact O-CB 3.23Å; A678-S682 PolarHBondContact O-N 2.86Å; A678-S682 PolarHBondContact O-OG 2.92Å; A678-W802 HydrophobicContact CB-CD2 4.18Å; A678-W802 HydrophobicContact CB-CG 4.01Å; A678-P857 WeakPolarHBondContact CB-O 3.15Å
679L97.1Very high93.6Very high1 Ų122.3 Ų22.31%0.00515%0.148CC..Hα-helixtrans-64-48.7179.3-67.9-171.7000112Y675 A676 V677 T681 S682 M683 Y712 A713 L716Y675-L679 HydrophobicContact CD2-CD1 4.24Å; Y675-L679 HydrophobicContact CD2-CD2 4.28Å; Y675-L679 HydrophobicContact CD2-CG 3.93Å; Y675-L679 HydrophobicContact CE1-CD1 4.1Å; Y675-L679 HydrophobicContact CE2-CD1 3.77Å; Y675-L679 HydrophobicContact CE2-CD2 3.63Å; Y675-L679 HydrophobicContact CE2-CG 3.65Å; Y675-L679 WeakPolarHBondContact O-CG 3.46Å; Y675-L679 PolarHBondContact O-N 2.82Å; A676-L679 PolarHBondContact O-N 2.74Å; V677-L679 PolarHBondContact O-N 3.33Å; L679-T681 VanDerWaalsContact C-N 3.34Å; L679-T681 PolarHBondContact O-N 3.13Å; L679-S682 PolarHBondContact O-N 2.67Å; L679-S682 PolarHBondContact O-OG 3.47Å; L679-M683 WeakPolarHBondContact O-CG 3.04Å; L679-M683 PolarHBondContact O-N 2.73Å; L679-Y712 HydrophobicContact CD1-CG 4.5Å; L679-A713 HydrophobicContact CB-CB 3.85Å; L679-A713 HydrophobicContact CD1-CB 4.29Å; L679-A713 HydrophobicContact CD2-CB 4.21Å; L679-A713 HydrophobicContact CG-CB 4.34Å; L679-L716 HydrophobicContact CB-CD1 4.06Å; L679-L716 HydrophobicContact CD1-CD1 4.39Å
680A93.7Very high92.7Very high40 Ų4026.7 Ų26.733%0.33117%0.166SC..Hα-helixtrans-60.3-43.5178.700000111.9A676 V677 M683 D684A676-A680 WeakPolarHBondContact O-CB 3.19Å; A676-A680 PolarHBondContact O-N 3.15Å; V677-A680 PolarHBondContact O-N 3.27Å; A680-M683 PolarHBondContact O-N 2.73Å; A680-D684 PolarHBondContact O-N 2.98Å
681T93.2Very high91.9Very high50 Ų5029.5 Ų29.531%0.30719%0.189SC..Hα-helixtrans-65-47.2177.9-49.90000110.7V677 A678 L679 M683 D684 T685 Y826V677-T681 WeakPolarHBondContact O-CB 3.32Å; V677-T681 PolarHBondContact O-N 3.44Å; V677-T681 PolarHBondContact O-OG1 3.23Å; A678-T681 PolarHBondContact O-N 3.13Å; L679-T681 VanDerWaalsContact C-N 3.34Å; L679-T681 PolarHBondContact O-N 3.13Å; T681-M683 VanDerWaalsContact C-N 3.26Å; T681-M683 PolarHBondContact O-N 2.73Å; T681-D684 PolarHBondContact O-N 2.94Å; T681-D684 VanDerWaalsContact O-N 3.09Å; T681-T685 HydrophobicContact CG2-CG2 4.29Å; T681-T685 PolarHBondContact O-N 3.11Å; T681-T685 PolarHBondContact O-OG1 2.9Å; T681-Y826 HydrophobicContact CG2-CD2 4.49Å; T681-Y826 HydrophobicContact CG2-CE2 3.58Å
682S95.2Very high90.7Very high0 Ų030 Ų300%020%0.198CC..Hα-helixtrans-59.4-37-179.772.90000112.6A678 L679 I686 F687 Y709 Y826A678-S682 WeakPolarHBondContact O-CB 3.23Å; A678-S682 PolarHBondContact O-N 2.86Å; A678-S682 PolarHBondContact O-OG 2.92Å; L679-S682 PolarHBondContact O-N 2.67Å; L679-S682 PolarHBondContact O-OG 3.47Å; S682-I686 WeakPolarHBondContact O-CA 3.32Å; S682-I686 VanDerWaalsContact O-CB 3.31Å; S682-I686 WeakPolarHBondContact O-CB 3.39Å; S682-I686 PolarHBondContact O-N 2.96Å; S682-F687 VanDerWaalsContact O-CD2 3.27Å; S682-F687 WeakPolarHBondContact O-CD2 3.47Å; S682-F687 PolarHBondContact O-N 3.28Å; S682-Y709 WeakPolarHBondContact CB-OH 3.45Å; S682-Y709 PolarHBondContact OG-OH 3.34Å; S682-Y826 WeakPolarHBondContact CA-OH 3.21Å; S682-Y826 PolarHBondContact N-OH 3.01Å
683M93.6Very high90.2Very high0 Ų028.7 Ų28.70%019%0.194CC..Hα-helixtrans-62.9-44.8175.8-74.4-62.1-56.800111.8L679 A680 T681 F687 G688 G689 F695 Y709 A713 A717 M719L679-M683 WeakPolarHBondContact O-CG 3.04Å; L679-M683 PolarHBondContact O-N 2.73Å; A680-M683 PolarHBondContact O-N 2.73Å; T681-M683 VanDerWaalsContact C-N 3.26Å; T681-M683 PolarHBondContact O-N 2.73Å; M683-F687 CarbonylContact O-C 3.58Å; M683-F687 HydrophobicContact SD-CB 4.41Å; M683-F687 HydrophobicContact SD-CD2 4.11Å; M683-G688 PolarHBondContact O-N 3.02Å; M683-G689 PolarHBondContact O-N 3Å; M683-F695 HydrophobicContact CE-CD2 3.61Å; M683-F695 HydrophobicContact CE-CE2 3.94Å; M683-F695 HydrophobicContact CE-CG 4.15Å; M683-F695 HydrophobicContact SD-CD2 4.37Å; M683-F695 HydrophobicContact SD-CE2 4.2Å; M683-F695 HydrophobicContact SD-CZ 4.48Å; M683-Y709 HydrophobicContact SD-CD1 3.99Å; M683-Y709 HydrophobicContact SD-CE1 4.13Å; M683-A713 HydrophobicContact CG-CB 3.62Å; M683-A713 WeakPolarHBondContact CG-O 3.33Å; M683-A713 HydrophobicContact SD-CB 3.91Å; M683-A717 HydrophobicContact CB-CB 3.73Å; M683-A717 HydrophobicContact CE-CB 4.3Å; M683-A717 HydrophobicContact CG-CB 4.04Å; M683-M719 HydrophobicContact CE-CE 4.49Å; M683-M719 HydrophobicContact CE-SD 3.33Å; M683-M719 WeakPolarHBondContact CE-SD 3.04Å
684D88.2Confident90Very high79 Ų7928.4 Ų28.442%0.42219%0.188SC..Hα-helixtrans-70.1-49.3-178.8-172.234.8000112.1A680 T681 G688 K690A680-D684 PolarHBondContact O-N 2.98Å; T681-D684 PolarHBondContact O-N 2.94Å; T681-D684 VanDerWaalsContact O-N 3.09Å; D684-G688 WeakPolarHBondContact O-CA 3.44Å; D684-K690 IonicContact OD1-NZ 2.9Å; D684-K690 PolarHBondContact OD1-NZ 3.26Å
685T89.7Confident90Very high17 Ų1728 Ų2810%0.10418%0.183CC..Hα-helixtrans-93.1-39-167.257.60000114T681 A808 L811 Y826T681-T685 HydrophobicContact CG2-CG2 4.29Å; T681-T685 PolarHBondContact O-N 3.11Å; T681-T685 PolarHBondContact O-OG1 2.9Å; T685-A808 WeakPolarHBondContact O-CB 3.21Å; T685-L811 HydrophobicContact CG2-CD1 3.81Å; T685-L811 HydrophobicContact CG2-CD2 4.38Å; T685-L811 HydrophobicContact CG2-CG 4.19Å; T685-Y826 VanDerWaalsContact OG1-CE1 3.31Å; T685-Y826 WeakPolarHBondContact OG1-CE1 3.43Å; T685-Y826 PolarHBondContact OG1-OH 3.2Å
686I92.8Very high89.9Confident1 Ų127.5 Ų27.51%0.00518%0.182CC..THydrogen-bonded Turntrans-89.2-52.1-177.2-54.9-179.2000109.9S682 Y769 W802 P803 A806 A808 M825 Y826S682-I686 WeakPolarHBondContact O-CA 3.32Å; S682-I686 VanDerWaalsContact O-CB 3.31Å; S682-I686 WeakPolarHBondContact O-CB 3.39Å; S682-I686 PolarHBondContact O-N 2.96Å; I686-Y769 WeakPolarHBondContact O-CE1 3.47Å; I686-Y769 PolarHBondContact O-OH 2.89Å; I686-W802 HydrophobicContact CD1-CE3 4.35Å; I686-W802 HydrophobicContact CD1-CZ3 4.37Å; I686-P803 HydrophobicContact CD1-CB 3.85Å; I686-P803 HydrophobicContact CD1-CG 4.16Å; I686-A806 HydrophobicContact CG2-CB 3.75Å; I686-A808 HydrophobicContact CG1-CB 4.34Å; I686-M825 HydrophobicContact CD1-CG 3.72Å; I686-M825 HydrophobicContact CD1-SD 3.6Å; I686-M825 HydrophobicContact CG1-SD 3.76Å; I686-Y826 HydrophobicContact CG1-CE1 4.36Å
687F92Very high89.9Confident0 Ų025.9 Ų25.90%017%0.168CC..SBendtrans-89.5-9.9-175.1-58.8-68.9000113.7S682 M683 G689 F695 Y709 R747 F749 Y769 P803S682-F687 VanDerWaalsContact O-CD2 3.27Å; S682-F687 WeakPolarHBondContact O-CD2 3.47Å; S682-F687 PolarHBondContact O-N 3.28Å; M683-F687 CarbonylContact O-C 3.58Å; M683-F687 HydrophobicContact SD-CB 4.41Å; M683-F687 HydrophobicContact SD-CD2 4.11Å; F687-G689 PolarHBondContact O-N 3.05Å; F687-F695 HydrophobicContact CB-CE2 4.08Å; F687-F695 HydrophobicContact CD1-CE2 4.44Å; F687-F695 HydrophobicContact CD1-CZ 4.35Å; F687-F695 HydrophobicContact CG-CE2 4.26Å; F687-F695 HydrophobicContact CG-CZ 4.4Å; F687-Y709 HydrophobicContact CD2-CD1 4.44Å; F687-Y709 AromaticContact CD2-CE1 3.85Å; F687-Y709 HydrophobicContact CD2-CE1 3.85Å; F687-Y709 HydrophobicContact CE2-CD1 4.1Å; F687-Y709 AromaticContact CE2-CE1 3.35Å; F687-Y709 HydrophobicContact CE2-CE1 3.35Å; F687-Y709 HydrophobicContact CE2-CE2 4.14Å; F687-Y709 AromaticContact CE2-CZ 3.41Å; F687-Y709 VanDerWaalsContact CE2-CZ 3.41Å; F687-Y709 WeakPolarHBondContact CE2-OH 3.44Å; F687-Y709 HydrophobicContact CZ-CE1 4.16Å; F687-Y709 HydrophobicContact CZ-CE2 4.27Å; F687-Y709 AromaticContact CZ-CZ 3.98Å; F687-R747 WeakPolarHBondContact O-CD 3.23Å; F687-R747 PolarHBondContact O-NE 3.39Å; F687-F749 HydrophobicContact CD1-CD2 4.48Å; F687-F749 AromaticContact CE1-CD2 3.65Å; F687-F749 HydrophobicContact CE1-CD2 3.65Å; F687-F749 AromaticContact CE1-CE2 3.75Å; F687-F749 HydrophobicContact CE1-CE2 3.75Å; F687-F749 HydrophobicContact CZ-CD2 4.03Å; F687-F749 AromaticContact CZ-CE2 3.8Å; F687-F749 HydrophobicContact CZ-CE2 3.8Å; F687-Y769 WeakPolarHBondContact CA-OH 3.46Å; F687-Y769 HydrophobicContact CB-CE2 4.43Å; F687-Y769 AromaticContact CD1-CD1 3.43Å; F687-Y769 HydrophobicContact CD1-CD1 3.43Å; F687-Y769 VanDerWaalsContact CD1-CD1 3.43Å; F687-Y769 AromaticContact CD1-CD2 3.77Å; F687-Y769 HydrophobicContact CD1-CD2 3.77Å; F687-Y769 AromaticContact CD1-CE1 3.63Å; F687-Y769 HydrophobicContact CD1-CE1 3.63Å; F687-Y769 AromaticContact CD1-CE2 3.98Å; F687-Y769 HydrophobicContact CD1-CE2 3.98Å; F687-Y769 AromaticContact CD1-CG 3.5Å; F687-Y769 HydrophobicContact CD1-CG 3.5Å; F687-Y769 AromaticContact CD1-CZ 3.93Å; F687-Y769 AromaticContact CE1-CD1 3.64Å; F687-Y769 HydrophobicContact CE1-CD1 3.64Å; F687-Y769 HydrophobicContact CE1-CD2 4.39Å; F687-Y769 HydrophobicContact CE1-CE1 4.25Å; F687-Y769 AromaticContact CE1-CG 3.73Å; F687-Y769 HydrophobicContact CE1-CG 3.73Å; F687-Y769 HydrophobicContact CG-CE1 4.5Å; F687-Y769 PolarHBondContact O-OH 3.39Å; F687-P803 HydrophobicContact CE2-CG 4.22Å; F687-P803 HydrophobicContact CZ-CG 3.87Å
688G85Confident89.6Confident16 Ų1622.5 Ų22.517%0.16515%0.149CC..  trans56.932.5-179.200000113M683 D684 R747M683-G688 PolarHBondContact O-N 3.02Å; D684-G688 WeakPolarHBondContact O-CA 3.44Å; G688-R747 PolarHBondContact O-NE 2.79Å; G688-R747 PolarHBondContact O-NH2 3.14Å
689G84.7Confident89.2Confident4 Ų424 Ų244%0.04116%0.159CC..  trans-75.1138.9178.400000111.4M683 F687 M719M683-G689 PolarHBondContact O-N 3Å; F687-G689 PolarHBondContact O-N 3.05Å; G689-M719 WeakPolarHBondContact CA-SD 3.37Å
690K78.7Confident88.8Confident126 Ų12624.8 Ų24.855%0.54816%0.163SC..  trans-133.4143.5-178.5-60.2-64.1175.7-169.60109.9D684 G692 G693 M719D684-K690 IonicContact OD1-NZ 2.9Å; D684-K690 PolarHBondContact OD1-NZ 3.26Å; K690-G692 PolarHBondContact O-N 3.2Å; K690-G693 PolarHBondContact O-N 2.95Å; K690-M719 WeakPolarHBondContact O-CG 3.24Å
691A78.3Confident88.6Confident59 Ų5923 Ų2349%0.48815%0.148SC..THydrogen-bonded Turntrans-51.8138.3179.500000111.7G693 A717 G718A691-G693 VanDerWaalsContact C-N 3.28Å; A691-G693 PolarHBondContact O-N 3.43Å; A691-A717 WeakPolarHBondContact CA-O 3.3Å; A691-A717 PolarHBondContact N-O 2.98Å; A691-G718 WeakPolarHBondContact CA-O 3.34Å
692G71.8Confident88.3Confident25 Ų2521 Ų2126%0.25814%0.138SC..THydrogen-bonded Turntrans83.7-10.4-17400000115.2K690 G718K690-G692 PolarHBondContact O-N 3.2Å; G692-G718 PolarHBondContact N-O 3.23Å
693G83.4Confident87.9Confident18 Ų1822.7 Ų22.719%0.18614%0.144CC..  trans-75.2170.1170.300000113K690 A691 M719 A720K690-G693 PolarHBondContact O-N 2.95Å; A691-G693 VanDerWaalsContact C-N 3.28Å; A691-G693 PolarHBondContact O-N 3.43Å; G693-M719 CarbonylContact O-C 3.58Å; G693-M719 VanDerWaalsContact O-CA 3.28Å; G693-M719 WeakPolarHBondContact O-CA 3.34Å; G693-M719 WeakPolarHBondContact O-CB 3.43Å; G693-A720 PolarHBondContact O-N 2.91Å
694V90.7Very high87.7Confident15 Ų1523.3 Ų23.39%0.09115%0.148CC..EExtended strand (participates in β ladder)trans-118.3123.8177.7-174.90000109.5I490 A720 I722 Y743 V745 S746 R747I490-V694 HydrophobicContact CD1-CG1 4.09Å; V694-A720 WeakPolarHBondContact CA-O 3.45Å; V694-A720 HydrophobicContact CB-CB 4.4Å; V694-A720 HydrophobicContact CG1-CB 4.24Å; V694-A720 HydrophobicContact CG2-CB 4Å; V694-I722 HydrophobicContact CG1-CD1 3.68Å; V694-I722 HydrophobicContact CG1-CG1 4.07Å; V694-Y743 WeakPolarHBondContact CG2-O 3.04Å; V694-V745 HydrophobicContact CG1-CG2 4.01Å; V694-S746 PolarHBondContact O-N 3.08Å; V694-S746 PolarHBondContact O-OG 3.09Å; V694-R747 PolarHBondContact O-N 3.32Å
695F95.6Very high87.9Confident0 Ų020.8 Ų20.80%014%0.135CC..EExtended strand (participates in β ladder)trans-105.6124.2178.3-162-92.1000110M683 F687 C697 Y709 P714 M719 A720 I722 R747 F749M683-F695 HydrophobicContact CE-CD2 3.61Å; M683-F695 HydrophobicContact CE-CE2 3.94Å; M683-F695 HydrophobicContact CE-CG 4.15Å; M683-F695 HydrophobicContact SD-CD2 4.37Å; M683-F695 HydrophobicContact SD-CE2 4.2Å; M683-F695 HydrophobicContact SD-CZ 4.48Å; F687-F695 HydrophobicContact CB-CE2 4.08Å; F687-F695 HydrophobicContact CD1-CE2 4.44Å; F687-F695 HydrophobicContact CD1-CZ 4.35Å; F687-F695 HydrophobicContact CG-CE2 4.26Å; F687-F695 HydrophobicContact CG-CZ 4.4Å; F695-C697 HydrophobicContact CD1-CB 4.16Å; F695-C697 HydrophobicContact CE1-CB 3.87Å; F695-Y709 WeakPolarHBondContact CD1-O 3.27Å; F695-P714 HydrophobicContact CB-CB 3.9Å; F695-P714 HydrophobicContact CB-CG 3.9Å; F695-P714 HydrophobicContact CD1-CG 3.78Å; F695-P714 HydrophobicContact CG-CB 4.45Å; F695-P714 HydrophobicContact CG-CG 3.99Å; F695-M719 HydrophobicContact CB-CE 3.94Å; F695-M719 HydrophobicContact CB-SD 4.5Å; F695-M719 HydrophobicContact CD2-CE 4.25Å; F695-A720 PolarHBondContact N-O 3.44Å; F695-I722 PolarHBondContact O-N 3.34Å; F695-R747 HydrophobicContact CD2-CB 3.43Å; F695-R747 VanDerWaalsContact CD2-CB 3.43Å; F695-R747 HydrophobicContact CD2-CG 4.19Å; F695-R747 HydrophobicContact CE2-CB 3.62Å; F695-R747 HydrophobicContact CE2-CG 4.43Å; F695-R747 HydrophobicContact CG-CB 4.43Å; F695-F749 HydrophobicContact CE1-CB 3.97Å; F695-F749 HydrophobicContact CZ-CB 3.97Å; F695-F749 HydrophobicContact CZ-CD2 4.49Å
696F95.9Very high88Confident0 Ų020 Ų200%013%0.13CC..EExtended strand (participates in β ladder)trans-112.7104.4176-174.6-159000110.8A698 I722 Y724 W736 I739 V740 V745 R747 M748 F749F696-A698 HydrophobicContact CE2-CB 4.26Å; F696-A698 HydrophobicContact CZ-CB 4.25Å; F696-I722 HydrophobicContact CB-CB 4.47Å; F696-I722 HydrophobicContact CB-CD1 4.04Å; F696-I722 HydrophobicContact CD2-CB 3.7Å; F696-I722 HydrophobicContact CD2-CD1 4.45Å; F696-I722 HydrophobicContact CD2-CG2 3.63Å; F696-I722 HydrophobicContact CE2-CB 4.31Å; F696-I722 HydrophobicContact CE2-CG2 3.72Å; F696-I722 HydrophobicContact CG-CB 4.27Å; F696-I722 HydrophobicContact CG-CD1 4.19Å; F696-I722 HydrophobicContact CG-CG2 4.39Å; F696-Y724 HydrophobicContact CZ-CG 4.42Å; F696-W736 HydrophobicContact CE1-CB 4.07Å; F696-W736 HydrophobicContact CE1-CD2 4.46Å; F696-W736 HydrophobicContact CE1-CG 4.01Å; F696-W736 HydrophobicContact CZ-CD2 4.44Å; F696-W736 HydrophobicContact CZ-CG 4.16Å; F696-I739 HydrophobicContact CD1-CG2 4.38Å; F696-I739 HydrophobicContact CE1-CG2 4.21Å; F696-V740 HydrophobicContact CD1-CG2 4.18Å; F696-V745 HydrophobicContact CB-CG1 3.69Å; F696-V745 HydrophobicContact CB-CG2 4.06Å; F696-R747 PolarHBondContact N-O 3.49Å; F696-M748 HydrophobicContact CB-CG 4.48Å; F696-M748 HydrophobicContact CD1-CE 3.98Å; F696-M748 HydrophobicContact CD1-CG 4.33Å; F696-M748 HydrophobicContact CD1-SD 4.25Å; F696-M748 HydrophobicContact CE1-CE 3.93Å; F696-M748 CarbonylContact O-C 3.49Å; F696-M748 VanDerWaalsContact O-CA 3.27Å; F696-M748 WeakPolarHBondContact O-CA 3.35Å; F696-F749 PolarHBondContact O-N 3.33Å
697C95.1Very high88.1Confident2 Ų220 Ų201%0.01413%0.13CC..EExtended strand (participates in β ladder)trans-101.7111.1172.1-178.90000110.1F695 S699 Y709 I710 F749F695-C697 HydrophobicContact CD1-CB 4.16Å; F695-C697 HydrophobicContact CE1-CB 3.87Å; C697-S699 PolarHBondContact O-N 2.67Å; C697-Y709 VanDerWaalsContact CB-O 3.28Å; C697-Y709 WeakPolarHBondContact CB-O 3.41Å; C697-I710 HydrophobicContact CB-CG1 3.57Å; C697-I710 WeakPolarHBondContact O-CD1 3.39Å; C697-I710 VanDerWaalsContact O-CG1 3.29Å; C697-I710 WeakPolarHBondContact O-CG1 3.36Å; C697-F749 CarbonylContact C-O 3.49Å; C697-F749 WeakPolarHBondContact CA-O 3.34Å; C697-F749 HydrophobicContact CB-CB 4.11Å
698A89.5Confident88.3Confident15 Ų1520 Ų2012%0.12413%0.13CC..  trans-90.281.8-17800000110.7F696 W736 M748 F749F696-A698 HydrophobicContact CE2-CB 4.26Å; F696-A698 HydrophobicContact CZ-CB 4.25Å; A698-W736 HydrophobicContact CB-CD2 4.42Å; A698-W736 HydrophobicContact CB-CE3 4.18Å; A698-W736 HydrophobicContact CB-CH2 3.46Å; A698-W736 VanDerWaalsContact CB-CH2 3.46Å; A698-W736 HydrophobicContact CB-CZ2 3.72Å; A698-W736 HydrophobicContact CB-CZ3 3.71Å; A698-M748 HydrophobicContact CB-CE 4.45Å; A698-F749 PolarHBondContact N-O 3.2Å
699S89.1Confident88.8Confident36 Ų3619.2 Ų19.225%0.25212%0.123SC..SBendtrans-152-178.7176.5-174.80000110.8M535 C697 V705 I710M535-S699 WeakPolarHBondContact CE-O 3.37Å; C697-S699 PolarHBondContact O-N 2.67Å; S699-V705 WeakPolarHBondContact OG-CG1 3.16Å; S699-I710 WeakPolarHBondContact O-CD1 3.35Å
700D88.3Confident89.4Confident18 Ų1819 Ų1910%0.09612%0.121CC..  trans-94.9140.6171.5-171.5-77.2000111.6M535 F557 G702 W703 G706M535-D700 HydrophobicContact SD-CB 4.41Å; F557-D700 HydrophobicContact CD2-CB 3.79Å; F557-D700 VanDerWaalsContact CD2-OD1 3.31Å; F557-D700 WeakPolarHBondContact CD2-OD1 3.48Å; F557-D700 HydrophobicContact CE2-CB 3.62Å; F557-D700 VanDerWaalsContact CE2-CG 3.44Å; F557-D700 WeakPolarHBondContact CE2-OD2 3.48Å; D700-G702 PolarHBondContact O-N 2.85Å; D700-G702 WeakPolarHBondContact OD1-CA 3.29Å; D700-G702 PolarHBondContact OD1-N 3.22Å; D700-W703 PolarHBondContact O-N 2.61Å; D700-W703 VanDerWaalsContact O-N 3.14Å; D700-G706 WeakPolarHBondContact O-CA 3.27Å
701I90.8Very high90.3Very high1 Ų113 Ų131%0.00510%0.095CC..THydrogen-bonded Turntrans-63.8-21.6179.559.4171.7000113.9M535 A539 V555 W703 H707 I710 V711M535-I701 HydrophobicContact CE-CG2 4.04Å; M535-I701 HydrophobicContact SD-CB 4.26Å; M535-I701 HydrophobicContact SD-CG1 3.88Å; M535-I701 HydrophobicContact SD-CG2 3.91Å; M535-I701 PolarHBondContact SD-N 2.9Å; A539-I701 HydrophobicContact CB-CD1 3.49Å; A539-I701 VanDerWaalsContact CB-CD1 3.49Å; V555-I701 WeakPolarHBondContact CG1-O 3.18Å; V555-I701 HydrophobicContact CG2-CB 4.37Å; V555-I701 HydrophobicContact CG2-CD1 3.94Å; V555-I701 HydrophobicContact CG2-CG1 3.83Å; I701-W703 PolarHBondContact O-N 3.12Å; I701-H707 PolarHBondContact O-N 3.15Å; I701-I710 HydrophobicContact CG2-CB 4.43Å; I701-I710 HydrophobicContact CG2-CD1 4.36Å; I701-V711 HydrophobicContact CG2-CG2 3.98Å
702G86.8Confident91.3Very high9 Ų911.7 Ų11.79%0.0938%0.077CC..THydrogen-bonded Turntrans-67.8-14.3174.700000114D700D700-G702 PolarHBondContact O-N 2.85Å; D700-G702 WeakPolarHBondContact OD1-CA 3.29Å; D700-G702 PolarHBondContact OD1-N 3.22Å
703W85.4Confident92.5Very high35 Ų3510.5 Ų10.513%0.1337%0.065CC..SBendtrans-99.6154.8171.6-58114.5000111F557 F560 D700 I701 V705 G706 H707F557-W703 HydrophobicContact CB-CZ2 4.24Å; F557-W703 HydrophobicContact CD1-CZ2 4.12Å; F557-W703 AromaticContact CD2-CD1 3.96Å; F557-W703 AromaticContact CD2-CE2 3.84Å; F557-W703 HydrophobicContact CD2-CZ2 4.22Å; F557-W703 AromaticContact CD2-NE1 3.24Å; F557-W703 AromaticContact CE2-NE1 3.53Å; F557-W703 AromaticContact CG-CE2 3.97Å; F557-W703 AromaticContact CG-CZ2 3.91Å; F557-W703 HydrophobicContact CG-CZ2 3.91Å; F557-W703 AromaticContact CG-NE1 3.84Å; F560-W703 HydrophobicContact CE1-CH2 4.27Å; F560-W703 HydrophobicContact CE1-CZ2 4.44Å; F560-W703 HydrophobicContact CZ-CH2 4.04Å; F560-W703 HydrophobicContact CZ-CZ2 4.46Å; D700-W703 PolarHBondContact O-N 2.61Å; D700-W703 VanDerWaalsContact O-N 3.14Å; I701-W703 PolarHBondContact O-N 3.12Å; W703-V705 HydrophobicContact CB-CG1 3.89Å; W703-V705 PolarHBondContact O-N 3.22Å; W703-V705 VanDerWaalsContact O-N 3.12Å; W703-G706 PolarHBondContact O-N 2.98Å; W703-H707 PolarHBondContact O-N 2.96Å
704V90.2Very high93.1Very high14 Ų149.7 Ų9.79%0.0856%0.056CC..Hα-helixtrans-53.7-37178.667.90000112.6L656 R670 S708 W796 T798L656-V704 HydrophobicContact CD1-CB 4.5Å; L656-V704 HydrophobicContact CD1-CG2 4.34Å; R670-V704 VanDerWaalsContact NH1-CG2 3.35Å; V704-S708 WeakPolarHBondContact O-CB 3.47Å; V704-S708 PolarHBondContact O-N 2.8Å; V704-S708 PolarHBondContact O-OG 2.54Å; V704-W796 HydrophobicContact CG1-CH2 4.42Å; V704-W796 HydrophobicContact CG1-CZ3 4.11Å; V704-W796 HydrophobicContact CG2-CZ3 3.99Å; V704-T798 HydrophobicContact CB-CG2 4.18Å
705V91.7Very high93.4Very high26 Ų2610.3 Ų10.316%0.1586%0.059CC..Hα-helixtrans-63.6-43.8178.551.80000111.8S699 W703 Y709 F749 W796S699-V705 WeakPolarHBondContact OG-CG1 3.16Å; W703-V705 HydrophobicContact CB-CG1 3.89Å; W703-V705 PolarHBondContact O-N 3.22Å; W703-V705 VanDerWaalsContact O-N 3.12Å; V705-Y709 WeakPolarHBondContact O-CA 3.14Å; V705-Y709 WeakPolarHBondContact O-CB 3.31Å; V705-Y709 PolarHBondContact O-N 2.97Å; V705-F749 HydrophobicContact CG2-CD1 3.8Å; V705-F749 HydrophobicContact CG2-CE1 3.43Å; V705-F749 VanDerWaalsContact CG2-CE1 3.43Å; V705-F749 HydrophobicContact CG2-CZ 3.99Å; V705-W796 HydrophobicContact CB-CH2 4.14Å; V705-W796 HydrophobicContact CB-CZ2 4.12Å; V705-W796 HydrophobicContact CG2-CZ2 4.29Å
706G91.6Very high93.3Very high0 Ų014.4 Ų14.40%08%0.08CC..Hα-helixtrans-72.5-45.6178.100000111.7D700 W703 S708 I710 V711D700-G706 WeakPolarHBondContact O-CA 3.27Å; W703-G706 PolarHBondContact O-N 2.98Å; G706-S708 VanDerWaalsContact C-N 3.33Å; G706-S708 PolarHBondContact O-N 2.64Å; G706-I710 VanDerWaalsContact CA-CD1 3.46Å; G706-I710 WeakPolarHBondContact O-CA 3.44Å; G706-I710 WeakPolarHBondContact O-CB 3.46Å; G706-I710 PolarHBondContact O-N 3.02Å; G706-V711 PolarHBondContact O-N 3.06Å
707H95.2Very high93Very high1 Ų115.5 Ų15.51%0.0059%0.089CC..Iπ-helixtrans-54.3-50.5174-179-69.6000111.5H553 L656 Y675 I701 W703 V711 Y712H553-H707 AromaticContact CD2-NE2 3.75Å; H553-H707 AromaticContact NE2-CD2 3.87Å; H553-H707 AromaticContact NE2-CE1 3.93Å; H553-H707 AromaticContact NE2-NE2 2.94Å; H553-H707 PolarHBondContact NE2-NE2 3.39Å; L656-H707 HydrophobicContact CD1-CB 4.22Å; L656-H707 HydrophobicContact CD2-CB 4.5Å; Y675-H707 AromaticContact CE1-CE1 3.73Å; Y675-H707 PolarHBondContact OH-ND1 3.37Å; Y675-H707 VanDerWaalsContact OH-ND1 3.13Å; I701-H707 PolarHBondContact O-N 3.15Å; W703-H707 PolarHBondContact O-N 2.96Å; H707-V711 WeakPolarHBondContact O-CB 3.42Å; H707-Y712 AromaticContact CE1-CD2 3.31Å; H707-Y712 WeakPolarHBondContact CE1-CD2 3.42Å; H707-Y712 AromaticContact CE1-CE2 3.17Å; H707-Y712 WeakPolarHBondContact CE1-CE2 3.49Å; H707-Y712 AromaticContact ND1-CD2 3.62Å; H707-Y712 AromaticContact ND1-CE2 3.86Å; H707-Y712 AromaticContact NE2-CD2 3.98Å; H707-Y712 AromaticContact NE2-CE2 3.4Å; H707-Y712 WeakPolarHBondContact NE2-CE2 3.28Å; H707-Y712 WeakPolarHBondContact O-CD2 3.42Å; H707-Y712 PolarHBondContact O-N 3.21Å
708S96.4Very high92.7Very high0 Ų016.3 Ų16.30%010%0.098CC..Iπ-helixtrans-71.3-53.3-176.3-50.60000111.4Y675 V704 G706 Y712 A713 G801Y675-S708 PolarHBondContact OH-OG 3.29Å; V704-S708 WeakPolarHBondContact O-CB 3.47Å; V704-S708 PolarHBondContact O-N 2.8Å; V704-S708 PolarHBondContact O-OG 2.54Å; G706-S708 VanDerWaalsContact C-N 3.33Å; G706-S708 PolarHBondContact O-N 2.64Å; S708-Y712 PolarHBondContact O-N 2.97Å; S708-A713 WeakPolarHBondContact O-CB 3.42Å; S708-A713 PolarHBondContact O-N 3.04Å; S708-G801 PolarHBondContact OG-O 3.23Å
709Y96.7Very high92.8Very high0 Ų015.6 Ų15.60%09%0.092CC..Iπ-helixtrans-109.2-2.2-163.7-65.3-66.3000115.1S682 M683 F687 F695 C697 V705 A713 P714 F749 W796 P803S682-Y709 WeakPolarHBondContact CB-OH 3.45Å; S682-Y709 PolarHBondContact OG-OH 3.34Å; M683-Y709 HydrophobicContact SD-CD1 3.99Å; M683-Y709 HydrophobicContact SD-CE1 4.13Å; F687-Y709 HydrophobicContact CD2-CD1 4.44Å; F687-Y709 AromaticContact CD2-CE1 3.85Å; F687-Y709 HydrophobicContact CD2-CE1 3.85Å; F687-Y709 HydrophobicContact CE2-CD1 4.1Å; F687-Y709 AromaticContact CE2-CE1 3.35Å; F687-Y709 HydrophobicContact CE2-CE1 3.35Å; F687-Y709 HydrophobicContact CE2-CE2 4.14Å; F687-Y709 AromaticContact CE2-CZ 3.41Å; F687-Y709 VanDerWaalsContact CE2-CZ 3.41Å; F687-Y709 WeakPolarHBondContact CE2-OH 3.44Å; F687-Y709 HydrophobicContact CZ-CE1 4.16Å; F687-Y709 HydrophobicContact CZ-CE2 4.27Å; F687-Y709 AromaticContact CZ-CZ 3.98Å; F695-Y709 WeakPolarHBondContact CD1-O 3.27Å; C697-Y709 VanDerWaalsContact CB-O 3.28Å; C697-Y709 WeakPolarHBondContact CB-O 3.41Å; V705-Y709 WeakPolarHBondContact O-CA 3.14Å; V705-Y709 WeakPolarHBondContact O-CB 3.31Å; V705-Y709 PolarHBondContact O-N 2.97Å; Y709-A713 HydrophobicContact CD1-CB 3.56Å; Y709-A713 HydrophobicContact CE1-CB 3.68Å; Y709-P714 VanDerWaalsContact O-CG 3.3Å; Y709-P714 WeakPolarHBondContact O-CG 3.41Å; Y709-F749 HydrophobicContact CD2-CE2 4.48Å; Y709-W796 AromaticContact CD2-CH2 3.4Å; Y709-W796 HydrophobicContact CD2-CH2 3.4Å; Y709-W796 AromaticContact CD2-CZ2 3.71Å; Y709-W796 HydrophobicContact CD2-CZ2 3.71Å; Y709-W796 HydrophobicContact CD2-CZ3 4.4Å; Y709-W796 AromaticContact CE2-CH2 3.15Å; Y709-W796 HydrophobicContact CE2-CH2 3.15Å; Y709-W796 AromaticContact CE2-CZ2 3.51Å; Y709-W796 HydrophobicContact CE2-CZ2 3.51Å; Y709-W796 AromaticContact CE2-CZ3 3.82Å; Y709-W796 HydrophobicContact CE2-CZ3 3.82Å; Y709-P803 WeakPolarHBondContact OH-CD 3.29Å
710I97.3Very high93.1Very high0 Ų014 Ų140%08%0.081CC..Iπ-helixtrans-98.5-37.8162.6-52.7169.6000109.7M535 H540 C697 S699 I701 G706 T721 V723M535-I710 HydrophobicContact CE-CD1 3.76Å; H540-I710 WeakPolarHBondContact NE2-CG2 3.48Å; C697-I710 HydrophobicContact CB-CG1 3.57Å; C697-I710 WeakPolarHBondContact O-CD1 3.39Å; C697-I710 VanDerWaalsContact O-CG1 3.29Å; C697-I710 WeakPolarHBondContact O-CG1 3.36Å; S699-I710 WeakPolarHBondContact O-CD1 3.35Å; I701-I710 HydrophobicContact CG2-CB 4.43Å; I701-I710 HydrophobicContact CG2-CD1 4.36Å; G706-I710 VanDerWaalsContact CA-CD1 3.46Å; G706-I710 WeakPolarHBondContact O-CA 3.44Å; G706-I710 WeakPolarHBondContact O-CB 3.46Å; G706-I710 PolarHBondContact O-N 3.02Å; I710-T721 VanDerWaalsContact O-CB 3.25Å; I710-T721 WeakPolarHBondContact O-CB 3.49Å; I710-T721 WeakPolarHBondContact O-CG2 3.48Å; I710-T721 PolarHBondContact O-OG1 3.09Å; I710-V723 HydrophobicContact CG2-CB 4.15Å
711V97.4Very high93.5Very high0 Ų013.1 Ų13.10%08%0.076CC..Iπ-helixtrans-96.5-69.4-174.5-167.30000112.2L543 L544 I701 G706 H707 L715L543-V711 HydrophobicContact CB-CG1 4.35Å; L543-V711 HydrophobicContact CD1-CG1 4.25Å; L543-V711 HydrophobicContact CD1-CG2 3.8Å; L544-V711 HydrophobicContact CD2-CG1 4.35Å; L544-V711 HydrophobicContact CG-CG1 4.38Å; I701-V711 HydrophobicContact CG2-CG2 3.98Å; G706-V711 PolarHBondContact O-N 3.06Å; H707-V711 WeakPolarHBondContact O-CB 3.42Å; V711-L715 VanDerWaalsContact O-CD1 3.24Å; V711-L715 WeakPolarHBondContact O-CD1 3.41Å; V711-L715 WeakPolarHBondContact O-CG 3.34Å
712Y97.5Very high93.9Very high31 Ų3113.1 Ų13.112%0.1228%0.076CC..Iπ-helixtrans-84.8-53.7-161.4-74.2-81.8000114L543 L544 A547 H553 L679 H707 S708 L715 L716L543-Y712 PolarHBondContact O-OH 2.98Å; L544-Y712 HydrophobicContact CD2-CD1 4.49Å; L544-Y712 HydrophobicContact CD2-CE1 4.19Å; A547-Y712 HydrophobicContact CB-CE1 4.29Å; H553-Y712 AromaticContact CE1-CZ 3.87Å; H553-Y712 PolarHBondContact CE1-OH 3.1Å; H553-Y712 PolarHBondContact NE2-OH 3.42Å; L679-Y712 HydrophobicContact CD1-CG 4.5Å; H707-Y712 AromaticContact CE1-CD2 3.31Å; H707-Y712 WeakPolarHBondContact CE1-CD2 3.42Å; H707-Y712 AromaticContact CE1-CE2 3.17Å; H707-Y712 WeakPolarHBondContact CE1-CE2 3.49Å; H707-Y712 AromaticContact ND1-CD2 3.62Å; H707-Y712 AromaticContact ND1-CE2 3.86Å; H707-Y712 AromaticContact NE2-CD2 3.98Å; H707-Y712 AromaticContact NE2-CE2 3.4Å; H707-Y712 WeakPolarHBondContact NE2-CE2 3.28Å; H707-Y712 WeakPolarHBondContact O-CD2 3.42Å; H707-Y712 PolarHBondContact O-N 3.21Å; S708-Y712 PolarHBondContact O-N 2.97Å; Y712-L715 PolarHBondContact O-N 3.02Å; Y712-L716 WeakPolarHBondContact O-CB 3.15Å; Y712-L716 VanDerWaalsContact O-CG 3.32Å; Y712-L716 WeakPolarHBondContact O-CG 3.42Å; Y712-L716 PolarHBondContact O-N 3.17Å
713A97.6Very high94.4Very high0 Ų012.7 Ų12.70%07%0.072CC..Hα-helixtrans-61.9-47.2-166.800000113.2L679 M683 S708 Y709 L715 L716 A717L679-A713 HydrophobicContact CB-CB 3.85Å; L679-A713 HydrophobicContact CD1-CB 4.29Å; L679-A713 HydrophobicContact CD2-CB 4.21Å; L679-A713 HydrophobicContact CG-CB 4.34Å; M683-A713 HydrophobicContact CG-CB 3.62Å; M683-A713 WeakPolarHBondContact CG-O 3.33Å; M683-A713 HydrophobicContact SD-CB 3.91Å; S708-A713 WeakPolarHBondContact O-CB 3.42Å; S708-A713 PolarHBondContact O-N 3.04Å; Y709-A713 HydrophobicContact CD1-CB 3.56Å; Y709-A713 HydrophobicContact CE1-CB 3.68Å; A713-L715 VanDerWaalsContact C-N 3.34Å; A713-L715 PolarHBondContact O-N 3.45Å; A713-L716 PolarHBondContact O-N 3.41Å; A713-A717 WeakPolarHBondContact O-CB 3.15Å; A713-A717 PolarHBondContact O-N 2.98Å
714P96.5Very high94.8Very high0 Ų011.8 Ų11.80%07%0.068CC..Hα-helixtrans-61.9-42.2177.8-21.934.1000112.3F695 Y709 L716 A717 G718 M719F695-P714 HydrophobicContact CB-CB 3.9Å; F695-P714 HydrophobicContact CB-CG 3.9Å; F695-P714 HydrophobicContact CD1-CG 3.78Å; F695-P714 HydrophobicContact CG-CB 4.45Å; F695-P714 HydrophobicContact CG-CG 3.99Å; Y709-P714 VanDerWaalsContact O-CG 3.3Å; Y709-P714 WeakPolarHBondContact O-CG 3.41Å; P714-L716 PolarHBondContact O-N 2.93Å; P714-A717 CarbonylContact O-C 3.51Å; P714-A717 WeakPolarHBondContact O-CA 3.32Å; P714-A717 PolarHBondContact O-N 3.02Å; P714-A717 VanDerWaalsContact O-N 3.12Å; P714-G718 PolarHBondContact O-N 3.31Å; P714-G718 VanDerWaalsContact O-N 3.13Å; P714-M719 HydrophobicContact CB-CB 4.07Å; P714-M719 WeakPolarHBondContact O-CA 3.35Å; P714-M719 WeakPolarHBondContact O-CB 3.04Å; P714-M719 PolarHBondContact O-N 3.28Å
715L96.2Very high95.1Very high28 Ų2811.4 Ų11.415%0.1477%0.066CC..Hα-helixtrans-66.2-39.5179.4-65.3-179.3000112.1A488 F504 L507 L544 V711 Y712 A713 A717 G718 T721A488-L715 HydrophobicContact CB-CD2 4.06Å; A488-L715 WeakPolarHBondContact O-CD2 3.38Å; F504-L715 HydrophobicContact CE1-CD2 4.02Å; F504-L715 HydrophobicContact CZ-CD2 4.29Å; L507-L715 HydrophobicContact CD2-CD1 3.96Å; L507-L715 HydrophobicContact CD2-CD2 4.03Å; L544-L715 HydrophobicContact CD1-CD1 3.74Å; L544-L715 HydrophobicContact CD2-CD1 4.12Å; V711-L715 VanDerWaalsContact O-CD1 3.24Å; V711-L715 WeakPolarHBondContact O-CD1 3.41Å; V711-L715 WeakPolarHBondContact O-CG 3.34Å; Y712-L715 PolarHBondContact O-N 3.02Å; A713-L715 VanDerWaalsContact C-N 3.34Å; A713-L715 PolarHBondContact O-N 3.45Å; L715-A717 PolarHBondContact O-N 3.48Å; L715-G718 PolarHBondContact O-N 3.49Å; L715-G718 VanDerWaalsContact O-N 3.1Å; L715-T721 HydrophobicContact CD2-CG2 4.32Å; L715-T721 HydrophobicContact CG-CG2 4.37Å
716L94.2Very high95Very high87 Ų8711 Ų1146%0.4557%0.067SC..Hα-helixtrans-62.6-33.2172.9-72.8170.4000111.9A676 L679 Y712 A713 P714 G718A676-L716 HydrophobicContact CB-CD1 4.36Å; L679-L716 HydrophobicContact CB-CD1 4.06Å; L679-L716 HydrophobicContact CD1-CD1 4.39Å; Y712-L716 WeakPolarHBondContact O-CB 3.15Å; Y712-L716 VanDerWaalsContact O-CG 3.32Å; Y712-L716 WeakPolarHBondContact O-CG 3.42Å; Y712-L716 PolarHBondContact O-N 3.17Å; A713-L716 PolarHBondContact O-N 3.41Å; P714-L716 PolarHBondContact O-N 2.93Å; L716-G718 VanDerWaalsContact C-N 3.28Å; L716-G718 PolarHBondContact O-N 2.8Å
717A90.3Very high94.7Very high23 Ų2313.1 Ų13.119%0.198%0.078CC..THydrogen-bonded Turntrans-82.31.5175.100000114M683 A691 A713 P714 L715 M719M683-A717 HydrophobicContact CB-CB 3.73Å; M683-A717 HydrophobicContact CE-CB 4.3Å; M683-A717 HydrophobicContact CG-CB 4.04Å; A691-A717 WeakPolarHBondContact CA-O 3.3Å; A691-A717 PolarHBondContact N-O 2.98Å; A713-A717 WeakPolarHBondContact O-CB 3.15Å; A713-A717 PolarHBondContact O-N 2.98Å; P714-A717 CarbonylContact O-C 3.51Å; P714-A717 WeakPolarHBondContact O-CA 3.32Å; P714-A717 PolarHBondContact O-N 3.02Å; P714-A717 VanDerWaalsContact O-N 3.12Å; L715-A717 PolarHBondContact O-N 3.48Å; A717-M719 VanDerWaalsContact C-N 3.28Å; A717-M719 HydrophobicContact CB-CG 4.27Å; A717-M719 HydrophobicContact CB-SD 4.45Å; A717-M719 PolarHBondContact O-N 2.97Å
718G88.6Confident94.2Very high19 Ų1914 Ų1420%0.1968%0.084CC..THydrogen-bonded Turntrans70.520.8-176.700000114.2A691 G692 P714 L715 L716A691-G718 WeakPolarHBondContact CA-O 3.34Å; G692-G718 PolarHBondContact N-O 3.23Å; P714-G718 PolarHBondContact O-N 3.31Å; P714-G718 VanDerWaalsContact O-N 3.13Å; L715-G718 PolarHBondContact O-N 3.49Å; L715-G718 VanDerWaalsContact O-N 3.1Å; L716-G718 VanDerWaalsContact C-N 3.28Å; L716-G718 PolarHBondContact O-N 2.8Å
719M91.4Very high93.6Very high0 Ų016.7 Ų16.70%010%0.1CC..  trans-94.2152176.7-64.6-179.274.700111.4M683 G689 K690 G693 F695 P714 A717 R747M683-M719 HydrophobicContact CE-CE 4.49Å; M683-M719 HydrophobicContact CE-SD 3.33Å; M683-M719 WeakPolarHBondContact CE-SD 3.04Å; G689-M719 WeakPolarHBondContact CA-SD 3.37Å; K690-M719 WeakPolarHBondContact O-CG 3.24Å; G693-M719 CarbonylContact O-C 3.58Å; G693-M719 VanDerWaalsContact O-CA 3.28Å; G693-M719 WeakPolarHBondContact O-CA 3.34Å; G693-M719 WeakPolarHBondContact O-CB 3.43Å; F695-M719 HydrophobicContact CB-CE 3.94Å; F695-M719 HydrophobicContact CB-SD 4.5Å; F695-M719 HydrophobicContact CD2-CE 4.25Å; P714-M719 HydrophobicContact CB-CB 4.07Å; P714-M719 WeakPolarHBondContact O-CA 3.35Å; P714-M719 WeakPolarHBondContact O-CB 3.04Å; P714-M719 PolarHBondContact O-N 3.28Å; A717-M719 VanDerWaalsContact C-N 3.28Å; A717-M719 HydrophobicContact CB-CG 4.27Å; A717-M719 HydrophobicContact CB-SD 4.45Å; A717-M719 PolarHBondContact O-N 2.97Å; M719-R747 HydrophobicContact CE-CG 4.33Å
720A94.4Very high92.9Very high2 Ų222.4 Ų22.42%0.01712%0.122CC..EExtended strand (participates in β ladder)trans-70.9141.8163.900000109.7L487 A488 I490 G693 V694 F695L487-A720 HydrophobicContact CB-CB 3.85Å; L487-A720 WeakPolarHBondContact O-CA 3.37Å; L487-A720 VanDerWaalsContact O-CB 3.24Å; L487-A720 WeakPolarHBondContact O-CB 3.46Å; A488-A720 CarbonylContact O-C 3.36Å; A488-A720 WeakPolarHBondContact O-CA 3.28Å; I490-A720 HydrophobicContact CD1-CB 4.12Å; G693-A720 PolarHBondContact O-N 2.91Å; V694-A720 WeakPolarHBondContact CA-O 3.45Å; V694-A720 HydrophobicContact CB-CB 4.4Å; V694-A720 HydrophobicContact CG1-CB 4.24Å; V694-A720 HydrophobicContact CG2-CB 4Å; F695-A720 PolarHBondContact N-O 3.44Å
721T98.2Very high92.4Very high0 Ų026.2 Ų26.20%015%0.146CC..EExtended strand (participates in β ladder)trans-114.8144.9172.9-169.10000111.4A488 L489 I490 I710 L715A488-T721 PolarHBondContact O-N 3.34Å; L489-T721 HydrophobicContact CD1-CG2 3.83Å; I490-T721 PolarHBondContact N-O 2.93Å; I710-T721 VanDerWaalsContact O-CB 3.25Å; I710-T721 WeakPolarHBondContact O-CB 3.49Å; I710-T721 WeakPolarHBondContact O-CG2 3.48Å; I710-T721 PolarHBondContact O-OG1 3.09Å; L715-T721 HydrophobicContact CD2-CG2 4.32Å; L715-T721 HydrophobicContact CG-CG2 4.37Å
722I98Very high91.8Very high0 Ų028.7 Ų28.70%016%0.16CC..EExtended strand (participates in β ladder)trans-105.1122175.3-67.2161.5000109.9I490 V694 F695 F696 I739 Y743 V745I490-I722 HydrophobicContact CB-CG1 3.85Å; I490-I722 HydrophobicContact CD1-CG1 4Å; I490-I722 HydrophobicContact CG2-CG1 4.02Å; I490-I722 CarbonylContact O-C 3.44Å; I490-I722 VanDerWaalsContact O-CA 3.3Å; I490-I722 WeakPolarHBondContact O-CA 3.08Å; V694-I722 HydrophobicContact CG1-CD1 3.68Å; V694-I722 HydrophobicContact CG1-CG1 4.07Å; F695-I722 PolarHBondContact O-N 3.34Å; F696-I722 HydrophobicContact CB-CB 4.47Å; F696-I722 HydrophobicContact CB-CD1 4.04Å; F696-I722 HydrophobicContact CD2-CB 3.7Å; F696-I722 HydrophobicContact CD2-CD1 4.45Å; F696-I722 HydrophobicContact CD2-CG2 3.63Å; F696-I722 HydrophobicContact CE2-CB 4.31Å; F696-I722 HydrophobicContact CE2-CG2 3.72Å; F696-I722 HydrophobicContact CG-CB 4.27Å; F696-I722 HydrophobicContact CG-CD1 4.19Å; F696-I722 HydrophobicContact CG-CG2 4.39Å; I722-I739 HydrophobicContact CD1-CG2 3.81Å; I722-I739 HydrophobicContact CG2-CG2 4.26Å; I722-Y743 HydrophobicContact CD1-CD2 4.23Å; I722-V745 HydrophobicContact CD1-CG2 3.55Å
723V96.7Very high91.2Very high0 Ų028.8 Ų28.80%016%0.164CC..EExtended strand (participates in β ladder)trans-99121.9164.361.30000108.8L489 I490 A491 V492 M535 H540 I710L489-V723 HydrophobicContact CD1-CB 4.46Å; L489-V723 HydrophobicContact CD1-CG1 3.84Å; I490-V723 PolarHBondContact O-N 2.7Å; A491-V723 VanDerWaalsContact CA-CG1 3.49Å; A491-V723 WeakPolarHBondContact CA-O 3.16Å; A491-V723 HydrophobicContact CB-CG1 3.51Å; V492-V723 PolarHBondContact N-O 2.96Å; M535-V723 HydrophobicContact CB-CG2 4.08Å; M535-V723 HydrophobicContact CE-CG2 3.75Å; M535-V723 WeakPolarHBondContact O-CG2 3.01Å; H540-V723 WeakPolarHBondContact CE1-CB 3.1Å; H540-V723 WeakPolarHBondContact CE1-CG2 3.49Å; I710-V723 HydrophobicContact CG2-CB 4.15Å
724Y95.7Very high90.7Very high16 Ų1628.8 Ų28.86%0.06316%0.164CC..EExtended strand (participates in β ladder)trans-115.2124.5-177.6177.6-106.4000111.5V492 S494 M535 F696 G726 L727 W730 V735 W736 I739V492-Y724 HydrophobicContact CB-CD2 4.33Å; V492-Y724 HydrophobicContact CG1-CD2 4.24Å; V492-Y724 CarbonylContact O-C 3.44Å; V492-Y724 WeakPolarHBondContact O-CA 3.46Å; S494-Y724 WeakPolarHBondContact CB-OH 3.38Å; S494-Y724 PolarHBondContact OG-OH 3.36Å; M535-Y724 WeakPolarHBondContact CB-O 3.23Å; F696-Y724 HydrophobicContact CZ-CG 4.42Å; Y724-G726 VanDerWaalsContact CE1-C 3.41Å; Y724-G726 WeakPolarHBondContact CE1-O 3.49Å; Y724-L727 PolarHBondContact OH-O 2.81Å; Y724-W730 PolarHBondContact OH-O 3.45Å; Y724-V735 HydrophobicContact CE2-CG2 4.23Å; Y724-V735 WeakPolarHBondContact OH-CG1 3.19Å; Y724-V735 WeakPolarHBondContact OH-CG2 3.46Å; Y724-W736 AromaticContact CD1-NE1 3.3Å; Y724-W736 VanDerWaalsContact CD1-NE1 3.3Å; Y724-W736 AromaticContact CE1-CD1 3.81Å; Y724-W736 HydrophobicContact CE1-CZ2 4.48Å; Y724-W736 AromaticContact CE1-NE1 2.99Å; Y724-W736 AromaticContact CZ-CD1 3.9Å; Y724-W736 AromaticContact CZ-NE1 3.55Å; Y724-I739 HydrophobicContact CD2-CD1 3.51Å; Y724-I739 HydrophobicContact CE2-CD1 3.63Å; Y724-I739 HydrophobicContact CG-CD1 4.42Å
725E94.6Very high90.3Very high7 Ų729.5 Ų29.53%0.03317%0.169CC..EExtended strand (participates in β ladder)trans-101.6111.9167.2-174.4-174.1-132.600109.5V492 S493 S494 E495 M535 A584 R615V492-E725 PolarHBondContact O-N 2.97Å; S493-E725 WeakPolarHBondContact CA-O 3.38Å; S493-E725 WeakPolarHBondContact CB-OE2 3.49Å; S493-E725 PolarHBondContact OG-OE2 3.12Å; S494-E725 PolarHBondContact N-O 3.29Å; E495-E725 HydrophobicContact CG-CG 4.42Å; M535-E725 HydrophobicContact CB-CB 4.01Å; A584-E725 PolarHBondContact N-OE1 3.43Å; A584-E725 WeakPolarHBondContact O-CG 3.5Å; R615-E725 IonicContact CZ-OE1 2.86Å; R615-E725 IonicContact CZ-OE2 2.7Å; R615-E725 IonicContact NH1-OE1 2.85Å; R615-E725 PolarHBondContact NH1-OE1 3.13Å; R615-E725 IonicContact NH1-OE2 3.31Å; R615-E725 IonicContact NH2-OE1 3.76Å; R615-E725 PolarHBondContact NH2-OE1 2.87Å; R615-E725 IonicContact NH2-OE2 3.53Å; R615-E725 PolarHBondContact NH2-OE2 2.52Å
726G90.3Very high90Very high17 Ų1728.7 Ų28.718%0.17516%0.164CC..SBendtrans154-177.817400000113.3E495 Y724E495-G726 WeakPolarHBondContact OE1-CA 3.41Å; Y724-G726 VanDerWaalsContact CE1-C 3.41Å; Y724-G726 WeakPolarHBondContact CE1-O 3.49Å
727L86.5Confident89.7Confident45 Ų4525 Ų2524%0.23614%0.144CC..  trans-91.2154.2170.4-65.8175.7000111.2R585 Y724 T729 W730R585-L727 HydrophobicContact CG-CD2 4.02Å; R585-L727 HydrophobicContact CG-CG 4.17Å; Y724-L727 PolarHBondContact OH-O 2.81Å; L727-T729 PolarHBondContact O-N 2.98Å; L727-W730 HydrophobicContact CB-CB 4.04Å; L727-W730 PolarHBondContact O-N 3Å
728P84.8Confident89.7Confident20 Ų2028.7 Ų28.713%0.1316%0.156CC..THydrogen-bonded Turntrans-64-15.117123.3-32.1000113.8V735 W736 V757 L758P728-V735 WeakPolarHBondContact O-CG1 3.2Å; P728-W736 HydrophobicContact CB-CD2 3.95Å; P728-W736 HydrophobicContact CB-CE3 4.05Å; P728-W736 HydrophobicContact CB-CH2 3.72Å; P728-W736 HydrophobicContact CB-CZ2 3.6Å; P728-W736 HydrophobicContact CB-CZ3 3.94Å; P728-W736 HydrophobicContact CG-CH2 4.12Å; P728-W736 HydrophobicContact CG-CZ2 4.1Å; P728-V757 HydrophobicContact CB-CG2 4.07Å; P728-V757 HydrophobicContact CG-CG2 3.69Å; P728-L758 HydrophobicContact CB-CD2 3.78Å
729T83Confident89.8Confident56 Ų5628.3 Ų28.334%0.34415%0.149SC..THydrogen-bonded Turntrans-109.2-0.4-17554.10000113.7L727 D732 V757L727-T729 PolarHBondContact O-N 2.98Å; T729-D732 CarbonylContact C-O 3.53Å; T729-D732 CarbonylContact O-C 3.56Å; T729-D732 WeakPolarHBondContact O-CA 3.26Å; T729-D732 PolarHBondContact O-N 3.4Å; T729-V757 HydrophobicContact CG2-CB 3.95Å; T729-V757 HydrophobicContact CG2-CG2 3.96Å
730W82.4Confident89.8Confident120 Ų12028.5 Ų28.546%0.45515%0.15SC..SBendtrans-124.5127.6-174.2-176.1-101.9000111.4S494 Y724 L727 D732S494-W730 PolarHBondContact OG-O 3.31Å; Y724-W730 PolarHBondContact OH-O 3.45Å; L727-W730 HydrophobicContact CB-CB 4.04Å; L727-W730 PolarHBondContact O-N 3Å; W730-D732 VanDerWaalsContact C-N 3.32Å
731P85.6Confident89.5Confident79 Ų7934.7 Ų34.751%0.51318%0.179SC..SBendcis-74.4-12.82.731.4-37.8000114.6
732D86.1Confident89.1Confident52 Ų5240.5 Ų40.528%0.27820%0.204SC..  trans-152.4163.2174.964.978.3000111.5T729 W730 G734 V735 K738T729-D732 CarbonylContact C-O 3.53Å; T729-D732 CarbonylContact O-C 3.56Å; T729-D732 WeakPolarHBondContact O-CA 3.26Å; T729-D732 PolarHBondContact O-N 3.4Å; W730-D732 VanDerWaalsContact C-N 3.32Å; D732-G734 PolarHBondContact O-N 2.92Å; D732-G734 WeakPolarHBondContact OD1-CA 3.04Å; D732-G734 PolarHBondContact OD1-N 3.25Å; D732-V735 WeakPolarHBondContact O-CG1 3.48Å; D732-V735 PolarHBondContact O-N 2.84Å; D732-V735 PolarHBondContact OD1-N 3.15Å; D732-K738 IonicContact OD1-NZ 3.89Å; D732-K738 PolarHBondContact OD1-NZ 3.15Å; D732-K738 IonicContact OD2-NZ 2.88Å; D732-K738 PolarHBondContact OD2-NZ 3.11Å
733C84Confident88.7Confident33 Ų3341.7 Ų41.722%0.22321%0.209CC..THydrogen-bonded Turntrans-66.84.1179.4-59.60000115.3K759C733-K759 HydrophobicContact CB-CB 4.11Å; C733-K759 HydrophobicContact CB-CD 4.3Å; C733-K759 HydrophobicContact CB-CG 3.88Å; C733-K759 PolarHBondContact O-N 2.95Å
734G86.5Confident88.1Confident0 Ų048.2 Ų48.20%024%0.239CC..THydrogen-bonded Turntrans-106.1-2.2175.700000114.1D732 W736 W737 K738D732-G734 PolarHBondContact O-N 2.92Å; D732-G734 WeakPolarHBondContact OD1-CA 3.04Å; D732-G734 PolarHBondContact OD1-N 3.25Å; G734-W736 VanDerWaalsContact C-N 3.32Å; G734-W736 PolarHBondContact O-N 3.16Å; G734-W737 PolarHBondContact O-N 2.89Å; G734-K738 WeakPolarHBondContact O-CG 3.43Å; G734-K738 PolarHBondContact O-N 3.48Å
735V88.6Confident87.8Confident15 Ų1547.6 Ų47.69%0.09124%0.237CC..Hα-helixtrans-55.6-42.2-172.864.50000113.3Y724 P728 D732 K738 I739Y724-V735 HydrophobicContact CE2-CG2 4.23Å; Y724-V735 WeakPolarHBondContact OH-CG1 3.19Å; Y724-V735 WeakPolarHBondContact OH-CG2 3.46Å; P728-V735 WeakPolarHBondContact O-CG1 3.2Å; D732-V735 WeakPolarHBondContact O-CG1 3.48Å; D732-V735 PolarHBondContact O-N 2.84Å; D732-V735 PolarHBondContact OD1-N 3.15Å; V735-K738 PolarHBondContact O-N 3.18Å; V735-I739 WeakPolarHBondContact O-CG1 3.43Å; V735-I739 PolarHBondContact O-N 2.91Å
736W90.9Very high87.3Confident11 Ų1148.9 Ų48.94%0.04225%0.247CC..Hα-helixtrans-69-36.6177.3-71.4-2000112.7F696 A698 Y724 P728 G734 K738 I739 V740 M748 A754 L758F696-W736 HydrophobicContact CE1-CB 4.07Å; F696-W736 HydrophobicContact CE1-CD2 4.46Å; F696-W736 HydrophobicContact CE1-CG 4.01Å; F696-W736 HydrophobicContact CZ-CD2 4.44Å; F696-W736 HydrophobicContact CZ-CG 4.16Å; A698-W736 HydrophobicContact CB-CD2 4.42Å; A698-W736 HydrophobicContact CB-CE3 4.18Å; A698-W736 HydrophobicContact CB-CH2 3.46Å; A698-W736 VanDerWaalsContact CB-CH2 3.46Å; A698-W736 HydrophobicContact CB-CZ2 3.72Å; A698-W736 HydrophobicContact CB-CZ3 3.71Å; Y724-W736 AromaticContact CD1-NE1 3.3Å; Y724-W736 VanDerWaalsContact CD1-NE1 3.3Å; Y724-W736 AromaticContact CE1-CD1 3.81Å; Y724-W736 HydrophobicContact CE1-CZ2 4.48Å; Y724-W736 AromaticContact CE1-NE1 2.99Å; Y724-W736 AromaticContact CZ-CD1 3.9Å; Y724-W736 AromaticContact CZ-NE1 3.55Å; P728-W736 HydrophobicContact CB-CD2 3.95Å; P728-W736 HydrophobicContact CB-CE3 4.05Å; P728-W736 HydrophobicContact CB-CH2 3.72Å; P728-W736 HydrophobicContact CB-CZ2 3.6Å; P728-W736 HydrophobicContact CB-CZ3 3.94Å; P728-W736 HydrophobicContact CG-CH2 4.12Å; P728-W736 HydrophobicContact CG-CZ2 4.1Å; G734-W736 VanDerWaalsContact C-N 3.32Å; G734-W736 PolarHBondContact O-N 3.16Å; W736-K738 VanDerWaalsContact C-N 3.34Å; W736-I739 WeakPolarHBondContact O-CB 3.3Å; W736-I739 PolarHBondContact O-N 3.31Å; W736-V740 WeakPolarHBondContact O-CG2 3.35Å; W736-V740 PolarHBondContact O-N 3.05Å; W736-M748 HydrophobicContact CB-CE 4.36Å; W736-M748 HydrophobicContact CD2-CE 4.22Å; W736-M748 HydrophobicContact CE3-CE 3.56Å; W736-M748 HydrophobicContact CZ3-CE 4.21Å; W736-A754 HydrophobicContact CH2-CB 3.73Å; W736-A754 HydrophobicContact CZ3-CB 3.82Å; W736-L758 HydrophobicContact CB-CD2 4.34Å; W736-L758 HydrophobicContact CD2-CD2 4.26Å; W736-L758 HydrophobicContact CE3-CD1 3.78Å; W736-L758 HydrophobicContact CE3-CD2 3.95Å; W736-L758 HydrophobicContact CE3-CG 4.35Å; W736-L758 HydrophobicContact CG-CD2 4.45Å; W736-L758 HydrophobicContact CZ3-CD1 4.37Å
737W88.2Confident87.3Confident11 Ų1150.6 Ų50.64%0.04225%0.248CC..Hα-helixtrans-67.3-36.7176.3-56.8127.4000112.2G734 I739 V740 E741 M748 L758 K759 F761 T763 I766 L787G734-W737 PolarHBondContact O-N 2.89Å; W737-I739 VanDerWaalsContact C-N 3.29Å; W737-I739 PolarHBondContact O-N 3.17Å; W737-V740 HydrophobicContact CE3-CB 4.49Å; W737-V740 HydrophobicContact CE3-CG2 4.29Å; W737-V740 PolarHBondContact O-N 2.88Å; W737-E741 WeakPolarHBondContact O-CB 3.39Å; W737-E741 PolarHBondContact O-N 3.37Å; W737-M748 HydrophobicContact CZ3-SD 4.21Å; W737-L758 HydrophobicContact CH2-CD1 4.27Å; W737-L758 HydrophobicContact CZ2-CB 4.2Å; W737-L758 HydrophobicContact CZ2-CD1 3.61Å; W737-K759 PolarHBondContact NE1-O 2.92Å; W737-F761 HydrophobicContact CB-CB 3.93Å; W737-F761 HydrophobicContact CB-CG 4.28Å; W737-F761 AromaticContact CD1-CD2 3.57Å; W737-F761 HydrophobicContact CG-CB 4.01Å; W737-F761 HydrophobicContact CG-CD2 4.37Å; W737-F761 HydrophobicContact CG-CG 4.46Å; W737-T763 HydrophobicContact CB-CG2 4.29Å; W737-T763 HydrophobicContact CD2-CG2 3.7Å; W737-T763 HydrophobicContact CE3-CG2 3.38Å; W737-T763 HydrophobicContact CG-CG2 4.12Å; W737-T763 HydrophobicContact CZ3-CG2 3.95Å; W737-I766 HydrophobicContact CZ3-CD1 3.81Å; W737-L787 HydrophobicContact CH2-CD1 3.61Å; W737-L787 HydrophobicContact CH2-CD2 3.99Å; W737-L787 HydrophobicContact CH2-CG 4.48Å; W737-L787 HydrophobicContact CZ2-CD1 4.15Å; W737-L787 HydrophobicContact CZ2-CD2 3.98Å; W737-L787 HydrophobicContact CZ3-CD1 4.48Å
738K89.2Confident87.6Confident100 Ų10048.4 Ų48.444%0.43524%0.237SC..Hα-helixtrans-61.1-39171.9-67.4170.7-178171.80111.7D732 G734 V735 W736 K742D732-K738 IonicContact OD1-NZ 3.89Å; D732-K738 PolarHBondContact OD1-NZ 3.15Å; D732-K738 IonicContact OD2-NZ 2.88Å; D732-K738 PolarHBondContact OD2-NZ 3.11Å; G734-K738 WeakPolarHBondContact O-CG 3.43Å; G734-K738 PolarHBondContact O-N 3.48Å; V735-K738 PolarHBondContact O-N 3.18Å; W736-K738 VanDerWaalsContact C-N 3.34Å; K738-K742 WeakPolarHBondContact O-CB 3.48Å; K738-K742 PolarHBondContact O-N 2.89Å
739I91.5Very high88Confident11 Ų1147.6 Ų47.66%0.05623%0.231CC..Hα-helixtrans-66.6-45.9174.6-67168.9000110.5V492 F696 I722 Y724 V735 W736 W737 E741 K742 Y743V492-I739 HydrophobicContact CG1-CD1 4.02Å; V492-I739 HydrophobicContact CG1-CG1 4.42Å; F696-I739 HydrophobicContact CD1-CG2 4.38Å; F696-I739 HydrophobicContact CE1-CG2 4.21Å; I722-I739 HydrophobicContact CD1-CG2 3.81Å; I722-I739 HydrophobicContact CG2-CG2 4.26Å; Y724-I739 HydrophobicContact CD2-CD1 3.51Å; Y724-I739 HydrophobicContact CE2-CD1 3.63Å; Y724-I739 HydrophobicContact CG-CD1 4.42Å; V735-I739 WeakPolarHBondContact O-CG1 3.43Å; V735-I739 PolarHBondContact O-N 2.91Å; W736-I739 WeakPolarHBondContact O-CB 3.3Å; W736-I739 PolarHBondContact O-N 3.31Å; W737-I739 VanDerWaalsContact C-N 3.29Å; W737-I739 PolarHBondContact O-N 3.17Å; I739-E741 VanDerWaalsContact C-N 3.33Å; I739-E741 PolarHBondContact O-N 2.97Å; I739-K742 PolarHBondContact O-N 3.29Å; I739-Y743 HydrophobicContact CG2-CD2 3.93Å; I739-Y743 HydrophobicContact CG2-CE2 4.35Å; I739-Y743 WeakPolarHBondContact O-CD2 3.24Å; I739-Y743 PolarHBondContact O-N 3.26Å
740V90Very high88.3Confident4 Ų445 Ų452%0.02422%0.215CC..Hα-helixtrans-56.1-48.1177.1164.20000111.1F696 W736 W737 Q744 V745 M748 I766F696-V740 HydrophobicContact CD1-CG2 4.18Å; W736-V740 WeakPolarHBondContact O-CG2 3.35Å; W736-V740 PolarHBondContact O-N 3.05Å; W737-V740 HydrophobicContact CE3-CB 4.49Å; W737-V740 HydrophobicContact CE3-CG2 4.29Å; W737-V740 PolarHBondContact O-N 2.88Å; V740-Q744 WeakPolarHBondContact O-CA 3.36Å; V740-Q744 PolarHBondContact O-N 3.44Å; V740-V745 HydrophobicContact CB-CB 4.24Å; V740-V745 HydrophobicContact CB-CG2 4.46Å; V740-V745 HydrophobicContact CG1-CB 4.18Å; V740-V745 HydrophobicContact CG2-CB 4.06Å; V740-V745 HydrophobicContact CG2-CG1 4.34Å; V740-V745 HydrophobicContact CG2-CG2 4.25Å; V740-V745 PolarHBondContact O-N 3.4Å; V740-M748 HydrophobicContact CG2-SD 4.08Å; V740-I766 HydrophobicContact CG1-CG2 3.79Å
741E88Confident88.4Confident132 Ų13240.2 Ų40.262%0.61720%0.201SC*.Hα-helixtrans-64.9-51.4177.2-176.7-179.5-163.900111.5W737 I739 Y743 Q744W737-E741 WeakPolarHBondContact O-CB 3.39Å; W737-E741 PolarHBondContact O-N 3.37Å; I739-E741 VanDerWaalsContact C-N 3.33Å; I739-E741 PolarHBondContact O-N 2.97Å; E741-Y743 VanDerWaalsContact C-N 3.34Å; E741-Y743 PolarHBondContact O-N 3.19Å; E741-Q744 PolarHBondContact O-N 3.07Å; E741-Q744 PolarHBondContact O-NE2 3.13Å
742K90Very high88.2Confident121 Ų12136.4 Ų36.453%0.52618%0.176SC..Hα-helixtrans-58.8-43-175.6178.3174.3175.7176.80112.9E499 K738 I739E499-K742 WeakPolarHBondContact OE1-CE 3.43Å; E499-K742 IonicContact OE1-NZ 2.67Å; E499-K742 PolarHBondContact OE1-NZ 2.84Å; E499-K742 IonicContact OE2-NZ 3.46Å; E499-K742 PolarHBondContact OE2-NZ 3.15Å; K738-K742 WeakPolarHBondContact O-CB 3.48Å; K738-K742 PolarHBondContact O-N 2.89Å; I739-K742 PolarHBondContact O-N 3.29Å
743Y89.5Confident87.5Confident26 Ų2635.1 Ų35.110%0.10217%0.17CC..Hα-helixtrans-100.45.5-177.1-62.9-69.4000114.1I490 V492 E499 T501 V694 I722 I739 E741 V745I490-Y743 HydrophobicContact CD1-CD1 3.78Å; I490-Y743 HydrophobicContact CD1-CE1 4.2Å; I490-Y743 HydrophobicContact CD1-CG 4.03Å; I490-Y743 HydrophobicContact CG1-CD1 4.46Å; I490-Y743 HydrophobicContact CG1-CE1 4.4Å; I490-Y743 HydrophobicContact CG2-CD1 4.2Å; I490-Y743 HydrophobicContact CG2-CD2 4.09Å; I490-Y743 HydrophobicContact CG2-CE1 3.7Å; I490-Y743 HydrophobicContact CG2-CE2 3.55Å; I490-Y743 HydrophobicContact CG2-CG 4.35Å; I490-Y743 WeakPolarHBondContact CG2-OH 3.3Å; V492-Y743 HydrophobicContact CG2-CE2 3.95Å; E499-Y743 VanDerWaalsContact CG-OH 3.31Å; E499-Y743 WeakPolarHBondContact CG-OH 3.45Å; E499-Y743 PolarHBondContact OE1-OH 2.82Å; E499-Y743 PolarHBondContact OE2-OH 3.34Å; T501-Y743 HydrophobicContact CG2-CE1 4.27Å; V694-Y743 WeakPolarHBondContact CG2-O 3.04Å; I722-Y743 HydrophobicContact CD1-CD2 4.23Å; I739-Y743 HydrophobicContact CG2-CD2 3.93Å; I739-Y743 HydrophobicContact CG2-CE2 4.35Å; I739-Y743 WeakPolarHBondContact O-CD2 3.24Å; I739-Y743 PolarHBondContact O-N 3.26Å; E741-Y743 VanDerWaalsContact C-N 3.34Å; E741-Y743 PolarHBondContact O-N 3.19Å; Y743-V745 VanDerWaalsContact C-N 3.27Å; Y743-V745 PolarHBondContact O-N 3.17Å
744Q84.9Confident87.2Confident136 Ų13634.4 Ų34.464%0.63617%0.167SC*.THydrogen-bonded Turntrans51.950.7-179.7-57.7-71.9-64.800110.7V740 E741 S746V740-Q744 WeakPolarHBondContact O-CA 3.36Å; V740-Q744 PolarHBondContact O-N 3.44Å; E741-Q744 PolarHBondContact O-N 3.07Å; E741-Q744 PolarHBondContact O-NE2 3.13Å; Q744-S746 PolarHBondContact O-N 3.36Å
745V88.8Confident86.9Confident4 Ų434.5 Ų34.52%0.02417%0.167CC..  trans-58.4123.3-179.3172.20000108.9V694 F696 I722 V740 Y743 R747 I766V694-V745 HydrophobicContact CG1-CG2 4.01Å; F696-V745 HydrophobicContact CB-CG1 3.69Å; F696-V745 HydrophobicContact CB-CG2 4.06Å; I722-V745 HydrophobicContact CD1-CG2 3.55Å; V740-V745 HydrophobicContact CB-CB 4.24Å; V740-V745 HydrophobicContact CB-CG2 4.46Å; V740-V745 HydrophobicContact CG1-CB 4.18Å; V740-V745 HydrophobicContact CG2-CB 4.06Å; V740-V745 HydrophobicContact CG2-CG1 4.34Å; V740-V745 HydrophobicContact CG2-CG2 4.25Å; V740-V745 PolarHBondContact O-N 3.4Å; Y743-V745 VanDerWaalsContact C-N 3.27Å; Y743-V745 PolarHBondContact O-N 3.17Å; V745-R747 WeakPolarHBondContact CG1-O 3.35Å; V745-I766 WeakPolarHBondContact O-CG2 3.43Å
746S85.8Confident86.4Confident33 Ų3337 Ų3723%0.23118%0.175CC..SBendtrans-92.4-24.1-17961.60000112.6V694 Q744 L767V694-S746 PolarHBondContact O-N 3.08Å; V694-S746 PolarHBondContact O-OG 3.09Å; Q744-S746 PolarHBondContact O-N 3.36Å; S746-L767 PolarHBondContact O-N 3.14Å
747R90.1Very high85.6Confident53 Ų5339.5 Ų39.520%0.219%0.192CC..EExtended strand (participates in β ladder)trans-141.1130.9-178-56.5-63.9177.8-106.51.7110.1F687 G688 V694 F695 F696 M719 V745F687-R747 WeakPolarHBondContact O-CD 3.23Å; F687-R747 PolarHBondContact O-NE 3.39Å; G688-R747 PolarHBondContact O-NE 2.79Å; G688-R747 PolarHBondContact O-NH2 3.14Å; V694-R747 PolarHBondContact O-N 3.32Å; F695-R747 HydrophobicContact CD2-CB 3.43Å; F695-R747 VanDerWaalsContact CD2-CB 3.43Å; F695-R747 HydrophobicContact CD2-CG 4.19Å; F695-R747 HydrophobicContact CE2-CB 3.62Å; F695-R747 HydrophobicContact CE2-CG 4.43Å; F695-R747 HydrophobicContact CG-CB 4.43Å; F696-R747 PolarHBondContact N-O 3.49Å; M719-R747 HydrophobicContact CE-CG 4.33Å; V745-R747 WeakPolarHBondContact CG1-O 3.35Å
748M92.4Very high85Confident0 Ų039.2 Ų39.20%019%0.191CC..EExtended strand (participates in β ladder)trans-123.4136.9177.6-172.4173-179.400111F696 A698 W736 W737 V740 I755 I766 L767 L768 Y769F696-M748 HydrophobicContact CB-CG 4.48Å; F696-M748 HydrophobicContact CD1-CE 3.98Å; F696-M748 HydrophobicContact CD1-CG 4.33Å; F696-M748 HydrophobicContact CD1-SD 4.25Å; F696-M748 HydrophobicContact CE1-CE 3.93Å; F696-M748 CarbonylContact O-C 3.49Å; F696-M748 VanDerWaalsContact O-CA 3.27Å; F696-M748 WeakPolarHBondContact O-CA 3.35Å; A698-M748 HydrophobicContact CB-CE 4.45Å; W736-M748 HydrophobicContact CB-CE 4.36Å; W736-M748 HydrophobicContact CD2-CE 4.22Å; W736-M748 HydrophobicContact CE3-CE 3.56Å; W736-M748 HydrophobicContact CZ3-CE 4.21Å; W737-M748 HydrophobicContact CZ3-SD 4.21Å; V740-M748 HydrophobicContact CG2-SD 4.08Å; M748-I755 HydrophobicContact CE-CD1 4.42Å; M748-I766 HydrophobicContact CB-CD1 4.37Å; M748-L767 PolarHBondContact N-O 3.32Å; M748-L768 HydrophobicContact CB-CD1 4.03Å; M748-L768 HydrophobicContact CG-CD1 4.02Å; M748-L768 WeakPolarHBondContact O-CA 3.12Å; M748-L768 HydrophobicContact SD-CD1 4.36Å; M748-Y769 WeakPolarHBondContact O-CD2 3.22Å; M748-Y769 PolarHBondContact O-N 2.78Å
749F92.9Very high83.7Confident3 Ų341.2 Ų41.21%0.01320%0.2CC..EExtended strand (participates in β ladder)trans-120.7130.3174.9-168.2-62.8000109.2F687 F695 F696 C697 A698 V705 Y709 Y769 A771 W796F687-F749 HydrophobicContact CD1-CD2 4.48Å; F687-F749 AromaticContact CE1-CD2 3.65Å; F687-F749 HydrophobicContact CE1-CD2 3.65Å; F687-F749 AromaticContact CE1-CE2 3.75Å; F687-F749 HydrophobicContact CE1-CE2 3.75Å; F687-F749 HydrophobicContact CZ-CD2 4.03Å; F687-F749 AromaticContact CZ-CE2 3.8Å; F687-F749 HydrophobicContact CZ-CE2 3.8Å; F695-F749 HydrophobicContact CE1-CB 3.97Å; F695-F749 HydrophobicContact CZ-CB 3.97Å; F695-F749 HydrophobicContact CZ-CD2 4.49Å; F696-F749 PolarHBondContact O-N 3.33Å; C697-F749 CarbonylContact C-O 3.49Å; C697-F749 WeakPolarHBondContact CA-O 3.34Å; C697-F749 HydrophobicContact CB-CB 4.11Å; A698-F749 PolarHBondContact N-O 3.2Å; V705-F749 HydrophobicContact CG2-CD1 3.8Å; V705-F749 HydrophobicContact CG2-CE1 3.43Å; V705-F749 VanDerWaalsContact CG2-CE1 3.43Å; V705-F749 HydrophobicContact CG2-CZ 3.99Å; Y709-F749 HydrophobicContact CD2-CE2 4.48Å; F749-Y769 CarbonylContact C-O 3.59Å; F749-Y769 VanDerWaalsContact CA-O 3.32Å; F749-Y769 WeakPolarHBondContact CA-O 3.4Å; F749-A771 HydrophobicContact CE1-CB 3.83Å; F749-A771 HydrophobicContact CE2-CB 4.46Å; F749-A771 HydrophobicContact CZ-CB 3.43Å; F749-A771 VanDerWaalsContact CZ-CB 3.43Å; F749-W796 HydrophobicContact CE2-CZ2 4.22Å; F749-W796 AromaticContact CZ-CZ2 3.8Å; F749-W796 HydrophobicContact CZ-CZ2 3.8Å; F749-W796 AromaticContact CZ-NE1 3.97Å
750S89.9Confident82.2Confident2 Ų247.7 Ų47.71%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-152.8-176.6175.1-159.30000112.7Y769 L770 A771S750-Y769 PolarHBondContact N-O 3.45Å; S750-L770 VanDerWaalsContact O-CA 3.31Å; S750-L770 WeakPolarHBondContact O-CA 3.2Å; S750-A771 PolarHBondContact O-N 3.03Å; S750-A771 VanDerWaalsContact O-N 3.1Å
751A84.6Confident80.7Confident18 Ų1851.1 Ų51.115%0.14924%0.242CC..  trans-96.8145.2169.300000110.5T753 A754 I755 A771A751-T753 VanDerWaalsContact C-N 3.29Å; A751-T753 PolarHBondContact O-N 2.99Å; A751-A754 PolarHBondContact O-N 3.48Å; A751-I755 PolarHBondContact O-N 3.27Å; A751-A771 WeakPolarHBondContact CA-O 3.27Å
752P80.9Confident79.1Confident0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-45.6-46.9174.6-3134.7000114.5A754 I755 R756 L770 E773 L775 T779P752-A754 VanDerWaalsContact C-N 3.31Å; P752-A754 PolarHBondContact O-N 3.35Å; P752-I755 PolarHBondContact O-N 3.28Å; P752-I755 VanDerWaalsContact O-N 3.12Å; P752-R756 PolarHBondContact O-N 2.92Å; P752-L770 HydrophobicContact CG-CB 4.19Å; P752-L770 HydrophobicContact CG-CD1 4.44Å; P752-E773 HydrophobicContact CB-CG 4.16Å; P752-E773 HydrophobicContact CG-CG 3.82Å; P752-L775 HydrophobicContact CB-CD1 4.15Å; P752-L775 HydrophobicContact CG-CB 4.25Å; P752-L775 HydrophobicContact CG-CD1 4.05Å; P752-T779 HydrophobicContact CB-CG2 4.38Å
753T71.1Confident77.4Confident24 Ų2447 Ų4715%0.14724%0.238CC..Hα-helixtrans-56.1-44.6177.7-670000111.8A751 I755 R756 E773A751-T753 VanDerWaalsContact C-N 3.29Å; A751-T753 PolarHBondContact O-N 2.99Å; T753-I755 VanDerWaalsContact C-N 3.29Å; T753-I755 PolarHBondContact O-N 3.47Å; T753-R756 PolarHBondContact O-N 2.68Å; T753-R756 PolarHBondContact OG1-NH2 2.57Å; T753-E773 WeakPolarHBondContact CA-OE1 3.36Å; T753-E773 WeakPolarHBondContact CB-OE1 3.28Å; T753-E773 PolarHBondContact N-OE1 3.3Å; T753-E773 VanDerWaalsContact OG1-CD 3.23Å; T753-E773 PolarHBondContact OG1-OE1 2.9Å; T753-E773 PolarHBondContact OG1-OE2 2.86Å; T753-E773 VanDerWaalsContact OG1-OE2 3.14Å
754A77.2Confident75.8Confident19 Ų1948.3 Ų48.316%0.15726%0.255CS..Hα-helixtrans-69.4-31.1-178.100000111.8W736 A751 P752 V757 L758W736-A754 HydrophobicContact CH2-CB 3.73Å; W736-A754 HydrophobicContact CZ3-CB 3.82Å; A751-A754 PolarHBondContact O-N 3.48Å; P752-A754 VanDerWaalsContact C-N 3.31Å; P752-A754 PolarHBondContact O-N 3.35Å; A754-V757 WeakPolarHBondContact O-CG2 3.32Å; A754-L758 WeakPolarHBondContact O-CG 3.38Å
755I79.9Confident74.9Confident2 Ų251.1 Ų51.11%0.0127%0.268CS..Hα-helixtrans-73.4-37.7175.3-63.9-59.7000111.9M748 A751 P752 T753 V757 L758 L768 L770 W782 V783M748-I755 HydrophobicContact CE-CD1 4.42Å; A751-I755 PolarHBondContact O-N 3.27Å; P752-I755 PolarHBondContact O-N 3.28Å; P752-I755 VanDerWaalsContact O-N 3.12Å; T753-I755 VanDerWaalsContact C-N 3.29Å; T753-I755 PolarHBondContact O-N 3.47Å; I755-V757 PolarHBondContact O-N 3.15Å; I755-L758 HydrophobicContact CD1-CD1 3.71Å; I755-L758 WeakPolarHBondContact O-CB 3.46Å; I755-L758 PolarHBondContact O-N 3.31Å; I755-L758 VanDerWaalsContact O-N 3.11Å; I755-L768 HydrophobicContact CD1-CD1 4.11Å; I755-L768 HydrophobicContact CD1-CD2 4.25Å; I755-L768 HydrophobicContact CG1-CD2 4.41Å; I755-L768 HydrophobicContact CG2-CD2 4.48Å; I755-L770 HydrophobicContact CG1-CD2 3.63Å; I755-W782 HydrophobicContact CG2-CZ3 4.01Å; I755-V783 HydrophobicContact CG2-CG1 4.3Å; I755-V783 HydrophobicContact CG2-CG2 3.38Å
756R77.6Confident74.4Confident67 Ų6751.1 Ų51.125%0.25327%0.268SS..Hα-helixtrans-57.5-29.9178.2-75.6-166.9-70.5-87.37113.9P752 T753 D776 T779 E931P752-R756 PolarHBondContact O-N 2.92Å; T753-R756 PolarHBondContact O-N 2.68Å; T753-R756 PolarHBondContact OG1-NH2 2.57Å; R756-D776 IonicContact NH1-OD2 2.69Å; R756-D776 PolarHBondContact NH1-OD2 3.47Å; R756-T779 WeakPolarHBondContact CD-OG1 3.37Å; R756-T779 HydrophobicContact CG-CG2 3.82Å; R756-T779 PolarHBondContact NH1-OG1 3.15Å; R756-E931 IonicContact CZ-OE1 3.2Å; R756-E931 IonicContact NH2-OE1 2.67Å; R756-E931 PolarHBondContact NH2-OE1 3.43Å
757V75.3Confident74.2Confident64 Ų6451.1 Ų51.139%0.38827%0.265SS..THydrogen-bonded Turntrans-87.1-6.2-178.2-60.10000113.9P728 T729 A754 I755P728-V757 HydrophobicContact CB-CG2 4.07Å; P728-V757 HydrophobicContact CG-CG2 3.69Å; T729-V757 HydrophobicContact CG2-CB 3.95Å; T729-V757 HydrophobicContact CG2-CG2 3.96Å; A754-V757 WeakPolarHBondContact O-CG2 3.32Å; I755-V757 PolarHBondContact O-N 3.15Å
758L74.6Confident74.1Confident5 Ų548.6 Ų48.63%0.02626%0.255CS..PPolyproline II helixtrans-79.7139.6176.2-59.7173.1000110.1P728 W736 W737 A754 I755 W782P728-L758 HydrophobicContact CB-CD2 3.78Å; W736-L758 HydrophobicContact CB-CD2 4.34Å; W736-L758 HydrophobicContact CD2-CD2 4.26Å; W736-L758 HydrophobicContact CE3-CD1 3.78Å; W736-L758 HydrophobicContact CE3-CD2 3.95Å; W736-L758 HydrophobicContact CE3-CG 4.35Å; W736-L758 HydrophobicContact CG-CD2 4.45Å; W736-L758 HydrophobicContact CZ3-CD1 4.37Å; W737-L758 HydrophobicContact CH2-CD1 4.27Å; W737-L758 HydrophobicContact CZ2-CB 4.2Å; W737-L758 HydrophobicContact CZ2-CD1 3.61Å; A754-L758 WeakPolarHBondContact O-CG 3.38Å; I755-L758 HydrophobicContact CD1-CD1 3.71Å; I755-L758 WeakPolarHBondContact O-CB 3.46Å; I755-L758 PolarHBondContact O-N 3.31Å; I755-L758 VanDerWaalsContact O-N 3.11Å; L758-W782 WeakPolarHBondContact O-CH2 3.13Å
759K63.7Low74.1Confident142 Ų14248.7 Ų48.762%0.61726%0.256SS*.PPolyproline II helixtrans-84.8155169.8-74.8-174.5177.8-179.30110C733 W737 F761C733-K759 HydrophobicContact CB-CB 4.11Å; C733-K759 HydrophobicContact CB-CD 4.3Å; C733-K759 HydrophobicContact CB-CG 3.88Å; C733-K759 PolarHBondContact O-N 2.95Å; W737-K759 PolarHBondContact NE1-O 2.92Å; K759-F761 HydrophobicContact CB-CE2 4.41Å; K759-F761 PolarHBondContact O-N 3.29Å
760K59Low73.9Confident146 Ų14648.5 Ų48.564%0.63526%0.255SS*.PPolyproline II helixtrans-59.6127.1172.7-174.4178.6-172.7161.40110T786K760-T786 HydrophobicContact CB-CG2 3.79Å; K760-T786 HydrophobicContact CD-CG2 3.83Å; K760-T786 VanDerWaalsContact CE-O 3.24Å; K760-T786 WeakPolarHBondContact CE-O 3.28Å; K760-T786 HydrophobicContact CG-CG2 3.7Å; K760-T786 PolarHBondContact NZ-O 3.48Å
761F59.1Low73.8Confident77 Ų7748.7 Ų48.734%0.33826%0.256SS..  trans-125.1150.9162.6-82.4-98.4000108W737 K759 T763W737-F761 HydrophobicContact CB-CB 3.93Å; W737-F761 HydrophobicContact CB-CG 4.28Å; W737-F761 AromaticContact CD1-CD2 3.57Å; W737-F761 HydrophobicContact CG-CB 4.01Å; W737-F761 HydrophobicContact CG-CD2 4.37Å; W737-F761 HydrophobicContact CG-CG 4.46Å; K759-F761 HydrophobicContact CB-CE2 4.41Å; K759-F761 PolarHBondContact O-N 3.29Å; F761-T763 PolarHBondContact O-N 3.32Å
762P53Low73.3Confident128 Ų12851.2 Ų51.283%0.83129%0.285SS*.  trans-63.6107.1171.525-29.9000108.4
763T55.3Low72.9Confident37 Ų3753 Ų5323%0.22729%0.293CS..  trans-107.1148.5-176.547.70000110.9W737 F761W737-T763 HydrophobicContact CB-CG2 4.29Å; W737-T763 HydrophobicContact CD2-CG2 3.7Å; W737-T763 HydrophobicContact CE3-CG2 3.38Å; W737-T763 HydrophobicContact CG-CG2 4.12Å; W737-T763 HydrophobicContact CZ3-CG2 3.95Å; F761-T763 PolarHBondContact O-N 3.32Å
764A54.8Low73Confident55 Ų5554.9 Ų54.946%0.45531%0.306SS..  trans-67169.1170.800000112.1I766A764-I766 PolarHBondContact O-N 2.94Å
765E67.6Low73Confident194 Ų19454.5 Ų54.591%0.90730%0.301SS*.SBendtrans-5994.4174.3-66.2179.3176.700111.4
766I77.3Confident72.7Confident5 Ų555.9 Ų55.93%0.02631%0.308CS..  trans-113154.1173.268.4169.8000110.9W737 V740 V745 M748 A764 V789W737-I766 HydrophobicContact CZ3-CD1 3.81Å; V740-I766 HydrophobicContact CG1-CG2 3.79Å; V745-I766 WeakPolarHBondContact O-CG2 3.43Å; M748-I766 HydrophobicContact CB-CD1 4.37Å; A764-I766 PolarHBondContact O-N 2.94Å; I766-V789 HydrophobicContact CG1-CG1 4.23Å; I766-V789 VanDerWaalsContact O-CB 3.28Å; I766-V789 WeakPolarHBondContact O-CB 3.41Å; I766-V789 VanDerWaalsContact O-CG1 3.25Å; I766-V789 WeakPolarHBondContact O-CG1 3.18Å
767L82.1Confident72.6Confident32 Ų3258 Ų5817%0.16832%0.321CS..EExtended strand (participates in β ladder)trans-101.2127.9163-73.4169.2000109.5S746 M748 Y769 P790S746-L767 PolarHBondContact O-N 3.14Å; M748-L767 PolarHBondContact N-O 3.32Å; L767-Y769 HydrophobicContact CB-CE2 3.78Å; L767-P790 HydrophobicContact CD2-CB 4.03Å; L767-P790 HydrophobicContact CD2-CG 3.92Å
768L88.4Confident72.6Confident0 Ų057.8 Ų57.80%032%0.321CS..EExtended strand (participates in β ladder)trans-109123.8-176-179.760.7000111.1M748 I755 L770 V783 L787 V789 I792M748-L768 HydrophobicContact CB-CD1 4.03Å; M748-L768 HydrophobicContact CG-CD1 4.02Å; M748-L768 WeakPolarHBondContact O-CA 3.12Å; M748-L768 HydrophobicContact SD-CD1 4.36Å; I755-L768 HydrophobicContact CD1-CD1 4.11Å; I755-L768 HydrophobicContact CD1-CD2 4.25Å; I755-L768 HydrophobicContact CG1-CD2 4.41Å; I755-L768 HydrophobicContact CG2-CD2 4.48Å; L768-L770 HydrophobicContact CD1-CD2 3.99Å; L768-L770 HydrophobicContact CD2-CD2 4.27Å; L768-L770 HydrophobicContact CG-CD2 3.95Å; L768-L770 HydrophobicContact CG-CG 4.36Å; L768-V783 HydrophobicContact CD2-CG1 3.5Å; L768-V783 VanDerWaalsContact CD2-CG1 3.5Å; L768-L787 HydrophobicContact CD2-CD1 4.1Å; L768-V789 HydrophobicContact CB-CG2 4.38Å; L768-I792 PolarHBondContact O-N 3.16Å
769Y91.6Very high72.7Confident2 Ų257.9 Ų57.91%0.00832%0.322CS..EExtended strand (participates in β ladder)trans-111.9130.1179.1-59-93.7000109.9I686 F687 M748 F749 S750 L767 I792I686-Y769 WeakPolarHBondContact O-CE1 3.47Å; I686-Y769 PolarHBondContact O-OH 2.89Å; F687-Y769 WeakPolarHBondContact CA-OH 3.46Å; F687-Y769 HydrophobicContact CB-CE2 4.43Å; F687-Y769 AromaticContact CD1-CD1 3.43Å; F687-Y769 HydrophobicContact CD1-CD1 3.43Å; F687-Y769 VanDerWaalsContact CD1-CD1 3.43Å; F687-Y769 AromaticContact CD1-CD2 3.77Å; F687-Y769 HydrophobicContact CD1-CD2 3.77Å; F687-Y769 AromaticContact CD1-CE1 3.63Å; F687-Y769 HydrophobicContact CD1-CE1 3.63Å; F687-Y769 AromaticContact CD1-CE2 3.98Å; F687-Y769 HydrophobicContact CD1-CE2 3.98Å; F687-Y769 AromaticContact CD1-CG 3.5Å; F687-Y769 HydrophobicContact CD1-CG 3.5Å; F687-Y769 AromaticContact CD1-CZ 3.93Å; F687-Y769 AromaticContact CE1-CD1 3.64Å; F687-Y769 HydrophobicContact CE1-CD1 3.64Å; F687-Y769 HydrophobicContact CE1-CD2 4.39Å; F687-Y769 HydrophobicContact CE1-CE1 4.25Å; F687-Y769 AromaticContact CE1-CG 3.73Å; F687-Y769 HydrophobicContact CE1-CG 3.73Å; F687-Y769 HydrophobicContact CG-CE1 4.5Å; F687-Y769 PolarHBondContact O-OH 3.39Å; M748-Y769 WeakPolarHBondContact O-CD2 3.22Å; M748-Y769 PolarHBondContact O-N 2.78Å; F749-Y769 CarbonylContact C-O 3.59Å; F749-Y769 VanDerWaalsContact CA-O 3.32Å; F749-Y769 WeakPolarHBondContact CA-O 3.4Å; S750-Y769 PolarHBondContact N-O 3.45Å; L767-Y769 HydrophobicContact CB-CE2 3.78Å; Y769-I792 WeakPolarHBondContact CA-O 3.2Å; Y769-I792 HydrophobicContact CD1-CB 3.77Å; Y769-I792 HydrophobicContact CD1-CD1 4.11Å; Y769-I792 HydrophobicContact CD1-CG2 3.98Å; Y769-I792 HydrophobicContact CE1-CB 4Å; Y769-I792 HydrophobicContact CE1-CD1 3.44Å; Y769-I792 VanDerWaalsContact CE1-CD1 3.44Å; Y769-I792 HydrophobicContact CE1-CG1 4.31Å; Y769-I792 HydrophobicContact CE1-CG2 4.16Å
770L89.6Confident73.4Confident0 Ų051.6 Ų51.60%030%0.296CS..EExtended strand (participates in β ladder)trans-118.7135.2-177.4-57.6-177.3000111.1S750 P752 I755 L768 L775 V791 I792 N794S750-L770 VanDerWaalsContact O-CA 3.31Å; S750-L770 WeakPolarHBondContact O-CA 3.2Å; P752-L770 HydrophobicContact CG-CB 4.19Å; P752-L770 HydrophobicContact CG-CD1 4.44Å; I755-L770 HydrophobicContact CG1-CD2 3.63Å; L768-L770 HydrophobicContact CD1-CD2 3.99Å; L768-L770 HydrophobicContact CD2-CD2 4.27Å; L768-L770 HydrophobicContact CG-CD2 3.95Å; L768-L770 HydrophobicContact CG-CG 4.36Å; L770-L775 HydrophobicContact CD1-CD1 3.63Å; L770-L775 HydrophobicContact CD1-CD2 4.05Å; L770-L775 HydrophobicContact CD1-CG 4.42Å; L770-V791 HydrophobicContact CD1-CG1 3.51Å; L770-V791 HydrophobicContact CG-CG1 3.93Å; L770-I792 PolarHBondContact N-O 2.65Å; L770-N794 PolarHBondContact O-N 3.5Å; L770-N794 PolarHBondContact O-ND2 2.94Å
771A86.8Confident74.4Confident5 Ų546.4 Ų46.44%0.04128%0.278CS..  trans-160.6-178.5173.800000111.7F749 S750 A751 E773 N794F749-A771 HydrophobicContact CE1-CB 3.83Å; F749-A771 HydrophobicContact CE2-CB 4.46Å; F749-A771 HydrophobicContact CZ-CB 3.43Å; F749-A771 VanDerWaalsContact CZ-CB 3.43Å; S750-A771 PolarHBondContact O-N 3.03Å; S750-A771 VanDerWaalsContact O-N 3.1Å; A751-A771 WeakPolarHBondContact CA-O 3.27Å; A771-E773 VanDerWaalsContact C-N 3.29Å; A771-N794 VanDerWaalsContact CB-O 3.3Å; A771-N794 WeakPolarHBondContact CB-O 3.2Å; A771-N794 WeakPolarHBondContact CB-OD1 3.42Å
772G74.4Confident75.3Confident72 Ų7247.6 Ų47.674%0.74228%0.281SS*.SBendtrans96-2317800000113
773E72.5Confident76.5Confident36 Ų3641.6 Ų41.617%0.16824%0.241CC..SBendtrans-150.7161.1169.159.5-177.4158.400109P752 T753 A771 L775P752-E773 HydrophobicContact CB-CG 4.16Å; P752-E773 HydrophobicContact CG-CG 3.82Å; T753-E773 WeakPolarHBondContact CA-OE1 3.36Å; T753-E773 WeakPolarHBondContact CB-OE1 3.28Å; T753-E773 PolarHBondContact N-OE1 3.3Å; T753-E773 VanDerWaalsContact OG1-CD 3.23Å; T753-E773 PolarHBondContact OG1-OE1 2.9Å; T753-E773 PolarHBondContact OG1-OE2 2.86Å; T753-E773 VanDerWaalsContact OG1-OE2 3.14Å; A771-E773 VanDerWaalsContact C-N 3.29Å; E773-L775 PolarHBondContact O-N 2.88Å
774P73.2Confident77.6Confident65 Ų6542.1 Ų42.142%0.42225%0.247SC..  trans-47.7132.8168.8-34.741.5000113.9
775L78.2Confident78.8Confident10 Ų1045.7 Ų45.75%0.05226%0.258CS..  trans-85.2110.4165.9178.561000109.7P752 L770 E773 T779 A780 V791 D793P752-L775 HydrophobicContact CB-CD1 4.15Å; P752-L775 HydrophobicContact CG-CB 4.25Å; P752-L775 HydrophobicContact CG-CD1 4.05Å; L770-L775 HydrophobicContact CD1-CD1 3.63Å; L770-L775 HydrophobicContact CD1-CD2 4.05Å; L770-L775 HydrophobicContact CD1-CG 4.42Å; E773-L775 PolarHBondContact O-N 2.88Å; L775-T779 HydrophobicContact CD1-CG2 3.82Å; L775-A780 HydrophobicContact CD1-CB 4.19Å; L775-A780 HydrophobicContact CD2-CB 3.79Å; L775-A780 HydrophobicContact CG-CB 3.89Å; L775-V791 HydrophobicContact CD2-CG1 3.79Å; L775-D793 HydrophobicContact CB-CB 4.21Å; L775-D793 HydrophobicContact CD2-CB 3.95Å
776D73.2Confident79.2Confident31 Ų3137.7 Ų37.717%0.16622%0.222CC..  trans-73.5149.5173.562.694.5000111.7R756 P778 T779 A780R756-D776 IonicContact NH1-OD2 2.69Å; R756-D776 PolarHBondContact NH1-OD2 3.47Å; D776-P778 WeakPolarHBondContact OD1-CD 3.5Å; D776-T779 PolarHBondContact O-N 2.67Å; D776-T779 VanDerWaalsContact OD1-CB 3.25Å; D776-T779 WeakPolarHBondContact OD1-CB 3.42Å; D776-T779 PolarHBondContact OD1-N 3.26Å; D776-T779 PolarHBondContact OD1-OG1 3.37Å; D776-T779 WeakPolarHBondContact OD2-CB 3.47Å; D776-T779 PolarHBondContact OD2-OG1 3.36Å; D776-A780 WeakPolarHBondContact O-CB 3.27Å; D776-A780 PolarHBondContact O-N 3.37Å
777E74.7Confident79Confident111 Ų11138.3 Ų38.352%0.51923%0.226SC..Hα-helixtrans-57-43.8-179.9166.4174.3-162.100113.7T779 A780 S781 L818E777-T779 PolarHBondContact O-N 2.82Å; E777-A780 PolarHBondContact O-N 2.83Å; E777-S781 VanDerWaalsContact O-CB 3.29Å; E777-S781 WeakPolarHBondContact O-CB 3.47Å; E777-S781 PolarHBondContact O-N 3.34Å; E777-S781 PolarHBondContact O-OG 2.93Å; E777-L818 HydrophobicContact CB-CB 4.32Å; E777-L818 HydrophobicContact CG-CB 4.26Å; E777-L818 HydrophobicContact CG-CD1 3.96Å; E777-L818 HydrophobicContact CG-CD2 4.29Å; E777-L818 HydrophobicContact CG-CG 4.39Å
778P76.3Confident78.8Confident61 Ų6144 Ų4440%0.39626%0.257SS..Hα-helixtrans-58.1-45.8175.6-26.835.2000113D776 W782D776-P778 WeakPolarHBondContact OD1-CD 3.5Å; P778-W782 VanDerWaalsContact O-CB 3.23Å; P778-W782 WeakPolarHBondContact O-CB 3.08Å; P778-W782 PolarHBondContact O-N 2.9Å
779T75.7Confident78.1Confident7 Ų744.4 Ų44.44%0.04326%0.259CS..Hα-helixtrans-64.6-47.7176.8-60.90000110.6P752 R756 L775 D776 E777 S781 W782 V783P752-T779 HydrophobicContact CB-CG2 4.38Å; R756-T779 WeakPolarHBondContact CD-OG1 3.37Å; R756-T779 HydrophobicContact CG-CG2 3.82Å; R756-T779 PolarHBondContact NH1-OG1 3.15Å; L775-T779 HydrophobicContact CD1-CG2 3.82Å; D776-T779 PolarHBondContact O-N 2.67Å; D776-T779 VanDerWaalsContact OD1-CB 3.25Å; D776-T779 WeakPolarHBondContact OD1-CB 3.42Å; D776-T779 PolarHBondContact OD1-N 3.26Å; D776-T779 PolarHBondContact OD1-OG1 3.37Å; D776-T779 WeakPolarHBondContact OD2-CB 3.47Å; D776-T779 PolarHBondContact OD2-OG1 3.36Å; E777-T779 PolarHBondContact O-N 2.82Å; T779-S781 VanDerWaalsContact C-N 3.34Å; T779-S781 PolarHBondContact O-N 3.01Å; T779-W782 PolarHBondContact O-N 2.68Å; T779-V783 HydrophobicContact CG2-CG2 4.15Å; T779-V783 WeakPolarHBondContact O-CB 3.25Å; T779-V783 VanDerWaalsContact O-CG2 3.22Å; T779-V783 WeakPolarHBondContact O-CG2 3.31Å; T779-V783 PolarHBondContact O-N 2.81Å
780A78.9Confident77.3Confident9 Ų946.8 Ų46.87%0.07427%0.274CS..Hα-helixtrans-55.6-49177.400000112L775 D776 E777 V783 S784 L818L775-A780 HydrophobicContact CD1-CB 4.19Å; L775-A780 HydrophobicContact CD2-CB 3.79Å; L775-A780 HydrophobicContact CG-CB 3.89Å; D776-A780 WeakPolarHBondContact O-CB 3.27Å; D776-A780 PolarHBondContact O-N 3.37Å; E777-A780 PolarHBondContact O-N 2.83Å; A780-V783 PolarHBondContact O-N 3.21Å; A780-S784 VanDerWaalsContact O-CB 3.27Å; A780-S784 WeakPolarHBondContact O-CB 3.44Å; A780-S784 PolarHBondContact O-N 3.13Å; A780-L818 HydrophobicContact CB-CD2 3.65Å
781S79.8Confident77Confident37 Ų3747.3 Ų47.326%0.25928%0.278SS..Hα-helixtrans-65.3-44.5-179.7-59.60000111.4E777 T779 N785E777-S781 VanDerWaalsContact O-CB 3.29Å; E777-S781 WeakPolarHBondContact O-CB 3.47Å; E777-S781 PolarHBondContact O-N 3.34Å; E777-S781 PolarHBondContact O-OG 2.93Å; T779-S781 VanDerWaalsContact C-N 3.34Å; T779-S781 PolarHBondContact O-N 3.01Å; S781-N785 WeakPolarHBondContact O-CB 3.23Å; S781-N785 PolarHBondContact O-N 3.19Å; S781-N785 PolarHBondContact O-ND2 2.92Å; S781-N785 VanDerWaalsContact O-ND2 3.11Å
782W78.4Confident77.1Confident103 Ų10347.1 Ų47.139%0.3928%0.276SS..Hα-helixtrans-60.6-49.3177.2172.474000111.4I755 L758 P778 T779 N785 T786I755-W782 HydrophobicContact CG2-CZ3 4.01Å; L758-W782 WeakPolarHBondContact O-CH2 3.13Å; P778-W782 VanDerWaalsContact O-CB 3.23Å; P778-W782 WeakPolarHBondContact O-CB 3.08Å; P778-W782 PolarHBondContact O-N 2.9Å; T779-W782 PolarHBondContact O-N 2.68Å; W782-N785 PolarHBondContact O-N 2.84Å; W782-T786 HydrophobicContact CZ2-CG2 4.33Å; W782-T786 PolarHBondContact NE1-OG1 2.85Å; W782-T786 WeakPolarHBondContact O-CA 3.36Å; W782-T786 WeakPolarHBondContact O-CB 3.43Å; W782-T786 PolarHBondContact O-N 3.21Å; W782-T786 PolarHBondContact O-OG1 2.97Å
783V77.3Confident77.9Confident1 Ų144.5 Ų44.51%0.00625%0.245CC..Hα-helixtrans-63-49.1-179.61770000110.6I755 L768 T779 A780 N785 T786 L787 V791I755-V783 HydrophobicContact CG2-CG1 4.3Å; I755-V783 HydrophobicContact CG2-CG2 3.38Å; L768-V783 HydrophobicContact CD2-CG1 3.5Å; L768-V783 VanDerWaalsContact CD2-CG1 3.5Å; T779-V783 HydrophobicContact CG2-CG2 4.15Å; T779-V783 WeakPolarHBondContact O-CB 3.25Å; T779-V783 VanDerWaalsContact O-CG2 3.22Å; T779-V783 WeakPolarHBondContact O-CG2 3.31Å; T779-V783 PolarHBondContact O-N 2.81Å; A780-V783 PolarHBondContact O-N 3.21Å; V783-N785 PolarHBondContact O-N 3.28Å; V783-T786 PolarHBondContact O-N 3.11Å; V783-L787 HydrophobicContact CG1-CD1 3.75Å; V783-L787 HydrophobicContact CG1-CG 4.41Å; V783-L787 WeakPolarHBondContact O-CB 3.46Å; V783-L787 PolarHBondContact O-N 2.63Å; V783-V791 HydrophobicContact CB-CG2 3.87Å; V783-V791 HydrophobicContact CG1-CG2 3.37Å
784S79.5Confident78.9Confident49 Ų4942.9 Ų42.934%0.34324%0.238SC..Hα-helixtrans-59.4-45.2-179.9-166.90000111.6A780 D788A780-S784 VanDerWaalsContact O-CB 3.27Å; A780-S784 WeakPolarHBondContact O-CB 3.44Å; A780-S784 PolarHBondContact O-N 3.13Å; S784-D788 VanDerWaalsContact O-CA 3.3Å; S784-D788 WeakPolarHBondContact O-CA 3.15Å; S784-D788 PolarHBondContact O-N 3.38Å
785N79.6Confident79.9Confident129 Ų12941.1 Ų41.169%0.6922%0.223SC*.Hα-helixtrans-74.1-31.1-179.9-67-23.2000113S781 W782 V783S781-N785 WeakPolarHBondContact O-CB 3.23Å; S781-N785 PolarHBondContact O-N 3.19Å; S781-N785 PolarHBondContact O-ND2 2.92Å; S781-N785 VanDerWaalsContact O-ND2 3.11Å; W782-N785 PolarHBondContact O-N 2.84Å; V783-N785 PolarHBondContact O-N 3.28Å
786T74.7Confident80.7Confident26 Ų2642.1 Ų42.116%0.1623%0.226CC..Hα-helixtrans-80.4-42.1-174.8-63.90000111.9K760 W782 V783K760-T786 HydrophobicContact CB-CG2 3.79Å; K760-T786 HydrophobicContact CD-CG2 3.83Å; K760-T786 VanDerWaalsContact CE-O 3.24Å; K760-T786 WeakPolarHBondContact CE-O 3.28Å; K760-T786 HydrophobicContact CG-CG2 3.7Å; K760-T786 PolarHBondContact NZ-O 3.48Å; W782-T786 HydrophobicContact CZ2-CG2 4.33Å; W782-T786 PolarHBondContact NE1-OG1 2.85Å; W782-T786 WeakPolarHBondContact O-CA 3.36Å; W782-T786 WeakPolarHBondContact O-CB 3.43Å; W782-T786 PolarHBondContact O-N 3.21Å; W782-T786 PolarHBondContact O-OG1 2.97Å; V783-T786 PolarHBondContact O-N 3.11Å
787L74.4Confident81.6Confident18 Ų1842 Ų429%0.09422%0.224CC..Hα-helixtrans-94.7-15.1-176.6-61.4-178.3000112.9W737 L768 V783 V789W737-L787 HydrophobicContact CH2-CD1 3.61Å; W737-L787 HydrophobicContact CH2-CD2 3.99Å; W737-L787 HydrophobicContact CH2-CG 4.48Å; W737-L787 HydrophobicContact CZ2-CD1 4.15Å; W737-L787 HydrophobicContact CZ2-CD2 3.98Å; W737-L787 HydrophobicContact CZ3-CD1 4.48Å; L768-L787 HydrophobicContact CD2-CD1 4.1Å; V783-L787 HydrophobicContact CG1-CD1 3.75Å; V783-L787 HydrophobicContact CG1-CG 4.41Å; V783-L787 WeakPolarHBondContact O-CB 3.46Å; V783-L787 PolarHBondContact O-N 2.63Å; L787-V789 HydrophobicContact CB-CB 4.48Å; L787-V789 HydrophobicContact CB-CG1 4.36Å; L787-V789 HydrophobicContact CB-CG2 3.68Å; L787-V789 HydrophobicContact CD1-CG2 4.15Å; L787-V789 WeakPolarHBondContact O-CG1 3.44Å; L787-V789 PolarHBondContact O-N 3.31Å
788D77.4Confident82.3Confident153 Ų15338 Ų3882%0.81821%0.207SC*.  trans54.336.4-172.7-159.630.5000112.2S784S784-D788 VanDerWaalsContact O-CA 3.3Å; S784-D788 WeakPolarHBondContact O-CA 3.15Å; S784-D788 PolarHBondContact O-N 3.38Å
789V73.9Confident83.2Confident8 Ų836 Ų365%0.04819%0.193CC..SBendtrans-124.6145.5178.7-56.90000111.5I766 L768 L787 V791I766-V789 HydrophobicContact CG1-CG1 4.23Å; I766-V789 VanDerWaalsContact O-CB 3.28Å; I766-V789 WeakPolarHBondContact O-CB 3.41Å; I766-V789 VanDerWaalsContact O-CG1 3.25Å; I766-V789 WeakPolarHBondContact O-CG1 3.18Å; L768-V789 HydrophobicContact CB-CG2 4.38Å; L787-V789 HydrophobicContact CB-CB 4.48Å; L787-V789 HydrophobicContact CB-CG1 4.36Å; L787-V789 HydrophobicContact CB-CG2 3.68Å; L787-V789 HydrophobicContact CD1-CG2 4.15Å; L787-V789 WeakPolarHBondContact O-CG1 3.44Å; L787-V789 PolarHBondContact O-N 3.31Å; V789-V791 PolarHBondContact O-N 2.93Å
790P74.3Confident84.1Confident51 Ų5135.9 Ų35.933%0.33119%0.192SC..  trans-61.5125.5171.6-19.130.2000111.3L767L767-P790 HydrophobicContact CD2-CB 4.03Å; L767-P790 HydrophobicContact CD2-CG 3.92Å
791V83.9Confident84.8Confident12 Ų1235.4 Ų35.47%0.07319%0.188CC..EExtended strand (participates in β ladder)trans-96.6127.4171.2-176.70000109L770 L775 V783 V789L770-V791 HydrophobicContact CD1-CG1 3.51Å; L770-V791 HydrophobicContact CG-CG1 3.93Å; L775-V791 HydrophobicContact CD2-CG1 3.79Å; V783-V791 HydrophobicContact CB-CG2 3.87Å; V783-V791 HydrophobicContact CG1-CG2 3.37Å; V789-V791 PolarHBondContact O-N 2.93Å
792I89.1Confident85.6Confident0 Ų034 Ų340%018%0.177CC..EExtended strand (participates in β ladder)trans-116.3109.9179.2-58.9165.8000108.6L768 Y769 L770 R809L768-I792 PolarHBondContact O-N 3.16Å; Y769-I792 WeakPolarHBondContact CA-O 3.2Å; Y769-I792 HydrophobicContact CD1-CB 3.77Å; Y769-I792 HydrophobicContact CD1-CD1 4.11Å; Y769-I792 HydrophobicContact CD1-CG2 3.98Å; Y769-I792 HydrophobicContact CE1-CB 4Å; Y769-I792 HydrophobicContact CE1-CD1 3.44Å; Y769-I792 VanDerWaalsContact CE1-CD1 3.44Å; Y769-I792 HydrophobicContact CE1-CG1 4.31Å; Y769-I792 HydrophobicContact CE1-CG2 4.16Å; L770-I792 PolarHBondContact N-O 2.65Å; I792-R809 HydrophobicContact CD1-CG 3.94Å
793D91.3Very high86.5Confident17 Ų1729 Ų299%0.09116%0.158CC..EExtended strand (participates in β ladder)trans-73.3147.1168.2-171.516.2000110L775L775-D793 HydrophobicContact CB-CB 4.21Å; L775-D793 HydrophobicContact CD2-CB 3.95Å
794N93.8Very high87.4Confident3 Ų329 Ų292%0.01616%0.158CC..  trans-147.5140.9175.261.199.3000111.6L770 A771 W796 P803 M805 A806L770-N794 PolarHBondContact O-N 3.5Å; L770-N794 PolarHBondContact O-ND2 2.94Å; A771-N794 VanDerWaalsContact CB-O 3.3Å; A771-N794 WeakPolarHBondContact CB-O 3.2Å; A771-N794 WeakPolarHBondContact CB-OD1 3.42Å; N794-W796 PolarHBondContact OD1-NE1 2.97Å; N794-P803 HydrophobicContact CB-CB 4.38Å; N794-P803 HydrophobicContact CB-CG 4.46Å; N794-M805 CarbonylContact C-O 3.52Å; N794-M805 VanDerWaalsContact CA-O 3.3Å; N794-M805 WeakPolarHBondContact CA-O 3.24Å; N794-M805 WeakPolarHBondContact CB-O 3.21Å; N794-A806 HydrophobicContact CB-CB 3.98Å
795Y94.5Very high88.2Confident27 Ų2726.7 Ų26.711%0.10614%0.142CC..BIsolated β-bridgetrans-117.7132.9-174.8164.6-89.7000111.9I804 M805 L849 D887 I899Y795-I804 HydrophobicContact CD1-CB 4.16Å; Y795-I804 HydrophobicContact CD1-CD1 4.46Å; Y795-I804 HydrophobicContact CE1-CB 4.37Å; Y795-I804 HydrophobicContact CE1-CD1 3.91Å; Y795-I804 PolarHBondContact O-N 3.29Å; Y795-M805 HydrophobicContact CD1-CE 3.35Å; Y795-M805 HydrophobicContact CE1-CE 3.87Å; Y795-M805 HydrophobicContact CG-CE 3.98Å; Y795-M805 PolarHBondContact N-O 3.1Å; Y795-M805 PolarHBondContact O-N 2.96Å; Y795-M805 VanDerWaalsContact O-N 3.13Å; Y795-L849 HydrophobicContact CD1-CD2 4.34Å; Y795-L849 HydrophobicContact CE1-CD2 3.52Å; Y795-D887 WeakPolarHBondContact CE2-OD2 3.35Å; Y795-D887 PolarHBondContact OH-OD2 3.17Å; Y795-I899 HydrophobicContact CD1-CD1 4.33Å; Y795-I899 HydrophobicContact CD2-CD1 4.06Å; Y795-I899 HydrophobicContact CD2-CG1 3.74Å; Y795-I899 HydrophobicContact CE1-CD1 4.36Å; Y795-I899 HydrophobicContact CE2-CD1 4.08Å; Y795-I899 HydrophobicContact CE2-CG1 4.12Å; Y795-I899 HydrophobicContact CE2-CG2 4.35Å; Y795-I899 HydrophobicContact CG-CD1 4.17Å; Y795-I899 HydrophobicContact CG-CG1 4.03Å
796W94.2Very high89Confident32 Ų3220.6 Ų20.612%0.12111%0.109CC..  trans-173.7175.2-178.651.5-51.9000112.5V704 V705 Y709 F749 N794 S800 G801 W802 P803 I804V704-W796 HydrophobicContact CG1-CH2 4.42Å; V704-W796 HydrophobicContact CG1-CZ3 4.11Å; V704-W796 HydrophobicContact CG2-CZ3 3.99Å; V705-W796 HydrophobicContact CB-CH2 4.14Å; V705-W796 HydrophobicContact CB-CZ2 4.12Å; V705-W796 HydrophobicContact CG2-CZ2 4.29Å; Y709-W796 AromaticContact CD2-CH2 3.4Å; Y709-W796 HydrophobicContact CD2-CH2 3.4Å; Y709-W796 AromaticContact CD2-CZ2 3.71Å; Y709-W796 HydrophobicContact CD2-CZ2 3.71Å; Y709-W796 HydrophobicContact CD2-CZ3 4.4Å; Y709-W796 AromaticContact CE2-CH2 3.15Å; Y709-W796 HydrophobicContact CE2-CH2 3.15Å; Y709-W796 AromaticContact CE2-CZ2 3.51Å; Y709-W796 HydrophobicContact CE2-CZ2 3.51Å; Y709-W796 AromaticContact CE2-CZ3 3.82Å; Y709-W796 HydrophobicContact CE2-CZ3 3.82Å; F749-W796 HydrophobicContact CE2-CZ2 4.22Å; F749-W796 AromaticContact CZ-CZ2 3.8Å; F749-W796 HydrophobicContact CZ-CZ2 3.8Å; F749-W796 AromaticContact CZ-NE1 3.97Å; N794-W796 PolarHBondContact OD1-NE1 2.97Å; W796-S800 WeakPolarHBondContact CB-OG 3.13Å; W796-G801 VanDerWaalsContact CZ3-C 3.49Å; W796-G801 VanDerWaalsContact CZ3-O 3.27Å; W796-G801 WeakPolarHBondContact CZ3-O 3.44Å; W796-W802 WeakPolarHBondContact CB-O 3.26Å; W796-W802 VanDerWaalsContact CE3-C 3.42Å; W796-W802 VanDerWaalsContact CE3-N 3.33Å; W796-P803 HydrophobicContact CG-CG 4.49Å; W796-I804 HydrophobicContact CB-CG1 4.38Å
797Q90.9Very high89.8Confident29 Ų2919.5 Ų19.514%0.13610%0.103CC..  trans-133.6164.8-172.8-57.4-179.4-46.100110.6E799 S800 G801 Y883 T885 D887Q797-E799 PolarHBondContact O-N 3.29Å; Q797-S800 PolarHBondContact N-OG 2.78Å; Q797-S800 PolarHBondContact O-N 2.85Å; Q797-S800 PolarHBondContact O-OG 3.44Å; Q797-S800 VanDerWaalsContact O-OG 3.09Å; Q797-G801 PolarHBondContact O-N 2.76Å; Q797-Y883 PolarHBondContact OE1-OH 3.17Å; Q797-T885 PolarHBondContact NE2-O 3.42Å; Q797-D887 PolarHBondContact NE2-OD2 3.41Å; Q797-D887 VanDerWaalsContact NE2-OD2 3.15Å
798T90.4Very high90.6Very high25 Ų2519 Ų1915%0.15310%0.101CC..THydrogen-bonded Turntrans-58.2-34.2169.5-60.60000110.8L656 T658 V668 R670 V704L656-T798 HydrophobicContact CB-CG2 4.11Å; T658-T798 HydrophobicContact CG2-CG2 3.65Å; V668-T798 HydrophobicContact CB-CG2 4.32Å; V668-T798 HydrophobicContact CG2-CG2 3.98Å; R670-T798 PolarHBondContact NH2-O 2.93Å; V704-T798 HydrophobicContact CB-CG2 4.18Å
799E94.2Very high90.7Very high21 Ų2116 Ų1610%0.0988%0.078CC..THydrogen-bonded Turntrans-69.4-34.7178.4-70.987.9155.700113.1V668 Q797 C859 I860 Y874 Y883V668-E799 HydrophobicContact CG2-CG 4.1Å; Q797-E799 PolarHBondContact O-N 3.29Å; E799-C859 CarbonylContact O-C 3.6Å; E799-I860 HydrophobicContact CB-CB 4.3Å; E799-I860 HydrophobicContact CB-CG2 3.95Å; E799-I860 HydrophobicContact CG-CD1 4.06Å; E799-I860 HydrophobicContact CG-CG2 4.41Å; E799-I860 WeakPolarHBondContact O-CB 3.4Å; E799-I860 PolarHBondContact O-N 3.12Å; E799-Y874 HydrophobicContact CG-CE1 4.01Å; E799-Y874 PolarHBondContact OE1-OH 3.19Å; E799-Y883 WeakPolarHBondContact CB-OH 3.27Å
800S95.1Very high90.6Very high3 Ų318.4 Ų18.42%0.02111%0.105CC..THydrogen-bonded Turntrans-79.8-31.6178.271.60000112.4W796 Q797 W802 Y828W796-S800 WeakPolarHBondContact CB-OG 3.13Å; Q797-S800 PolarHBondContact N-OG 2.78Å; Q797-S800 PolarHBondContact O-N 2.85Å; Q797-S800 PolarHBondContact O-OG 3.44Å; Q797-S800 VanDerWaalsContact O-OG 3.09Å; S800-W802 PolarHBondContact O-N 3.1Å; S800-W802 VanDerWaalsContact O-N 3.1Å; S800-W802 PolarHBondContact OG-O 3.5Å; S800-Y828 PolarHBondContact O-OH 2.88Å
801G94.2Very high90.9Very high0 Ų021.6 Ų21.60%012%0.118CC..  trans77.7-14.317400000115.9S708 W796 Q797S708-G801 PolarHBondContact OG-O 3.23Å; W796-G801 VanDerWaalsContact CZ3-C 3.49Å; W796-G801 VanDerWaalsContact CZ3-O 3.27Å; W796-G801 WeakPolarHBondContact CZ3-O 3.44Å; Q797-G801 PolarHBondContact O-N 2.76Å
802W96.7Very high90.7Very high6 Ų623 Ų232%0.02313%0.125CC..SBendtrans-155.9168.1174.160.6-75.6000109.8A678 I686 W796 S800 I804 M825 Y826 Y828 P856 P857A678-W802 HydrophobicContact CB-CD2 4.18Å; A678-W802 HydrophobicContact CB-CG 4.01Å; I686-W802 HydrophobicContact CD1-CE3 4.35Å; I686-W802 HydrophobicContact CD1-CZ3 4.37Å; W796-W802 WeakPolarHBondContact CB-O 3.26Å; W796-W802 VanDerWaalsContact CE3-C 3.42Å; W796-W802 VanDerWaalsContact CE3-N 3.33Å; S800-W802 PolarHBondContact O-N 3.1Å; S800-W802 VanDerWaalsContact O-N 3.1Å; S800-W802 PolarHBondContact OG-O 3.5Å; W802-I804 PolarHBondContact O-N 3.01Å; W802-M825 HydrophobicContact CZ3-CB 4.07Å; W802-Y826 AromaticContact CH2-CD2 3.81Å; W802-Y826 HydrophobicContact CH2-CD2 3.81Å; W802-Y826 AromaticContact CH2-CE2 3.44Å; W802-Y826 HydrophobicContact CH2-CE2 3.44Å; W802-Y826 VanDerWaalsContact CH2-CE2 3.44Å; W802-Y826 WeakPolarHBondContact CH2-O 3.28Å; W802-Y826 HydrophobicContact CZ3-CD2 4.22Å; W802-Y826 AromaticContact CZ3-CE2 3.52Å; W802-Y826 HydrophobicContact CZ3-CE2 3.52Å; W802-Y826 AromaticContact CZ3-CZ 3.73Å; W802-Y828 HydrophobicContact CD2-CE2 4.01Å; W802-Y828 AromaticContact CE2-CE2 3.59Å; W802-Y828 AromaticContact CE2-CZ 3.87Å; W802-Y828 HydrophobicContact CE3-CE2 4.11Å; W802-Y828 AromaticContact CH2-CD2 3.99Å; W802-Y828 HydrophobicContact CH2-CD2 3.99Å; W802-Y828 AromaticContact CH2-CE2 3.5Å; W802-Y828 HydrophobicContact CH2-CE2 3.5Å; W802-Y828 VanDerWaalsContact CH2-CE2 3.5Å; W802-Y828 HydrophobicContact CZ2-CD2 4.16Å; W802-Y828 AromaticContact CZ2-CE2 3.35Å; W802-Y828 HydrophobicContact CZ2-CE2 3.35Å; W802-Y828 AromaticContact CZ2-CZ 3.93Å; W802-Y828 HydrophobicContact CZ3-CD2 4.44Å; W802-Y828 AromaticContact CZ3-CE2 3.87Å; W802-Y828 HydrophobicContact CZ3-CE2 3.87Å; W802-Y828 PolarHBondContact NE1-OH 3.39Å; W802-P856 HydrophobicContact CZ2-CB 4Å; W802-P856 HydrophobicContact CZ2-CG 3.85Å; W802-P857 PolarHBondContact NE1-O 3.32Å
803P96.6Very high90.3Very high0 Ų030.1 Ų30.10%016%0.163CC..  trans-49.8123.4-177.6-32.538.1000114.5I686 F687 Y709 N794 W796 A806 Y828I686-P803 HydrophobicContact CD1-CB 3.85Å; I686-P803 HydrophobicContact CD1-CG 4.16Å; F687-P803 HydrophobicContact CE2-CG 4.22Å; F687-P803 HydrophobicContact CZ-CG 3.87Å; Y709-P803 WeakPolarHBondContact OH-CD 3.29Å; N794-P803 HydrophobicContact CB-CB 4.38Å; N794-P803 HydrophobicContact CB-CG 4.46Å; W796-P803 HydrophobicContact CG-CG 4.49Å; P803-A806 HydrophobicContact CB-CB 4.45Å; P803-Y828 WeakPolarHBondContact O-CE2 3.13Å
804I97.5Very high90.2Very high1 Ų133 Ų331%0.00517%0.173CC..SBendtrans-81.5-40169.6-59173.3000109.2Y795 W796 W802 M825 Y828 V830Y795-I804 HydrophobicContact CD1-CB 4.16Å; Y795-I804 HydrophobicContact CD1-CD1 4.46Å; Y795-I804 HydrophobicContact CE1-CB 4.37Å; Y795-I804 HydrophobicContact CE1-CD1 3.91Å; Y795-I804 PolarHBondContact O-N 3.29Å; W796-I804 HydrophobicContact CB-CG1 4.38Å; W802-I804 PolarHBondContact O-N 3.01Å; I804-M825 PolarHBondContact O-N 3.21Å; I804-Y828 HydrophobicContact CB-CG 4.5Å; I804-Y828 HydrophobicContact CG1-CD1 4.24Å; I804-Y828 HydrophobicContact CG1-CE1 3.87Å; I804-Y828 HydrophobicContact CG1-CE2 4.35Å; I804-Y828 HydrophobicContact CG2-CD1 4Å; I804-Y828 HydrophobicContact CG2-CD2 4.41Å; I804-Y828 HydrophobicContact CG2-CE1 4.49Å; I804-Y828 HydrophobicContact CG2-CG 3.97Å; I804-V830 HydrophobicContact CG2-CG2 3.71Å
805M96.1Very high89.9Confident0 Ų037.4 Ų37.40%020%0.202CC..EExtended strand (participates in β ladder)trans-132.1139.5177.7-66.2-178-73.700110.7N794 Y795 P821 V823 V830 L849 H897 I899N794-M805 CarbonylContact C-O 3.52Å; N794-M805 VanDerWaalsContact CA-O 3.3Å; N794-M805 WeakPolarHBondContact CA-O 3.24Å; N794-M805 WeakPolarHBondContact CB-O 3.21Å; Y795-M805 HydrophobicContact CD1-CE 3.35Å; Y795-M805 HydrophobicContact CE1-CE 3.87Å; Y795-M805 HydrophobicContact CG-CE 3.98Å; Y795-M805 PolarHBondContact N-O 3.1Å; Y795-M805 PolarHBondContact O-N 2.96Å; Y795-M805 VanDerWaalsContact O-N 3.13Å; M805-P821 HydrophobicContact CB-CB 4.33Å; M805-P821 HydrophobicContact CB-CG 4.32Å; M805-P821 HydrophobicContact CE-CG 4.32Å; M805-V823 VanDerWaalsContact CA-O 3.23Å; M805-V823 WeakPolarHBondContact CA-O 3.34Å; M805-V830 HydrophobicContact SD-CG1 4.45Å; M805-L849 HydrophobicContact CE-CD1 4.26Å; M805-L849 HydrophobicContact CE-CD2 3.65Å; M805-H897 HydrophobicContact CE-CB 4.21Å; M805-H897 HydrophobicContact SD-CB 3.39Å; M805-H897 WeakPolarHBondContact SD-CB 3.47Å; M805-H897 VanDerWaalsContact SD-CG 3.59Å; M805-I899 HydrophobicContact CE-CD1 3.55Å; M805-I899 HydrophobicContact CE-CG1 4.37Å
806A95Very high89.6Confident0 Ų039.2 Ų39.20%022%0.216CC..EExtended strand (participates in β ladder)trans-163.7-177.3177.900000109.3I686 N794 P803 P821 V823 M825I686-A806 HydrophobicContact CG2-CB 3.75Å; N794-A806 HydrophobicContact CB-CB 3.98Å; P803-A806 HydrophobicContact CB-CB 4.45Å; A806-P821 CarbonylContact C-O 3.59Å; A806-P821 VanDerWaalsContact C-O 3.28Å; A806-P821 WeakPolarHBondContact CA-O 3.16Å; A806-P821 PolarHBondContact N-O 3.44Å; A806-V823 PolarHBondContact N-O 3Å; A806-V823 VanDerWaalsContact N-O 3.15Å; A806-V823 PolarHBondContact O-N 3.39Å; A806-M825 HydrophobicContact CB-CE 4.04Å; A806-M825 HydrophobicContact CB-CG 4.25Å; A806-M825 HydrophobicContact CB-SD 3.91Å; A806-M825 WeakPolarHBondContact O-CE 3.49Å
807I93Very high89.3Confident4 Ų442.2 Ų42.22%0.02123%0.227CC..  trans-108.7109.2155.5-58-60.1000107.9R809 R814 T816 V823 Y896I807-R809 HydrophobicContact CG2-CG 4.16Å; I807-R809 PolarHBondContact O-N 3.4Å; I807-R814 HydrophobicContact CD1-CG 3.91Å; I807-R814 HydrophobicContact CG2-CG 4.17Å; I807-T816 HydrophobicContact CG1-CG2 4.18Å; I807-V823 HydrophobicContact CD1-CG2 4.38Å; I807-Y896 HydrophobicContact CD1-CE1 3.9Å
808A90.6Very high88.9Confident7 Ų744.8 Ų44.86%0.05824%0.241CC..  trans-80.480.4178.200000110.3T685 I686 G810 L811 D812 M825T685-A808 WeakPolarHBondContact O-CB 3.21Å; I686-A808 HydrophobicContact CG1-CB 4.34Å; A808-G810 PolarHBondContact O-N 3.27Å; A808-L811 HydrophobicContact CB-CB 4.44Å; A808-L811 PolarHBondContact O-N 3.1Å; A808-D812 PolarHBondContact O-N 2.81Å; A808-M825 HydrophobicContact CB-CE 4.3Å; A808-M825 HydrophobicContact CB-SD 3.96Å
809R79.4Confident88.4Confident89 Ų8944 Ų4434%0.33624%0.238SC..THydrogen-bonded Turntrans-56.1-21.3-173.9-72.3-165.5-179.3-97.80.1115I792 I807 L811 D812I792-R809 HydrophobicContact CD1-CG 3.94Å; I807-R809 HydrophobicContact CG2-CG 4.16Å; I807-R809 PolarHBondContact O-N 3.4Å; R809-L811 PolarHBondContact O-N 3.48Å; R809-D812 WeakPolarHBondContact CA-O 3.44Å
810G71.4Confident88.2Confident59 Ų5943.4 Ų43.461%0.60824%0.236SC*.THydrogen-bonded Turntrans-72.2-15.8173.500000114.3A808A808-G810 PolarHBondContact O-N 3.27Å
811L80.1Confident88Confident119 Ų11943.4 Ų43.462%0.62324%0.236SC*.THydrogen-bonded Turntrans-123.8-24.9-176.2-59.7179.4000113T685 A808 R809T685-L811 HydrophobicContact CG2-CD1 3.81Å; T685-L811 HydrophobicContact CG2-CD2 4.38Å; T685-L811 HydrophobicContact CG2-CG 4.19Å; A808-L811 HydrophobicContact CB-CB 4.44Å; A808-L811 PolarHBondContact O-N 3.1Å; R809-L811 PolarHBondContact O-N 3.48Å
812D80.9Confident88Confident41 Ų4143.4 Ų43.422%0.21924%0.236CC..  trans-144.3115.8-171.1-164.9-37000110A808 R809 R814A808-D812 PolarHBondContact O-N 2.81Å; R809-D812 WeakPolarHBondContact CA-O 3.44Å; D812-R814 VanDerWaalsContact C-N 3.31Å; D812-R814 VanDerWaalsContact OD1-CB 3.27Å; D812-R814 WeakPolarHBondContact OD1-CB 3.25Å; D812-R814 WeakPolarHBondContact OD1-CG 3.47Å; D812-R814 IonicContact OD1-CZ 2.67Å; D812-R814 PolarHBondContact OD1-N 3.34Å; D812-R814 VanDerWaalsContact OD1-N 3.12Å; D812-R814 IonicContact OD1-NE 3.54Å; D812-R814 PolarHBondContact OD1-NE 2.88Å; D812-R814 IonicContact OD1-NH2 3.08Å; D812-R814 IonicContact OD2-CZ 3.48Å; D812-R814 IonicContact OD2-NE 2.74Å; D812-R814 PolarHBondContact OD2-NE 3.41Å; D812-R814 IonicContact OD2-NH2 2.82Å; D812-R814 PolarHBondContact OD2-NH2 3.2Å
813D81.5Confident88Confident149 Ų14943.9 Ų43.980%0.79724%0.24SC*.  trans-896.2-174.468.4-15.5000113.7
814R88.6Confident87.9Confident79 Ų7946 Ų4630%0.29825%0.254SS..PPolyproline II helixtrans-56.6146.7-179.773.8-179.366.7-166.46.6112.2I807 D812 Y896I807-R814 HydrophobicContact CD1-CG 3.91Å; I807-R814 HydrophobicContact CG2-CG 4.17Å; D812-R814 VanDerWaalsContact C-N 3.31Å; D812-R814 VanDerWaalsContact OD1-CB 3.27Å; D812-R814 WeakPolarHBondContact OD1-CB 3.25Å; D812-R814 WeakPolarHBondContact OD1-CG 3.47Å; D812-R814 IonicContact OD1-CZ 2.67Å; D812-R814 PolarHBondContact OD1-N 3.34Å; D812-R814 VanDerWaalsContact OD1-N 3.12Å; D812-R814 IonicContact OD1-NE 3.54Å; D812-R814 PolarHBondContact OD1-NE 2.88Å; D812-R814 IonicContact OD1-NH2 3.08Å; D812-R814 IonicContact OD2-CZ 3.48Å; D812-R814 IonicContact OD2-NE 2.74Å; D812-R814 PolarHBondContact OD2-NE 3.41Å; D812-R814 IonicContact OD2-NH2 2.82Å; D812-R814 PolarHBondContact OD2-NH2 3.2Å; R814-Y896 WeakPolarHBondContact CD-OH 3.37Å; R814-Y896 WeakPolarHBondContact CG-OH 3.34Å
815P88.1Confident87.8Confident95 Ų9546.4 Ų46.462%0.61726%0.256SS*.PPolyproline II helixtrans-64153177.127-34.2000111.3Y896P815-Y896 WeakPolarHBondContact O-CE1 3.42Å; P815-Y896 PolarHBondContact O-OH 3.31Å
816T87.6Confident87.6Confident65 Ų6550.2 Ų50.240%0.39927%0.271SS..PPolyproline II helixtrans-70152.916748.40000109.6I807I807-T816 HydrophobicContact CG1-CG2 4.18Å
817R87.6Confident87.5Confident95 Ų9552.9 Ų52.936%0.35830%0.298SS..  trans-119.3126.4176.9-172.4162-112.1174.35.1108.6G819 S820 D892 D894 Y896 F898R817-G819 PolarHBondContact O-N 3.1Å; R817-S820 PolarHBondContact O-N 2.94Å; R817-D892 WeakPolarHBondContact CD-OD2 3.34Å; R817-D892 IonicContact CZ-OD2 3.33Å; R817-D892 IonicContact NE-OD2 2.78Å; R817-D892 VanDerWaalsContact NH1-CG 3.25Å; R817-D892 IonicContact NH1-OD1 3.55Å; R817-D892 IonicContact NH1-OD2 2.91Å; R817-D892 PolarHBondContact NH1-OD2 2.66Å; R817-D894 IonicContact CZ-OD2 2.73Å; R817-D894 VanDerWaalsContact CZ-OD2 3.24Å; R817-D894 IonicContact NH1-OD2 4Å; R817-D894 PolarHBondContact NH1-OD2 2.74Å; R817-D894 IonicContact NH2-OD2 2.61Å; R817-D894 PolarHBondContact NH2-OD2 3.47Å; R817-Y896 HydrophobicContact CB-CD1 3.66Å; R817-Y896 HydrophobicContact CB-CE1 3.83Å; R817-Y896 HydrophobicContact CB-CG 4.11Å; R817-F898 HydrophobicContact CG-CE1 4.49Å; R817-F898 HydrophobicContact CG-CZ 4.05Å
818L82.7Confident87.7Confident83 Ų8353.3 Ų53.344%0.43530%0.299SS..THydrogen-bonded Turntrans-56.4135.4-176.8-68.3164.5000110.3E777 A780 S820 F898E777-L818 HydrophobicContact CB-CB 4.32Å; E777-L818 HydrophobicContact CG-CB 4.26Å; E777-L818 HydrophobicContact CG-CD1 3.96Å; E777-L818 HydrophobicContact CG-CD2 4.29Å; E777-L818 HydrophobicContact CG-CG 4.39Å; A780-L818 HydrophobicContact CB-CD2 3.65Å; L818-S820 PolarHBondContact O-N 3.16Å; L818-F898 WeakPolarHBondContact O-CE1 3.26Å
819G80Confident87.9Confident9 Ų956.6 Ų56.69%0.09332%0.316CS..THydrogen-bonded Turntrans77.2-7.6-176.800000115.9R817 R917R817-G819 PolarHBondContact O-N 3.1Å; G819-R917 PolarHBondContact O-NH2 3.22Å
820S89.8Confident88.8Confident7 Ų752.9 Ų52.95%0.04930%0.303CS..  trans-109.5129.1-177.3138.60000111.8R817 L818 G822 Y896 H897R817-S820 PolarHBondContact O-N 2.94Å; L818-S820 PolarHBondContact O-N 3.16Å; S820-G822 PolarHBondContact O-N 2.77Å; S820-G822 VanDerWaalsContact O-N 3.14Å; S820-G822 WeakPolarHBondContact OG-CA 3.46Å; S820-G822 PolarHBondContact OG-N 3.48Å; S820-Y896 WeakPolarHBondContact OG-CD1 3.39Å; S820-H897 WeakPolarHBondContact CA-O 3.3Å; S820-H897 WeakPolarHBondContact CB-O 3.45Å; S820-H897 PolarHBondContact OG-O 3.31Å
821P91.2Very high89.9Confident3 Ų351.9 Ų51.92%0.01928%0.283CS..  trans-67.8-4.9168.129.8-38.8000113.8M805 A806 H897 I899M805-P821 HydrophobicContact CB-CB 4.33Å; M805-P821 HydrophobicContact CB-CG 4.32Å; M805-P821 HydrophobicContact CE-CG 4.32Å; A806-P821 CarbonylContact C-O 3.59Å; A806-P821 VanDerWaalsContact C-O 3.28Å; A806-P821 WeakPolarHBondContact CA-O 3.16Å; A806-P821 PolarHBondContact N-O 3.44Å; P821-H897 VanDerWaalsContact CD-O 3.31Å; P821-H897 WeakPolarHBondContact CD-O 3.43Å; P821-I899 HydrophobicContact CG-CG1 4.14Å
822G94Very high90.7Very high0 Ų046.8 Ų46.80%026%0.256CS..BIsolated β-bridgetrans109.3-130.2174.600000112.7S820 H897S820-G822 PolarHBondContact O-N 2.77Å; S820-G822 VanDerWaalsContact O-N 3.14Å; S820-G822 WeakPolarHBondContact OG-CA 3.46Å; S820-G822 PolarHBondContact OG-N 3.48Å; G822-H897 PolarHBondContact O-N 3.14Å
823V95.6Very high91.3Very high17 Ų1744.9 Ų44.910%0.10325%0.246CC..EExtended strand (participates in β ladder)trans-123.5160.8-172.4-620000111.3M805 A806 I807 M825M805-V823 VanDerWaalsContact CA-O 3.23Å; M805-V823 WeakPolarHBondContact CA-O 3.34Å; A806-V823 PolarHBondContact N-O 3Å; A806-V823 VanDerWaalsContact N-O 3.15Å; A806-V823 PolarHBondContact O-N 3.39Å; I807-V823 HydrophobicContact CD1-CG2 4.38Å; V823-M825 HydrophobicContact CG2-CE 4.18Å; V823-M825 VanDerWaalsContact O-CE 3.25Å; V823-M825 WeakPolarHBondContact O-CE 3.43Å; V823-M825 PolarHBondContact O-N 2.97Å
824P96.1Very high91.7Very high45 Ų4539.8 Ų39.829%0.29222%0.219SC..EExtended strand (participates in β ladder)trans-56.2133.8176.3-27.638.4000112.7V830P824-V830 HydrophobicContact CB-CB 3.98Å; P824-V830 HydrophobicContact CB-CG2 3.73Å; P824-V830 HydrophobicContact CG-CB 3.62Å; P824-V830 HydrophobicContact CG-CG1 4.27Å; P824-V830 HydrophobicContact CG-CG2 3.86Å
825M95.4Very high91.4Very high9 Ų938.9 Ų38.94%0.04422%0.218CC..PPolyproline II helixtrans-77.6156.3172.9-67.2-62.996.700111I686 W802 I804 A806 A808 V823 G827 Y828I686-M825 HydrophobicContact CD1-CG 3.72Å; I686-M825 HydrophobicContact CD1-SD 3.6Å; I686-M825 HydrophobicContact CG1-SD 3.76Å; W802-M825 HydrophobicContact CZ3-CB 4.07Å; I804-M825 PolarHBondContact O-N 3.21Å; A806-M825 HydrophobicContact CB-CE 4.04Å; A806-M825 HydrophobicContact CB-CG 4.25Å; A806-M825 HydrophobicContact CB-SD 3.91Å; A806-M825 WeakPolarHBondContact O-CE 3.49Å; A808-M825 HydrophobicContact CB-CE 4.3Å; A808-M825 HydrophobicContact CB-SD 3.96Å; V823-M825 HydrophobicContact CG2-CE 4.18Å; V823-M825 VanDerWaalsContact O-CE 3.25Å; V823-M825 WeakPolarHBondContact O-CE 3.43Å; V823-M825 PolarHBondContact O-N 2.97Å; M825-G827 PolarHBondContact O-N 3.35Å; M825-Y828 HydrophobicContact CB-CD2 4.24Å; M825-Y828 PolarHBondContact O-N 3.49Å
826Y91.6Very high91Very high80 Ų8040.6 Ų40.631%0.31423%0.226SC..THydrogen-bonded Turntrans-47.6136.1178.343.9-90.6000111.8T681 S682 T685 I686 W802 Y828T681-Y826 HydrophobicContact CG2-CD2 4.49Å; T681-Y826 HydrophobicContact CG2-CE2 3.58Å; S682-Y826 WeakPolarHBondContact CA-OH 3.21Å; S682-Y826 PolarHBondContact N-OH 3.01Å; T685-Y826 VanDerWaalsContact OG1-CE1 3.31Å; T685-Y826 WeakPolarHBondContact OG1-CE1 3.43Å; T685-Y826 PolarHBondContact OG1-OH 3.2Å; I686-Y826 HydrophobicContact CG1-CE1 4.36Å; W802-Y826 AromaticContact CH2-CD2 3.81Å; W802-Y826 HydrophobicContact CH2-CD2 3.81Å; W802-Y826 AromaticContact CH2-CE2 3.44Å; W802-Y826 HydrophobicContact CH2-CE2 3.44Å; W802-Y826 VanDerWaalsContact CH2-CE2 3.44Å; W802-Y826 WeakPolarHBondContact CH2-O 3.28Å; W802-Y826 HydrophobicContact CZ3-CD2 4.22Å; W802-Y826 AromaticContact CZ3-CE2 3.52Å; W802-Y826 HydrophobicContact CZ3-CE2 3.52Å; W802-Y826 AromaticContact CZ3-CZ 3.73Å; Y826-Y828 VanDerWaalsContact C-N 3.25Å; Y826-Y828 PolarHBondContact O-N 3.25Å
827G93.2Very high91Very high56 Ų5641.7 Ų41.758%0.57723%0.233SC*.THydrogen-bonded Turntrans81.7-14.6-178.200000115.5M825 P856M825-G827 PolarHBondContact O-N 3.35Å; G827-P856 WeakPolarHBondContact O-CD 3.5Å
828Y96.3Very high91Very high12 Ų1237.8 Ų37.85%0.04722%0.222CC..  trans-95.1106.2170.8-68-79.3000111S800 W802 P803 I804 M825 Y826 V830 V851 P856 C859S800-Y828 PolarHBondContact O-OH 2.88Å; W802-Y828 HydrophobicContact CD2-CE2 4.01Å; W802-Y828 AromaticContact CE2-CE2 3.59Å; W802-Y828 AromaticContact CE2-CZ 3.87Å; W802-Y828 HydrophobicContact CE3-CE2 4.11Å; W802-Y828 AromaticContact CH2-CD2 3.99Å; W802-Y828 HydrophobicContact CH2-CD2 3.99Å; W802-Y828 AromaticContact CH2-CE2 3.5Å; W802-Y828 HydrophobicContact CH2-CE2 3.5Å; W802-Y828 VanDerWaalsContact CH2-CE2 3.5Å; W802-Y828 HydrophobicContact CZ2-CD2 4.16Å; W802-Y828 AromaticContact CZ2-CE2 3.35Å; W802-Y828 HydrophobicContact CZ2-CE2 3.35Å; W802-Y828 AromaticContact CZ2-CZ 3.93Å; W802-Y828 HydrophobicContact CZ3-CD2 4.44Å; W802-Y828 AromaticContact CZ3-CE2 3.87Å; W802-Y828 HydrophobicContact CZ3-CE2 3.87Å; W802-Y828 PolarHBondContact NE1-OH 3.39Å; P803-Y828 WeakPolarHBondContact O-CE2 3.13Å; I804-Y828 HydrophobicContact CB-CG 4.5Å; I804-Y828 HydrophobicContact CG1-CD1 4.24Å; I804-Y828 HydrophobicContact CG1-CE1 3.87Å; I804-Y828 HydrophobicContact CG1-CE2 4.35Å; I804-Y828 HydrophobicContact CG2-CD1 4Å; I804-Y828 HydrophobicContact CG2-CD2 4.41Å; I804-Y828 HydrophobicContact CG2-CE1 4.49Å; I804-Y828 HydrophobicContact CG2-CG 3.97Å; M825-Y828 HydrophobicContact CB-CD2 4.24Å; M825-Y828 PolarHBondContact O-N 3.49Å; Y826-Y828 VanDerWaalsContact C-N 3.25Å; Y826-Y828 PolarHBondContact O-N 3.25Å; Y828-V830 VanDerWaalsContact C-N 3.29Å; Y828-V830 PolarHBondContact O-N 2.74Å; Y828-V851 HydrophobicContact CD1-CG1 4Å; Y828-V851 HydrophobicContact CD1-CG2 4.15Å; Y828-P856 HydrophobicContact CD1-CG 3.65Å; Y828-P856 HydrophobicContact CD2-CG 3.85Å; Y828-P856 HydrophobicContact CE1-CG 3.41Å; Y828-P856 VanDerWaalsContact CE1-CG 3.41Å; Y828-P856 HydrophobicContact CE2-CG 3.66Å; Y828-P856 HydrophobicContact CG-CG 3.86Å; Y828-P856 VanDerWaalsContact CZ-CG 3.41Å; Y828-C859 PolarHBondContact OH-SG 3.2Å
829N95.6Very high91.5Very high77 Ų7739.8 Ų39.841%0.41223%0.229SC..EExtended strand (participates in β ladder)trans-82.477.7169-177.9-2000109.7Q831 V851 E852N829-Q831 PolarHBondContact OD1-NE2 3.05Å; N829-V851 WeakPolarHBondContact O-CA 3.3Å; N829-E852 HydrophobicContact CB-CB 4.07Å; N829-E852 PolarHBondContact ND2-OE2 3.43Å; N829-E852 PolarHBondContact O-N 2.94Å
830V97Very high92.2Very high11 Ų1143 Ų437%0.06725%0.248CC..EExtended strand (participates in β ladder)trans-73.7132.9-178.6176.60000110.6I804 M805 P824 Y828 L849 V850 V851I804-V830 HydrophobicContact CG2-CG2 3.71Å; M805-V830 HydrophobicContact SD-CG1 4.45Å; P824-V830 HydrophobicContact CB-CB 3.98Å; P824-V830 HydrophobicContact CB-CG2 3.73Å; P824-V830 HydrophobicContact CG-CB 3.62Å; P824-V830 HydrophobicContact CG-CG1 4.27Å; P824-V830 HydrophobicContact CG-CG2 3.86Å; Y828-V830 VanDerWaalsContact C-N 3.29Å; Y828-V830 PolarHBondContact O-N 2.74Å; V830-L849 HydrophobicContact CG1-CD1 3.37Å; V830-L849 HydrophobicContact CG1-CG 4.12Å; V830-V850 WeakPolarHBondContact CA-O 3.45Å; V830-V851 HydrophobicContact CG2-CG2 4.42Å
831Q95.4Very high92.4Very high38 Ų3843.2 Ų43.218%0.17825%0.25CC..EExtended strand (participates in β ladder)trans-135157.4174.7-64-17819.900110.8N829 V850 E852 R880N829-Q831 PolarHBondContact OD1-NE2 3.05Å; Q831-V850 HydrophobicContact CB-CG2 3.95Å; Q831-V850 PolarHBondContact N-O 3.48Å; Q831-V850 PolarHBondContact O-N 2.85Å; Q831-E852 PolarHBondContact NE2-OE2 2.88Å; Q831-R880 VanDerWaalsContact OE1-CZ 3.29Å
832L95.8Very high92.5Very high12 Ų1244.7 Ų44.76%0.06327%0.266CS..EExtended strand (participates in β ladder)trans-109.4124168.8-70.8167.5000107.9P840 C841 M848 L849 G889 R891L832-P840 WeakPolarHBondContact O-CA 3.4Å; L832-C841 HydrophobicContact CB-CB 3.92Å; L832-C841 PolarHBondContact O-N 2.82Å; L832-M848 WeakPolarHBondContact CA-O 3.38Å; L832-L849 HydrophobicContact CD2-CB 4.21Å; L832-L849 HydrophobicContact CD2-CD1 3.81Å; L832-L849 HydrophobicContact CG-CD1 4.41Å; L832-G889 WeakPolarHBondContact CD2-O 3.3Å; L832-R891 HydrophobicContact CD1-CB 3.76Å; L832-R891 VanDerWaalsContact CD1-N 3.3Å
833L93.9Very high92.5Very high0 Ų048.5 Ų48.50%029%0.289CS..EExtended strand (participates in β ladder)trans-114.5141.6177.7-57.1-176.2000111.5E835 E839 P840 C841 G847 M848 V850 F878 R880 V882L833-E835 PolarHBondContact O-N 2.78Å; L833-E839 WeakPolarHBondContact CA-O 3.47Å; L833-P840 HydrophobicContact CD2-CB 4.5Å; L833-P840 HydrophobicContact CD2-CG 4.33Å; L833-C841 VanDerWaalsContact C-SG 3.5Å; L833-G847 CarbonylContact O-C 3.5Å; L833-G847 VanDerWaalsContact O-CA 3.27Å; L833-G847 WeakPolarHBondContact O-CA 3.24Å; L833-M848 PolarHBondContact N-O 3.39Å; L833-M848 PolarHBondContact O-N 3.03Å; L833-V850 HydrophobicContact CD1-CG1 4.17Å; L833-V850 HydrophobicContact CD1-CG2 3.78Å; L833-V850 HydrophobicContact CG-CG1 4.42Å; L833-V850 HydrophobicContact CG-CG2 3.73Å; L833-F878 HydrophobicContact CB-CE1 4.18Å; L833-F878 HydrophobicContact CB-CZ 4.08Å; L833-F878 HydrophobicContact CD1-CD1 4.17Å; L833-F878 HydrophobicContact CD1-CD2 4.05Å; L833-F878 HydrophobicContact CD1-CE1 4.25Å; L833-F878 HydrophobicContact CD1-CE2 4.14Å; L833-F878 HydrophobicContact CD1-CG 4.07Å; L833-F878 HydrophobicContact CD1-CZ 4.23Å; L833-R880 VanDerWaalsContact CD1-CZ 3.47Å; L833-R880 VanDerWaalsContact CD1-NE 3.32Å; L833-R880 VanDerWaalsContact CD2-CZ 3.45Å; L833-V882 HydrophobicContact CD1-CG2 4.19Å
834N89.9Confident92.3Very high42 Ų4252.3 Ų52.323%0.22531%0.309CS..  trans-67.2120.2168-175-57.5000108.6V836 T837 G838 E839 C841N834-V836 PolarHBondContact O-N 2.99Å; N834-V836 VanDerWaalsContact O-N 3.15Å; N834-V836 WeakPolarHBondContact OD1-CB 3.32Å; N834-V836 PolarHBondContact OD1-N 2.99Å; N834-T837 WeakPolarHBondContact CB-OG1 3.46Å; N834-T837 PolarHBondContact O-N 3.43Å; N834-T837 PolarHBondContact OD1-N 2.76Å; N834-G838 VanDerWaalsContact O-CA 3.31Å; N834-G838 WeakPolarHBondContact O-CA 3.41Å; N834-G838 PolarHBondContact O-N 3.26Å; N834-E839 PolarHBondContact N-O 3.44Å; N834-C841 PolarHBondContact N-SG 2.9Å
835E82.5Confident92.1Very high61 Ų6154 Ų5429%0.28531%0.313SS..THydrogen-bonded Turntrans-58.8-29.2-176.1-176.6-179.7-136.900112.8L833 M848 W888 R913L833-E835 PolarHBondContact O-N 2.78Å; E835-M848 HydrophobicContact CB-CE 4.24Å; E835-M848 HydrophobicContact CG-CE 3.79Å; E835-M848 WeakPolarHBondContact OE1-CE 3.38Å; E835-W888 HydrophobicContact CB-CH2 3.74Å; E835-W888 HydrophobicContact CB-CZ2 4.14Å; E835-W888 WeakPolarHBondContact OE2-CZ2 3.43Å; E835-R913 IonicContact OE2-CZ 3.98Å; E835-R913 IonicContact OE2-NH1 3.34Å; E835-R913 PolarHBondContact OE2-NH1 2.95Å; E835-R913 IonicContact OE2-NH2 3.79Å
836V80.9Confident91.8Very high130 Ų13056.1 Ų56.179%0.78832%0.321SS*.THydrogen-bonded Turntrans-86.5-46.2-175.4-1780000111.5N834N834-V836 PolarHBondContact O-N 2.99Å; N834-V836 VanDerWaalsContact O-N 3.15Å; N834-V836 WeakPolarHBondContact OD1-CB 3.32Å; N834-V836 PolarHBondContact OD1-N 2.99Å
837T86.8Confident91.8Very high88 Ų8852.3 Ų52.354%0.5431%0.307SS..THydrogen-bonded Turntrans-91.3-25.5-175.365.30000112.9N834 E839N834-T837 WeakPolarHBondContact CB-OG1 3.46Å; N834-T837 PolarHBondContact O-N 3.43Å; N834-T837 PolarHBondContact OD1-N 2.76Å; T837-E839 PolarHBondContact O-N 3.49Å; T837-E839 PolarHBondContact OG1-N 2.87Å
838G87.5Confident91.8Very high13 Ų1349.7 Ų49.713%0.13428%0.279CS..  trans77.41.6-171.500000114.5N834N834-G838 VanDerWaalsContact O-CA 3.31Å; N834-G838 WeakPolarHBondContact O-CA 3.41Å; N834-G838 PolarHBondContact O-N 3.26Å
839E92.6Very high91.7Very high125 Ų12549.1 Ų49.158%0.58428%0.277SS*.PPolyproline II helixtrans-83.3151.8-178.7-66.4-60.3147.600112.1L833 N834 T837 C841L833-E839 WeakPolarHBondContact CA-O 3.47Å; N834-E839 PolarHBondContact N-O 3.44Å; T837-E839 PolarHBondContact O-N 3.49Å; T837-E839 PolarHBondContact OG1-N 2.87Å; E839-C841 PolarHBondContact O-N 3.35Å
840P94.2Very high91.8Very high76 Ų7645.5 Ų45.549%0.49426%0.258SS..BIsolated β-bridgetrans-58.5133.8173.9-23.634.4000113.5L832 L833L832-P840 WeakPolarHBondContact O-CA 3.4Å; L833-P840 HydrophobicContact CD2-CB 4.5Å; L833-P840 HydrophobicContact CD2-CG 4.33Å
841C94.3Very high91.8Very high12 Ų1245 Ų458%0.08126%0.255CS..PPolyproline II helixtrans-75.2145174.8-70.20000112.1L832 L833 N834 E839 E845 G847L832-C841 HydrophobicContact CB-CB 3.92Å; L832-C841 PolarHBondContact O-N 2.82Å; L833-C841 VanDerWaalsContact C-SG 3.5Å; N834-C841 PolarHBondContact N-SG 2.9Å; E839-C841 PolarHBondContact O-N 3.35Å; C841-E845 WeakPolarHBondContact CA-OE2 3.08Å; C841-E845 HydrophobicContact CB-CB 3.96Å; C841-E845 HydrophobicContact CB-CG 4.03Å; C841-G847 VanDerWaalsContact SG-CA 3.53Å
842G93.3Very high91.7Very high34 Ų3447.1 Ų47.135%0.35127%0.265SS..  trans-73.7-177.4170.700000114.1N844 E845G842-N844 PolarHBondContact O-N 3.34Å; G842-E845 PolarHBondContact N-OE2 3.41Å; G842-E845 WeakPolarHBondContact O-CB 3.39Å; G842-E845 PolarHBondContact O-N 3.48Å
843V94.5Very high91.5Very high80 Ų8048 Ų4849%0.48528%0.277SS..THydrogen-bonded Turntrans-61.3132.9174.9172.40000110.1E845 A893V843-E845 PolarHBondContact O-N 2.87Å; V843-A893 HydrophobicContact CG1-CB 3.95Å
844N91.8Very high91.4Very high98 Ų9853.8 Ų53.852%0.52431%0.314SS..THydrogen-bonded Turntrans57.112.7-176.2-61.8-40.7000114.7G842 R891 D892G842-N844 PolarHBondContact O-N 3.34Å; N844-R891 PolarHBondContact N-O 3Å; N844-D892 WeakPolarHBondContact OD1-CA 3.5Å
845E91.9Very high91.6Very high81 Ų8153.4 Ų53.438%0.37931%0.312SS..  trans-87.1129.6174.1-174.2-173.4166.300109.6C841 G842 V843 G847C841-E845 WeakPolarHBondContact CA-OE2 3.08Å; C841-E845 HydrophobicContact CB-CB 3.96Å; C841-E845 HydrophobicContact CB-CG 4.03Å; G842-E845 PolarHBondContact N-OE2 3.41Å; G842-E845 WeakPolarHBondContact O-CB 3.39Å; G842-E845 PolarHBondContact O-N 3.48Å; V843-E845 PolarHBondContact O-N 2.87Å; E845-G847 PolarHBondContact O-N 3.07Å
846K89Confident92.2Very high52 Ų5251.1 Ų51.123%0.22630%0.303CS..  trans-71.7123.5-178.9178.4170.3-176.4168.60110.5W888 I890 L900 R913 E918K846-W888 HydrophobicContact CD-CE3 4.28Å; K846-W888 HydrophobicContact CG-CD2 4.42Å; K846-W888 HydrophobicContact CG-CE3 3.5Å; K846-W888 HydrophobicContact CG-CZ3 3.92Å; K846-I890 HydrophobicContact CB-CG2 4.12Å; K846-L900 HydrophobicContact CD-CD1 3.97Å; K846-L900 HydrophobicContact CG-CD1 4Å; K846-R913 PolarHBondContact NZ-O 2.97Å; K846-R913 VanDerWaalsContact NZ-O 3.09Å; K846-E918 IonicContact NZ-OE1 3.18Å; K846-E918 PolarHBondContact NZ-OE1 3.48Å
847G91.2Very high92.9Very high0 Ų048.2 Ų48.20%029%0.286CS..EExtended strand (participates in β ladder)trans-141.7166.9179.300000112.8L833 C841 E845 W888 G889L833-G847 CarbonylContact O-C 3.5Å; L833-G847 VanDerWaalsContact O-CA 3.27Å; L833-G847 WeakPolarHBondContact O-CA 3.24Å; C841-G847 VanDerWaalsContact SG-CA 3.53Å; E845-G847 PolarHBondContact O-N 3.07Å; G847-W888 WeakPolarHBondContact O-CA 3.19Å; G847-W888 VanDerWaalsContact O-CE3 3.31Å; G847-G889 PolarHBondContact N-O 3.1Å; G847-G889 PolarHBondContact O-N 3.32Å
848M92.9Very high93.2Very high1 Ų144 Ų441%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-76.9128.8169-169.9174.2-53.200109.6L832 L833 E835 V850 L877 F878 T903L832-M848 WeakPolarHBondContact CA-O 3.38Å; L833-M848 PolarHBondContact N-O 3.39Å; L833-M848 PolarHBondContact O-N 3.03Å; E835-M848 HydrophobicContact CB-CE 4.24Å; E835-M848 HydrophobicContact CG-CE 3.79Å; E835-M848 WeakPolarHBondContact OE1-CE 3.38Å; M848-V850 HydrophobicContact CG-CG1 4.47Å; M848-V850 PolarHBondContact O-N 2.91Å; M848-L877 HydrophobicContact CE-CD2 3.82Å; M848-L877 HydrophobicContact SD-CD2 3.32Å; M848-L877 WeakPolarHBondContact SD-CD2 3.41Å; M848-F878 HydrophobicContact CB-CZ 4.31Å; M848-F878 HydrophobicContact CE-CZ 4.44Å; M848-F878 HydrophobicContact SD-CE2 3.92Å; M848-F878 HydrophobicContact SD-CZ 4.13Å; M848-T903 HydrophobicContact CE-CG2 3.62Å; M848-T903 HydrophobicContact CG-CG2 4.12Å; M848-T903 HydrophobicContact SD-CG2 4.13Å
849L95.7Very high93.6Very high1 Ų143.5 Ų43.51%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-73.4122.9176.4-167.680000109.5Y795 M805 V830 L832 T885 D887 I899Y795-L849 HydrophobicContact CD1-CD2 4.34Å; Y795-L849 HydrophobicContact CE1-CD2 3.52Å; M805-L849 HydrophobicContact CE-CD1 4.26Å; M805-L849 HydrophobicContact CE-CD2 3.65Å; V830-L849 HydrophobicContact CG1-CD1 3.37Å; V830-L849 HydrophobicContact CG1-CG 4.12Å; L832-L849 HydrophobicContact CD2-CB 4.21Å; L832-L849 HydrophobicContact CD2-CD1 3.81Å; L832-L849 HydrophobicContact CG-CD1 4.41Å; L849-T885 WeakPolarHBondContact CB-OG1 3.49Å; L849-T885 HydrophobicContact CD2-CG2 4.19Å; L849-T885 HydrophobicContact CG-CG2 4.33Å; L849-T885 WeakPolarHBondContact O-CB 3.43Å; L849-T885 WeakPolarHBondContact O-CG2 3.34Å; L849-T885 PolarHBondContact O-N 3.44Å; L849-T885 PolarHBondContact O-OG1 3.23Å; L849-D887 WeakPolarHBondContact CB-O 3.42Å; L849-D887 PolarHBondContact N-O 3.12Å; L849-I899 HydrophobicContact CD2-CD1 3.82Å
850V96.3Very high93.7Very high0 Ų037.9 Ų37.90%023%0.229CC..EExtended strand (participates in β ladder)trans-132.5161178-55.70000110.4V830 Q831 L833 M848 F878 V882 Y883V830-V850 WeakPolarHBondContact CA-O 3.45Å; Q831-V850 HydrophobicContact CB-CG2 3.95Å; Q831-V850 PolarHBondContact N-O 3.48Å; Q831-V850 PolarHBondContact O-N 2.85Å; L833-V850 HydrophobicContact CD1-CG1 4.17Å; L833-V850 HydrophobicContact CD1-CG2 3.78Å; L833-V850 HydrophobicContact CG-CG1 4.42Å; L833-V850 HydrophobicContact CG-CG2 3.73Å; M848-V850 HydrophobicContact CG-CG1 4.47Å; M848-V850 PolarHBondContact O-N 2.91Å; V850-F878 HydrophobicContact CG1-CD2 4.36Å; V850-F878 HydrophobicContact CG1-CE2 3.88Å; V850-V882 HydrophobicContact CB-CB 4.17Å; V850-V882 HydrophobicContact CB-CG2 4.02Å; V850-V882 HydrophobicContact CG1-CG2 4.12Å; V850-V882 HydrophobicContact CG2-CB 4.23Å; V850-V882 HydrophobicContact CG2-CG2 4.16Å; V850-Y883 CarbonylContact C-O 3.52Å; V850-Y883 WeakPolarHBondContact CA-O 3.46Å; V850-Y883 WeakPolarHBondContact CB-O 3.33Å
851V97.1Very high93.7Very high1 Ų138.2 Ų38.21%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-117.1125.3169.8-173.70000108.8Y828 N829 V830 L855 Y883Y828-V851 HydrophobicContact CD1-CG1 4Å; Y828-V851 HydrophobicContact CD1-CG2 4.15Å; N829-V851 WeakPolarHBondContact O-CA 3.3Å; V830-V851 HydrophobicContact CG2-CG2 4.42Å; V851-L855 HydrophobicContact CB-CD2 3.82Å; V851-L855 HydrophobicContact CG1-CD2 3.7Å; V851-L855 HydrophobicContact CG2-CD2 4.47Å; V851-Y883 HydrophobicContact CB-CD1 4.45Å; V851-Y883 HydrophobicContact CG2-CD1 4.34Å; V851-Y883 PolarHBondContact N-O 3Å; V851-Y883 PolarHBondContact O-N 2.89Å
852E94.5Very high93.8Very high83 Ų8338 Ų3839%0.38822%0.222SC..EExtended strand (participates in β ladder)trans-69.4130.9172.3-173.5172.6-176.600110.1N829 Q831N829-E852 HydrophobicContact CB-CB 4.07Å; N829-E852 PolarHBondContact ND2-OE2 3.43Å; N829-E852 PolarHBondContact O-N 2.94Å; Q831-E852 PolarHBondContact NE2-OE2 2.88Å
853G90.5Very high93.9Very high31 Ų3136.6 Ų36.632%0.3221%0.206SC..SBendtrans-72.9161.6-178.300000113.3
854P92.2Very high93.9Very high120 Ų12035.3 Ų35.378%0.77919%0.193SC*.SBendcis-71.8150.2-3.730.9-35.2000112.4
855L94.5Very high93.9Very high35 Ų3534.3 Ų34.318%0.18321%0.206CC..PPolyproline II helixtrans-66.2149.8171.2-70.7177.3000110.5V851 C859 W875 Y883V851-L855 HydrophobicContact CB-CD2 3.82Å; V851-L855 HydrophobicContact CG1-CD2 3.7Å; V851-L855 HydrophobicContact CG2-CD2 4.47Å; L855-C859 HydrophobicContact CB-CB 3.78Å; L855-C859 HydrophobicContact CD1-CB 3.85Å; L855-C859 HydrophobicContact CG-CB 4.4Å; L855-W875 HydrophobicContact CD1-CH2 4.37Å; L855-W875 HydrophobicContact CD1-CZ2 3.9Å; L855-W875 HydrophobicContact CG-CH2 3.97Å; L855-W875 HydrophobicContact CG-CZ2 3.99Å; L855-Y883 HydrophobicContact CD1-CD2 3.77Å; L855-Y883 HydrophobicContact CD1-CE2 4.28Å; L855-Y883 HydrophobicContact CD1-CG 4.02Å; L855-Y883 HydrophobicContact CD2-CD1 4.32Å; L855-Y883 HydrophobicContact CD2-CG 4.01Å; L855-Y883 HydrophobicContact CG-CG 4.48Å
856P94.9Very high94Very high13 Ų1333.4 Ų33.48%0.08420%0.204CC..PPolyproline II helixtrans-71.1167.2177.531.7-35.9000111.9W802 G827 Y828 C859W802-P856 HydrophobicContact CZ2-CB 4Å; W802-P856 HydrophobicContact CZ2-CG 3.85Å; G827-P856 WeakPolarHBondContact O-CD 3.5Å; Y828-P856 HydrophobicContact CD1-CG 3.65Å; Y828-P856 HydrophobicContact CD2-CG 3.85Å; Y828-P856 HydrophobicContact CE1-CG 3.41Å; Y828-P856 VanDerWaalsContact CE1-CG 3.41Å; Y828-P856 HydrophobicContact CE2-CG 3.66Å; Y828-P856 HydrophobicContact CG-CG 3.86Å; Y828-P856 VanDerWaalsContact CZ-CG 3.41Å; P856-C859 WeakPolarHBondContact O-CB 3.22Å; P856-C859 PolarHBondContact O-N 3.41Å; P856-C859 PolarHBondContact O-SG 3.3Å; P856-C859 VanDerWaalsContact O-SG 3.41Å
857P94.6Very high94.3Very high69 Ų6935.7 Ų35.745%0.44822%0.219SC..THydrogen-bonded Turntrans-52.5149179.7-26.234.6000113.8G674 A678 W802 C859G674-P857 WeakPolarHBondContact O-CB 3.12Å; A678-P857 WeakPolarHBondContact CB-O 3.15Å; W802-P857 PolarHBondContact NE1-O 3.32Å; P857-C859 PolarHBondContact O-N 2.61Å
858G93.3Very high94.5Very high0 Ų038.2 Ų38.20%024%0.244CC..THydrogen-bonded Turntrans82-10.2179.300000115.7R670 G674R670-G858 WeakPolarHBondContact CD-O 3.28Å; R670-G858 WeakPolarHBondContact CG-O 3.31Å; G674-G858 PolarHBondContact O-N 2.96Å
859C95.9Very high94.5Very high2 Ų240.9 Ų40.91%0.01425%0.254CS..SBendtrans-66.3159.5168.1-71.30000111.7E799 Y828 L855 P856 P857 Q861E799-C859 CarbonylContact O-C 3.6Å; Y828-C859 PolarHBondContact OH-SG 3.2Å; L855-C859 HydrophobicContact CB-CB 3.78Å; L855-C859 HydrophobicContact CD1-CB 3.85Å; L855-C859 HydrophobicContact CG-CB 4.4Å; P856-C859 WeakPolarHBondContact O-CB 3.22Å; P856-C859 PolarHBondContact O-N 3.41Å; P856-C859 PolarHBondContact O-SG 3.3Å; P856-C859 VanDerWaalsContact O-SG 3.41Å; P857-C859 PolarHBondContact O-N 2.61Å; C859-Q861 PolarHBondContact O-N 3.33Å; C859-Q861 PolarHBondContact O-NE2 2.95Å; C859-Q861 VanDerWaalsContact O-NE2 3.17Å
860I95.6Very high94.3Very high6 Ų642 Ų423%0.03126%0.259CS..  trans-45.2127.2172.6-176.3168.8000111.3V668 E799 T862 I863 F870 Y874 Y883V668-I860 HydrophobicContact CB-CD1 4.29Å; V668-I860 HydrophobicContact CG1-CB 3.83Å; V668-I860 HydrophobicContact CG1-CD1 3.96Å; V668-I860 HydrophobicContact CG1-CG1 3.81Å; V668-I860 HydrophobicContact CG2-CD1 4.03Å; E799-I860 HydrophobicContact CB-CB 4.3Å; E799-I860 HydrophobicContact CB-CG2 3.95Å; E799-I860 HydrophobicContact CG-CD1 4.06Å; E799-I860 HydrophobicContact CG-CG2 4.41Å; E799-I860 WeakPolarHBondContact O-CB 3.4Å; E799-I860 PolarHBondContact O-N 3.12Å; I860-T862 WeakPolarHBondContact CD1-O 3.39Å; I860-T862 WeakPolarHBondContact CG1-O 3.4Å; I860-I863 HydrophobicContact CD1-CG1 4.38Å; I860-F870 HydrophobicContact CD1-CD2 4.14Å; I860-F870 HydrophobicContact CD1-CE2 4.22Å; I860-F870 HydrophobicContact CG1-CD2 4.41Å; I860-F870 HydrophobicContact CG1-CE2 4.14Å; I860-F870 HydrophobicContact CG2-CE2 3.84Å; I860-Y874 HydrophobicContact CD1-CE2 4.4Å; I860-Y883 HydrophobicContact CG2-CE2 4.38Å
861Q94.5Very high94.2Very high83 Ų8345.7 Ų45.739%0.38828%0.282SS..  trans-83.9-41.1173.3-63.6-59.1-6400110.8Q669 D671 C859 F870Q669-Q861 PolarHBondContact O-N 3.3Å; D671-Q861 HydrophobicContact CB-CG 4.08Å; C859-Q861 PolarHBondContact O-N 3.33Å; C859-Q861 PolarHBondContact O-NE2 2.95Å; C859-Q861 VanDerWaalsContact O-NE2 3.17Å; Q861-F870 WeakPolarHBondContact O-CE1 3.4Å
862T95.4Very high94Very high9 Ų953.5 Ų53.56%0.05532%0.315CS..EExtended strand (participates in β ladder)trans-167.5176.4176.6-1710000110.2Q669 I860 D867Q669-T862 HydrophobicContact CB-CG2 4.03Å; Q669-T862 WeakPolarHBondContact CB-O 3.47Å; Q669-T862 HydrophobicContact CG-CG2 4.49Å; Q669-T862 PolarHBondContact N-O 3.18Å; Q669-T862 VanDerWaalsContact N-O 3.09Å; I860-T862 WeakPolarHBondContact CD1-O 3.39Å; I860-T862 WeakPolarHBondContact CG1-O 3.4Å; T862-D867 VanDerWaalsContact CB-OD1 3.26Å; T862-D867 WeakPolarHBondContact CB-OD1 3.47Å; T862-D867 VanDerWaalsContact CG2-OD1 3.32Å; T862-D867 WeakPolarHBondContact CG2-OD1 3.36Å; T862-D867 WeakPolarHBondContact OG1-CA 3.42Å; T862-D867 PolarHBondContact OG1-OD1 3.08Å
863I95Very high93.8Very high3 Ų351 Ų512%0.01531%0.306CS..EExtended strand (participates in β ladder)trans-83.7125.9161.7-61.2174.4000107.2K666 G667 I860 G865 D866 R869 F870 Y874K666-I863 HydrophobicContact CB-CD1 4.43Å; K666-I863 HydrophobicContact CB-CG2 4.26Å; K666-I863 HydrophobicContact CD-CD1 4.2Å; K666-I863 HydrophobicContact CG-CD1 4.29Å; G667-I863 CarbonylContact O-C 3.47Å; G667-I863 WeakPolarHBondContact O-CA 3.32Å; I860-I863 HydrophobicContact CD1-CG1 4.38Å; I863-G865 PolarHBondContact O-N 2.87Å; I863-G865 VanDerWaalsContact O-N 3.12Å; I863-D866 HydrophobicContact CB-CB 4.37Å; I863-D866 HydrophobicContact CG2-CB 4.05Å; I863-D866 CarbonylContact O-C 3.38Å; I863-D866 PolarHBondContact O-N 2.85Å; I863-R869 HydrophobicContact CD1-CB 3.97Å; I863-R869 HydrophobicContact CD1-CG 3.61Å; I863-F870 HydrophobicContact CB-CB 4.44Å; I863-F870 HydrophobicContact CD1-CB 4.45Å; I863-F870 HydrophobicContact CG1-CB 4.11Å; I863-Y874 HydrophobicContact CD1-CE2 4.12Å; I863-Y874 HydrophobicContact CG1-CE2 4.36Å
864W94.6Very high93.9Very high53 Ų5349.7 Ų49.720%0.20129%0.291CS..THydrogen-bonded Turntrans-48.8117.3-177.6-179.8-106.6000111.7I552 D571 T652 I655 G667 Q669 D866I552-W864 HydrophobicContact CD1-CH2 4.06Å; I552-W864 HydrophobicContact CD1-CZ3 4.34Å; D571-W864 PolarHBondContact O-NE1 3Å; T652-W864 HydrophobicContact CG2-CZ3 4.17Å; I655-W864 HydrophobicContact CD1-CD2 3.38Å; I655-W864 VanDerWaalsContact CD1-CE2 3.5Å; I655-W864 HydrophobicContact CD1-CE3 3.71Å; I655-W864 HydrophobicContact CD1-CG 3.78Å; I655-W864 HydrophobicContact CD1-CH2 4.23Å; I655-W864 HydrophobicContact CD1-CZ2 3.94Å; I655-W864 HydrophobicContact CD1-CZ3 4.12Å; I655-W864 HydrophobicContact CG1-CD2 3.94Å; I655-W864 HydrophobicContact CG1-CE3 3.91Å; I655-W864 HydrophobicContact CG1-CG 4.21Å; I655-W864 HydrophobicContact CG1-CZ3 4.47Å; I655-W864 HydrophobicContact CG2-CB 4.15Å; I655-W864 HydrophobicContact CG2-CG 4.37Å; G667-W864 WeakPolarHBondContact O-CB 3.22Å; G667-W864 PolarHBondContact O-N 2.7Å; Q669-W864 HydrophobicContact CG-CE3 4.24Å; Q669-W864 VanDerWaalsContact OE1-CE3 3.24Å; W864-D866 PolarHBondContact O-N 3.17Å
865G92.7Very high94Very high78 Ų7846.4 Ų46.480%0.80426%0.264SS*.THydrogen-bonded Turntrans67.312.6-179.200000115.8I863I863-G865 PolarHBondContact O-N 2.87Å; I863-G865 VanDerWaalsContact O-N 3.12Å
866D93.8Very high93.9Very high61 Ų6148.1 Ų48.133%0.32628%0.278SS..  trans-148.361.9-173.9-164.5-5.7000113.2I863 W864 G868 R869 F870I863-D866 HydrophobicContact CB-CB 4.37Å; I863-D866 HydrophobicContact CG2-CB 4.05Å; I863-D866 CarbonylContact O-C 3.38Å; I863-D866 PolarHBondContact O-N 2.85Å; W864-D866 PolarHBondContact O-N 3.17Å; D866-G868 PolarHBondContact O-N 3.21Å; D866-R869 HydrophobicContact CB-CB 4.22Å; D866-R869 PolarHBondContact O-N 3.42Å; D866-R869 WeakPolarHBondContact OD1-CB 3.32Å; D866-R869 PolarHBondContact OD1-N 3.44Å; D866-R869 WeakPolarHBondContact OD2-CB 3.4Å; D866-R869 VanDerWaalsContact OD2-CD 3.28Å; D866-R869 WeakPolarHBondContact OD2-CD 3.37Å; D866-F870 PolarHBondContact O-N 3.12Å; D866-F870 VanDerWaalsContact O-N 3.17Å
867D94.8Very high93.6Very high101 Ų10151.2 Ų51.254%0.5429%0.294SS..Hα-helixtrans-57.7-34.4177.5-63.7-16.4000113T862 R869 F870 V871T862-D867 VanDerWaalsContact CB-OD1 3.26Å; T862-D867 WeakPolarHBondContact CB-OD1 3.47Å; T862-D867 VanDerWaalsContact CG2-OD1 3.32Å; T862-D867 WeakPolarHBondContact CG2-OD1 3.36Å; T862-D867 WeakPolarHBondContact OG1-CA 3.42Å; T862-D867 PolarHBondContact OG1-OD1 3.08Å; D867-R869 PolarHBondContact O-N 3.42Å; D867-F870 WeakPolarHBondContact O-CB 3.44Å; D867-F870 PolarHBondContact O-N 3.19Å; D867-V871 PolarHBondContact O-N 2.85Å; D867-V871 VanDerWaalsContact O-N 3.08Å
868G95.6Very high93.4Very high52 Ų5249 Ų4954%0.53628%0.277SS..Hα-helixtrans-62-44.2177.200000112.1D866 F870 K872D866-G868 PolarHBondContact O-N 3.21Å; G868-F870 VanDerWaalsContact C-N 3.31Å; G868-F870 PolarHBondContact O-N 2.72Å; G868-K872 VanDerWaalsContact O-CB 3.26Å; G868-K872 WeakPolarHBondContact O-CB 3.26Å; G868-K872 PolarHBondContact O-N 2.95Å
869R92.1Very high93Very high57 Ų5755.4 Ų55.422%0.21532%0.322CS..Hα-helixtrans-66.7-33.3174.4-173.2-176.6-179.2-172.24.1111.8K664 I863 D866 D867 T873K664-R869 PolarHBondContact O-NH1 3.37Å; K664-R869 PolarHBondContact O-NH2 2.97Å; I863-R869 HydrophobicContact CD1-CB 3.97Å; I863-R869 HydrophobicContact CD1-CG 3.61Å; D866-R869 HydrophobicContact CB-CB 4.22Å; D866-R869 PolarHBondContact O-N 3.42Å; D866-R869 WeakPolarHBondContact OD1-CB 3.32Å; D866-R869 PolarHBondContact OD1-N 3.44Å; D866-R869 WeakPolarHBondContact OD2-CB 3.4Å; D866-R869 VanDerWaalsContact OD2-CD 3.28Å; D866-R869 WeakPolarHBondContact OD2-CD 3.37Å; D867-R869 PolarHBondContact O-N 3.42Å; R869-T873 WeakPolarHBondContact O-CB 3.44Å; R869-T873 PolarHBondContact O-N 3.31Å; R869-T873 PolarHBondContact O-OG1 3.39Å
870F92.8Very high92.6Very high25 Ų2558.1 Ų58.111%0.1133%0.332CS..Hα-helixtrans-60.6-54.4175.7171.8-117000111.7I860 Q861 I863 D866 D867 G868 K872 T873 Y874 W875I860-F870 HydrophobicContact CD1-CD2 4.14Å; I860-F870 HydrophobicContact CD1-CE2 4.22Å; I860-F870 HydrophobicContact CG1-CD2 4.41Å; I860-F870 HydrophobicContact CG1-CE2 4.14Å; I860-F870 HydrophobicContact CG2-CE2 3.84Å; Q861-F870 WeakPolarHBondContact O-CE1 3.4Å; I863-F870 HydrophobicContact CB-CB 4.44Å; I863-F870 HydrophobicContact CD1-CB 4.45Å; I863-F870 HydrophobicContact CG1-CB 4.11Å; D866-F870 PolarHBondContact O-N 3.12Å; D866-F870 VanDerWaalsContact O-N 3.17Å; D867-F870 WeakPolarHBondContact O-CB 3.44Å; D867-F870 PolarHBondContact O-N 3.19Å; G868-F870 VanDerWaalsContact C-N 3.31Å; G868-F870 PolarHBondContact O-N 2.72Å; F870-K872 PolarHBondContact O-N 3.39Å; F870-T873 PolarHBondContact O-N 3.05Å; F870-Y874 AromaticContact CD2-CD2 3.59Å; F870-Y874 HydrophobicContact CD2-CD2 3.59Å; F870-Y874 HydrophobicContact CD2-CE2 4.2Å; F870-Y874 HydrophobicContact CD2-CG 4.49Å; F870-Y874 HydrophobicContact CE2-CD2 4.02Å; F870-Y874 WeakPolarHBondContact O-CD2 3.03Å; F870-Y874 PolarHBondContact O-N 3.31Å; F870-W875 AromaticContact CE1-CD1 3.99Å; F870-W875 AromaticContact CE1-NE1 3.51Å; F870-W875 AromaticContact CE2-NE1 3.61Å; F870-W875 AromaticContact CZ-CD1 3.93Å; F870-W875 AromaticContact CZ-NE1 3.11Å
871V94.4Very high92.1Very high78 Ų7862.7 Ų62.747%0.47336%0.362SS..Hα-helixtrans-62.2-47179.1179.60000111D867 T873 W875 S876D867-V871 PolarHBondContact O-N 2.85Å; D867-V871 VanDerWaalsContact O-N 3.08Å; V871-T873 VanDerWaalsContact C-N 3.34Å; V871-T873 PolarHBondContact O-N 3.14Å; V871-W875 HydrophobicContact CG1-CB 4.48Å; V871-W875 WeakPolarHBondContact O-CB 3.15Å; V871-W875 PolarHBondContact O-N 3.07Å; V871-S876 PolarHBondContact O-N 3.15Å; V871-S876 PolarHBondContact O-OG 2.93Å
872K92.7Very high92.1Very high164 Ų16458.9 Ų58.971%0.71334%0.344SS*.Hα-helixtrans-61.6-41.7-179.5-177.7179.1177.9-179.50112.4G868 F870 S876G868-K872 VanDerWaalsContact O-CB 3.26Å; G868-K872 WeakPolarHBondContact O-CB 3.26Å; G868-K872 PolarHBondContact O-N 2.95Å; F870-K872 PolarHBondContact O-N 3.39Å; K872-S876 WeakPolarHBondContact CA-OG 3.41Å
873T89.5Confident92.1Very high32 Ų3258.7 Ų58.720%0.19634%0.343CS..Hα-helixtrans-74.2-56.5-176.7-55.80000110R869 F870 V871 F886R869-T873 WeakPolarHBondContact O-CB 3.44Å; R869-T873 PolarHBondContact O-N 3.31Å; R869-T873 PolarHBondContact O-OG1 3.39Å; F870-T873 PolarHBondContact O-N 3.05Å; V871-T873 VanDerWaalsContact C-N 3.34Å; V871-T873 PolarHBondContact O-N 3.14Å; T873-F886 HydrophobicContact CG2-CE2 3.99Å; T873-F886 HydrophobicContact CG2-CZ 3.85Å; T873-F886 VanDerWaalsContact O-CZ 3.24Å; T873-F886 WeakPolarHBondContact O-CZ 3.44Å
874Y92.8Very high92.1Very high2 Ų258.5 Ų58.51%0.00834%0.342CS..Hα-helixtrans-95.6-20.2-164.1-61.5-78000114.6K666 E799 I860 I863 F870 Y883 A884 F886K666-Y874 WeakPolarHBondContact CD-OH 3.25Å; K666-Y874 PolarHBondContact NZ-OH 3.49Å; K666-Y874 VanDerWaalsContact NZ-OH 3.1Å; E799-Y874 HydrophobicContact CG-CE1 4.01Å; E799-Y874 PolarHBondContact OE1-OH 3.19Å; I860-Y874 HydrophobicContact CD1-CE2 4.4Å; I863-Y874 HydrophobicContact CD1-CE2 4.12Å; I863-Y874 HydrophobicContact CG1-CE2 4.36Å; F870-Y874 AromaticContact CD2-CD2 3.59Å; F870-Y874 HydrophobicContact CD2-CD2 3.59Å; F870-Y874 HydrophobicContact CD2-CE2 4.2Å; F870-Y874 HydrophobicContact CD2-CG 4.49Å; F870-Y874 HydrophobicContact CE2-CD2 4.02Å; F870-Y874 WeakPolarHBondContact O-CD2 3.03Å; F870-Y874 PolarHBondContact O-N 3.31Å; Y874-Y883 HydrophobicContact CD1-CD2 4.12Å; Y874-Y883 AromaticContact CD1-CE2 3.3Å; Y874-Y883 HydrophobicContact CD1-CE2 3.3Å; Y874-Y883 AromaticContact CD1-CZ 3.7Å; Y874-Y883 HydrophobicContact CE1-CE2 4.06Å; Y874-Y883 HydrophobicContact CG-CD2 4.17Å; Y874-Y883 AromaticContact CG-CE2 3.63Å; Y874-Y883 HydrophobicContact CG-CE2 3.63Å; Y874-Y883 CarbonylContact O-C 3.33Å; Y874-Y883 WeakPolarHBondContact O-CA 3.05Å; Y874-A884 PolarHBondContact O-N 3.48Å; Y874-F886 AromaticContact CD1-CE2 3.86Å; Y874-F886 HydrophobicContact CD1-CE2 3.86Å; Y874-F886 AromaticContact CE1-CE2 3.96Å; Y874-F886 HydrophobicContact CE1-CE2 3.96Å
875W94.5Very high92Very high52 Ų5256.1 Ų56.120%0.19733%0.333CS..THydrogen-bonded Turntrans-121.4-3.9-168.3-61.897.9000114.7L855 F870 V871 Y883L855-W875 HydrophobicContact CD1-CH2 4.37Å; L855-W875 HydrophobicContact CD1-CZ2 3.9Å; L855-W875 HydrophobicContact CG-CH2 3.97Å; L855-W875 HydrophobicContact CG-CZ2 3.99Å; F870-W875 AromaticContact CE1-CD1 3.99Å; F870-W875 AromaticContact CE1-NE1 3.51Å; F870-W875 AromaticContact CE2-NE1 3.61Å; F870-W875 AromaticContact CZ-CD1 3.93Å; F870-W875 AromaticContact CZ-NE1 3.11Å; V871-W875 HydrophobicContact CG1-CB 4.48Å; V871-W875 WeakPolarHBondContact O-CB 3.15Å; V871-W875 PolarHBondContact O-N 3.07Å; W875-Y883 HydrophobicContact CZ2-CD2 4.27Å
876S92.4Very high91.9Very high70 Ų7054.7 Ų54.749%0.4931%0.305SS..SBendtrans-111.26.2-172-52.20000113.9V871 K872V871-S876 PolarHBondContact O-N 3.15Å; V871-S876 PolarHBondContact O-OG 2.93Å; K872-S876 WeakPolarHBondContact CA-OG 3.41Å
877L88.6Confident91.6Very high79 Ų7952.4 Ų52.441%0.41429%0.293SS..SBendtrans-73.9-32.4-177.4-173.261000112.5M848 A884 F886M848-L877 HydrophobicContact CE-CD2 3.82Å; M848-L877 HydrophobicContact SD-CD2 3.32Å; M848-L877 WeakPolarHBondContact SD-CD2 3.41Å; L877-A884 HydrophobicContact CB-CB 4.26Å; L877-A884 HydrophobicContact CD2-CB 3.84Å; L877-F886 HydrophobicContact CD2-CE1 4.28Å
878F89.6Confident91.3Very high22 Ų2248.7 Ų48.710%0.09627%0.271CS..SBendtrans-117.1161.1175.7-64.1-82.3000109.9L833 M848 V850 R880 V882L833-F878 HydrophobicContact CB-CE1 4.18Å; L833-F878 HydrophobicContact CB-CZ 4.08Å; L833-F878 HydrophobicContact CD1-CD1 4.17Å; L833-F878 HydrophobicContact CD1-CD2 4.05Å; L833-F878 HydrophobicContact CD1-CE1 4.25Å; L833-F878 HydrophobicContact CD1-CE2 4.14Å; L833-F878 HydrophobicContact CD1-CG 4.07Å; L833-F878 HydrophobicContact CD1-CZ 4.23Å; M848-F878 HydrophobicContact CB-CZ 4.31Å; M848-F878 HydrophobicContact CE-CZ 4.44Å; M848-F878 HydrophobicContact SD-CE2 3.92Å; M848-F878 HydrophobicContact SD-CZ 4.13Å; V850-F878 HydrophobicContact CG1-CD2 4.36Å; V850-F878 HydrophobicContact CG1-CE2 3.88Å; F878-R880 HydrophobicContact CB-CG 3.94Å; F878-R880 PolarHBondContact O-N 2.78Å; F878-V882 HydrophobicContact CB-CG2 4.3Å; F878-V882 HydrophobicContact CD2-CG2 3.93Å; F878-V882 HydrophobicContact CG-CG2 4.45Å
879S85.6Confident91.2Very high134 Ų13446.3 Ų46.394%0.93725%0.246SC*.SBendtrans-64.9-22.1174.353.10000113.1
880R86.8Confident91.2Very high60 Ų6045.3 Ų45.323%0.22625%0.245CC..SBendtrans-91.6144.3175.252.5179.8-111.7174.1-3.3111.5Q831 L833 F878 V882Q831-R880 VanDerWaalsContact OE1-CZ 3.29Å; L833-R880 VanDerWaalsContact CD1-CZ 3.47Å; L833-R880 VanDerWaalsContact CD1-NE 3.32Å; L833-R880 VanDerWaalsContact CD2-CZ 3.45Å; F878-R880 HydrophobicContact CB-CG 3.94Å; F878-R880 PolarHBondContact O-N 2.78Å; R880-V882 VanDerWaalsContact C-N 3.31Å; R880-V882 HydrophobicContact CG-CG1 4.08Å; R880-V882 HydrophobicContact CG-CG2 4.19Å; R880-V882 PolarHBondContact O-N 3.17Å
881P85.9Confident91.4Very high101 Ų10148.9 Ų48.966%0.65626%0.257SS*.  trans-76.480.8-177.832.5-35.5000110.9
882V94.6Very high91.4Very high4 Ų445.8 Ų45.82%0.02424%0.238CC..EExtended strand (participates in β ladder)trans-122.1145.6177.5-62.10000111.5L833 V850 F878 R880 A884L833-V882 HydrophobicContact CD1-CG2 4.19Å; V850-V882 HydrophobicContact CB-CB 4.17Å; V850-V882 HydrophobicContact CB-CG2 4.02Å; V850-V882 HydrophobicContact CG1-CG2 4.12Å; V850-V882 HydrophobicContact CG2-CB 4.23Å; V850-V882 HydrophobicContact CG2-CG2 4.16Å; F878-V882 HydrophobicContact CB-CG2 4.3Å; F878-V882 HydrophobicContact CD2-CG2 3.93Å; F878-V882 HydrophobicContact CG-CG2 4.45Å; R880-V882 VanDerWaalsContact C-N 3.31Å; R880-V882 HydrophobicContact CG-CG1 4.08Å; R880-V882 HydrophobicContact CG-CG2 4.19Å; R880-V882 PolarHBondContact O-N 3.17Å; V882-A884 PolarHBondContact O-N 3.06Å
883Y96.3Very high91.5Very high4 Ų441.7 Ų41.72%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-75.4113.9174.6176.6-96.4000109.5Q797 E799 V850 V851 L855 I860 Y874 W875 T885Q797-Y883 PolarHBondContact OE1-OH 3.17Å; E799-Y883 WeakPolarHBondContact CB-OH 3.27Å; V850-Y883 CarbonylContact C-O 3.52Å; V850-Y883 WeakPolarHBondContact CA-O 3.46Å; V850-Y883 WeakPolarHBondContact CB-O 3.33Å; V851-Y883 HydrophobicContact CB-CD1 4.45Å; V851-Y883 HydrophobicContact CG2-CD1 4.34Å; V851-Y883 PolarHBondContact N-O 3Å; V851-Y883 PolarHBondContact O-N 2.89Å; L855-Y883 HydrophobicContact CD1-CD2 3.77Å; L855-Y883 HydrophobicContact CD1-CE2 4.28Å; L855-Y883 HydrophobicContact CD1-CG 4.02Å; L855-Y883 HydrophobicContact CD2-CD1 4.32Å; L855-Y883 HydrophobicContact CD2-CG 4.01Å; L855-Y883 HydrophobicContact CG-CG 4.48Å; I860-Y883 HydrophobicContact CG2-CE2 4.38Å; Y874-Y883 HydrophobicContact CD1-CD2 4.12Å; Y874-Y883 AromaticContact CD1-CE2 3.3Å; Y874-Y883 HydrophobicContact CD1-CE2 3.3Å; Y874-Y883 AromaticContact CD1-CZ 3.7Å; Y874-Y883 HydrophobicContact CE1-CE2 4.06Å; Y874-Y883 HydrophobicContact CG-CD2 4.17Å; Y874-Y883 AromaticContact CG-CE2 3.63Å; Y874-Y883 HydrophobicContact CG-CE2 3.63Å; Y874-Y883 CarbonylContact O-C 3.33Å; Y874-Y883 WeakPolarHBondContact O-CA 3.05Å; W875-Y883 HydrophobicContact CZ2-CD2 4.27Å; Y883-T885 HydrophobicContact CD1-CG2 4.12Å; Y883-T885 HydrophobicContact CE1-CG2 4.02Å
884A93.9Very high91.7Very high0 Ų044.9 Ų44.90%025%0.251CS..EExtended strand (participates in β ladder)trans-79.6117.417400000110.7Y874 L877 V882 F886Y874-A884 PolarHBondContact O-N 3.48Å; L877-A884 HydrophobicContact CB-CB 4.26Å; L877-A884 HydrophobicContact CD2-CB 3.84Å; V882-A884 PolarHBondContact O-N 3.06Å; A884-F886 VanDerWaalsContact C-N 3.31Å; A884-F886 HydrophobicContact CB-CE1 4.35Å; A884-F886 HydrophobicContact CB-CE2 4.34Å; A884-F886 HydrophobicContact CB-CZ 4.21Å; A884-F886 WeakPolarHBondContact O-CD2 2.88Å; A884-F886 WeakPolarHBondContact O-CE2 3.28Å
885T92.8Very high91.8Very high2 Ų245.8 Ų45.81%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-76.9-22174.868.40000112.2Q797 L849 Y883 D887Q797-T885 PolarHBondContact NE2-O 3.42Å; L849-T885 WeakPolarHBondContact CB-OG1 3.49Å; L849-T885 HydrophobicContact CD2-CG2 4.19Å; L849-T885 HydrophobicContact CG-CG2 4.33Å; L849-T885 WeakPolarHBondContact O-CB 3.43Å; L849-T885 WeakPolarHBondContact O-CG2 3.34Å; L849-T885 PolarHBondContact O-N 3.44Å; L849-T885 PolarHBondContact O-OG1 3.23Å; Y883-T885 HydrophobicContact CD1-CG2 4.12Å; Y883-T885 HydrophobicContact CE1-CG2 4.02Å; T885-D887 PolarHBondContact O-N 3.41Å; T885-D887 PolarHBondContact OG1-N 3.2Å; T885-D887 VanDerWaalsContact OG1-N 3.15Å
886F89.5Confident91.8Very high48 Ų4844.1 Ų44.121%0.21126%0.255CS..EExtended strand (participates in β ladder)trans64.623.6-170.2-51.9-82.6000114.6T873 Y874 L877 A884 R902 T903T873-F886 HydrophobicContact CG2-CE2 3.99Å; T873-F886 HydrophobicContact CG2-CZ 3.85Å; T873-F886 VanDerWaalsContact O-CZ 3.24Å; T873-F886 WeakPolarHBondContact O-CZ 3.44Å; Y874-F886 AromaticContact CD1-CE2 3.86Å; Y874-F886 HydrophobicContact CD1-CE2 3.86Å; Y874-F886 AromaticContact CE1-CE2 3.96Å; Y874-F886 HydrophobicContact CE1-CE2 3.96Å; L877-F886 HydrophobicContact CD2-CE1 4.28Å; A884-F886 VanDerWaalsContact C-N 3.31Å; A884-F886 HydrophobicContact CB-CE1 4.35Å; A884-F886 HydrophobicContact CB-CE2 4.34Å; A884-F886 HydrophobicContact CB-CZ 4.21Å; A884-F886 WeakPolarHBondContact O-CD2 2.88Å; A884-F886 WeakPolarHBondContact O-CE2 3.28Å; F886-R902 WeakPolarHBondContact O-CA 3.3Å; F886-T903 WeakPolarHBondContact O-CG2 3.28Å; F886-T903 PolarHBondContact O-N 3.16Å; F886-T903 PolarHBondContact O-OG1 3.12Å
887D89.4Confident91.9Very high14 Ų1441.1 Ų41.18%0.07523%0.233CC..EExtended strand (participates in β ladder)trans-112.1145.6170.9-68.7-54.4000110.5Y795 Q797 L849 T885 I899 R902Y795-D887 WeakPolarHBondContact CE2-OD2 3.35Å; Y795-D887 PolarHBondContact OH-OD2 3.17Å; Q797-D887 PolarHBondContact NE2-OD2 3.41Å; Q797-D887 VanDerWaalsContact NE2-OD2 3.15Å; L849-D887 WeakPolarHBondContact CB-O 3.42Å; L849-D887 PolarHBondContact N-O 3.12Å; T885-D887 PolarHBondContact O-N 3.41Å; T885-D887 PolarHBondContact OG1-N 3.2Å; T885-D887 VanDerWaalsContact OG1-N 3.15Å; D887-I899 HydrophobicContact CB-CG2 4.34Å; D887-R902 WeakPolarHBondContact OD1-CG 3.3Å
888W88.4Confident92.1Very high23 Ų2339.2 Ų39.29%0.08722%0.221CC..EExtended strand (participates in β ladder)trans-90.4148.7168.8-73.990.2000110E835 K846 G847 I899 L900 G901 T903E835-W888 HydrophobicContact CB-CH2 3.74Å; E835-W888 HydrophobicContact CB-CZ2 4.14Å; E835-W888 WeakPolarHBondContact OE2-CZ2 3.43Å; K846-W888 HydrophobicContact CD-CE3 4.28Å; K846-W888 HydrophobicContact CG-CD2 4.42Å; K846-W888 HydrophobicContact CG-CE3 3.5Å; K846-W888 HydrophobicContact CG-CZ3 3.92Å; G847-W888 WeakPolarHBondContact O-CA 3.19Å; G847-W888 VanDerWaalsContact O-CE3 3.31Å; W888-I899 CarbonylContact O-C 3.45Å; W888-L900 HydrophobicContact CB-CB 4.24Å; W888-L900 PolarHBondContact O-N 3.1Å; W888-G901 PolarHBondContact N-O 3.25Å; W888-T903 HydrophobicContact CG-CG2 4.36Å
889G91.7Very high92Very high1 Ų138.8 Ų38.81%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-155.2176.3170.300000113.9L832 G847 F898L832-G889 WeakPolarHBondContact CD2-O 3.3Å; G847-G889 PolarHBondContact N-O 3.1Å; G847-G889 PolarHBondContact O-N 3.32Å; G889-F898 CarbonylContact C-O 3.59Å; G889-F898 WeakPolarHBondContact CA-O 3.24Å
890I93.8Very high91.9Very high37 Ų3733.2 Ų33.219%0.1918%0.18CC..EExtended strand (participates in β ladder)trans-128.1156.616754.5171.2000108.5K846 H897 F898 L900K846-I890 HydrophobicContact CB-CG2 4.12Å; I890-H897 CarbonylContact O-C 3.51Å; I890-H897 WeakPolarHBondContact O-CA 3.45Å; I890-F898 HydrophobicContact CD1-CB 4.38Å; I890-F898 HydrophobicContact CD1-CD2 4.34Å; I890-F898 HydrophobicContact CG1-CB 3.76Å; I890-F898 HydrophobicContact CG1-CD2 4.03Å; I890-F898 HydrophobicContact CG1-CG 4.22Å; I890-F898 PolarHBondContact N-O 3.35Å; I890-F898 VanDerWaalsContact N-O 3.07Å; I890-F898 PolarHBondContact O-N 3.22Å; I890-L900 HydrophobicContact CG1-CD2 4.5Å; I890-L900 HydrophobicContact CG2-CD1 3.89Å
891R96Very high91.4Very high99 Ų9931.1 Ų31.137%0.37418%0.177SC..EExtended strand (participates in β ladder)trans-121.4124.6169.7-175.8-175.467.7-168.9-4.2108.4L832 N844 Y896 H897L832-R891 HydrophobicContact CD1-CB 3.76Å; L832-R891 VanDerWaalsContact CD1-N 3.3Å; N844-R891 PolarHBondContact N-O 3Å; R891-Y896 VanDerWaalsContact CA-O 3.31Å; R891-Y896 WeakPolarHBondContact CA-O 3.4Å; R891-H897 VanDerWaalsContact CD-CE1 3.46Å; R891-H897 WeakPolarHBondContact CD-CE1 3.38Å
892D95.2Very high91.1Very high13 Ų1330.3 Ų30.37%0.0716%0.161CC..  trans-77-179.5178.56926.9000112.9R817 N844 D894 G895 Y896 F898R817-D892 WeakPolarHBondContact CD-OD2 3.34Å; R817-D892 IonicContact CZ-OD2 3.33Å; R817-D892 IonicContact NE-OD2 2.78Å; R817-D892 VanDerWaalsContact NH1-CG 3.25Å; R817-D892 IonicContact NH1-OD1 3.55Å; R817-D892 IonicContact NH1-OD2 2.91Å; R817-D892 PolarHBondContact NH1-OD2 2.66Å; N844-D892 WeakPolarHBondContact OD1-CA 3.5Å; D892-D894 PolarHBondContact O-N 3.36Å; D892-D894 WeakPolarHBondContact OD1-CA 3.39Å; D892-D894 PolarHBondContact OD1-N 2.98Å; D892-G895 PolarHBondContact O-N 3.45Å; D892-G895 PolarHBondContact OD1-N 2.93Å; D892-Y896 PolarHBondContact N-O 3.13Å; D892-Y896 PolarHBondContact OD1-N 3.37Å; D892-Y896 WeakPolarHBondContact OD2-CB 3.5Å; D892-F898 HydrophobicContact CB-CE2 4.07Å; D892-F898 VanDerWaalsContact OD2-CE2 3.31Å; D892-F898 WeakPolarHBondContact OD2-CE2 3.37Å
893A95.3Very high89.9Confident78 Ų7831.3 Ų31.365%0.64517%0.167SC*.THydrogen-bonded Turntrans-67-23.7-177.600000113.3V843V843-A893 HydrophobicContact CG1-CB 3.95Å
894D93.7Very high88.6Confident99 Ų9933.9 Ų33.953%0.52918%0.181SC..THydrogen-bonded Turntrans-92.7-2180-57.1-46.6000111.8R817 D892 Y896R817-D894 IonicContact CZ-OD2 2.73Å; R817-D894 VanDerWaalsContact CZ-OD2 3.24Å; R817-D894 IonicContact NH1-OD2 4Å; R817-D894 PolarHBondContact NH1-OD2 2.74Å; R817-D894 IonicContact NH2-OD2 2.61Å; R817-D894 PolarHBondContact NH2-OD2 3.47Å; D892-D894 PolarHBondContact O-N 3.36Å; D892-D894 WeakPolarHBondContact OD1-CA 3.39Å; D892-D894 PolarHBondContact OD1-N 2.98Å; D894-Y896 HydrophobicContact CB-CD2 3.96Å; D894-Y896 HydrophobicContact CB-CE2 4.17Å
895G93.4Very high87.3Confident22 Ų2235.3 Ų35.323%0.22719%0.189CC..SBendtrans91.14.9175.800000115.1D892 H897D892-G895 PolarHBondContact O-N 3.45Å; D892-G895 PolarHBondContact OD1-N 2.93Å; G895-H897 PolarHBondContact O-CE1 3.24Å; G895-H897 PolarHBondContact O-ND1 2.99Å
896Y95.3Very high85.9Confident17 Ų1736.2 Ų36.27%0.06719%0.194CC..  trans-74140.3174.4-67.9-104.1000110I807 R814 P815 R817 S820 R891 D892 D894I807-Y896 HydrophobicContact CD1-CE1 3.9Å; R814-Y896 WeakPolarHBondContact CD-OH 3.37Å; R814-Y896 WeakPolarHBondContact CG-OH 3.34Å; P815-Y896 WeakPolarHBondContact O-CE1 3.42Å; P815-Y896 PolarHBondContact O-OH 3.31Å; R817-Y896 HydrophobicContact CB-CD1 3.66Å; R817-Y896 HydrophobicContact CB-CE1 3.83Å; R817-Y896 HydrophobicContact CB-CG 4.11Å; S820-Y896 WeakPolarHBondContact OG-CD1 3.39Å; R891-Y896 VanDerWaalsContact CA-O 3.31Å; R891-Y896 WeakPolarHBondContact CA-O 3.4Å; D892-Y896 PolarHBondContact N-O 3.13Å; D892-Y896 PolarHBondContact OD1-N 3.37Å; D892-Y896 WeakPolarHBondContact OD2-CB 3.5Å; D894-Y896 HydrophobicContact CB-CD2 3.96Å; D894-Y896 HydrophobicContact CB-CE2 4.17Å
897H95.3Very high85.1Confident7 Ų733.9 Ų33.93%0.03218%0.184CC..EExtended strand (participates in β ladder)trans-102.8144.3179.6-66.865.2000110.2M805 S820 P821 G822 I890 R891 G895M805-H897 HydrophobicContact CE-CB 4.21Å; M805-H897 HydrophobicContact SD-CB 3.39Å; M805-H897 WeakPolarHBondContact SD-CB 3.47Å; M805-H897 VanDerWaalsContact SD-CG 3.59Å; S820-H897 WeakPolarHBondContact CA-O 3.3Å; S820-H897 WeakPolarHBondContact CB-O 3.45Å; S820-H897 PolarHBondContact OG-O 3.31Å; P821-H897 VanDerWaalsContact CD-O 3.31Å; P821-H897 WeakPolarHBondContact CD-O 3.43Å; G822-H897 PolarHBondContact O-N 3.14Å; I890-H897 CarbonylContact O-C 3.51Å; I890-H897 WeakPolarHBondContact O-CA 3.45Å; R891-H897 VanDerWaalsContact CD-CE1 3.46Å; R891-H897 WeakPolarHBondContact CD-CE1 3.38Å; G895-H897 PolarHBondContact O-CE1 3.24Å; G895-H897 PolarHBondContact O-ND1 2.99Å
898F92Very high83.9Confident38 Ų3836.2 Ų36.217%0.16720%0.197CC..EExtended strand (participates in β ladder)trans-124.7130.4176.5-59.3-102.7000108.7R817 L818 G889 I890 D892R817-F898 HydrophobicContact CG-CE1 4.49Å; R817-F898 HydrophobicContact CG-CZ 4.05Å; L818-F898 WeakPolarHBondContact O-CE1 3.26Å; G889-F898 CarbonylContact C-O 3.59Å; G889-F898 WeakPolarHBondContact CA-O 3.24Å; I890-F898 HydrophobicContact CD1-CB 4.38Å; I890-F898 HydrophobicContact CD1-CD2 4.34Å; I890-F898 HydrophobicContact CG1-CB 3.76Å; I890-F898 HydrophobicContact CG1-CD2 4.03Å; I890-F898 HydrophobicContact CG1-CG 4.22Å; I890-F898 PolarHBondContact N-O 3.35Å; I890-F898 VanDerWaalsContact N-O 3.07Å; I890-F898 PolarHBondContact O-N 3.22Å; D892-F898 HydrophobicContact CB-CE2 4.07Å; D892-F898 VanDerWaalsContact OD2-CE2 3.31Å; D892-F898 WeakPolarHBondContact OD2-CE2 3.37Å
899I88.3Confident82.9Confident13 Ų1335.4 Ų35.47%0.06719%0.194CC..EExtended strand (participates in β ladder)trans-91.6110.7179.5-56.6-57.5000108.6Y795 M805 P821 L849 D887 W888 G901 R917Y795-I899 HydrophobicContact CD1-CD1 4.33Å; Y795-I899 HydrophobicContact CD2-CD1 4.06Å; Y795-I899 HydrophobicContact CD2-CG1 3.74Å; Y795-I899 HydrophobicContact CE1-CD1 4.36Å; Y795-I899 HydrophobicContact CE2-CD1 4.08Å; Y795-I899 HydrophobicContact CE2-CG1 4.12Å; Y795-I899 HydrophobicContact CE2-CG2 4.35Å; Y795-I899 HydrophobicContact CG-CD1 4.17Å; Y795-I899 HydrophobicContact CG-CG1 4.03Å; M805-I899 HydrophobicContact CE-CD1 3.55Å; M805-I899 HydrophobicContact CE-CG1 4.37Å; P821-I899 HydrophobicContact CG-CG1 4.14Å; L849-I899 HydrophobicContact CD2-CD1 3.82Å; D887-I899 HydrophobicContact CB-CG2 4.34Å; W888-I899 CarbonylContact O-C 3.45Å; I899-G901 VanDerWaalsContact C-N 3.31Å; I899-G901 PolarHBondContact O-N 2.99Å; I899-R917 WeakPolarHBondContact O-CD 3.42Å; I899-R917 VanDerWaalsContact O-CZ 3.29Å; I899-R917 PolarHBondContact O-NE 3.2Å; I899-R917 PolarHBondContact O-NH1 3.11Å
900L83.4Confident81.4Confident17 Ų1738 Ų389%0.08922%0.215CC..EExtended strand (participates in β ladder)trans-84.2-6.3-175.9-61.2179.9000113.6K846 W888 I890 R917 E918K846-L900 HydrophobicContact CD-CD1 3.97Å; K846-L900 HydrophobicContact CG-CD1 4Å; W888-L900 HydrophobicContact CB-CB 4.24Å; W888-L900 PolarHBondContact O-N 3.1Å; I890-L900 HydrophobicContact CG1-CD2 4.5Å; I890-L900 HydrophobicContact CG2-CD1 3.89Å; L900-R917 WeakPolarHBondContact O-CB 3.48Å; L900-E918 HydrophobicContact CD2-CG 4.3Å
901G76Confident79.2Confident17 Ų1739 Ų3918%0.17524%0.235CC..EExtended strand (participates in β ladder)trans124-178.1-179.500000112.2W888 I899W888-G901 PolarHBondContact N-O 3.25Å; I899-G901 VanDerWaalsContact C-N 3.31Å; I899-G901 PolarHBondContact O-N 2.99Å
902R78.5Confident77.3Confident84 Ų8438.7 Ų38.732%0.31724%0.238SC..EExtended strand (participates in β ladder)trans-81.2153.2-176.7-7117845.2105.36.6112.6F886 D887 D904 D905F886-R902 WeakPolarHBondContact O-CA 3.3Å; D887-R902 WeakPolarHBondContact OD1-CG 3.3Å; R902-D904 WeakPolarHBondContact CB-OD1 3.44Å; R902-D904 IonicContact CZ-OD1 2.61Å; R902-D904 VanDerWaalsContact CZ-OD1 3.24Å; R902-D904 IonicContact CZ-OD2 2.64Å; R902-D904 IonicContact NE-OD1 2.75Å; R902-D904 PolarHBondContact NE-OD1 3.07Å; R902-D904 IonicContact NE-OD2 3.58Å; R902-D904 IonicContact NH2-OD1 3.88Å; R902-D904 PolarHBondContact NH2-OD1 3.05Å; R902-D904 IonicContact NH2-OD2 3.97Å; R902-D904 PolarHBondContact NH2-OD2 2.68Å; R902-D904 PolarHBondContact O-N 2.68Å; R902-D905 HydrophobicContact CB-CB 4.42Å; R902-D905 PolarHBondContact O-N 2.83Å; R902-D905 VanDerWaalsContact O-N 3.1Å
903T70.4Confident75.6Confident24 Ų2443.5 Ų43.515%0.14726%0.255CS..G310 helixtrans-64.3-25.4179.458.50000114M848 F886 W888 V906M848-T903 HydrophobicContact CE-CG2 3.62Å; M848-T903 HydrophobicContact CG-CG2 4.12Å; M848-T903 HydrophobicContact SD-CG2 4.13Å; F886-T903 WeakPolarHBondContact O-CG2 3.28Å; F886-T903 PolarHBondContact O-N 3.16Å; F886-T903 PolarHBondContact O-OG1 3.12Å; W888-T903 HydrophobicContact CG-CG2 4.36Å; T903-V906 WeakPolarHBondContact O-CG2 3.31Å
904D67.9Low74.2Confident58 Ų5840.6 Ų40.631%0.3123%0.228SC..G310 helixtrans-89.1-6.217660.1-30.9000114.6R902 R1005R902-D904 WeakPolarHBondContact CB-OD1 3.44Å; R902-D904 IonicContact CZ-OD1 2.61Å; R902-D904 VanDerWaalsContact CZ-OD1 3.24Å; R902-D904 IonicContact CZ-OD2 2.64Å; R902-D904 IonicContact NE-OD1 2.75Å; R902-D904 PolarHBondContact NE-OD1 3.07Å; R902-D904 IonicContact NE-OD2 3.58Å; R902-D904 IonicContact NH2-OD1 3.88Å; R902-D904 PolarHBondContact NH2-OD1 3.05Å; R902-D904 IonicContact NH2-OD2 3.97Å; R902-D904 PolarHBondContact NH2-OD2 2.68Å; R902-D904 PolarHBondContact O-N 2.68Å; D904-R1005 IonicContact OD2-CZ 3.6Å; D904-R1005 IonicContact OD2-NE 2.66Å; D904-R1005 IonicContact OD2-NH2 2.67Å; D904-R1005 PolarHBondContact OD2-NH2 3.26Å
905D66.3Low72.9Confident30 Ų3036.1 Ų36.116%0.1621%0.206CC..G310 helixtrans-99.711.2176.6-69.7-26.5000112.4R902 T916R902-D905 HydrophobicContact CB-CB 4.42Å; R902-D905 PolarHBondContact O-N 2.83Å; R902-D905 VanDerWaalsContact O-N 3.1Å; D905-T916 VanDerWaalsContact O-CG2 3.27Å; D905-T916 WeakPolarHBondContact O-CG2 3.21Å
906V64.1Low72.4Confident21 Ų2135.3 Ų35.313%0.12720%0.197CC..  trans-71.2130.9-179.1176.30000111.5T903 R913T903-V906 WeakPolarHBondContact O-CG2 3.31Å; V906-R913 HydrophobicContact CG1-CB 3.7Å; V906-R913 HydrophobicContact CG1-CG 4.11Å
907I72.3Confident71.3Confident0 Ų035.1 Ų35.10%020%0.196CC..EExtended strand (participates in β ladder)trans-94.6121.7173-48.2-176.8000108.4V909 L914 T916 I919 V934 Q944 A946I907-V909 HydrophobicContact CG2-CG2 3.56Å; I907-L914 PolarHBondContact N-O 3.37Å; I907-L914 PolarHBondContact O-N 2.92Å; I907-T916 HydrophobicContact CD1-CG2 3.84Å; I907-T916 HydrophobicContact CG1-CG2 3.97Å; I907-I919 HydrophobicContact CD1-CD1 4.3Å; I907-V934 HydrophobicContact CD1-CG1 3.72Å; I907-Q944 HydrophobicContact CG2-CB 3.99Å; I907-A946 HydrophobicContact CD1-CB 3.81Å
908N64.7Low70.1Confident63 Ų6337.2 Ų37.234%0.33721%0.206SC..EExtended strand (participates in β ladder)trans-99.998.4175.8-169-15.9000110.7G911 H912 Q944N908-G911 WeakPolarHBondContact OD1-CA 3.49Å; N908-G911 PolarHBondContact OD1-N 2.92Å; N908-H912 WeakPolarHBondContact CA-O 3.5Å; N908-Q944 WeakPolarHBondContact O-CB 3.49Å; N908-Q944 PolarHBondContact O-N 3.32Å
909V67.7Low69.6Low5 Ų535.4 Ų35.43%0.0320%0.198CC..EExtended strand (participates in β ladder)trans-105109.2-179.2-171.60000109.4I907 G911 H912 L914 K942 Q944I907-V909 HydrophobicContact CG2-CG2 3.56Å; V909-G911 PolarHBondContact O-N 3.26Å; V909-G911 VanDerWaalsContact O-N 3.16Å; V909-H912 PolarHBondContact N-O 3.07Å; V909-H912 WeakPolarHBondContact O-CB 3.36Å; V909-H912 PolarHBondContact O-N 3.45Å; V909-L914 HydrophobicContact CB-CD1 4.35Å; V909-L914 HydrophobicContact CG2-CD1 4.07Å; V909-K942 HydrophobicContact CG1-CB 4.21Å; V909-K942 HydrophobicContact CG1-CD 3.97Å; V909-Q944 WeakPolarHBondContact CA-O 3.34Å; V909-Q944 WeakPolarHBondContact CG2-O 3.42Å
910A59.4Low69.5Low55 Ų5535.7 Ų35.746%0.45520%0.199SC..THydrogen-bonded Turntrans52.835.2178.900000113.8K942A910-K942 HydrophobicContact CB-CB 4.46Å; A910-K942 HydrophobicContact CB-CG 4.44Å; A910-K942 PolarHBondContact N-O 2.76Å
911G49Very low69.3Low60 Ų6038.4 Ų38.462%0.61921%0.211SC*.THydrogen-bonded Turntrans91.1-10.5-177.700000114.7N908 V909N908-G911 WeakPolarHBondContact OD1-CA 3.49Å; N908-G911 PolarHBondContact OD1-N 2.92Å; V909-G911 PolarHBondContact O-N 3.26Å; V909-G911 VanDerWaalsContact O-N 3.16Å
912H54.9Low69.5Low92 Ų9237.7 Ų37.743%0.42620%0.203SC..EExtended strand (participates in β ladder)trans-87.6122175.7-63.1-92.8000110.5N908 V909 L914 F982N908-H912 WeakPolarHBondContact CA-O 3.5Å; V909-H912 PolarHBondContact N-O 3.07Å; V909-H912 WeakPolarHBondContact O-CB 3.36Å; V909-H912 PolarHBondContact O-N 3.45Å; H912-L914 PolarHBondContact O-N 3.41Å; H912-F982 AromaticContact CD2-CD1 3.74Å; H912-F982 AromaticContact CD2-CE1 3.82Å; H912-F982 AromaticContact NE2-CE1 3.8Å; H912-F982 AromaticContact NE2-CZ 3.8Å
913R60Low70Confident113 Ų11333.7 Ų33.743%0.42619%0.188SC..EExtended strand (participates in β ladder)trans-91.898.4-179.7-68-169.185.3175.8-3.3111.1E835 K846 V906E835-R913 IonicContact OE2-CZ 3.98Å; E835-R913 IonicContact OE2-NH1 3.34Å; E835-R913 PolarHBondContact OE2-NH1 2.95Å; E835-R913 IonicContact OE2-NH2 3.79Å; K846-R913 PolarHBondContact NZ-O 2.97Å; K846-R913 VanDerWaalsContact NZ-O 3.09Å; V906-R913 HydrophobicContact CG1-CB 3.7Å; V906-R913 HydrophobicContact CG1-CG 4.11Å
914L65.4Low70.8Confident17 Ų1733.8 Ų33.89%0.08919%0.19CC..EExtended strand (participates in β ladder)trans-96.6136.9-178-66.9158.3000110.5I907 V909 H912 I919 I979 F982I907-L914 PolarHBondContact N-O 3.37Å; I907-L914 PolarHBondContact O-N 2.92Å; V909-L914 HydrophobicContact CB-CD1 4.35Å; V909-L914 HydrophobicContact CG2-CD1 4.07Å; H912-L914 PolarHBondContact O-N 3.41Å; L914-I919 HydrophobicContact CB-CD1 4.49Å; L914-I979 HydrophobicContact CD2-CG2 4.3Å; L914-F982 HydrophobicContact CD1-CB 4.35Å; L914-F982 WeakPolarHBondContact CD1-O 3.45Å
915G66.8Low71.5Confident6 Ų633.8 Ų33.86%0.06219%0.194CC..  trans-76.1138.9167.200000109.5R917 E918G915-R917 PolarHBondContact O-N 3Å; G915-E918 PolarHBondContact N-OE1 3.47Å; G915-E918 PolarHBondContact O-N 3.37Å
916T81.8Confident72.5Confident4 Ų433.5 Ų33.53%0.02519%0.192CC..Hα-helixtrans-55.4-36.4173.244.10000111.6D905 I907 E918 I919 E920 V934D905-T916 VanDerWaalsContact O-CG2 3.27Å; D905-T916 WeakPolarHBondContact O-CG2 3.21Å; I907-T916 HydrophobicContact CD1-CG2 3.84Å; I907-T916 HydrophobicContact CG1-CG2 3.97Å; T916-E918 PolarHBondContact O-N 2.89Å; T916-I919 PolarHBondContact O-N 3.09Å; T916-E920 VanDerWaalsContact O-CG 3.29Å; T916-E920 WeakPolarHBondContact O-CG 3.28Å; T916-E920 PolarHBondContact O-N 2.89Å; T916-V934 HydrophobicContact CG2-CB 4.46Å; T916-V934 HydrophobicContact CG2-CG1 4.41Å; T916-V934 WeakPolarHBondContact CG2-O 3.43Å
917R72.3Confident73.5Confident13 Ų1337.4 Ų37.45%0.04922%0.218CC..Hα-helixtrans-63.3-40.3-178.6-168.7-179.8170.6159.80.6113.8G819 I899 L900 G915 I919 E920 E921G819-R917 PolarHBondContact O-NH2 3.22Å; I899-R917 WeakPolarHBondContact O-CD 3.42Å; I899-R917 VanDerWaalsContact O-CZ 3.29Å; I899-R917 PolarHBondContact O-NE 3.2Å; I899-R917 PolarHBondContact O-NH1 3.11Å; L900-R917 WeakPolarHBondContact O-CB 3.48Å; G915-R917 PolarHBondContact O-N 3Å; R917-I919 PolarHBondContact O-N 3.23Å; R917-E920 PolarHBondContact O-N 3.38Å; R917-E920 VanDerWaalsContact O-N 3.15Å; R917-E921 HydrophobicContact CG-CG 4.18Å; R917-E921 IonicContact CZ-OE1 3.2Å; R917-E921 VanDerWaalsContact CZ-OE1 3.29Å; R917-E921 IonicContact NE-OE1 2.97Å; R917-E921 PolarHBondContact NE-OE1 2.87Å; R917-E921 IonicContact NH2-OE1 3.07Å; R917-E921 PolarHBondContact NH2-OE1 3.14Å; R917-E921 WeakPolarHBondContact O-CB 3.41Å; R917-E921 PolarHBondContact O-N 3.41Å
918E70Confident74.2Confident52 Ų5238.2 Ų38.224%0.24323%0.226CC..Hα-helixtrans-55.5-43.8178.8-66.2167.1-144.100109.4K846 L900 G915 T916 S922 I979K846-E918 IonicContact NZ-OE1 3.18Å; K846-E918 PolarHBondContact NZ-OE1 3.48Å; L900-E918 HydrophobicContact CD2-CG 4.3Å; G915-E918 PolarHBondContact N-OE1 3.47Å; G915-E918 PolarHBondContact O-N 3.37Å; T916-E918 PolarHBondContact O-N 2.89Å; E918-S922 PolarHBondContact O-N 3.4Å; E918-I979 VanDerWaalsContact C-CD1 3.42Å; E918-I979 HydrophobicContact CB-CD1 4.36Å; E918-I979 WeakPolarHBondContact O-CD1 3.09Å
919I82.7Confident75.3Confident0 Ų035.6 Ų35.60%021%0.212CC..Hα-helixtrans-71.2-43.9178-54173000111I907 L914 T916 R917 S922 I923 V934 A946 V975 I979 G983 P985I907-I919 HydrophobicContact CD1-CD1 4.3Å; L914-I919 HydrophobicContact CB-CD1 4.49Å; T916-I919 PolarHBondContact O-N 3.09Å; R917-I919 PolarHBondContact O-N 3.23Å; I919-S922 PolarHBondContact O-N 2.62Å; I919-I923 HydrophobicContact CG2-CD1 3.82Å; I919-I923 HydrophobicContact CG2-CG1 4.44Å; I919-I923 VanDerWaalsContact O-CG1 3.3Å; I919-I923 WeakPolarHBondContact O-CG1 3.46Å; I919-I923 PolarHBondContact O-N 3.06Å; I919-V934 HydrophobicContact CB-CG1 4.25Å; I919-V934 HydrophobicContact CB-CG2 4.18Å; I919-V934 HydrophobicContact CD1-CG1 4.14Å; I919-V934 HydrophobicContact CG2-CG1 4.13Å; I919-V934 HydrophobicContact CG2-CG2 3.8Å; I919-A946 HydrophobicContact CD1-CB 3.7Å; I919-V975 HydrophobicContact CG2-CG1 4.25Å; I919-V975 HydrophobicContact CG2-CG2 4.49Å; I919-I979 HydrophobicContact CB-CD1 4.36Å; I919-I979 HydrophobicContact CG1-CD1 4.12Å; I919-G983 WeakPolarHBondContact CD1-O 3.23Å; I919-P985 HydrophobicContact CG2-CG 4.05Å
920E86.3Confident76.2Confident19 Ų1937.6 Ų37.69%0.08923%0.23CC..Hα-helixtrans-63.1-40.4179.3-71.7168.2176.600112.8T916 R917 I923 S924 V932 V934 R1004T916-E920 VanDerWaalsContact O-CG 3.29Å; T916-E920 WeakPolarHBondContact O-CG 3.28Å; T916-E920 PolarHBondContact O-N 2.89Å; R917-E920 PolarHBondContact O-N 3.38Å; R917-E920 VanDerWaalsContact O-N 3.15Å; E920-I923 PolarHBondContact O-N 3.32Å; E920-S924 VanDerWaalsContact O-CB 3.24Å; E920-S924 WeakPolarHBondContact O-CB 3.29Å; E920-S924 PolarHBondContact O-N 3.44Å; E920-S924 PolarHBondContact O-OG 3.21Å; E920-V932 HydrophobicContact CB-CG1 3.89Å; E920-V932 HydrophobicContact CG-CG1 4.11Å; E920-V932 WeakPolarHBondContact O-CG1 3.24Å; E920-V934 HydrophobicContact CG-CB 3.77Å; E920-V934 HydrophobicContact CG-CG2 3.47Å; E920-V934 VanDerWaalsContact CG-CG2 3.47Å; E920-V934 PolarHBondContact OE1-N 2.93Å; E920-R1004 IonicContact OE1-CZ 2.73Å; E920-R1004 IonicContact OE1-NE 3.38Å; E920-R1004 PolarHBondContact OE1-NE 2.95Å; E920-R1004 VanDerWaalsContact OE1-NE 3.07Å; E920-R1004 IonicContact OE1-NH2 2.94Å; E920-R1004 PolarHBondContact OE1-NH2 2.85Å; E920-R1004 IonicContact OE2-CZ 2.74Å; E920-R1004 IonicContact OE2-NH2 3.92Å; E920-R1004 PolarHBondContact OE2-NH2 2.8Å
921E78.4Confident77.6Confident74 Ų7436.5 Ų36.535%0.34622%0.215SC..Hα-helixtrans-63.5-42.7176.4-79.6178.6174.800111R917 S924 S925R917-E921 HydrophobicContact CG-CG 4.18Å; R917-E921 IonicContact CZ-OE1 3.2Å; R917-E921 VanDerWaalsContact CZ-OE1 3.29Å; R917-E921 IonicContact NE-OE1 2.97Å; R917-E921 PolarHBondContact NE-OE1 2.87Å; R917-E921 IonicContact NH2-OE1 3.07Å; R917-E921 PolarHBondContact NH2-OE1 3.14Å; R917-E921 WeakPolarHBondContact O-CB 3.41Å; R917-E921 PolarHBondContact O-N 3.41Å; E921-S924 PolarHBondContact O-N 2.86Å; E921-S925 PolarHBondContact O-N 3.48Å; E921-S925 VanDerWaalsContact O-N 3.12Å
922S79.9Confident79.6Confident2 Ų234.1 Ų34.11%0.01419%0.189CC..Hα-helixtrans-61.4-47.6175.3-173.70000112.1E918 I919 S924 S925 L974 V975 Q978E918-S922 PolarHBondContact O-N 3.4Å; I919-S922 PolarHBondContact O-N 2.62Å; S922-S924 PolarHBondContact O-N 3.2Å; S922-S925 PolarHBondContact O-N 2.96Å; S922-S925 PolarHBondContact O-OG 3.04Å; S922-L974 WeakPolarHBondContact O-CD2 3.39Å; S922-V975 WeakPolarHBondContact OG-CA 3.44Å; S922-Q978 VanDerWaalsContact CA-OE1 3.23Å; S922-Q978 PolarHBondContact OG-OE1 3.05Å
923I90.5Very high81.3Confident0 Ų029.8 Ų29.80%017%0.169CC..Hα-helixtrans-64.7-40.3177.8-63.8170.7000111.3I919 E920 S925 H926 V929 V932 V934 A948 V950 I971 V975 P985I919-I923 HydrophobicContact CG2-CD1 3.82Å; I919-I923 HydrophobicContact CG2-CG1 4.44Å; I919-I923 VanDerWaalsContact O-CG1 3.3Å; I919-I923 WeakPolarHBondContact O-CG1 3.46Å; I919-I923 PolarHBondContact O-N 3.06Å; E920-I923 PolarHBondContact O-N 3.32Å; I923-S925 PolarHBondContact O-N 3.37Å; I923-H926 WeakPolarHBondContact O-CB 3.5Å; I923-H926 PolarHBondContact O-N 3.49Å; I923-V929 HydrophobicContact CG2-CG1 4.21Å; I923-V929 HydrophobicContact CG2-CG2 3.96Å; I923-V932 HydrophobicContact CB-CB 4.47Å; I923-V932 HydrophobicContact CB-CG1 4.26Å; I923-V932 HydrophobicContact CB-CG2 4.1Å; I923-V932 HydrophobicContact CD1-CG2 3.94Å; I923-V932 HydrophobicContact CG2-CB 3.95Å; I923-V932 HydrophobicContact CG2-CG1 4.21Å; I923-V932 HydrophobicContact CG2-CG2 3.7Å; I923-V934 HydrophobicContact CD1-CG2 3.98Å; I923-A948 HydrophobicContact CD1-CB 3.64Å; I923-V950 HydrophobicContact CG2-CG2 3.86Å; I923-I971 HydrophobicContact CB-CG2 4.25Å; I923-I971 HydrophobicContact CD1-CG2 4.34Å; I923-I971 HydrophobicContact CG1-CG2 3.8Å; I923-I971 HydrophobicContact CG2-CG2 3.7Å; I923-V975 HydrophobicContact CD1-CG2 4.18Å; I923-V975 HydrophobicContact CG1-CG2 3.44Å; I923-V975 VanDerWaalsContact CG1-CG2 3.44Å; I923-P985 HydrophobicContact CD1-CG 4.01Å
924S85.8Confident82.8Confident26 Ų2624.4 Ų24.418%0.18215%0.148CC..Hα-helixtrans-65.4-22.8179.6-59.20000113E920 E921 S922 H926 V932E920-S924 VanDerWaalsContact O-CB 3.24Å; E920-S924 WeakPolarHBondContact O-CB 3.29Å; E920-S924 PolarHBondContact O-N 3.44Å; E920-S924 PolarHBondContact O-OG 3.21Å; E921-S924 PolarHBondContact O-N 2.86Å; S922-S924 PolarHBondContact O-N 3.2Å; S924-H926 PolarHBondContact O-N 3.44Å; S924-V932 VanDerWaalsContact OG-CG1 3.24Å; S924-V932 WeakPolarHBondContact OG-CG1 3.47Å
925S82.7Confident84Confident58 Ų5823.8 Ų23.841%0.40615%0.145SC..THydrogen-bonded Turntrans-71.7-13.4173.177.90000113.3E921 S922 I923 Q978E921-S925 PolarHBondContact O-N 3.48Å; E921-S925 VanDerWaalsContact O-N 3.12Å; S922-S925 PolarHBondContact O-N 2.96Å; S922-S925 PolarHBondContact O-OG 3.04Å; I923-S925 PolarHBondContact O-N 3.37Å; S925-Q978 PolarHBondContact OG-NE2 3.32Å
926H88.5Confident85Confident24 Ų2423.7 Ų23.711%0.11115%0.145CC..SBendtrans-70.8128.5176.2-170.8-86.3000110.9I923 S924 G928 V929 I971 L974I923-H926 WeakPolarHBondContact O-CB 3.5Å; I923-H926 PolarHBondContact O-N 3.49Å; S924-H926 PolarHBondContact O-N 3.44Å; H926-G928 PolarHBondContact ND1-N 2.8Å; H926-G928 PolarHBondContact O-N 3.19Å; H926-G928 VanDerWaalsContact O-N 3.08Å; H926-V929 HydrophobicContact CB-CB 4.4Å; H926-V929 HydrophobicContact CB-CG2 3.8Å; H926-V929 PolarHBondContact O-N 2.94Å; H926-I971 HydrophobicContact CB-CG1 4.38Å; H926-L974 HydrophobicContact CB-CD2 3.67Å
927P84.1Confident85.2Confident102 Ų10224.4 Ų24.466%0.66215%0.149SC*.THydrogen-bonded Turntrans-61.3-29.1-171.321.4-32.6000113.9K953P927-K953 WeakPolarHBondContact O-CD 3.44Å; P927-K953 WeakPolarHBondContact O-CE 3.23Å; P927-K953 PolarHBondContact O-NZ 3.48Å
928G87.8Confident85.8Confident18 Ų1831.6 Ų31.619%0.18618%0.181CC..THydrogen-bonded Turntrans-82.8-3.5178.500000116H926 P952 K953H926-G928 PolarHBondContact ND1-N 2.8Å; H926-G928 PolarHBondContact O-N 3.19Å; H926-G928 VanDerWaalsContact O-N 3.08Å; G928-P952 WeakPolarHBondContact O-CA 3.28Å; G928-K953 PolarHBondContact O-N 3.31Å
929V88.3Confident86.3Confident7 Ų731.7 Ų31.74%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-94.4127.9-178.1173.40000109.9I923 H926 V932 V950 K953 I971I923-V929 HydrophobicContact CG2-CG1 4.21Å; I923-V929 HydrophobicContact CG2-CG2 3.96Å; H926-V929 HydrophobicContact CB-CB 4.4Å; H926-V929 HydrophobicContact CB-CG2 3.8Å; H926-V929 PolarHBondContact O-N 2.94Å; V929-V932 HydrophobicContact CG1-CB 4.35Å; V929-V950 HydrophobicContact CB-CG1 4.41Å; V929-V950 HydrophobicContact CG1-CG1 4.17Å; V929-V950 HydrophobicContact CG2-CG1 3.82Å; V929-K953 VanDerWaalsContact O-CE 3.22Å; V929-K953 WeakPolarHBondContact O-CE 3.47Å; V929-I971 HydrophobicContact CG2-CD1 3.85Å; V929-I971 HydrophobicContact CG2-CG1 4.31Å
930A85.7Confident86.1Confident48 Ų4837 Ų3740%0.39723%0.227SC..EExtended strand (participates in β ladder)trans-93-42.3172.300000111.5I951 K953A930-I951 WeakPolarHBondContact CA-O 3.23Å; A930-I951 HydrophobicContact CB-CB 4.43Å; A930-I951 HydrophobicContact CB-CG2 4.23Å; A930-I951 VanDerWaalsContact CB-O 3.31Å; A930-I951 WeakPolarHBondContact CB-O 3.21Å; A930-I951 PolarHBondContact N-O 3.44Å; A930-K953 HydrophobicContact CB-CG 3.84Å
931E88.8Confident85.5Confident31 Ų3143.7 Ų43.715%0.14526%0.262CS..EExtended strand (participates in β ladder)trans-153.7156.1177.2-162.5165.7-135.700110.3R756 V950 I951 L994 K996R756-E931 IonicContact CZ-OE1 3.2Å; R756-E931 IonicContact NH2-OE1 2.67Å; R756-E931 PolarHBondContact NH2-OE1 3.43Å; E931-V950 WeakPolarHBondContact O-CA 3.49Å; E931-I951 HydrophobicContact CB-CB 4.11Å; E931-I951 HydrophobicContact CB-CD1 3.99Å; E931-I951 HydrophobicContact CB-CG1 4.2Å; E931-I951 PolarHBondContact N-O 3.04Å; E931-I951 PolarHBondContact O-N 3.18Å; E931-L994 HydrophobicContact CB-CD1 4.12Å; E931-L994 HydrophobicContact CG-CD1 3.71Å; E931-K996 WeakPolarHBondContact OE1-CE 3.35Å; E931-K996 IonicContact OE1-NZ 3.22Å; E931-K996 PolarHBondContact OE1-NZ 3.48Å; E931-K996 VanDerWaalsContact OE2-CE 3.26Å; E931-K996 WeakPolarHBondContact OE2-CE 3.49Å; E931-K996 IonicContact OE2-NZ 2.72Å; E931-K996 PolarHBondContact OE2-NZ 3.02Å
932V91.6Very high85.2Confident11 Ų1144.3 Ų44.37%0.06726%0.264CS..EExtended strand (participates in β ladder)trans-143.6145.6178.960.50000111.4E920 I923 S924 V929 V934 A948 F949 V950E920-V932 HydrophobicContact CB-CG1 3.89Å; E920-V932 HydrophobicContact CG-CG1 4.11Å; E920-V932 WeakPolarHBondContact O-CG1 3.24Å; I923-V932 HydrophobicContact CB-CB 4.47Å; I923-V932 HydrophobicContact CB-CG1 4.26Å; I923-V932 HydrophobicContact CB-CG2 4.1Å; I923-V932 HydrophobicContact CD1-CG2 3.94Å; I923-V932 HydrophobicContact CG2-CB 3.95Å; I923-V932 HydrophobicContact CG2-CG1 4.21Å; I923-V932 HydrophobicContact CG2-CG2 3.7Å; S924-V932 VanDerWaalsContact OG-CG1 3.24Å; S924-V932 WeakPolarHBondContact OG-CG1 3.47Å; V929-V932 HydrophobicContact CG1-CB 4.35Å; V932-V934 HydrophobicContact CG2-CG2 4.13Å; V932-A948 HydrophobicContact CG2-CB 4.33Å; V932-F949 CarbonylContact C-O 3.56Å; V932-F949 VanDerWaalsContact CA-O 3.31Å; V932-F949 WeakPolarHBondContact CA-O 3.29Å; V932-V950 HydrophobicContact CB-CG2 4.25Å; V932-V950 HydrophobicContact CG2-CG2 3.89Å
933A90.6Very high84.8Confident0 Ų046.3 Ų46.30%029%0.285CS..EExtended strand (participates in β ladder)trans-126.8133.2164.600000110.1A948 F949 L994 M1002 I1007A933-A948 CarbonylContact O-C 3.55Å; A933-A948 WeakPolarHBondContact O-CA 3.27Å; A933-F949 PolarHBondContact N-O 2.88Å; A933-F949 PolarHBondContact O-N 2.87Å; A933-L994 HydrophobicContact CB-CD1 4.05Å; A933-L994 HydrophobicContact CB-CD2 3.75Å; A933-L994 HydrophobicContact CB-CG 4.48Å; A933-M1002 HydrophobicContact CB-CE 3.3Å; A933-M1002 HydrophobicContact CB-SD 4.39Å; A933-I1007 HydrophobicContact CB-CD1 4.05Å
934V90.6Very high84.4Confident0 Ų048.2 Ų48.20%029%0.294CS..EExtended strand (participates in β ladder)trans-114.3136.5175.1179.40000109.5I907 T916 I919 E920 I923 V932 A946 V947 A948I907-V934 HydrophobicContact CD1-CG1 3.72Å; T916-V934 HydrophobicContact CG2-CB 4.46Å; T916-V934 HydrophobicContact CG2-CG1 4.41Å; T916-V934 WeakPolarHBondContact CG2-O 3.43Å; I919-V934 HydrophobicContact CB-CG1 4.25Å; I919-V934 HydrophobicContact CB-CG2 4.18Å; I919-V934 HydrophobicContact CD1-CG1 4.14Å; I919-V934 HydrophobicContact CG2-CG1 4.13Å; I919-V934 HydrophobicContact CG2-CG2 3.8Å; E920-V934 HydrophobicContact CG-CB 3.77Å; E920-V934 HydrophobicContact CG-CG2 3.47Å; E920-V934 VanDerWaalsContact CG-CG2 3.47Å; E920-V934 PolarHBondContact OE1-N 2.93Å; I923-V934 HydrophobicContact CD1-CG2 3.98Å; V932-V934 HydrophobicContact CG2-CG2 4.13Å; V934-A946 HydrophobicContact CG1-CB 3.96Å; V934-V947 WeakPolarHBondContact CA-O 3.43Å; V934-A948 HydrophobicContact CG2-CB 4.05Å
935V89.9Confident84.5Confident4 Ų447.9 Ų47.92%0.02429%0.29CS..EExtended strand (participates in β ladder)trans-130.8149.3172.2-660000111V937 A946 V947 F949 R1004 I1007 Q1008V935-V937 HydrophobicContact CG2-CG2 3.99Å; V935-A946 WeakPolarHBondContact O-CA 3.17Å; V935-V947 HydrophobicContact CG2-CB 4.44Å; V935-V947 PolarHBondContact N-O 2.83Å; V935-V947 PolarHBondContact O-N 2.77Å; V935-F949 HydrophobicContact CG2-CE2 4.07Å; V935-R1004 HydrophobicContact CG1-CB 3.95Å; V935-R1004 HydrophobicContact CG1-CG 4.16Å; V935-R1004 WeakPolarHBondContact CG1-O 3.46Å; V935-I1007 HydrophobicContact CB-CG2 4.5Å; V935-I1007 HydrophobicContact CG1-CB 3.89Å; V935-I1007 HydrophobicContact CG1-CG2 3.86Å; V935-I1007 HydrophobicContact CG2-CG2 3.81Å; V935-Q1008 HydrophobicContact CB-CB 4.25Å; V935-Q1008 HydrophobicContact CG1-CB 4.43Å
936G87.7Confident84.8Confident5 Ų545.1 Ų45.15%0.05227%0.272CS..EExtended strand (participates in β ladder)trans-85.7119.1170.600000110.5V945 Q1008G936-V945 CarbonylContact C-O 3.54Å; G936-V945 WeakPolarHBondContact CA-O 3.24Å; G936-Q1008 WeakPolarHBondContact O-CG 3.44Å; G936-Q1008 PolarHBondContact O-NE2 3.47Å
937V88Confident85.1Confident18 Ų1844.5 Ų44.511%0.10927%0.269CS..EExtended strand (participates in β ladder)trans-107.9138.8178.6-1760000108.8V935 D939 Q944 V945 V947 C1011 E1012V935-V937 HydrophobicContact CG2-CG2 3.99Å; V937-D939 PolarHBondContact O-N 3.03Å; V937-Q944 CarbonylContact O-C 3.58Å; V937-Q944 WeakPolarHBondContact O-CA 3.46Å; V937-Q944 WeakPolarHBondContact O-CB 3.36Å; V937-V945 PolarHBondContact N-O 3.05Å; V937-V945 PolarHBondContact O-N 3.4Å; V937-V947 HydrophobicContact CB-CG2 4.06Å; V937-V947 HydrophobicContact CG2-CB 3.93Å; V937-V947 HydrophobicContact CG2-CG2 3.57Å; V937-C1011 HydrophobicContact CB-CB 4.42Å; V937-C1011 HydrophobicContact CG1-CB 3.94Å; V937-C1011 HydrophobicContact CG2-CB 3.53Å; V937-E1012 HydrophobicContact CG1-CG 3.91Å
938K83.5Confident85.5Confident165 Ų16539.6 Ų39.672%0.71724%0.238SC*.EExtended strand (participates in β ladder)trans-51.5129.7177-173.2-179.9179.7-176.30112.1G943 E1012K938-G943 WeakPolarHBondContact CA-O 3.35Å; K938-E1012 HydrophobicContact CB-CG 4.48Å; K938-E1012 WeakPolarHBondContact CB-OE1 3.44Å; K938-E1012 PolarHBondContact N-OE1 3.49Å
939D81.9Confident85.9Confident53 Ų5338.8 Ų38.828%0.28323%0.229SC..EExtended strand (participates in β ladder)trans-127.1137.4173.9-179.977.4000109.9V937 L941 K942 G943 V945V937-D939 PolarHBondContact O-N 3.03Å; D939-L941 VanDerWaalsContact C-N 3.29Å; D939-L941 PolarHBondContact O-N 3.33Å; D939-L941 PolarHBondContact OD2-N 2.79Å; D939-K942 HydrophobicContact CB-CB 4.4Å; D939-K942 WeakPolarHBondContact OD2-CB 3.23Å; D939-K942 PolarHBondContact OD2-N 3.17Å; D939-G943 PolarHBondContact N-O 2.96Å; D939-G943 CarbonylContact O-C 3.58Å; D939-G943 VanDerWaalsContact O-CA 3.27Å; D939-G943 WeakPolarHBondContact O-CA 3.49Å; D939-G943 PolarHBondContact O-N 3.06Å; D939-G943 VanDerWaalsContact O-O 3.12Å; D939-V945 HydrophobicContact CB-CB 4.41Å; D939-V945 HydrophobicContact CB-CG1 3.76Å; D939-V945 HydrophobicContact CB-CG2 4.12Å
940A76.8Confident86.1Confident112 Ų11238.5 Ų38.593%0.92623%0.227SC*.THydrogen-bonded Turntrans-67.8-28.6-173.600000113.5
941L75.2Confident86.4Confident160 Ų16037.5 Ų37.584%0.83822%0.215SC*.THydrogen-bonded Turntrans-99.5-44-174.3-177.166.5000111.8D939D939-L941 VanDerWaalsContact C-N 3.29Å; D939-L941 PolarHBondContact O-N 3.33Å; D939-L941 PolarHBondContact OD2-N 2.79Å
942K71.8Confident86.4Confident86 Ų8636.9 Ų36.937%0.37421%0.213SC..THydrogen-bonded Turntrans-95.5-3.3-174.3-63178.3177.1-179.30113.1V909 A910 D939 Q944 V945V909-K942 HydrophobicContact CG1-CB 4.21Å; V909-K942 HydrophobicContact CG1-CD 3.97Å; A910-K942 HydrophobicContact CB-CB 4.46Å; A910-K942 HydrophobicContact CB-CG 4.44Å; A910-K942 PolarHBondContact N-O 2.76Å; D939-K942 HydrophobicContact CB-CB 4.4Å; D939-K942 WeakPolarHBondContact OD2-CB 3.23Å; D939-K942 PolarHBondContact OD2-N 3.17Å; K942-Q944 WeakPolarHBondContact CB-O 3.5Å; K942-Q944 PolarHBondContact O-N 3.01Å; K942-V945 HydrophobicContact CB-CG1 4.29Å; K942-V945 HydrophobicContact CD-CG1 3.76Å
943G71.3Confident86Confident45 Ų4542.7 Ų42.746%0.46424%0.238SC..EExtended strand (participates in β ladder)trans82.4-61-173.100000111.1K938 D939K938-G943 WeakPolarHBondContact CA-O 3.35Å; D939-G943 PolarHBondContact N-O 2.96Å; D939-G943 CarbonylContact O-C 3.58Å; D939-G943 VanDerWaalsContact O-CA 3.27Å; D939-G943 WeakPolarHBondContact O-CA 3.49Å; D939-G943 PolarHBondContact O-N 3.06Å; D939-G943 VanDerWaalsContact O-O 3.12Å
944Q82.1Confident85.5Confident39 Ų3949.8 Ų49.818%0.18227%0.271CS..EExtended strand (participates in β ladder)trans-135.9161.7166.6-63.2178.2-53.300111.2I907 N908 V909 V937 K942I907-Q944 HydrophobicContact CG2-CB 3.99Å; N908-Q944 WeakPolarHBondContact O-CB 3.49Å; N908-Q944 PolarHBondContact O-N 3.32Å; V909-Q944 WeakPolarHBondContact CA-O 3.34Å; V909-Q944 WeakPolarHBondContact CG2-O 3.42Å; V937-Q944 CarbonylContact O-C 3.58Å; V937-Q944 WeakPolarHBondContact O-CA 3.46Å; V937-Q944 WeakPolarHBondContact O-CB 3.36Å; K942-Q944 WeakPolarHBondContact CB-O 3.5Å; K942-Q944 PolarHBondContact O-N 3.01Å
945V87.1Confident84.5Confident19 Ų1953.2 Ų53.212%0.11530%0.295CS..EExtended strand (participates in β ladder)trans-129.4151.7165.4-69.60000109.5G936 V937 D939 K942 A986G936-V945 CarbonylContact C-O 3.54Å; G936-V945 WeakPolarHBondContact CA-O 3.24Å; V937-V945 PolarHBondContact N-O 3.05Å; V937-V945 PolarHBondContact O-N 3.4Å; D939-V945 HydrophobicContact CB-CB 4.41Å; D939-V945 HydrophobicContact CB-CG1 3.76Å; D939-V945 HydrophobicContact CB-CG2 4.12Å; K942-V945 HydrophobicContact CB-CG1 4.29Å; K942-V945 HydrophobicContact CD-CG1 3.76Å; V945-A986 HydrophobicContact CB-CB 3.92Å; V945-A986 HydrophobicContact CG2-CB 3.72Å
946A90Very high83.4Confident1 Ų159.5 Ų59.51%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-74.9138.3172.600000110.5I907 I919 V934 V935 P985 A986I907-A946 HydrophobicContact CD1-CB 3.81Å; I919-A946 HydrophobicContact CD1-CB 3.7Å; V934-A946 HydrophobicContact CG1-CB 3.96Å; V935-A946 WeakPolarHBondContact O-CA 3.17Å; A946-P985 CarbonylContact O-C 3.56Å; A946-P985 VanDerWaalsContact O-CA 3.26Å; A946-P985 WeakPolarHBondContact O-CA 3.43Å; A946-A986 PolarHBondContact O-N 3.35Å
947V93.7Very high82.3Confident10 Ų1061.9 Ų61.96%0.06134%0.344CS..EExtended strand (participates in β ladder)trans-124.8129.7168.8176.90000107.3V934 V935 V937 F949 H987V934-V947 WeakPolarHBondContact CA-O 3.43Å; V935-V947 HydrophobicContact CG2-CB 4.44Å; V935-V947 PolarHBondContact N-O 2.83Å; V935-V947 PolarHBondContact O-N 2.77Å; V937-V947 HydrophobicContact CB-CG2 4.06Å; V937-V947 HydrophobicContact CG2-CB 3.93Å; V937-V947 HydrophobicContact CG2-CG2 3.57Å; V947-F949 HydrophobicContact CG1-CD2 4.49Å; V947-F949 HydrophobicContact CG1-CE2 3.78Å; V947-F949 HydrophobicContact CG1-CZ 3.99Å; V947-H987 HydrophobicContact CG1-CB 4.47Å
948A94.3Very high81.6Confident0 Ų062.2 Ų62.20%035%0.345CS..EExtended strand (participates in β ladder)trans-106.2139.7-179.600000110.7I923 V932 A933 V934 P985 H987 V988 W989I923-A948 HydrophobicContact CD1-CB 3.64Å; V932-A948 HydrophobicContact CG2-CB 4.33Å; A933-A948 CarbonylContact O-C 3.55Å; A933-A948 WeakPolarHBondContact O-CA 3.27Å; V934-A948 HydrophobicContact CG2-CB 4.05Å; A948-P985 HydrophobicContact CB-CB 4.23Å; A948-P985 HydrophobicContact CB-CG 4.1Å; A948-H987 PolarHBondContact N-O 3.37Å; A948-V988 HydrophobicContact CB-CG1 4.33Å; A948-V988 HydrophobicContact CB-CG2 4.28Å; A948-V988 WeakPolarHBondContact O-CA 3.2Å; A948-W989 PolarHBondContact O-N 2.89Å
949F94.6Very high81.1Confident0 Ų062.8 Ų62.80%035%0.351CS..EExtended strand (participates in β ladder)trans-116.3117.4170.4-65.2-89.2000107.7V932 A933 V935 V947 W989 V991 L994 I1007 C1011 I1031 M1035V932-F949 CarbonylContact C-O 3.56Å; V932-F949 VanDerWaalsContact CA-O 3.31Å; V932-F949 WeakPolarHBondContact CA-O 3.29Å; A933-F949 PolarHBondContact N-O 2.88Å; A933-F949 PolarHBondContact O-N 2.87Å; V935-F949 HydrophobicContact CG2-CE2 4.07Å; V947-F949 HydrophobicContact CG1-CD2 4.49Å; V947-F949 HydrophobicContact CG1-CE2 3.78Å; V947-F949 HydrophobicContact CG1-CZ 3.99Å; F949-W989 CarbonylContact C-O 3.46Å; F949-W989 WeakPolarHBondContact CA-O 3.25Å; F949-W989 HydrophobicContact CD1-CB 3.77Å; F949-W989 HydrophobicContact CD1-CG 4.41Å; F949-W989 HydrophobicContact CE1-CB 3.89Å; F949-W989 AromaticContact CE1-CD1 3.71Å; F949-W989 HydrophobicContact CE1-CG 4.08Å; F949-W989 AromaticContact CZ-CD1 3.92Å; F949-V991 HydrophobicContact CB-CG2 4.29Å; F949-V991 HydrophobicContact CD1-CG1 4.16Å; F949-L994 HydrophobicContact CB-CD2 3.67Å; F949-I1007 HydrophobicContact CD2-CG2 3.62Å; F949-I1007 HydrophobicContact CE2-CG2 3.31Å; F949-I1007 HydrophobicContact CZ-CG2 4.02Å; F949-C1011 VanDerWaalsContact CZ-SG 3.57Å; F949-I1031 HydrophobicContact CD1-CG1 4.09Å; F949-I1031 HydrophobicContact CD1-CG2 4.44Å; F949-I1031 HydrophobicContact CE1-CB 4.33Å; F949-I1031 HydrophobicContact CE1-CG1 4.19Å; F949-I1031 HydrophobicContact CE1-CG2 3.71Å; F949-I1031 HydrophobicContact CZ-CG2 3.9Å; F949-M1035 HydrophobicContact CE1-CG 4.26Å; F949-M1035 HydrophobicContact CE1-SD 4.46Å; F949-M1035 HydrophobicContact CZ-CG 4.36Å; F949-M1035 HydrophobicContact CZ-SD 4.08Å
950V93.5Very high81Confident1 Ų164.4 Ų64.41%0.00636%0.359CS..EExtended strand (participates in β ladder)trans-114.5129.5-170.9165.60000109.7I923 V929 E931 V932 P952 I971 V988 W989 F990 V991I923-V950 HydrophobicContact CG2-CG2 3.86Å; V929-V950 HydrophobicContact CB-CG1 4.41Å; V929-V950 HydrophobicContact CG1-CG1 4.17Å; V929-V950 HydrophobicContact CG2-CG1 3.82Å; E931-V950 WeakPolarHBondContact O-CA 3.49Å; V932-V950 HydrophobicContact CB-CG2 4.25Å; V932-V950 HydrophobicContact CG2-CG2 3.89Å; V950-P952 WeakPolarHBondContact O-CD 3.27Å; V950-I971 HydrophobicContact CG1-CD1 4.4Å; V950-I971 HydrophobicContact CG2-CD1 4.45Å; V950-V988 HydrophobicContact CB-CG1 4.08Å; V950-V988 HydrophobicContact CG2-CG1 3.51Å; V950-W989 PolarHBondContact N-O 3.33Å; V950-F990 HydrophobicContact CB-CD1 4.06Å; V950-F990 HydrophobicContact CB-CE1 4.21Å; V950-F990 HydrophobicContact CG1-CD1 3.87Å; V950-F990 HydrophobicContact CG1-CE1 3.87Å; V950-F990 WeakPolarHBondContact O-CA 3.37Å; V950-V991 PolarHBondContact O-N 3.29Å
951I91.4Very high81.2Confident27 Ų2767.8 Ų67.814%0.13835%0.348CS..EExtended strand (participates in β ladder)trans-87.7115.3161.7-54.2-179.3000107.4A930 E931 V991 L994A930-I951 WeakPolarHBondContact CA-O 3.23Å; A930-I951 HydrophobicContact CB-CB 4.43Å; A930-I951 HydrophobicContact CB-CG2 4.23Å; A930-I951 VanDerWaalsContact CB-O 3.31Å; A930-I951 WeakPolarHBondContact CB-O 3.21Å; A930-I951 PolarHBondContact N-O 3.44Å; E931-I951 HydrophobicContact CB-CB 4.11Å; E931-I951 HydrophobicContact CB-CD1 3.99Å; E931-I951 HydrophobicContact CB-CG1 4.2Å; E931-I951 PolarHBondContact N-O 3.04Å; E931-I951 PolarHBondContact O-N 3.18Å; I951-V991 WeakPolarHBondContact CA-O 3.36Å; I951-V991 HydrophobicContact CG1-CG2 4.28Å; I951-L994 HydrophobicContact CD1-CB 4.35Å; I951-L994 HydrophobicContact CD1-CD1 4.1Å; I951-L994 HydrophobicContact CD1-CG 3.91Å; I951-L994 HydrophobicContact CG1-CD1 4.12Å; I951-L994 HydrophobicContact CG1-CG 3.94Å
952P89.7Confident81.6Confident18 Ų1866.3 Ų66.312%0.11734%0.341CS..EExtended strand (participates in β ladder)trans-76.7152.5176.931.8-34.3000111.4G928 V950 L958 F990 V991G928-P952 WeakPolarHBondContact O-CA 3.28Å; V950-P952 WeakPolarHBondContact O-CD 3.27Å; P952-L958 HydrophobicContact CB-CD1 3.36Å; P952-L958 HydrophobicContact CG-CD1 3.48Å; P952-L958 VanDerWaalsContact CG-CD1 3.48Å; P952-F990 HydrophobicContact CB-CD1 4.43Å; P952-V991 WeakPolarHBondContact CD-O 3.41Å
953K83.3Confident82.2Confident134 Ų13465 Ų6558%0.58334%0.34SS*.SBendtrans-70.9-30.9172-72.3-174.6-174.7152.80113.2P927 G928 V929 A930P927-K953 WeakPolarHBondContact O-CD 3.44Å; P927-K953 WeakPolarHBondContact O-CE 3.23Å; P927-K953 PolarHBondContact O-NZ 3.48Å; G928-K953 PolarHBondContact O-N 3.31Å; V929-K953 VanDerWaalsContact O-CE 3.22Å; V929-K953 WeakPolarHBondContact O-CE 3.47Å; A930-K953 HydrophobicContact CB-CG 3.84Å
954E79.8Confident82.8Confident149 Ų14963.9 Ų63.970%0.69633%0.326SS*.  trans-125.786-179.3-68.1-178-176.800109.6D956 S957E954-D956 VanDerWaalsContact C-N 3.35Å; E954-D956 PolarHBondContact O-N 3.33Å; E954-S957 PolarHBondContact O-OG 2.95Å
955S69.8Low83.1Confident71 Ų7166 Ų6650%0.49734%0.336SS..G310 helixtrans-62.4-37.1-176.445.30000113.7S957 L958S955-S957 PolarHBondContact O-N 2.8Å; S955-S957 VanDerWaalsContact O-N 3.13Å; S955-L958 PolarHBondContact O-N 2.91Å; S955-L958 VanDerWaalsContact O-N 3.11Å
956D66.6Low83.1Confident136 Ų13668.7 Ų68.773%0.72736%0.355SS*.G310 helixtrans-66.2-22.3-169.2-56.9-5.5000112.8E954 L958E954-D956 VanDerWaalsContact C-N 3.35Å; E954-D956 PolarHBondContact O-N 3.33Å; D956-L958 VanDerWaalsContact C-N 3.34Å
957S65Low83.2Confident56 Ų5671.1 Ų71.139%0.39237%0.367SS..G310 helixtrans-78.5-15.5179.467.60000114.1E954 S955 V963E954-S957 PolarHBondContact O-OG 2.95Å; S955-S957 PolarHBondContact O-N 2.8Å; S955-S957 VanDerWaalsContact O-N 3.13Å; S957-V963 WeakPolarHBondContact O-CG1 3.45Å
958L72.6Confident83.1Confident25 Ų2572 Ų7213%0.13137%0.37CS..G310 helixtrans-98.92.8-170.8-65.2164.9000113.5P952 S955 D956 D960 V963 A964 Q967 F990P952-L958 HydrophobicContact CB-CD1 3.36Å; P952-L958 HydrophobicContact CG-CD1 3.48Å; P952-L958 VanDerWaalsContact CG-CD1 3.48Å; S955-L958 PolarHBondContact O-N 2.91Å; S955-L958 VanDerWaalsContact O-N 3.11Å; D956-L958 VanDerWaalsContact C-N 3.34Å; L958-D960 PolarHBondContact O-N 3.41Å; L958-V963 HydrophobicContact CD2-CG1 4.3Å; L958-A964 HydrophobicContact CD2-CB 4.09Å; L958-Q967 HydrophobicContact CD2-CB 3.98Å; L958-Q967 HydrophobicContact CD2-CG 4.23Å; L958-F990 HydrophobicContact CD1-CB 4.5Å; L958-F990 HydrophobicContact CD1-CD1 3.93Å; L958-F990 HydrophobicContact CD1-CE1 4.34Å; L958-F990 HydrophobicContact CD1-CG 4.09Å; L958-F990 HydrophobicContact CD2-CE2 4.5Å
959E73.7Confident83.1Confident177 Ų17777.7 Ų77.783%0.82740%0.395SS*.G310 helixtrans-64.7-25.2168.1-65.1-171.6170.300111.7
960D80Confident83Confident86 Ų8679.6 Ų79.646%0.4641%0.411SS..SBendtrans-79.5116.2170.4-173-22.2000110.5L958 D962 V963 A964L958-D960 PolarHBondContact O-N 3.41Å; D960-D962 VanDerWaalsContact C-N 3.26Å; D960-D962 PolarHBondContact O-N 2.97Å; D960-D962 PolarHBondContact OD1-N 3.32Å; D960-V963 HydrophobicContact CB-CB 4.11Å; D960-V963 HydrophobicContact CB-CG2 3.79Å; D960-V963 WeakPolarHBondContact O-CB 3.12Å; D960-V963 PolarHBondContact O-N 3.48Å; D960-V963 VanDerWaalsContact O-N 3.12Å; D960-A964 PolarHBondContact O-N 3.38Å
961R80.8Confident83Confident183 Ų18379.5 Ų79.569%0.69141%0.41SS*.Hα-helixtrans-57.6-35.1-179.9-74.8-174.8171.8-150-14.2113.3H965 E1037R961-H965 VanDerWaalsContact O-CB 3.3Å; R961-H965 WeakPolarHBondContact O-CB 3.46Å; R961-H965 PolarHBondContact O-N 2.85Å; R961-E1037 PolarHBondContact NH2-O 3.19Å
962D82.4Confident83Confident130 Ų13079.7 Ų79.770%0.69541%0.411SS*.Hα-helixtrans-70.6-36.8179.9-76.2-24000110.8D960 S966D960-D962 VanDerWaalsContact C-N 3.26Å; D960-D962 PolarHBondContact O-N 2.97Å; D960-D962 PolarHBondContact OD1-N 3.32Å; D962-S966 WeakPolarHBondContact O-CB 3.36Å; D962-S966 PolarHBondContact O-N 3.45Å
963V83.9Confident83Confident59 Ų5981.5 Ų81.536%0.35843%0.427SS..Hα-helixtrans-67.8-47.1174.8-178.90000110.4S957 L958 D960 H965 S966 Q967S957-V963 WeakPolarHBondContact O-CG1 3.45Å; L958-V963 HydrophobicContact CD2-CG1 4.3Å; D960-V963 HydrophobicContact CB-CB 4.11Å; D960-V963 HydrophobicContact CB-CG2 3.79Å; D960-V963 WeakPolarHBondContact O-CB 3.12Å; D960-V963 PolarHBondContact O-N 3.48Å; D960-V963 VanDerWaalsContact O-N 3.12Å; V963-H965 VanDerWaalsContact C-N 3.35Å; V963-H965 PolarHBondContact O-N 3.12Å; V963-S966 PolarHBondContact O-N 2.93Å; V963-Q967 WeakPolarHBondContact O-CB 3.41Å; V963-Q967 PolarHBondContact O-N 2.75Å
964A85.6Confident83.3Confident20 Ų2077 Ų7717%0.16541%0.409CS..Hα-helixtrans-58.6-45.317700000112.2L958 D960 S966 Q967 E968 F990L958-A964 HydrophobicContact CD2-CB 4.09Å; D960-A964 PolarHBondContact O-N 3.38Å; A964-S966 PolarHBondContact O-N 2.82Å; A964-Q967 PolarHBondContact O-N 2.78Å; A964-E968 PolarHBondContact O-N 2.63Å; A964-F990 HydrophobicContact CB-CD2 4.36Å; A964-F990 HydrophobicContact CB-CE2 4.38Å; A964-F990 WeakPolarHBondContact O-CE2 3.33Å
965H87.2Confident83.5Confident84 Ų8469.9 Ų69.939%0.38938%0.376SS..Hα-helixtrans-66.8-36.1178.2-172.457.1000113R961 V963 Q967 E968 K969R961-H965 VanDerWaalsContact O-CB 3.3Å; R961-H965 WeakPolarHBondContact O-CB 3.46Å; R961-H965 PolarHBondContact O-N 2.85Å; V963-H965 VanDerWaalsContact C-N 3.35Å; V963-H965 PolarHBondContact O-N 3.12Å; H965-Q967 VanDerWaalsContact C-N 3.34Å; H965-E968 IonicContact ND1-OE2 3.38Å; H965-E968 PolarHBondContact ND1-OE2 2.76Å; H965-K969 PolarHBondContact CD2-NZ 2.99Å; H965-K969 WeakPolarHBondContact NE2-CE 3.28Å; H965-K969 PolarHBondContact NE2-NZ 3.02Å; H965-K969 WeakPolarHBondContact O-CG 3.24Å; H965-K969 PolarHBondContact O-N 3.49Å; H965-K969 VanDerWaalsContact O-N 3.09Å
966S88.6Confident83.9Confident75 Ų7569.1 Ų69.152%0.52437%0.367SS..Hα-helixtrans-63.4-41.2172.4-1760000111.6D962 V963 A964 K969 A970D962-S966 WeakPolarHBondContact O-CB 3.36Å; D962-S966 PolarHBondContact O-N 3.45Å; V963-S966 PolarHBondContact O-N 2.93Å; A964-S966 PolarHBondContact O-N 2.82Å; S966-K969 PolarHBondContact O-N 3.23Å; S966-A970 PolarHBondContact O-N 2.76Å
967Q90.1Very high84.4Confident53 Ų5367 Ų6725%0.24836%0.362CS..Hα-helixtrans-68.4-42.6179.4-161.776.9-17.500111.9L958 V963 A964 H965 K969 A970 I971 F990L958-Q967 HydrophobicContact CD2-CB 3.98Å; L958-Q967 HydrophobicContact CD2-CG 4.23Å; V963-Q967 WeakPolarHBondContact O-CB 3.41Å; V963-Q967 PolarHBondContact O-N 2.75Å; A964-Q967 PolarHBondContact O-N 2.78Å; H965-Q967 VanDerWaalsContact C-N 3.34Å; Q967-K969 VanDerWaalsContact C-N 3.34Å; Q967-K969 PolarHBondContact O-N 3.02Å; Q967-A970 PolarHBondContact O-N 2.86Å; Q967-I971 HydrophobicContact CG-CD1 4.39Å; Q967-I971 WeakPolarHBondContact O-CG1 3.47Å; Q967-I971 PolarHBondContact O-N 3.36Å; Q967-F990 HydrophobicContact CB-CE2 4.34Å; Q967-F990 HydrophobicContact CB-CZ 3.75Å; Q967-F990 HydrophobicContact CG-CE1 4.06Å; Q967-F990 HydrophobicContact CG-CZ 3.75Å
968E93.5Very high85Confident28 Ų2869.5 Ų69.513%0.13137%0.368CS..Hα-helixtrans-55-50.3172168177.4-139.600110.5A964 H965 A970 I971 M972 H987 V988 F990A964-E968 PolarHBondContact O-N 2.63Å; H965-E968 IonicContact ND1-OE2 3.38Å; H965-E968 PolarHBondContact ND1-OE2 2.76Å; E968-A970 VanDerWaalsContact C-N 3.33Å; E968-A970 PolarHBondContact O-N 3.27Å; E968-I971 PolarHBondContact O-N 3.05Å; E968-M972 HydrophobicContact CG-CG 4.32Å; E968-M972 HydrophobicContact CG-SD 3.66Å; E968-M972 VanDerWaalsContact O-CG 3.28Å; E968-M972 WeakPolarHBondContact O-CG 3.45Å; E968-M972 PolarHBondContact O-N 3.3Å; E968-H987 IonicContact OE1-ND1 3.07Å; E968-V988 HydrophobicContact CB-CB 4.32Å; E968-V988 HydrophobicContact CG-CB 3.94Å; E968-V988 HydrophobicContact CG-CG2 4.25Å; E968-V988 PolarHBondContact OE1-N 3.25Å; E968-F990 HydrophobicContact CB-CE2 4.27Å
969K92.7Very high85Confident119 Ų11970.8 Ų70.852%0.51737%0.374SS..Hα-helixtrans-59.4-41.7178-80.4178.9177.1159.50112.8H965 S966 Q967 M972 A973H965-K969 PolarHBondContact CD2-NZ 2.99Å; H965-K969 WeakPolarHBondContact NE2-CE 3.28Å; H965-K969 PolarHBondContact NE2-NZ 3.02Å; H965-K969 WeakPolarHBondContact O-CG 3.24Å; H965-K969 PolarHBondContact O-N 3.49Å; H965-K969 VanDerWaalsContact O-N 3.09Å; S966-K969 PolarHBondContact O-N 3.23Å; Q967-K969 VanDerWaalsContact C-N 3.34Å; Q967-K969 PolarHBondContact O-N 3.02Å; K969-M972 PolarHBondContact O-N 3.27Å; K969-A973 VanDerWaalsContact O-CB 3.24Å; K969-A973 WeakPolarHBondContact O-CB 3.38Å; K969-A973 PolarHBondContact O-N 3.2Å
970A92.6Very high84.7Confident40 Ų4063.5 Ų63.533%0.33135%0.346SS..Hα-helixtrans-62.7-44178.600000111.6S966 Q967 E968 A973 L974S966-A970 PolarHBondContact O-N 2.76Å; Q967-A970 PolarHBondContact O-N 2.86Å; E968-A970 VanDerWaalsContact C-N 3.33Å; E968-A970 PolarHBondContact O-N 3.27Å; A970-A973 PolarHBondContact O-N 3.45Å; A970-L974 PolarHBondContact O-N 3.23Å
971I93.3Very high84.4Confident0 Ų063.3 Ų63.30%035%0.346CS..Hα-helixtrans-65-47.2176.6-67.9168000110.8I923 H926 V929 V950 Q967 E968 A973 L974 V975 V988 F990I923-I971 HydrophobicContact CB-CG2 4.25Å; I923-I971 HydrophobicContact CD1-CG2 4.34Å; I923-I971 HydrophobicContact CG1-CG2 3.8Å; I923-I971 HydrophobicContact CG2-CG2 3.7Å; H926-I971 HydrophobicContact CB-CG1 4.38Å; V929-I971 HydrophobicContact CG2-CD1 3.85Å; V929-I971 HydrophobicContact CG2-CG1 4.31Å; V950-I971 HydrophobicContact CG1-CD1 4.4Å; V950-I971 HydrophobicContact CG2-CD1 4.45Å; Q967-I971 HydrophobicContact CG-CD1 4.39Å; Q967-I971 WeakPolarHBondContact O-CG1 3.47Å; Q967-I971 PolarHBondContact O-N 3.36Å; E968-I971 PolarHBondContact O-N 3.05Å; I971-A973 VanDerWaalsContact C-N 3.32Å; I971-A973 PolarHBondContact O-N 3.43Å; I971-L974 WeakPolarHBondContact O-CB 3.49Å; I971-L974 PolarHBondContact O-N 3.45Å; I971-V975 PolarHBondContact O-N 2.75Å; I971-V975 VanDerWaalsContact O-N 3.12Å; I971-V988 HydrophobicContact CB-CG2 4.42Å; I971-V988 HydrophobicContact CD1-CG1 4.09Å; I971-V988 HydrophobicContact CG2-CG1 4.25Å; I971-V988 HydrophobicContact CG2-CG2 3.99Å; I971-F990 HydrophobicContact CD1-CE1 3.96Å; I971-F990 HydrophobicContact CD1-CZ 4.12Å
972M92.6Very high83.8Confident31 Ų3159.7 Ų59.715%0.15334%0.335CS..Hα-helixtrans-61.1-40.8177.7-69171.288.500112E968 K969 L974 V975 D976 R984 P985 V988E968-M972 HydrophobicContact CG-CG 4.32Å; E968-M972 HydrophobicContact CG-SD 3.66Å; E968-M972 VanDerWaalsContact O-CG 3.28Å; E968-M972 WeakPolarHBondContact O-CG 3.45Å; E968-M972 PolarHBondContact O-N 3.3Å; K969-M972 PolarHBondContact O-N 3.27Å; M972-L974 VanDerWaalsContact C-N 3.33Å; M972-V975 PolarHBondContact O-N 3.31Å; M972-D976 WeakPolarHBondContact O-CB 3.39Å; M972-D976 PolarHBondContact O-N 3.24Å; M972-R984 HydrophobicContact CB-CG 3.96Å; M972-R984 HydrophobicContact CE-CG 4.31Å; M972-R984 HydrophobicContact CG-CG 4.46Å; M972-P985 WeakPolarHBondContact CE-O 3.47Å; M972-V988 HydrophobicContact CG-CG2 3.79Å
973A89.5Confident83.4Confident56 Ų5653.5 Ų53.546%0.46330%0.302SS..Hα-helixtrans-65.8-36177.200000112.1K969 A970 I971 D976 S977K969-A973 VanDerWaalsContact O-CB 3.24Å; K969-A973 WeakPolarHBondContact O-CB 3.38Å; K969-A973 PolarHBondContact O-N 3.2Å; A970-A973 PolarHBondContact O-N 3.45Å; I971-A973 VanDerWaalsContact C-N 3.32Å; I971-A973 PolarHBondContact O-N 3.43Å; A973-D976 PolarHBondContact O-N 2.98Å; A973-S977 WeakPolarHBondContact O-CB 3.45Å; A973-S977 PolarHBondContact O-N 3.26Å
974L88.5Confident83.5Confident39 Ų3955.5 Ų55.520%0.20430%0.303CS..Hα-helixtrans-61.8-47.3174.4-174.662.9000111.2S922 H926 A970 I971 M972 D976 S977 Q978S922-L974 WeakPolarHBondContact O-CD2 3.39Å; H926-L974 HydrophobicContact CB-CD2 3.67Å; A970-L974 PolarHBondContact O-N 3.23Å; I971-L974 WeakPolarHBondContact O-CB 3.49Å; I971-L974 PolarHBondContact O-N 3.45Å; M972-L974 VanDerWaalsContact C-N 3.33Å; L974-D976 PolarHBondContact O-N 2.63Å; L974-S977 PolarHBondContact O-N 3.25Å; L974-S977 PolarHBondContact O-OG 3.37Å; L974-Q978 PolarHBondContact O-N 3.41Å; L974-Q978 VanDerWaalsContact O-N 3.09Å
975V84Confident83.7Confident0 Ų054.6 Ų54.60%030%0.295CS..Hα-helixtrans-62.5-43.2176.5-1790000111.7I919 S922 I923 I971 M972 S977 Q978 I979 G980 G983I919-V975 HydrophobicContact CG2-CG1 4.25Å; I919-V975 HydrophobicContact CG2-CG2 4.49Å; S922-V975 WeakPolarHBondContact OG-CA 3.44Å; I923-V975 HydrophobicContact CD1-CG2 4.18Å; I923-V975 HydrophobicContact CG1-CG2 3.44Å; I923-V975 VanDerWaalsContact CG1-CG2 3.44Å; I971-V975 PolarHBondContact O-N 2.75Å; I971-V975 VanDerWaalsContact O-N 3.12Å; M972-V975 PolarHBondContact O-N 3.31Å; V975-S977 PolarHBondContact O-N 3.02Å; V975-Q978 PolarHBondContact O-N 3.37Å; V975-I979 HydrophobicContact CG1-CB 4.28Å; V975-I979 HydrophobicContact CG1-CD1 3.87Å; V975-I979 HydrophobicContact CG1-CG1 4.22Å; V975-I979 WeakPolarHBondContact O-CB 3.46Å; V975-I979 PolarHBondContact O-N 2.86Å; V975-G980 PolarHBondContact O-N 3.43Å; V975-G983 WeakPolarHBondContact CG1-O 3.28Å
976D78.8Confident83.9Confident55 Ų5552.4 Ų52.429%0.29429%0.292SS..Hα-helixtrans-59.6-38.1176.4-157.41.6000111.2M972 A973 L974 G980 N981 R984M972-D976 WeakPolarHBondContact O-CB 3.39Å; M972-D976 PolarHBondContact O-N 3.24Å; A973-D976 PolarHBondContact O-N 2.98Å; L974-D976 PolarHBondContact O-N 2.63Å; D976-G980 WeakPolarHBondContact O-CA 3.31Å; D976-G980 PolarHBondContact O-N 2.91Å; D976-N981 WeakPolarHBondContact OD1-CA 3.39Å; D976-N981 WeakPolarHBondContact OD1-CB 3.31Å; D976-N981 PolarHBondContact OD1-N 3.3Å; D976-R984 IonicContact OD2-NH1 2.84Å; D976-R984 PolarHBondContact OD2-NH1 3.27Å
977S78.2Confident84Confident91 Ų9153 Ų5364%0.63629%0.286SS*.Hα-helixtrans-71.5-32.6178.676.70000114.4A973 L974 V975A973-S977 WeakPolarHBondContact O-CB 3.45Å; A973-S977 PolarHBondContact O-N 3.26Å; L974-S977 PolarHBondContact O-N 3.25Å; L974-S977 PolarHBondContact O-OG 3.37Å; V975-S977 PolarHBondContact O-N 3.02Å
978Q77.4Confident84.2Confident109 Ų10950.6 Ų50.651%0.50928%0.275SS..Hα-helixtrans-95.5-36.2-174.7-68.1-178.15.300113.2S922 S925 L974 V975S922-Q978 VanDerWaalsContact CA-OE1 3.23Å; S922-Q978 PolarHBondContact OG-OE1 3.05Å; S925-Q978 PolarHBondContact OG-NE2 3.32Å; L974-Q978 PolarHBondContact O-N 3.41Å; L974-Q978 VanDerWaalsContact O-N 3.09Å; V975-Q978 PolarHBondContact O-N 3.37Å
979I72Confident84.2Confident52 Ų5251.8 Ų51.827%0.26728%0.278SS..THydrogen-bonded Turntrans-115.3-27.2-173.8-47.1-176.3000111.5L914 E918 I919 V975L914-I979 HydrophobicContact CD2-CG2 4.3Å; E918-I979 VanDerWaalsContact C-CD1 3.42Å; E918-I979 HydrophobicContact CB-CD1 4.36Å; E918-I979 WeakPolarHBondContact O-CD1 3.09Å; I919-I979 HydrophobicContact CB-CD1 4.36Å; I919-I979 HydrophobicContact CG1-CD1 4.12Å; V975-I979 HydrophobicContact CG1-CB 4.28Å; V975-I979 HydrophobicContact CG1-CD1 3.87Å; V975-I979 HydrophobicContact CG1-CG1 4.22Å; V975-I979 WeakPolarHBondContact O-CB 3.46Å; V975-I979 PolarHBondContact O-N 2.86Å
980G67.4Low84.1Confident23 Ų2348.3 Ų48.324%0.23726%0.263CS..  trans95.1169.6-17400000113.7V975 D976 F982 G983 R984V975-G980 PolarHBondContact O-N 3.43Å; D976-G980 WeakPolarHBondContact O-CA 3.31Å; D976-G980 PolarHBondContact O-N 2.91Å; G980-F982 PolarHBondContact O-N 2.85Å; G980-G983 PolarHBondContact O-N 3.47Å; G980-R984 PolarHBondContact O-N 3.47Å
981N72.6Confident84.1Confident83 Ų8346.8 Ų46.844%0.44425%0.25SC..THydrogen-bonded Turntrans-60.4-21.7-170.6-168.418000114.8D976 R984D976-N981 WeakPolarHBondContact OD1-CA 3.39Å; D976-N981 WeakPolarHBondContact OD1-CB 3.31Å; D976-N981 PolarHBondContact OD1-N 3.3Å; N981-R984 PolarHBondContact OD1-NE 2.9Å; N981-R984 PolarHBondContact OD1-NH2 2.92Å
982F68.1Low83.7Confident107 Ų10750.4 Ų50.447%0.46928%0.275SS..THydrogen-bonded Turntrans-72.5-32174.4-56.2-76.5000112.6H912 L914 G980H912-F982 AromaticContact CD2-CD1 3.74Å; H912-F982 AromaticContact CD2-CE1 3.82Å; H912-F982 AromaticContact NE2-CE1 3.8Å; H912-F982 AromaticContact NE2-CZ 3.8Å; L914-F982 HydrophobicContact CD1-CB 4.35Å; L914-F982 WeakPolarHBondContact CD1-O 3.45Å; G980-F982 PolarHBondContact O-N 2.85Å
983G74.2Confident83.4Confident0 Ų051.5 Ų51.50%028%0.28CS..THydrogen-bonded Turntrans-82.8-19.4176.700000113.8I919 V975 G980 P985I919-G983 WeakPolarHBondContact CD1-O 3.23Å; V975-G983 WeakPolarHBondContact CG1-O 3.28Å; G980-G983 PolarHBondContact O-N 3.47Å; G983-P985 WeakPolarHBondContact O-CD 3.4Å
984R87Confident83.3Confident100 Ų10049.4 Ų49.438%0.37726%0.261SS..SBendtrans-57.6121.1179.6-170.117773.1-175.46.6110.6M972 D976 G980 N981M972-R984 HydrophobicContact CB-CG 3.96Å; M972-R984 HydrophobicContact CE-CG 4.31Å; M972-R984 HydrophobicContact CG-CG 4.46Å; D976-R984 IonicContact OD2-NH1 2.84Å; D976-R984 PolarHBondContact OD2-NH1 3.27Å; G980-R984 PolarHBondContact O-N 3.47Å; N981-R984 PolarHBondContact OD1-NE 2.9Å; N981-R984 PolarHBondContact OD1-NH2 2.92Å
985P89.7Confident83.1Confident1 Ų147.5 Ų47.51%0.00625%0.251CS..  trans-56147.1174-23.232.9000111.1I919 I923 A946 A948 M972 G983 H987 V988I919-P985 HydrophobicContact CG2-CG 4.05Å; I923-P985 HydrophobicContact CD1-CG 4.01Å; A946-P985 CarbonylContact O-C 3.56Å; A946-P985 VanDerWaalsContact O-CA 3.26Å; A946-P985 WeakPolarHBondContact O-CA 3.43Å; A948-P985 HydrophobicContact CB-CB 4.23Å; A948-P985 HydrophobicContact CB-CG 4.1Å; M972-P985 WeakPolarHBondContact CE-O 3.47Å; G983-P985 WeakPolarHBondContact O-CD 3.4Å; P985-H987 VanDerWaalsContact C-N 3.3Å; P985-H987 WeakPolarHBondContact CB-O 3.43Å; P985-V988 HydrophobicContact CB-CG2 4.3Å; P985-V988 HydrophobicContact CG-CG2 4.45Å
986A90.4Very high82.9Confident38 Ų3848.9 Ų48.931%0.31426%0.257SS..SBendtrans-69.5-34169.700000111.3V945 A946V945-A986 HydrophobicContact CB-CB 3.92Å; V945-A986 HydrophobicContact CG2-CB 3.72Å; A946-A986 PolarHBondContact O-N 3.35Å
987H92.1Very high82.4Confident87 Ų8746.9 Ų46.940%0.40325%0.247SC..EExtended strand (participates in β ladder)trans-144.9149.7177.3-67.8-69.8000110.9V947 A948 E968 P985 W989V947-H987 HydrophobicContact CG1-CB 4.47Å; A948-H987 PolarHBondContact N-O 3.37Å; E968-H987 IonicContact OE1-ND1 3.07Å; P985-H987 VanDerWaalsContact C-N 3.3Å; P985-H987 WeakPolarHBondContact CB-O 3.43Å; H987-W989 HydrophobicContact CB-CD2 4.43Å; H987-W989 HydrophobicContact CB-CZ2 3.97Å; H987-W989 AromaticContact CG-CZ2 3.79Å; H987-W989 AromaticContact ND1-CZ2 3.97Å
988V93.6Very high81.6Confident3 Ų345.8 Ų45.82%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-120.7105.8167.3-173.90000108.3A948 V950 E968 I971 M972 P985 F990A948-V988 HydrophobicContact CB-CG1 4.33Å; A948-V988 HydrophobicContact CB-CG2 4.28Å; A948-V988 WeakPolarHBondContact O-CA 3.2Å; V950-V988 HydrophobicContact CB-CG1 4.08Å; V950-V988 HydrophobicContact CG2-CG1 3.51Å; E968-V988 HydrophobicContact CB-CB 4.32Å; E968-V988 HydrophobicContact CG-CB 3.94Å; E968-V988 HydrophobicContact CG-CG2 4.25Å; E968-V988 PolarHBondContact OE1-N 3.25Å; I971-V988 HydrophobicContact CB-CG2 4.42Å; I971-V988 HydrophobicContact CD1-CG1 4.09Å; I971-V988 HydrophobicContact CG2-CG1 4.25Å; I971-V988 HydrophobicContact CG2-CG2 3.99Å; M972-V988 HydrophobicContact CG-CG2 3.79Å; P985-V988 HydrophobicContact CB-CG2 4.3Å; P985-V988 HydrophobicContact CG-CG2 4.45Å; V988-F990 HydrophobicContact CG1-CZ 4.42Å
989W93Very high80.6Confident54 Ų5442.9 Ų42.921%0.20522%0.22CC..EExtended strand (participates in β ladder)trans-93133.2179.4-60.1115.8000110.6A948 F949 V950 H987 A1034A948-W989 PolarHBondContact O-N 2.89Å; F949-W989 CarbonylContact C-O 3.46Å; F949-W989 WeakPolarHBondContact CA-O 3.25Å; F949-W989 HydrophobicContact CD1-CB 3.77Å; F949-W989 HydrophobicContact CD1-CG 4.41Å; F949-W989 HydrophobicContact CE1-CB 3.89Å; F949-W989 AromaticContact CE1-CD1 3.71Å; F949-W989 HydrophobicContact CE1-CG 4.08Å; F949-W989 AromaticContact CZ-CD1 3.92Å; V950-W989 PolarHBondContact N-O 3.33Å; H987-W989 HydrophobicContact CB-CD2 4.43Å; H987-W989 HydrophobicContact CB-CZ2 3.97Å; H987-W989 AromaticContact CG-CZ2 3.79Å; H987-W989 AromaticContact ND1-CZ2 3.97Å; W989-A1034 HydrophobicContact CB-CB 4.22Å; W989-A1034 WeakPolarHBondContact CZ3-O 3.36Å
990F92Very high80.2Confident45 Ų4541 Ų4120%0.19721%0.213CC..EExtended strand (participates in β ladder)trans-91.8127.9177.2-61.3-75.8000110.3V950 P952 L958 A964 Q967 E968 I971 V988V950-F990 HydrophobicContact CB-CD1 4.06Å; V950-F990 HydrophobicContact CB-CE1 4.21Å; V950-F990 HydrophobicContact CG1-CD1 3.87Å; V950-F990 HydrophobicContact CG1-CE1 3.87Å; V950-F990 WeakPolarHBondContact O-CA 3.37Å; P952-F990 HydrophobicContact CB-CD1 4.43Å; L958-F990 HydrophobicContact CD1-CB 4.5Å; L958-F990 HydrophobicContact CD1-CD1 3.93Å; L958-F990 HydrophobicContact CD1-CE1 4.34Å; L958-F990 HydrophobicContact CD1-CG 4.09Å; L958-F990 HydrophobicContact CD2-CE2 4.5Å; A964-F990 HydrophobicContact CB-CD2 4.36Å; A964-F990 HydrophobicContact CB-CE2 4.38Å; A964-F990 WeakPolarHBondContact O-CE2 3.33Å; Q967-F990 HydrophobicContact CB-CE2 4.34Å; Q967-F990 HydrophobicContact CB-CZ 3.75Å; Q967-F990 HydrophobicContact CG-CE1 4.06Å; Q967-F990 HydrophobicContact CG-CZ 3.75Å; E968-F990 HydrophobicContact CB-CE2 4.27Å; I971-F990 HydrophobicContact CD1-CE1 3.96Å; I971-F990 HydrophobicContact CD1-CZ 4.12Å; V988-F990 HydrophobicContact CG1-CZ 4.42Å
991V90.9Very high80.3Confident8 Ų844 Ų445%0.04822%0.22CC..  trans-132.9156179.6-65.30000109.7F949 V950 I951 P952 Q993 L994 I1031 A1034F949-V991 HydrophobicContact CB-CG2 4.29Å; F949-V991 HydrophobicContact CD1-CG1 4.16Å; V950-V991 PolarHBondContact O-N 3.29Å; I951-V991 WeakPolarHBondContact CA-O 3.36Å; I951-V991 HydrophobicContact CG1-CG2 4.28Å; P952-V991 WeakPolarHBondContact CD-O 3.41Å; V991-Q993 WeakPolarHBondContact CG2-O 3.48Å; V991-L994 HydrophobicContact CG2-CD2 3.93Å; V991-L994 HydrophobicContact CG2-CG 4.38Å; V991-I1031 HydrophobicContact CG1-CG1 4.49Å; V991-A1034 HydrophobicContact CG1-CB 4.02Å
992S86Confident80.6Confident77 Ų7740.9 Ų40.954%0.53820%0.203SC..SBendtrans-85.1-19177.671.80000113.1Q1030S992-Q1030 PolarHBondContact OG-NE2 3.38Å; S992-Q1030 PolarHBondContact OG-OE1 3.33Å
993Q85.6Confident81.2Confident53 Ų5337 Ų3725%0.24819%0.187CC..  trans-153155.5177.558.6-179.615.700112.3V991 D1024V991-Q993 WeakPolarHBondContact CG2-O 3.48Å; Q993-D1024 PolarHBondContact NE2-OD2 3.26Å; Q993-D1024 PolarHBondContact OE1-OD2 3.33Å
994L88.5Confident81.7Confident12 Ų1239.2 Ų39.26%0.06320%0.195CC..  trans-111.3141.1179.3-73.7169.2000111.2E931 A933 F949 I951 V991 K996 M1002E931-L994 HydrophobicContact CB-CD1 4.12Å; E931-L994 HydrophobicContact CG-CD1 3.71Å; A933-L994 HydrophobicContact CB-CD1 4.05Å; A933-L994 HydrophobicContact CB-CD2 3.75Å; A933-L994 HydrophobicContact CB-CG 4.48Å; F949-L994 HydrophobicContact CB-CD2 3.67Å; I951-L994 HydrophobicContact CD1-CB 4.35Å; I951-L994 HydrophobicContact CD1-CD1 4.1Å; I951-L994 HydrophobicContact CD1-CG 3.91Å; I951-L994 HydrophobicContact CG1-CD1 4.12Å; I951-L994 HydrophobicContact CG1-CG 3.94Å; V991-L994 HydrophobicContact CG2-CD2 3.93Å; V991-L994 HydrophobicContact CG2-CG 4.38Å; L994-K996 PolarHBondContact O-N 2.93Å; L994-M1002 HydrophobicContact CB-CE 3.88Å; L994-M1002 HydrophobicContact CB-SD 3.72Å; L994-M1002 HydrophobicContact CD1-CE 4.38Å; L994-M1002 HydrophobicContact CD1-SD 4.13Å; L994-M1002 HydrophobicContact CD2-CE 4.31Å; L994-M1002 HydrophobicContact CG-CE 4.42Å; L994-M1002 HydrophobicContact CG-SD 4.47Å
995P83.9Confident81.4Confident0 Ų039 Ų390%019%0.194CC..  trans-71.2115.1-179.727.5-33.7000110.9L1003 I1007 I1022 S1027 L1028 I1031P995-L1003 HydrophobicContact CB-CB 4.37Å; P995-L1003 HydrophobicContact CB-CD1 4.4Å; P995-L1003 WeakPolarHBondContact O-CB 3.31Å; P995-L1003 PolarHBondContact O-N 3.02Å; P995-I1007 HydrophobicContact CG-CD1 3.68Å; P995-I1007 HydrophobicContact CG-CG1 3.44Å; P995-I1007 VanDerWaalsContact CG-CG1 3.44Å; P995-I1022 HydrophobicContact CB-CD1 3.92Å; P995-S1027 WeakPolarHBondContact CA-OG 3.43Å; P995-S1027 WeakPolarHBondContact CB-OG 3.49Å; P995-L1028 HydrophobicContact CB-CD2 3.67Å; P995-L1028 HydrophobicContact CG-CD2 4.07Å; P995-I1031 HydrophobicContact CG-CD1 3.56Å
996K79.9Confident81Confident29 Ų2939.3 Ų39.313%0.12620%0.197CC..BIsolated β-bridgetrans-127.1158-179.8-64.2175.5-167.11780111.5E931 L994 K1001 M1002 I1022 D1023E931-K996 WeakPolarHBondContact OE1-CE 3.35Å; E931-K996 IonicContact OE1-NZ 3.22Å; E931-K996 PolarHBondContact OE1-NZ 3.48Å; E931-K996 VanDerWaalsContact OE2-CE 3.26Å; E931-K996 WeakPolarHBondContact OE2-CE 3.49Å; E931-K996 IonicContact OE2-NZ 2.72Å; E931-K996 PolarHBondContact OE2-NZ 3.02Å; L994-K996 PolarHBondContact O-N 2.93Å; K996-K1001 CarbonylContact C-O 3.56Å; K996-K1001 VanDerWaalsContact CA-O 3.25Å; K996-K1001 WeakPolarHBondContact CA-O 3.37Å; K996-M1002 HydrophobicContact CD-SD 4.18Å; K996-M1002 HydrophobicContact CG-CG 4.4Å; K996-M1002 HydrophobicContact CG-SD 3.53Å; K996-M1002 VanDerWaalsContact CG-SD 3.53Å; K996-I1022 WeakPolarHBondContact O-CA 3.36Å; K996-D1023 PolarHBondContact O-N 2.9Å
997T68.9Low80.9Confident12 Ų1237.5 Ų37.57%0.07418%0.182CC..BIsolated β-bridgetrans-69.4162.2162.970.80000110.1S999 G1000 K1001 L1003 T1021T997-S999 PolarHBondContact O-N 3.22Å; T997-S999 PolarHBondContact OG1-N 2.74Å; T997-S999 PolarHBondContact OG1-OG 3.35Å; T997-G1000 PolarHBondContact O-N 3.19Å; T997-K1001 HydrophobicContact CG2-CB 4Å; T997-K1001 PolarHBondContact N-O 3.33Å; T997-K1001 WeakPolarHBondContact OG1-CB 3.31Å; T997-K1001 PolarHBondContact OG1-N 3.37Å; T997-L1003 HydrophobicContact CG2-CD2 3.67Å; T997-L1003 HydrophobicContact CG2-CG 4.38Å; T997-T1021 WeakPolarHBondContact CA-O 3.37Å
998R60.7Low80.7Confident69 Ų6935.5 Ų35.526%0.2617%0.172SC..THydrogen-bonded Turntrans-61.3-10.7172.7-58.5-156.3-170.1172.54.2115.5F557 G559 T1021 D1023F557-R998 HydrophobicContact CE1-CB 3.74Å; F557-R998 HydrophobicContact CE1-CG 3.93Å; F557-R998 HydrophobicContact CE2-CB 4.41Å; F557-R998 HydrophobicContact CZ-CB 3.35Å; F557-R998 HydrophobicContact CZ-CG 3.92Å; G559-R998 VanDerWaalsContact CA-CZ 3.44Å; G559-R998 PolarHBondContact O-NH2 3.32Å; R998-T1021 PolarHBondContact N-O 3.01Å; R998-D1023 HydrophobicContact CG-CB 4.19Å; R998-D1023 WeakPolarHBondContact CG-OD1 3.32Å
999S56.8Low80.3Confident47 Ų4735.4 Ų35.433%0.32917%0.172SC..THydrogen-bonded Turntrans-96.76.7172.870.50000112.8T997T997-S999 PolarHBondContact O-N 3.22Å; T997-S999 PolarHBondContact OG1-N 2.74Å; T997-S999 PolarHBondContact OG1-OG 3.35Å
1000G62.4Low80Confident12 Ų1233.7 Ų33.712%0.12417%0.167CC..SBendtrans90.9-5.2-179.700000115.5T997 M1002T997-G1000 PolarHBondContact O-N 3.19Å; G1000-M1002 PolarHBondContact O-N 2.96Å
1001K69.1Low79.8Confident86 Ų8632.5 Ų32.537%0.37416%0.164SC..  trans-72123.3-175-178.1-177.9177.1178.90111.6K996 T997 L1003K996-K1001 CarbonylContact C-O 3.56Å; K996-K1001 VanDerWaalsContact CA-O 3.25Å; K996-K1001 WeakPolarHBondContact CA-O 3.37Å; T997-K1001 HydrophobicContact CG2-CB 4Å; T997-K1001 PolarHBondContact N-O 3.33Å; T997-K1001 WeakPolarHBondContact OG1-CB 3.31Å; T997-K1001 PolarHBondContact OG1-N 3.37Å; K1001-L1003 PolarHBondContact O-N 3.46Å
1002M80.9Confident79.6Confident19 Ų1934.9 Ų34.99%0.09417%0.174CC..BIsolated β-bridgetrans-58.1130.4173-79.2-60.3-47.200113.7A933 L994 K996 G1000 R1004 I1007A933-M1002 HydrophobicContact CB-CE 3.3Å; A933-M1002 HydrophobicContact CB-SD 4.39Å; L994-M1002 HydrophobicContact CB-CE 3.88Å; L994-M1002 HydrophobicContact CB-SD 3.72Å; L994-M1002 HydrophobicContact CD1-CE 4.38Å; L994-M1002 HydrophobicContact CD1-SD 4.13Å; L994-M1002 HydrophobicContact CD2-CE 4.31Å; L994-M1002 HydrophobicContact CG-CE 4.42Å; L994-M1002 HydrophobicContact CG-SD 4.47Å; K996-M1002 HydrophobicContact CD-SD 4.18Å; K996-M1002 HydrophobicContact CG-CG 4.4Å; K996-M1002 HydrophobicContact CG-SD 3.53Å; K996-M1002 VanDerWaalsContact CG-SD 3.53Å; G1000-M1002 PolarHBondContact O-N 2.96Å; M1002-R1004 HydrophobicContact CB-CG 4.49Å; M1002-R1004 PolarHBondContact O-N 3.07Å; M1002-I1007 HydrophobicContact CE-CD1 3.58Å
1003L80.3Confident79.5Confident25 Ų2534.7 Ų34.713%0.13119%0.185CC..  trans-89.558.5-178.7-65.9175.9000112.9P995 T997 K1001 R1005 T1006 I1007 I1022P995-L1003 HydrophobicContact CB-CB 4.37Å; P995-L1003 HydrophobicContact CB-CD1 4.4Å; P995-L1003 WeakPolarHBondContact O-CB 3.31Å; P995-L1003 PolarHBondContact O-N 3.02Å; T997-L1003 HydrophobicContact CG2-CD2 3.67Å; T997-L1003 HydrophobicContact CG2-CG 4.38Å; K1001-L1003 PolarHBondContact O-N 3.46Å; L1003-R1005 PolarHBondContact O-N 2.89Å; L1003-T1006 VanDerWaalsContact O-CB 3.32Å; L1003-T1006 WeakPolarHBondContact O-CB 3.31Å; L1003-T1006 PolarHBondContact O-N 3.34Å; L1003-I1007 PolarHBondContact O-N 3.43Å; L1003-I1022 HydrophobicContact CD1-CB 3.8Å; L1003-I1022 HydrophobicContact CD1-CD1 3.77Å; L1003-I1022 HydrophobicContact CD1-CG1 3.59Å
1004R84.6Confident79.6Confident46 Ų4638 Ų3817%0.17420%0.195CC..Hα-helixtrans-55.2-41.7-173.3-71.7-173.1-178.176.95115.1E920 V935 M1002 T1006 I1007 Q1008E920-R1004 IonicContact OE1-CZ 2.73Å; E920-R1004 IonicContact OE1-NE 3.38Å; E920-R1004 PolarHBondContact OE1-NE 2.95Å; E920-R1004 VanDerWaalsContact OE1-NE 3.07Å; E920-R1004 IonicContact OE1-NH2 2.94Å; E920-R1004 PolarHBondContact OE1-NH2 2.85Å; E920-R1004 IonicContact OE2-CZ 2.74Å; E920-R1004 IonicContact OE2-NH2 3.92Å; E920-R1004 PolarHBondContact OE2-NH2 2.8Å; V935-R1004 HydrophobicContact CG1-CB 3.95Å; V935-R1004 HydrophobicContact CG1-CG 4.16Å; V935-R1004 WeakPolarHBondContact CG1-O 3.46Å; M1002-R1004 HydrophobicContact CB-CG 4.49Å; M1002-R1004 PolarHBondContact O-N 3.07Å; R1004-T1006 VanDerWaalsContact C-N 3.26Å; R1004-T1006 PolarHBondContact O-N 3.35Å; R1004-I1007 PolarHBondContact O-N 2.87Å; R1004-Q1008 WeakPolarHBondContact O-CB 3.46Å; R1004-Q1008 PolarHBondContact O-N 3.25Å
1005R79.4Confident79.1Confident95 Ų9543.7 Ų43.736%0.35823%0.226SC..Hα-helixtrans-60.7-35.9177.4-71.4-173.7-177.2-169.5-0.3112.9T661 D904 L1003 A1009T661-R1005 PolarHBondContact OG1-NH1 3.09Å; D904-R1005 IonicContact OD2-CZ 3.6Å; D904-R1005 IonicContact OD2-NE 2.66Å; D904-R1005 IonicContact OD2-NH2 2.67Å; D904-R1005 PolarHBondContact OD2-NH2 3.26Å; L1003-R1005 PolarHBondContact O-N 2.89Å; R1005-A1009 VanDerWaalsContact O-CB 3.28Å; R1005-A1009 WeakPolarHBondContact O-CB 3.16Å; R1005-A1009 PolarHBondContact O-N 3.23Å
1006T82.5Confident78.8Confident9 Ų945.1 Ų45.16%0.05524%0.235CC..Hα-helixtrans-68.6-45.9176.6-62.20000110.6L1003 R1004 A1009 I1010 P1016 L1019 L1028L1003-T1006 VanDerWaalsContact O-CB 3.32Å; L1003-T1006 WeakPolarHBondContact O-CB 3.31Å; L1003-T1006 PolarHBondContact O-N 3.34Å; R1004-T1006 VanDerWaalsContact C-N 3.26Å; R1004-T1006 PolarHBondContact O-N 3.35Å; T1006-A1009 PolarHBondContact O-N 3.3Å; T1006-I1010 HydrophobicContact CG2-CD1 4.29Å; T1006-I1010 WeakPolarHBondContact O-CG1 3.31Å; T1006-I1010 PolarHBondContact O-N 2.72Å; T1006-P1016 HydrophobicContact CG2-CB 3.73Å; T1006-L1019 HydrophobicContact CG2-CD2 3.59Å; T1006-L1028 HydrophobicContact CG2-CD1 4.19Å; T1006-L1028 HydrophobicContact CG2-CD2 3.44Å; T1006-L1028 VanDerWaalsContact CG2-CD2 3.44Å; T1006-L1028 HydrophobicContact CG2-CG 4.49Å
1007I87.9Confident78.5Confident0 Ų045.9 Ų45.90%025%0.251CS..Hα-helixtrans-58.5-49.9175.1-57.6176.2000110.1A933 V935 F949 P995 M1002 L1003 R1004 A1009 I1010 C1011 I1031A933-I1007 HydrophobicContact CB-CD1 4.05Å; V935-I1007 HydrophobicContact CB-CG2 4.5Å; V935-I1007 HydrophobicContact CG1-CB 3.89Å; V935-I1007 HydrophobicContact CG1-CG2 3.86Å; V935-I1007 HydrophobicContact CG2-CG2 3.81Å; F949-I1007 HydrophobicContact CD2-CG2 3.62Å; F949-I1007 HydrophobicContact CE2-CG2 3.31Å; F949-I1007 HydrophobicContact CZ-CG2 4.02Å; P995-I1007 HydrophobicContact CG-CD1 3.68Å; P995-I1007 HydrophobicContact CG-CG1 3.44Å; P995-I1007 VanDerWaalsContact CG-CG1 3.44Å; M1002-I1007 HydrophobicContact CE-CD1 3.58Å; L1003-I1007 PolarHBondContact O-N 3.43Å; R1004-I1007 PolarHBondContact O-N 2.87Å; I1007-A1009 PolarHBondContact O-N 3.12Å; I1007-I1010 PolarHBondContact O-N 3.29Å; I1007-C1011 PolarHBondContact O-N 2.91Å; I1007-C1011 PolarHBondContact O-SG 3.03Å; I1007-I1031 HydrophobicContact CB-CD1 4.43Å; I1007-I1031 HydrophobicContact CD1-CD1 4.31Å; I1007-I1031 HydrophobicContact CG1-CD1 3.78Å; I1007-I1031 HydrophobicContact CG2-CD1 4.2Å
1008Q87.6Confident78.5Confident44 Ų4449.3 Ų49.321%0.20627%0.269CS..Hα-helixtrans-59.1-44.4178.1-178-173.451.700111.9V935 G936 R1004 I1010 C1011 E1012V935-Q1008 HydrophobicContact CB-CB 4.25Å; V935-Q1008 HydrophobicContact CG1-CB 4.43Å; G936-Q1008 WeakPolarHBondContact O-CG 3.44Å; G936-Q1008 PolarHBondContact O-NE2 3.47Å; R1004-Q1008 WeakPolarHBondContact O-CB 3.46Å; R1004-Q1008 PolarHBondContact O-N 3.25Å; Q1008-I1010 VanDerWaalsContact C-N 3.33Å; Q1008-I1010 PolarHBondContact O-N 2.97Å; Q1008-C1011 WeakPolarHBondContact O-CB 3.04Å; Q1008-C1011 PolarHBondContact O-N 3.02Å; Q1008-E1012 WeakPolarHBondContact O-CG 3.42Å; Q1008-E1012 PolarHBondContact O-N 3.33Å
1009A84.8Confident79.1Confident2 Ų248.7 Ų48.72%0.01727%0.27CS..Hα-helixtrans-61.1-42.917800000111.6R1005 T1006 I1007 E1012 G1013 R1014 P1016R1005-A1009 VanDerWaalsContact O-CB 3.28Å; R1005-A1009 WeakPolarHBondContact O-CB 3.16Å; R1005-A1009 PolarHBondContact O-N 3.23Å; T1006-A1009 PolarHBondContact O-N 3.3Å; I1007-A1009 PolarHBondContact O-N 3.12Å; A1009-E1012 CarbonylContact O-C 3.55Å; A1009-E1012 PolarHBondContact O-N 2.7Å; A1009-G1013 PolarHBondContact O-N 3.23Å; A1009-G1013 VanDerWaalsContact O-N 3.08Å; A1009-R1014 HydrophobicContact CB-CB 4.18Å; A1009-R1014 PolarHBondContact O-N 3.1Å; A1009-P1016 HydrophobicContact CB-CB 4.41Å
1010I87.2Confident79.5Confident18 Ų1848.1 Ų48.19%0.09227%0.265CS..Hα-helixtrans-61.2-45.6174.5-68.5169.8000110.5T1006 I1007 Q1008 E1012 G1013 L1028 I1031 R1032T1006-I1010 HydrophobicContact CG2-CD1 4.29Å; T1006-I1010 WeakPolarHBondContact O-CG1 3.31Å; T1006-I1010 PolarHBondContact O-N 2.72Å; I1007-I1010 PolarHBondContact O-N 3.29Å; Q1008-I1010 VanDerWaalsContact C-N 3.33Å; Q1008-I1010 PolarHBondContact O-N 2.97Å; I1010-E1012 PolarHBondContact O-N 2.85Å; I1010-G1013 PolarHBondContact O-N 3.06Å; I1010-G1013 VanDerWaalsContact O-N 3.1Å; I1010-L1028 HydrophobicContact CD1-CB 3.97Å; I1010-L1028 HydrophobicContact CD1-CD2 3.78Å; I1010-L1028 HydrophobicContact CD1-CG 4.34Å; I1010-I1031 HydrophobicContact CB-CG2 4.43Å; I1010-I1031 HydrophobicContact CG2-CG2 3.83Å; I1010-R1032 HydrophobicContact CG2-CG 3.65Å
1011C87.9Confident79.8Confident19 Ų1948.6 Ų48.613%0.12827%0.266CS..Hα-helixtrans-59.7-31.8178.7-63.30000113.1V937 F949 I1007 Q1008 M1035V937-C1011 HydrophobicContact CB-CB 4.42Å; V937-C1011 HydrophobicContact CG1-CB 3.94Å; V937-C1011 HydrophobicContact CG2-CB 3.53Å; F949-C1011 VanDerWaalsContact CZ-SG 3.57Å; I1007-C1011 PolarHBondContact O-N 2.91Å; I1007-C1011 PolarHBondContact O-SG 3.03Å; Q1008-C1011 WeakPolarHBondContact O-CB 3.04Å; Q1008-C1011 PolarHBondContact O-N 3.02Å; C1011-M1035 HydrophobicContact CB-CE 4.08Å; C1011-M1035 HydrophobicContact CB-SD 4.21Å; C1011-M1035 VanDerWaalsContact SG-SD 3.66Å
1012E87.7Confident80.1Confident58 Ų5845.1 Ų45.127%0.27125%0.251SS..THydrogen-bonded Turntrans-95.64-178.9-65.6-179.5163.500113.6V937 K938 Q1008 A1009 I1010 R1014V937-E1012 HydrophobicContact CG1-CG 3.91Å; K938-E1012 HydrophobicContact CB-CG 4.48Å; K938-E1012 WeakPolarHBondContact CB-OE1 3.44Å; K938-E1012 PolarHBondContact N-OE1 3.49Å; Q1008-E1012 WeakPolarHBondContact O-CG 3.42Å; Q1008-E1012 PolarHBondContact O-N 3.33Å; A1009-E1012 CarbonylContact O-C 3.55Å; A1009-E1012 PolarHBondContact O-N 2.7Å; I1010-E1012 PolarHBondContact O-N 2.85Å; E1012-R1014 VanDerWaalsContact C-N 3.26Å; E1012-R1014 HydrophobicContact CB-CG 4.17Å; E1012-R1014 PolarHBondContact O-N 2.84Å; E1012-R1014 IonicContact OE2-CZ 3.44Å; E1012-R1014 IonicContact OE2-NE 2.72Å; E1012-R1014 PolarHBondContact OE2-NE 3.16Å; E1012-R1014 IonicContact OE2-NH2 3.16Å; E1012-R1014 PolarHBondContact OE2-NH2 3.14Å
1013G83.8Confident79.7Confident74 Ų7448.5 Ų48.576%0.76327%0.269SS*.THydrogen-bonded Turntrans65.724.7-17700000114.3A1009 I1010A1009-G1013 PolarHBondContact O-N 3.23Å; A1009-G1013 VanDerWaalsContact O-N 3.08Å; I1010-G1013 PolarHBondContact O-N 3.06Å; I1010-G1013 VanDerWaalsContact O-N 3.1Å
1014R86Confident79.6Confident121 Ų12150.2 Ų50.246%0.45728%0.279SS..  trans-96.3162.2177.9-63.3-169.4-69.1107.1-3.6111.7A1009 E1012A1009-R1014 HydrophobicContact CB-CB 4.18Å; A1009-R1014 PolarHBondContact O-N 3.1Å; E1012-R1014 VanDerWaalsContact C-N 3.26Å; E1012-R1014 HydrophobicContact CB-CG 4.17Å; E1012-R1014 PolarHBondContact O-N 2.84Å; E1012-R1014 IonicContact OE2-CZ 3.44Å; E1012-R1014 IonicContact OE2-NE 2.72Å; E1012-R1014 PolarHBondContact OE2-NE 3.16Å; E1012-R1014 IonicContact OE2-NH2 3.16Å; E1012-R1014 PolarHBondContact OE2-NH2 3.14Å
1015D79.3Confident79.3Confident132 Ų13251.8 Ų51.871%0.70630%0.295SS*.  trans-63.4123.8170.3-177-8.5000110.5G1017D1015-G1017 PolarHBondContact O-N 3.08Å; D1015-G1017 PolarHBondContact OD1-N 3.19Å
1016P77.5Confident79.5Confident30 Ų3049.2 Ų49.220%0.19529%0.294CS..  trans-70.2-11.4179.727.8-35.1000115.2T1006 A1009 L1019T1006-P1016 HydrophobicContact CG2-CB 3.73Å; A1009-P1016 HydrophobicContact CB-CB 4.41Å; P1016-L1019 HydrophobicContact CB-CD2 4.2Å; P1016-L1019 HydrophobicContact CG-CD1 4.18Å
1017G73.3Confident79.5Confident45 Ų4548.9 Ų48.946%0.46429%0.292SS..  trans77.3-145.4177.400000114.3D1015 L1019D1015-G1017 PolarHBondContact O-N 3.08Å; D1015-G1017 PolarHBondContact OD1-N 3.19Å; G1017-L1019 PolarHBondContact O-N 3.12Å
1018D68.2Low79.4Confident85 Ų8549.2 Ų49.246%0.45529%0.294SS..  trans-70.6110.2-175.5-1799.7000112.2T1020D1018-T1020 VanDerWaalsContact CG-OG1 3.32Å; D1018-T1020 WeakPolarHBondContact OD1-CB 3.26Å; D1018-T1020 WeakPolarHBondContact OD1-CG2 3.26Å; D1018-T1020 PolarHBondContact OD1-N 3.05Å; D1018-T1020 PolarHBondContact OD1-OG1 2.83Å; D1018-T1020 PolarHBondContact OD2-OG1 3.09Å
1019L74.7Confident79.2Confident55 Ų5551.6 Ų51.629%0.28831%0.308SS..  trans-99.26.6177.9-61.4176.3000113.2T1006 P1016 G1017 T1021 I1022 L1028T1006-L1019 HydrophobicContact CG2-CD2 3.59Å; P1016-L1019 HydrophobicContact CB-CD2 4.2Å; P1016-L1019 HydrophobicContact CG-CD1 4.18Å; G1017-L1019 PolarHBondContact O-N 3.12Å; L1019-T1021 PolarHBondContact O-N 3.19Å; L1019-I1022 WeakPolarHBondContact O-CB 3.33Å; L1019-I1022 WeakPolarHBondContact O-CG2 3.49Å; L1019-I1022 PolarHBondContact O-N 3.35Å; L1019-L1028 HydrophobicContact CD1-CD1 3.59Å; L1019-L1028 HydrophobicContact CD2-CD1 3.92Å; L1019-L1028 HydrophobicContact CG-CD1 4.38Å
1020T65.5Low79.2Confident35 Ų3553.8 Ų53.822%0.21532%0.318CS..THydrogen-bonded Turntrans-62.6-14.2-170.856.90000115A561 S564 D1018A561-T1020 HydrophobicContact CB-CG2 3.71Å; S564-T1020 PolarHBondContact OG-OG1 3.5Å; D1018-T1020 VanDerWaalsContact CG-OG1 3.32Å; D1018-T1020 WeakPolarHBondContact OD1-CB 3.26Å; D1018-T1020 WeakPolarHBondContact OD1-CG2 3.26Å; D1018-T1020 PolarHBondContact OD1-N 3.05Å; D1018-T1020 PolarHBondContact OD1-OG1 2.83Å; D1018-T1020 PolarHBondContact OD2-OG1 3.09Å
1021T66.7Low79.2Confident23 Ų2352.9 Ų52.914%0.14131%0.314CS..THydrogen-bonded Turntrans-100.8-5.5-178.967.30000114F560 T997 R998 L1019F560-T1021 HydrophobicContact CD1-CG2 3.9Å; F560-T1021 HydrophobicContact CE1-CG2 3.44Å; F560-T1021 VanDerWaalsContact CE1-CG2 3.44Å; F560-T1021 HydrophobicContact CZ-CG2 4.46Å; T997-T1021 WeakPolarHBondContact CA-O 3.37Å; R998-T1021 PolarHBondContact N-O 3.01Å; L1019-T1021 PolarHBondContact O-N 3.19Å
1022I75.9Confident79.2Confident12 Ų1256.7 Ų56.76%0.06233%0.325CS..BIsolated β-bridgetrans-64.4140-178.9-160164.1000110.9P995 K996 L1003 L1019 P1025 L1028P995-I1022 HydrophobicContact CB-CD1 3.92Å; K996-I1022 WeakPolarHBondContact O-CA 3.36Å; L1003-I1022 HydrophobicContact CD1-CB 3.8Å; L1003-I1022 HydrophobicContact CD1-CD1 3.77Å; L1003-I1022 HydrophobicContact CD1-CG1 3.59Å; L1019-I1022 WeakPolarHBondContact O-CB 3.33Å; L1019-I1022 WeakPolarHBondContact O-CG2 3.49Å; L1019-I1022 PolarHBondContact O-N 3.35Å; I1022-P1025 HydrophobicContact CG2-CG 3.94Å; I1022-L1028 HydrophobicContact CD1-CD1 3.94Å; I1022-L1028 HydrophobicContact CD1-CD2 3.93Å; I1022-L1028 HydrophobicContact CD1-CG 3.8Å
1023D72.9Confident79.1Confident90 Ų9059 Ų5948%0.48134%0.336SS..SBendtrans-75.6-50177.4-164.347.6000111.4K996 R998K996-D1023 PolarHBondContact O-N 2.9Å; R998-D1023 HydrophobicContact CG-CB 4.19Å; R998-D1023 WeakPolarHBondContact CG-OD1 3.32Å
1024D78.2Confident79.1Confident61 Ų6156 Ų5633%0.32630%0.304SS..  trans-132.4110.7176.5-176.17.1000112.1Q993 A1026 S1027Q993-D1024 PolarHBondContact NE2-OD2 3.26Å; Q993-D1024 PolarHBondContact OE1-OD2 3.33Å; D1024-A1026 PolarHBondContact O-N 3.28Å; D1024-A1026 WeakPolarHBondContact OD1-CB 3.24Å; D1024-A1026 PolarHBondContact OD1-N 2.92Å; D1024-S1027 WeakPolarHBondContact O-CB 3.41Å; D1024-S1027 PolarHBondContact O-N 2.54Å; D1024-S1027 PolarHBondContact O-OG 3.21Å
1025P79.1Confident78.9Confident79 Ų7953.3 Ų53.351%0.51330%0.297SS..THydrogen-bonded Turntrans-58.3-27.5174.7-24.234.2000115I1022 S1027 L1028I1022-P1025 HydrophobicContact CG2-CG 3.94Å; P1025-S1027 PolarHBondContact O-N 3.04Å; P1025-S1027 VanDerWaalsContact O-N 3.15Å; P1025-L1028 WeakPolarHBondContact O-CB 3.16Å; P1025-L1028 PolarHBondContact O-N 3.25Å
1026A82Confident79Confident42 Ų4255 Ų5535%0.34730%0.301SS..Hα-helixtrans-63.8-21.2-177.900000112.9D1024 L1028 D1029 Q1030D1024-A1026 PolarHBondContact O-N 3.28Å; D1024-A1026 WeakPolarHBondContact OD1-CB 3.24Å; D1024-A1026 PolarHBondContact OD1-N 2.92Å; A1026-L1028 PolarHBondContact O-N 3.13Å; A1026-D1029 PolarHBondContact O-N 2.75Å; A1026-Q1030 PolarHBondContact O-N 2.76Å
1027S83.7Confident78.4Confident2 Ų260.2 Ų60.21%0.01432%0.323CS..Hα-helixtrans-60-27.6172.561.30000113.1P995 D1024 P1025 I1031P995-S1027 WeakPolarHBondContact CA-OG 3.43Å; P995-S1027 WeakPolarHBondContact CB-OG 3.49Å; D1024-S1027 WeakPolarHBondContact O-CB 3.41Å; D1024-S1027 PolarHBondContact O-N 2.54Å; D1024-S1027 PolarHBondContact O-OG 3.21Å; P1025-S1027 PolarHBondContact O-N 3.04Å; P1025-S1027 VanDerWaalsContact O-N 3.15Å; S1027-I1031 WeakPolarHBondContact O-CG1 3.48Å; S1027-I1031 PolarHBondContact O-N 2.78Å
1028L85.5Confident78.7Confident7 Ų761 Ų614%0.03732%0.316CS..Hα-helixtrans-74.4-34.8177.4-57.4-177.4000112.2P995 T1006 I1010 L1019 I1022 P1025 A1026 I1031 R1032P995-L1028 HydrophobicContact CB-CD2 3.67Å; P995-L1028 HydrophobicContact CG-CD2 4.07Å; T1006-L1028 HydrophobicContact CG2-CD1 4.19Å; T1006-L1028 HydrophobicContact CG2-CD2 3.44Å; T1006-L1028 VanDerWaalsContact CG2-CD2 3.44Å; T1006-L1028 HydrophobicContact CG2-CG 4.49Å; I1010-L1028 HydrophobicContact CD1-CB 3.97Å; I1010-L1028 HydrophobicContact CD1-CD2 3.78Å; I1010-L1028 HydrophobicContact CD1-CG 4.34Å; L1019-L1028 HydrophobicContact CD1-CD1 3.59Å; L1019-L1028 HydrophobicContact CD2-CD1 3.92Å; L1019-L1028 HydrophobicContact CG-CD1 4.38Å; I1022-L1028 HydrophobicContact CD1-CD1 3.94Å; I1022-L1028 HydrophobicContact CD1-CD2 3.93Å; I1022-L1028 HydrophobicContact CD1-CG 3.8Å; P1025-L1028 WeakPolarHBondContact O-CB 3.16Å; P1025-L1028 PolarHBondContact O-N 3.25Å; A1026-L1028 PolarHBondContact O-N 3.13Å; L1028-I1031 PolarHBondContact O-N 2.97Å; L1028-R1032 PolarHBondContact O-N 2.9Å
1029D84.5Confident79.3Confident94 Ų9459.7 Ų59.750%0.50331%0.308SS..Hα-helixtrans-71-36.3178.3-64.6-32.2000110.9A1026 I1031 R1032 Q1033A1026-D1029 PolarHBondContact O-N 2.75Å; D1029-I1031 VanDerWaalsContact C-N 3.33Å; D1029-I1031 PolarHBondContact O-N 3.25Å; D1029-R1032 PolarHBondContact O-N 3.33Å; D1029-R1032 IonicContact OD1-NH1 3.86Å; D1029-R1032 PolarHBondContact OD1-NH1 2.74Å; D1029-Q1033 WeakPolarHBondContact O-CB 3.36Å; D1029-Q1033 PolarHBondContact O-N 2.89Å
1030Q84.2Confident79.5Confident47 Ų4760 Ų6022%0.2231%0.31CS..Hα-helixtrans-63.2-38173.2-67.7-172.21500113S992 A1026 R1032 Q1033 A1034S992-Q1030 PolarHBondContact OG-NE2 3.38Å; S992-Q1030 PolarHBondContact OG-OE1 3.33Å; A1026-Q1030 PolarHBondContact O-N 2.76Å; Q1030-R1032 VanDerWaalsContact C-N 3.34Å; Q1030-Q1033 PolarHBondContact O-N 2.87Å; Q1030-A1034 VanDerWaalsContact O-CB 3.28Å; Q1030-A1034 WeakPolarHBondContact O-CB 3.31Å; Q1030-A1034 PolarHBondContact O-N 3.4Å
1031I87.2Confident80.3Confident0 Ų061.5 Ų61.50%032%0.315CS..Hα-helixtrans-62.9-43.9174.3-73.5172.2000110.6F949 V991 P995 I1007 I1010 S1027 L1028 D1029 M1035F949-I1031 HydrophobicContact CD1-CG1 4.09Å; F949-I1031 HydrophobicContact CD1-CG2 4.44Å; F949-I1031 HydrophobicContact CE1-CB 4.33Å; F949-I1031 HydrophobicContact CE1-CG1 4.19Å; F949-I1031 HydrophobicContact CE1-CG2 3.71Å; F949-I1031 HydrophobicContact CZ-CG2 3.9Å; V991-I1031 HydrophobicContact CG1-CG1 4.49Å; P995-I1031 HydrophobicContact CG-CD1 3.56Å; I1007-I1031 HydrophobicContact CB-CD1 4.43Å; I1007-I1031 HydrophobicContact CD1-CD1 4.31Å; I1007-I1031 HydrophobicContact CG1-CD1 3.78Å; I1007-I1031 HydrophobicContact CG2-CD1 4.2Å; I1010-I1031 HydrophobicContact CB-CG2 4.43Å; I1010-I1031 HydrophobicContact CG2-CG2 3.83Å; S1027-I1031 WeakPolarHBondContact O-CG1 3.48Å; S1027-I1031 PolarHBondContact O-N 2.78Å; L1028-I1031 PolarHBondContact O-N 2.97Å; D1029-I1031 VanDerWaalsContact C-N 3.33Å; D1029-I1031 PolarHBondContact O-N 3.25Å; I1031-M1035 HydrophobicContact CG2-SD 4.29Å; I1031-M1035 VanDerWaalsContact O-CG 3.3Å; I1031-M1035 WeakPolarHBondContact O-CG 3.16Å; I1031-M1035 PolarHBondContact O-N 3.43Å
1032R87.5Confident81.2Confident99 Ų9963.9 Ų63.937%0.37433%0.326SS..Hα-helixtrans-62.5-48.7177.1-70.3-178.3-172.6117.40.7111.3I1010 L1028 D1029 Q1030 A1034 M1035 E1036I1010-R1032 HydrophobicContact CG2-CG 3.65Å; L1028-R1032 PolarHBondContact O-N 2.9Å; D1029-R1032 PolarHBondContact O-N 3.33Å; D1029-R1032 IonicContact OD1-NH1 3.86Å; D1029-R1032 PolarHBondContact OD1-NH1 2.74Å; Q1030-R1032 VanDerWaalsContact C-N 3.34Å; R1032-A1034 PolarHBondContact O-N 3.23Å; R1032-M1035 VanDerWaalsContact O-N 3.16Å; R1032-M1035 PolarHBondContact O-N 3.15Å; R1032-E1036 WeakPolarHBondContact O-CG 3.46Å; R1032-E1036 PolarHBondContact O-N 2.91Å
1033Q85.2Confident81.5Confident106 Ų10667.3 Ų67.350%0.49534%0.344SS..Hα-helixtrans-60.3-47.5-179.3-175.7179.2-6.600111.5D1029 Q1030 M1035 E1036 E1037D1029-Q1033 WeakPolarHBondContact O-CB 3.36Å; D1029-Q1033 PolarHBondContact O-N 2.89Å; Q1030-Q1033 PolarHBondContact O-N 2.87Å; Q1033-M1035 PolarHBondContact O-N 3.45Å; Q1033-E1036 PolarHBondContact O-N 2.77Å; Q1033-E1037 HydrophobicContact CG-CG 4.41Å; Q1033-E1037 WeakPolarHBondContact CG-OE1 3.14Å; Q1033-E1037 PolarHBondContact NE2-OE1 3.36Å; Q1033-E1037 WeakPolarHBondContact O-CG 3.35Å; Q1033-E1037 PolarHBondContact O-N 3.01Å; Q1033-E1037 VanDerWaalsContact O-N 3.09Å
1034A84.6Confident82.1Confident11 Ų1165.7 Ų65.79%0.09133%0.334CS..Hα-helixtrans-61.3-27.5179.100000112.8W989 V991 Q1030 R1032W989-A1034 HydrophobicContact CB-CB 4.22Å; W989-A1034 WeakPolarHBondContact CZ3-O 3.36Å; V991-A1034 HydrophobicContact CG1-CB 4.02Å; Q1030-A1034 VanDerWaalsContact O-CB 3.28Å; Q1030-A1034 WeakPolarHBondContact O-CB 3.31Å; Q1030-A1034 PolarHBondContact O-N 3.4Å; R1032-A1034 PolarHBondContact O-N 3.23Å
1035M82.3Confident82.5Confident65 Ų6566.1 Ų66.132%0.3233%0.334SS..Hα-helixtrans-84.5-22.2175.7-71.3-177.159.100114.1F949 C1011 I1031 R1032 Q1033F949-M1035 HydrophobicContact CE1-CG 4.26Å; F949-M1035 HydrophobicContact CE1-SD 4.46Å; F949-M1035 HydrophobicContact CZ-CG 4.36Å; F949-M1035 HydrophobicContact CZ-SD 4.08Å; C1011-M1035 HydrophobicContact CB-CE 4.08Å; C1011-M1035 HydrophobicContact CB-SD 4.21Å; C1011-M1035 VanDerWaalsContact SG-SD 3.66Å; I1031-M1035 HydrophobicContact CG2-SD 4.29Å; I1031-M1035 VanDerWaalsContact O-CG 3.3Å; I1031-M1035 WeakPolarHBondContact O-CG 3.16Å; I1031-M1035 PolarHBondContact O-N 3.43Å; R1032-M1035 VanDerWaalsContact O-N 3.16Å; R1032-M1035 PolarHBondContact O-N 3.15Å; Q1033-M1035 PolarHBondContact O-N 3.45Å
1036E80.1Confident82.7Confident166 Ų16665 Ų6578%0.77632%0.32SS*.Hα-helixtrans-83.7-29.8178.2-76.5178.1-176.200112.7R1032 Q1033R1032-E1036 WeakPolarHBondContact O-CG 3.46Å; R1032-E1036 PolarHBondContact O-N 2.91Å; Q1033-E1036 PolarHBondContact O-N 2.77Å
1037E66.3Low82.8Confident141 Ų14167.1 Ų67.166%0.65932%0.317SS*.  trans-72.70178.3-73.6-179.8-172.500114.4R961 Q1033R961-E1037 PolarHBondContact NH2-O 3.19Å; Q1033-E1037 HydrophobicContact CG-CG 4.41Å; Q1033-E1037 WeakPolarHBondContact CG-OE1 3.14Å; Q1033-E1037 PolarHBondContact NE2-OE1 3.36Å; Q1033-E1037 WeakPolarHBondContact O-CG 3.35Å; Q1033-E1037 PolarHBondContact O-N 3.01Å; Q1033-E1037 VanDerWaalsContact O-N 3.09Å

Retrieved 1,037 of 1,037 residues in 569 ms (Link to these results)

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