A0A087YRN7_POEFO Loading...

Microtubule associated protein 10

AlphaFold DB , UniProt , Accession A0A087YRN7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 787 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
1F35Very low59.8Low260 Ų260111.5 Ų111.5100%1.1458%0.576SS**  099.30-73.8-95.1000108.5
2M36.7Very low62.5Low190 Ų190102.3 Ų102.394%0.93653%0.528SS*.PPolyproline II helixtrans-75126151.7-67.3-177.475.200105.3
3M41.6Very low64.9Low167 Ų16794.7 Ų94.782%0.82349%0.49SS*.PPolyproline II helixtrans-67.9142.1162.6-73.7-176.5168.300107.2L5M3-L5 PolarHBondContact O-N 2.72Å; M3-L5 VanDerWaalsContact O-N 3.13Å
4S40.1Very low67Low88 Ų8888 Ų8862%0.61546%0.455SS*.PPolyproline II helixtrans-54.9120.1157.4-176.10000106.4D6S4-D6 WeakPolarHBondContact CB-OD1 3.28Å; S4-D6 PolarHBondContact O-N 3.18Å; S4-D6 PolarHBondContact OG-OD1 3.46Å
5L48.4Very low68.9Low142 Ų14286.8 Ų86.874%0.74345%0.447SS*.  trans-70.691.6153.1-96.872.8000104.4M3 N7M3-L5 PolarHBondContact O-N 2.72Å; M3-L5 VanDerWaalsContact O-N 3.13Å; L5-N7 PolarHBondContact O-N 2.91Å; L5-N7 PolarHBondContact O-OD1 2.83Å
6D52.8Low70.6Confident132 Ų13282.3 Ų82.371%0.70642%0.423SS*.  trans-64.180.2162.4-69.7-8.8000105.6S4 P8S4-D6 WeakPolarHBondContact CB-OD1 3.28Å; S4-D6 PolarHBondContact O-N 3.18Å; S4-D6 PolarHBondContact OG-OD1 3.46Å; D6-P8 WeakPolarHBondContact O-CA 3.44Å; D6-P8 WeakPolarHBondContact O-CD 3.5Å
7N60.8Low72.1Confident67 Ų6781.6 Ų81.636%0.35842%0.42SS..  trans-50.8110.5-170.4-87.50.7000107L5 E9 N84 D86L5-N7 PolarHBondContact O-N 2.91Å; L5-N7 PolarHBondContact O-OD1 2.83Å; N7-E9 PolarHBondContact O-N 2.76Å; N7-N84 WeakPolarHBondContact CB-ND2 2.94Å; N7-N84 PolarHBondContact O-ND2 3.42Å; N7-D86 PolarHBondContact ND2-OD2 3.33Å
8P75.9Confident73.4Confident82 Ų8277.2 Ų77.253%0.53240%0.398SS..  trans-61.7139-158.721.3-33.1000108.9D6 T10 A166D6-P8 WeakPolarHBondContact O-CA 3.44Å; D6-P8 WeakPolarHBondContact O-CD 3.5Å; P8-T10 PolarHBondContact O-N 2.77Å; P8-A166 HydrophobicContact CB-CB 4.07Å; P8-A166 HydrophobicContact CG-CB 4.44Å
9E86.9Confident74.5Confident79 Ų7974.5 Ų74.537%0.36938%0.384SS..  trans-52.6135168.1-65.717187.100108N7 K82 L169N7-E9 PolarHBondContact O-N 2.76Å; E9-K82 HydrophobicContact CB-CD 4.47Å; E9-K82 HydrophobicContact CB-CG 4.05Å; E9-K82 VanDerWaalsContact OE1-CE 3.29Å; E9-K82 WeakPolarHBondContact OE1-CE 3.25Å; E9-K82 IonicContact OE1-NZ 3.19Å; E9-K82 PolarHBondContact OE1-NZ 2.99Å; E9-K82 IonicContact OE2-NZ 3.16Å; E9-K82 PolarHBondContact OE2-NZ 3Å; E9-L169 HydrophobicContact CB-CD1 4.12Å; E9-L169 WeakPolarHBondContact O-CD1 3.38Å
10T88.8Confident75.5Confident13 Ų1373.9 Ų73.98%0.0838%0.377CS..EExtended strand (participates in β ladder)trans-114.9143.5-178.334.60000109.2P8 F12 M83 L85P8-T10 PolarHBondContact O-N 2.77Å; T10-F12 WeakPolarHBondContact OG1-CE2 3.33Å; T10-F12 VanDerWaalsContact OG1-CZ 3.3Å; T10-F12 WeakPolarHBondContact OG1-CZ 3.49Å; T10-M83 WeakPolarHBondContact CA-O 3.37Å; T10-M83 PolarHBondContact N-O 3.25Å; T10-M83 PolarHBondContact O-N 3.23Å; T10-M83 PolarHBondContact OG1-O 3.34Å; T10-L85 PolarHBondContact OG1-N 3.21Å
11L91.1Very high76.4Confident7 Ų770.3 Ų70.34%0.03736%0.359CS..EExtended strand (participates in β ladder)trans-83.4130.4171.8-172.971.5000109L164 G165 L168 L169 I172L11-L164 HydrophobicContact CB-CB 4.2Å; L11-L164 HydrophobicContact CD2-CB 4.21Å; L11-L164 HydrophobicContact CD2-CD1 3.76Å; L11-L164 HydrophobicContact CG-CB 4.38Å; L11-L164 HydrophobicContact CG-CD1 4.13Å; L11-L164 WeakPolarHBondContact O-CA 3.28Å; L11-L164 WeakPolarHBondContact O-CB 3.09Å; L11-L164 PolarHBondContact O-N 3.48Å; L11-G165 PolarHBondContact N-O 3.47Å; L11-L168 HydrophobicContact CD2-CB 3.99Å; L11-L168 HydrophobicContact CD2-CD1 4.19Å; L11-L169 HydrophobicContact CB-CD2 3.89Å; L11-L169 HydrophobicContact CB-CG 4.44Å; L11-L169 HydrophobicContact CD1-CD2 4.16Å; L11-I172 HydrophobicContact CD1-CD1 4.01Å; L11-I172 HydrophobicContact CD2-CD1 3.48Å; L11-I172 VanDerWaalsContact CD2-CD1 3.48Å; L11-I172 HydrophobicContact CG-CD1 4.37Å
12F92.5Very high79.2Confident0 Ų061.8 Ų61.80%032%0.319CS..EExtended strand (participates in β ladder)trans-117.5150.3172.4-65.2-82000110.6T10 F80 F81 M83 L85 L88 L162 C163T10-F12 WeakPolarHBondContact OG1-CE2 3.33Å; T10-F12 VanDerWaalsContact OG1-CZ 3.3Å; T10-F12 WeakPolarHBondContact OG1-CZ 3.49Å; F12-F80 VanDerWaalsContact O-CA 3.31Å; F12-F80 WeakPolarHBondContact O-CA 3.24Å; F12-F81 HydrophobicContact CB-CD1 4.39Å; F12-F81 HydrophobicContact CB-CD2 4.03Å; F12-F81 HydrophobicContact CB-CE1 3.97Å; F12-F81 HydrophobicContact CB-CE2 3.57Å; F12-F81 HydrophobicContact CB-CG 4.42Å; F12-F81 HydrophobicContact CB-CZ 3.54Å; F12-F81 HydrophobicContact CD2-CD2 4.4Å; F12-F81 HydrophobicContact CD2-CE2 4.02Å; F12-F81 HydrophobicContact CG-CE2 4.01Å; F12-F81 HydrophobicContact CG-CZ 4.27Å; F12-F81 PolarHBondContact N-O 2.57Å; F12-F81 PolarHBondContact O-N 3.12Å; F12-M83 HydrophobicContact CD2-CB 4.27Å; F12-M83 HydrophobicContact CE2-CB 4.3Å; F12-M83 WeakPolarHBondContact CE2-O 3.28Å; F12-L85 HydrophobicContact CZ-CB 4.23Å; F12-L85 HydrophobicContact CZ-CG 4.36Å; F12-L88 HydrophobicContact CB-CD2 4.46Å; F12-L88 HydrophobicContact CD1-CD2 3.63Å; F12-L88 HydrophobicContact CD2-CD2 3.54Å; F12-L88 HydrophobicContact CE1-CD2 3.61Å; F12-L88 HydrophobicContact CE2-CB 4.25Å; F12-L88 HydrophobicContact CE2-CD2 3.48Å; F12-L88 VanDerWaalsContact CE2-CD2 3.48Å; F12-L88 HydrophobicContact CE2-CG 4.5Å; F12-L88 HydrophobicContact CG-CD2 3.6Å; F12-L88 HydrophobicContact CZ-CB 4.44Å; F12-L88 HydrophobicContact CZ-CD2 3.54Å; F12-L162 VanDerWaalsContact CA-O 3.27Å; F12-L162 WeakPolarHBondContact CA-O 3.3Å; F12-C163 HydrophobicContact CD1-CB 4.1Å; F12-C163 HydrophobicContact CE1-CB 3.74Å
13S93.6Very high81.8Confident4 Ų452.9 Ų52.93%0.02828%0.276CS..EExtended strand (participates in β ladder)trans-122.3127.8166.3-178.50000108.8C79 L161 L162S13-C79 WeakPolarHBondContact CA-O 3.05Å; S13-L161 WeakPolarHBondContact O-CA 3.49Å; S13-L162 PolarHBondContact N-O 2.96Å; S13-L162 PolarHBondContact O-N 3.41Å
14L94.7Very high84.1Confident1 Ų147.7 Ų47.71%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-109.6110.6167.2176.163.5000108.6L16 L39 C78 C79 F81 L97 L120 L161L14-L16 HydrophobicContact CD1-CG 4.38Å; L14-L16 HydrophobicContact CD2-CD1 3.87Å; L14-L16 HydrophobicContact CD2-CG 4.29Å; L14-L16 HydrophobicContact CG-CD1 4.08Å; L14-L16 HydrophobicContact CG-CG 4.06Å; L14-L39 HydrophobicContact CD2-CD1 3.99Å; L14-L39 HydrophobicContact CD2-CD2 3.97Å; L14-L39 HydrophobicContact CD2-CG 4.46Å; L14-C78 CarbonylContact O-C 3.56Å; L14-C78 VanDerWaalsContact O-CA 3.29Å; L14-C78 WeakPolarHBondContact O-CA 3.3Å; L14-C79 PolarHBondContact N-O 3.15Å; L14-C79 PolarHBondContact O-N 3.35Å; L14-F81 HydrophobicContact CB-CE1 3.93Å; L14-L97 HydrophobicContact CD2-CD1 4.22Å; L14-L120 HydrophobicContact CD2-CD1 4.34Å; L14-L161 HydrophobicContact CB-CD1 4.14Å; L14-L161 HydrophobicContact CD1-CB 4.26Å; L14-L161 HydrophobicContact CD1-CD1 4.29Å
15E95.6Very high85.6Confident70 Ų7050.6 Ų50.633%0.32725%0.251SS..EExtended strand (participates in β ladder)trans-89.6133.8167.6-65164-145.800108.8C78 Y159 K160 L162E15-C78 HydrophobicContact CG-CB 4.15Å; E15-Y159 CarbonylContact O-C 3.35Å; E15-Y159 VanDerWaalsContact O-CA 3.24Å; E15-Y159 WeakPolarHBondContact O-CA 3.31Å; E15-K160 HydrophobicContact CB-CB 4.21Å; E15-K160 PolarHBondContact N-O 3.49Å; E15-K160 PolarHBondContact O-N 3.06Å; E15-K160 IonicContact OE1-NZ 2.72Å; E15-K160 PolarHBondContact OE1-NZ 3.13Å; E15-K160 IonicContact OE2-NZ 3.12Å; E15-K160 PolarHBondContact OE2-NZ 2.72Å; E15-L162 HydrophobicContact CG-CD1 4.35Å; E15-L162 VanDerWaalsContact OE1-CD1 3.29Å; E15-L162 WeakPolarHBondContact OE1-CD1 3.31Å
16L95.4Very high86.5Confident14 Ų1452.5 Ų52.57%0.07326%0.255CS..EExtended strand (participates in β ladder)trans-131.5131.3177.9-78.3157.6000109L14 V37 G76 K77 L97L14-L16 HydrophobicContact CD1-CG 4.38Å; L14-L16 HydrophobicContact CD2-CD1 3.87Å; L14-L16 HydrophobicContact CD2-CG 4.29Å; L14-L16 HydrophobicContact CG-CD1 4.08Å; L14-L16 HydrophobicContact CG-CG 4.06Å; L16-V37 HydrophobicContact CD1-CG1 3.88Å; L16-G76 CarbonylContact O-C 3.58Å; L16-G76 WeakPolarHBondContact O-CA 3.44Å; L16-K77 PolarHBondContact N-O 3.02Å; L16-K77 PolarHBondContact O-N 2.85Å; L16-L97 HydrophobicContact CD1-CD2 4.28Å; L16-L97 HydrophobicContact CD2-CD2 3.68Å
17L95.7Very high87.1Confident71 Ų7147.5 Ų47.537%0.37223%0.231SC..EExtended strand (participates in β ladder)trans-128.5127.7176174.162.7000109.2L157 S158L17-L157 CarbonylContact O-C 3.5Å; L17-L157 VanDerWaalsContact O-CA 3.23Å; L17-L157 WeakPolarHBondContact O-CA 3.44Å; L17-L157 WeakPolarHBondContact O-CB 3.5Å; L17-S158 PolarHBondContact N-O 2.73Å; L17-S158 PolarHBondContact O-N 2.97Å
18V96.1Very high87.6Confident3 Ų353.5 Ų53.52%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-103.5119.3173.9-173.10000108.1I21 L35 I47 F73 N74 R75 I155V18-I21 HydrophobicContact CG1-CG1 4.27Å; V18-L35 HydrophobicContact CG2-CD2 3.58Å; V18-I47 HydrophobicContact CG2-CD1 3.79Å; V18-F73 HydrophobicContact CB-CB 3.99Å; V18-F73 HydrophobicContact CB-CG 4.32Å; V18-F73 HydrophobicContact CG1-CB 3.89Å; V18-F73 HydrophobicContact CG1-CD2 4.12Å; V18-F73 HydrophobicContact CG1-CG 3.94Å; V18-F73 WeakPolarHBondContact O-CB 3.47Å; V18-N74 WeakPolarHBondContact O-CA 3.48Å; V18-N74 PolarHBondContact O-N 3.02Å; V18-R75 PolarHBondContact N-O 2.96Å; V18-R75 PolarHBondContact O-N 3.36Å; V18-R75 VanDerWaalsContact O-N 3.08Å; V18-I155 HydrophobicContact CG1-CG2 4.11Å
19D94.7Very high87.2Confident26 Ų2653 Ų5314%0.13925%0.249CC..EExtended strand (participates in β ladder)trans-75.1-62.3173.5-51.2-48.9000108.6F73 N74 K139 S156D19-F73 PolarHBondContact O-N 2.8Å; D19-N74 PolarHBondContact O-N 3.23Å; D19-N74 PolarHBondContact O-OD1 3.33Å; D19-K139 VanDerWaalsContact CG-NZ 3.29Å; D19-K139 IonicContact OD1-NZ 2.57Å; D19-K139 PolarHBondContact OD1-NZ 3.04Å; D19-K139 VanDerWaalsContact OD1-NZ 3.12Å; D19-K139 WeakPolarHBondContact OD2-CE 3.42Å; D19-K139 IonicContact OD2-NZ 3.15Å; D19-K139 PolarHBondContact OD2-NZ 3.2Å; D19-S156 PolarHBondContact N-O 3.31Å; D19-S156 PolarHBondContact OD2-OG 3.17Å
20Y94.3Very high86.8Confident61 Ų6149.3 Ų49.324%0.23923%0.232CC..EExtended strand (participates in β ladder)trans-153.2159.3-176.766.4-95.6000112.6R22 E70 F71 S156Y20-R22 HydrophobicContact CD2-CB 4.16Å; Y20-R22 HydrophobicContact CE2-CB 4.14Å; Y20-E70 HydrophobicContact CD2-CG 4.07Å; Y20-E70 HydrophobicContact CG-CG 4.27Å; Y20-F71 CarbonylContact C-O 3.47Å; Y20-F71 VanDerWaalsContact CA-O 3.27Å; Y20-F71 WeakPolarHBondContact CA-O 3.33Å; Y20-S156 VanDerWaalsContact CZ-CB 3.46Å; Y20-S156 PolarHBondContact O-N 2.9Å
21I94.6Very high86.3Confident0 Ų058 Ų580%026%0.264CS..EExtended strand (participates in β ladder)trans-118.4127165.6-52.6-176.7000107.8V18 L23 I33 L35 F71 F73 V101 I155V18-I21 HydrophobicContact CG1-CG1 4.27Å; I21-L23 HydrophobicContact CG2-CD2 4.23Å; I21-L23 HydrophobicContact CG2-CG 4.39Å; I21-I33 HydrophobicContact CB-CD1 4.4Å; I21-I33 HydrophobicContact CD1-CD1 4.32Å; I21-I33 HydrophobicContact CG2-CD1 4.2Å; I21-L35 HydrophobicContact CD1-CB 4.26Å; I21-L35 HydrophobicContact CD1-CD1 3.85Å; I21-F71 PolarHBondContact N-O 3.29Å; I21-F71 WeakPolarHBondContact O-CB 3.45Å; I21-F71 PolarHBondContact O-N 3.03Å; I21-F73 HydrophobicContact CB-CE2 4.15Å; I21-F73 HydrophobicContact CD1-CD2 4.21Å; I21-F73 HydrophobicContact CD1-CE2 3.4Å; I21-F73 HydrophobicContact CD1-CZ 3.67Å; I21-F73 HydrophobicContact CG1-CD2 3.92Å; I21-F73 HydrophobicContact CG1-CE2 3.51Å; I21-F73 HydrophobicContact CG1-CZ 4.28Å; I21-V101 HydrophobicContact CD1-CG1 4.42Å; I21-V101 HydrophobicContact CD1-CG2 4.39Å; I21-V101 HydrophobicContact CG2-CG1 4.37Å; I21-V101 HydrophobicContact CG2-CG2 4.42Å; I21-I155 HydrophobicContact CD1-CG1 4.32Å; I21-I155 HydrophobicContact CG1-CG1 4.05Å; I21-I155 HydrophobicContact CG1-CG2 4.27Å; I21-I155 HydrophobicContact CG2-CG1 4.11Å
22R93.1Very high86.1Confident80 Ų8062.8 Ų62.830%0.30228%0.282SS..EExtended strand (participates in β ladder)trans-111.9116.1178.4-172174.870.1179.22.2109.2Y20 Q68 R69 G153 A154Y20-R22 HydrophobicContact CD2-CB 4.16Å; Y20-R22 HydrophobicContact CE2-CB 4.14Å; R22-Q68 HydrophobicContact CG-CB 4.06Å; R22-Q68 VanDerWaalsContact NE-OE1 3.12Å; R22-R69 WeakPolarHBondContact CA-O 3.32Å; R22-G153 CarbonylContact O-C 3.56Å; R22-G153 WeakPolarHBondContact O-CA 3.3Å; R22-A154 PolarHBondContact N-O 2.92Å; R22-A154 PolarHBondContact O-N 2.95Å
23L92Very high86.1Confident4 Ų462.9 Ų62.92%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-104.8146.3177.6-63.9-179000111.2I21 P30 I33 Q68 R69 F71 V113I21-L23 HydrophobicContact CG2-CD2 4.23Å; I21-L23 HydrophobicContact CG2-CG 4.39Å; L23-P30 HydrophobicContact CD1-CG 3.96Å; L23-I33 HydrophobicContact CD1-CD1 3.92Å; L23-Q68 CarbonylContact O-C 3.51Å; L23-Q68 WeakPolarHBondContact O-CA 3.26Å; L23-R69 PolarHBondContact N-O 2.9Å; L23-R69 PolarHBondContact O-N 2.98Å; L23-F71 HydrophobicContact CB-CE2 4.36Å; L23-F71 HydrophobicContact CD1-CE2 3.98Å; L23-F71 HydrophobicContact CG-CE2 4.24Å; L23-V113 HydrophobicContact CD1-CG1 4.08Å
24E88.9Confident86.2Confident57 Ų5762.7 Ų62.727%0.26628%0.281SS..  trans-87.7158.1-177.3-62.3-173.8-160.300112.3H26 C27 Q68 I152E24-H26 PolarHBondContact O-N 3.41Å; E24-C27 PolarHBondContact O-N 2.93Å; E24-Q68 HydrophobicContact CG-CG 4.28Å; E24-I152 WeakPolarHBondContact CB-O 3.13Å; E24-I152 PolarHBondContact N-O 2.87Å
25K72.1Confident86.2Confident149 Ų14962.7 Ų62.765%0.64828%0.281SS*.THydrogen-bonded Turntrans-62.7-18.8-163.2-166.4-176.1175.8-1700114.7
26H66.3Low86.3Confident182 Ų18259.4 Ų59.484%0.84327%0.266SS*.THydrogen-bonded Turntrans-81.9-18.3-174.5-59.7-84.2000113.6E24E24-H26 PolarHBondContact O-N 3.41Å
27C65.7Low86.3Confident28 Ų2859.1 Ų59.119%0.18927%0.265CS..SBendtrans-74143.5174.8-680000111.8E24 V29E24-C27 PolarHBondContact O-N 2.93Å; C27-V29 VanDerWaalsContact O-CG2 3.25Å; C27-V29 WeakPolarHBondContact O-CG2 3.35Å; C27-V29 PolarHBondContact O-N 2.8Å; C27-V29 VanDerWaalsContact O-N 3.11Å
28K72.4Confident86.3Confident193 Ų19360.5 Ų60.584%0.83927%0.265SS*.  trans-57.1119.1160.6-74.8-171.9176.1-175.10107.7P30K28-P30 WeakPolarHBondContact O-CD 3.27Å
29V66.9Low86.2Confident71 Ų7160.9 Ų60.943%0.4327%0.267SS..  trans-85.9112.7-160-1670000110.5C27 R69 F71C27-V29 VanDerWaalsContact O-CG2 3.25Å; C27-V29 WeakPolarHBondContact O-CG2 3.35Å; C27-V29 PolarHBondContact O-N 2.8Å; C27-V29 VanDerWaalsContact O-N 3.11Å; V29-R69 HydrophobicContact CG1-CB 4.25Å; V29-R69 HydrophobicContact CG1-CG 4.35Å; V29-F71 HydrophobicContact CG1-CZ 4.39Å
30P77.6Confident86Confident1 Ų160.3 Ų60.31%0.00626%0.264CS..  trans-65.1145.2-175.225.2-33000111.7L23 K28 I33 R69 F71 D103L23-P30 HydrophobicContact CD1-CG 3.96Å; K28-P30 WeakPolarHBondContact O-CD 3.27Å; P30-I33 HydrophobicContact CG-CD1 4.31Å; P30-R69 PolarHBondContact O-NH1 3.17Å; P30-R69 PolarHBondContact O-NH2 3.15Å; P30-F71 HydrophobicContact CG-CE1 4.2Å; P30-F71 HydrophobicContact CG-CE2 4.34Å; P30-F71 HydrophobicContact CG-CZ 3.66Å; P30-F71 WeakPolarHBondContact O-CE1 3.41Å; P30-F71 WeakPolarHBondContact O-CZ 3.23Å; P30-D103 HydrophobicContact CB-CB 4.04Å; P30-D103 VanDerWaalsContact CB-CG 3.45Å; P30-D103 WeakPolarHBondContact CB-OD1 3.49Å
31Y79.4Confident85.8Confident195 Ų19563 Ų6377%0.76528%0.282SS*.SBendtrans-81.2-35.9172.1-71.3-82000111.9S105Y31-S105 WeakPolarHBondContact CA-OG 3.37Å; Y31-S105 PolarHBondContact N-OG 2.83Å
32R87.4Confident85.6Confident108 Ų10864.9 Ų64.941%0.40829%0.29SS..SBendtrans-131.4140.3172.5-60.2-177.7-171.8159.17.8109.8V104 S105R32-V104 HydrophobicContact CB-CG2 3.75Å; R32-V104 PolarHBondContact O-N 3.35Å; R32-S105 PolarHBondContact N-OG 3.27Å; R32-S105 PolarHBondContact O-OG 2.94Å
33I92.2Very high85.5Confident2 Ų264 Ų641%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-129.3146.2-175.5-166.2169.4000109.8I21 L23 P30 Q49 F71 F73 V101 L102I21-I33 HydrophobicContact CB-CD1 4.4Å; I21-I33 HydrophobicContact CD1-CD1 4.32Å; I21-I33 HydrophobicContact CG2-CD1 4.2Å; L23-I33 HydrophobicContact CD1-CD1 3.92Å; P30-I33 HydrophobicContact CG-CD1 4.31Å; I33-Q49 HydrophobicContact CG2-CB 4.04Å; I33-Q49 HydrophobicContact CG2-CG 4.43Å; I33-Q49 VanDerWaalsContact O-CB 3.3Å; I33-Q49 WeakPolarHBondContact O-CB 3.49Å; I33-Q49 PolarHBondContact O-N 2.9Å; I33-F71 HydrophobicContact CB-CD1 4.17Å; I33-F71 HydrophobicContact CB-CE1 4.37Å; I33-F71 HydrophobicContact CD1-CD1 4.49Å; I33-F71 HydrophobicContact CD1-CD2 4.07Å; I33-F71 HydrophobicContact CD1-CE2 4.3Å; I33-F71 HydrophobicContact CD1-CG 4.18Å; I33-F71 HydrophobicContact CG2-CB 3.75Å; I33-F71 HydrophobicContact CG2-CD1 3.4Å; I33-F71 HydrophobicContact CG2-CE1 4.07Å; I33-F71 HydrophobicContact CG2-CG 3.69Å; I33-F73 HydrophobicContact CB-CZ 4.49Å; I33-F73 HydrophobicContact CG1-CZ 4.48Å; I33-F73 HydrophobicContact CG2-CE2 3.7Å; I33-F73 HydrophobicContact CG2-CZ 3.69Å; I33-V101 HydrophobicContact CD1-CG1 3.57Å; I33-V101 HydrophobicContact CG1-CG1 3.86Å; I33-L102 CarbonylContact C-O 3.48Å; I33-L102 WeakPolarHBondContact CA-O 3.43Å
34A94.6Very high85.6Confident0 Ų066.8 Ų66.80%031%0.312CS..EExtended strand (participates in β ladder)trans-133150.5172.200000109.6I47 Y48 L102 V104A34-I47 CarbonylContact C-O 3.53Å; A34-I47 VanDerWaalsContact CA-O 3.24Å; A34-I47 WeakPolarHBondContact CA-O 3.38Å; A34-I47 WeakPolarHBondContact CB-O 3.31Å; A34-Y48 HydrophobicContact CB-CD1 3.84Å; A34-Y48 HydrophobicContact CB-CE1 4.15Å; A34-Y48 HydrophobicContact CB-CG 4.4Å; A34-L102 HydrophobicContact CB-CB 4.45Å; A34-L102 PolarHBondContact N-O 2.76Å; A34-L102 PolarHBondContact O-N 3.49Å; A34-V104 HydrophobicContact CB-CG1 3.91Å; A34-V104 HydrophobicContact CB-CG2 4.18Å
35L95.8Very high85.8Confident2 Ų266.7 Ų66.71%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-104.2117.4168.9-164.373.7000108.7V18 I21 V37 I47 A99 M100 V101 I155V18-L35 HydrophobicContact CG2-CD2 3.58Å; I21-L35 HydrophobicContact CD1-CB 4.26Å; I21-L35 HydrophobicContact CD1-CD1 3.85Å; L35-V37 HydrophobicContact CD2-CG2 3.67Å; L35-V37 HydrophobicContact CG-CG2 3.9Å; L35-I47 HydrophobicContact CB-CB 4.41Å; L35-I47 PolarHBondContact N-O 3.02Å; L35-I47 PolarHBondContact O-N 3.18Å; L35-A99 HydrophobicContact CD1-CB 4.27Å; L35-M100 WeakPolarHBondContact CA-O 3.48Å; L35-V101 HydrophobicContact CD1-CG2 3.98Å; L35-I155 HydrophobicContact CD1-CD1 3.73Å; L35-I155 HydrophobicContact CD1-CG1 4.36Å; L35-I155 HydrophobicContact CD2-CG2 4.48Å
36G96.3Very high86.9Confident0 Ų062.6 Ų62.60%030%0.298CS..EExtended strand (participates in β ladder)trans-89.9122.1165.900000109.8L45 M100G36-L45 WeakPolarHBondContact CA-O 3.22Å; G36-M100 PolarHBondContact N-O 3.26Å; G36-M100 WeakPolarHBondContact O-CB 3.33Å; G36-M100 PolarHBondContact O-N 3.2Å
37V96Very high88.3Confident9 Ų954.1 Ų54.16%0.05526%0.259CS..EExtended strand (participates in β ladder)trans-115.8121.6179.4-175.10000109.6L16 L35 T44 L45 L97 Y98L16-V37 HydrophobicContact CD1-CG1 3.88Å; L35-V37 HydrophobicContact CD2-CG2 3.67Å; L35-V37 HydrophobicContact CG-CG2 3.9Å; V37-T44 CarbonylContact O-C 3.58Å; V37-T44 WeakPolarHBondContact O-CA 3.33Å; V37-L45 PolarHBondContact N-O 3.42Å; V37-L45 PolarHBondContact O-N 3.38Å; V37-L97 HydrophobicContact CG1-CD1 3.59Å; V37-L97 HydrophobicContact CG1-CD2 3.86Å; V37-L97 HydrophobicContact CG1-CG 3.67Å; V37-Y98 CarbonylContact C-O 3.37Å; V37-Y98 WeakPolarHBondContact CA-O 3.3Å
38R94.9Very high89.5Confident100 Ų10058.6 Ų58.638%0.37727%0.273SS..EExtended strand (participates in β ladder)trans-113.2122.6176.8177.6175.1173.6171-1.6110.5L40 D41 Y98 M100R38-L40 WeakPolarHBondContact CG-O 3.46Å; R38-L40 PolarHBondContact NE-O 2.95Å; R38-D41 IonicContact NH2-OD1 2.62Å; R38-D41 PolarHBondContact NH2-OD1 3.05Å; R38-Y98 PolarHBondContact N-O 3.16Å; R38-Y98 PolarHBondContact O-N 3.08Å; R38-M100 HydrophobicContact CB-CE 3.97Å
39L94.4Very high90.4Very high10 Ų1051.8 Ų51.85%0.05224%0.244CC..  trans-103.4115.7172.4177.774.3000107.7L14 D41 F42 F81 L92 L97 L120L14-L39 HydrophobicContact CD2-CD1 3.99Å; L14-L39 HydrophobicContact CD2-CD2 3.97Å; L14-L39 HydrophobicContact CD2-CG 4.46Å; L39-D41 PolarHBondContact O-N 2.92Å; L39-F42 HydrophobicContact CB-CD2 4.48Å; L39-F42 HydrophobicContact CD2-CD2 3.99Å; L39-F42 HydrophobicContact CD2-CE2 4.4Å; L39-F42 HydrophobicContact CG-CD2 4.16Å; L39-F42 WeakPolarHBondContact O-CB 3.27Å; L39-F42 WeakPolarHBondContact O-CD2 3.49Å; L39-F42 PolarHBondContact O-N 2.8Å; L39-F81 HydrophobicContact CD2-CD1 4.01Å; L39-F81 HydrophobicContact CD2-CE1 3.61Å; L39-F81 HydrophobicContact CD2-CZ 3.91Å; L39-L92 HydrophobicContact CD1-CD2 3.72Å; L39-L97 HydrophobicContact CB-CD1 3.85Å; L39-L97 HydrophobicContact CD1-CD1 3.86Å; L39-L97 HydrophobicContact CG-CD1 4.49Å; L39-L120 HydrophobicContact CD1-CD1 4.08Å
40L91.7Very high91.1Very high14 Ų1453.4 Ų53.47%0.07325%0.247CC..THydrogen-bonded Turntrans48.7-128.9178.6-52.8-179.6000111.7R38 F42 M83 L88 H91 L92 I95R38-L40 WeakPolarHBondContact CG-O 3.46Å; R38-L40 PolarHBondContact NE-O 2.95Å; L40-F42 HydrophobicContact CB-CD2 4.38Å; L40-M83 HydrophobicContact CD1-CE 4.03Å; L40-M83 HydrophobicContact CD1-SD 4.07Å; L40-L88 HydrophobicContact CD1-CD1 4.21Å; L40-H91 HydrophobicContact CD1-CB 3.87Å; L40-H91 HydrophobicContact CD2-CB 3.91Å; L40-L92 HydrophobicContact CD1-CD2 4.4Å; L40-L92 HydrophobicContact CD2-CD2 3.94Å; L40-L92 HydrophobicContact CG-CD2 4.14Å; L40-I95 HydrophobicContact CD2-CB 3.77Å; L40-I95 HydrophobicContact CD2-CD1 4.15Å; L40-I95 HydrophobicContact CD2-CG1 4.46Å; L40-I95 HydrophobicContact CD2-CG2 4Å
41D89.5Confident90.7Very high118 Ų11862.2 Ų62.263%0.63128%0.28SS*.THydrogen-bonded Turntrans-96.911.5175-65.1-45.8000114.3R38 L39R38-D41 IonicContact NH2-OD1 2.62Å; R38-D41 PolarHBondContact NH2-OD1 3.05Å; L39-D41 PolarHBondContact O-N 2.92Å
42F90.4Very high89.6Confident39 Ų3956.2 Ų56.217%0.17127%0.267CS..SBendtrans-71.6148.9170.7-61.8-75.3000110.7L39 L40 F81L39-F42 HydrophobicContact CB-CD2 4.48Å; L39-F42 HydrophobicContact CD2-CD2 3.99Å; L39-F42 HydrophobicContact CD2-CE2 4.4Å; L39-F42 HydrophobicContact CG-CD2 4.16Å; L39-F42 WeakPolarHBondContact O-CB 3.27Å; L39-F42 WeakPolarHBondContact O-CD2 3.49Å; L39-F42 PolarHBondContact O-N 2.8Å; L40-F42 HydrophobicContact CB-CD2 4.38Å; F42-F81 HydrophobicContact CE1-CB 3.81Å; F42-F81 HydrophobicContact CE2-CB 4.1Å; F42-F81 HydrophobicContact CE2-CD2 4.04Å; F42-F81 HydrophobicContact CE2-CG 4.1Å; F42-F81 HydrophobicContact CZ-CB 3.55Å; F42-F81 HydrophobicContact CZ-CD2 4.06Å; F42-F81 HydrophobicContact CZ-CG 4.01Å
43P91.9Very high87.7Confident63 Ų6360.6 Ų60.641%0.40929%0.289SS..PPolyproline II helixtrans-58.5140.9179.6-2534.4000113.1L45 Y256P43-L45 PolarHBondContact O-N 3.46Å; P43-L45 VanDerWaalsContact O-N 3.17Å; P43-Y256 HydrophobicContact CG-CD2 4.2Å; P43-Y256 HydrophobicContact CG-CE1 4.33Å; P43-Y256 HydrophobicContact CG-CE2 3.48Å; P43-Y256 VanDerWaalsContact CG-CE2 3.48Å
44T93.9Very high85.3Confident61 Ų6163.4 Ų63.437%0.37431%0.308SS..PPolyproline II helixtrans-57.2117.8177.9-520000111.6V37 L46 M100V37-T44 CarbonylContact O-C 3.58Å; V37-T44 WeakPolarHBondContact O-CA 3.33Å; T44-L46 HydrophobicContact CG2-CD2 4.48Å; T44-M100 HydrophobicContact CG2-CE 3.58Å
45L93.4Very high82.9Confident55 Ų5567.9 Ų67.929%0.28835%0.345SS..EExtended strand (participates in β ladder)trans-79.6120.5175.6-58.7179.2000109.7G36 V37 P43 K77 C79G36-L45 WeakPolarHBondContact CA-O 3.22Å; V37-L45 PolarHBondContact N-O 3.42Å; V37-L45 PolarHBondContact O-N 3.38Å; P43-L45 PolarHBondContact O-N 3.46Å; P43-L45 VanDerWaalsContact O-N 3.17Å; L45-K77 HydrophobicContact CD1-CB 4.37Å; L45-C79 HydrophobicContact CD1-CB 4.06Å
46L94.6Very high80.3Confident64 Ų6475.4 Ų75.434%0.33539%0.385SS..EExtended strand (participates in β ladder)trans-92.2121.6176.4-63.2177.4000111.3T44 Y48 K77 L102T44-L46 HydrophobicContact CG2-CD2 4.48Å; L46-Y48 HydrophobicContact CB-CD2 4.37Å; L46-Y48 HydrophobicContact CB-CE2 3.77Å; L46-Y48 HydrophobicContact CD1-CE2 4.3Å; L46-Y48 WeakPolarHBondContact CD1-OH 3.49Å; L46-K77 WeakPolarHBondContact O-CE 3.15Å; L46-L102 HydrophobicContact CD2-CD1 3.79Å
47I94.4Very high77.6Confident4 Ų477.8 Ų77.82%0.02140%0.402CS..EExtended strand (participates in β ladder)trans-105.6112.3170.6-46.3-173.2000107.1V18 A34 L35 F73 R75 K77V18-I47 HydrophobicContact CG2-CD1 3.79Å; A34-I47 CarbonylContact C-O 3.53Å; A34-I47 VanDerWaalsContact CA-O 3.24Å; A34-I47 WeakPolarHBondContact CA-O 3.38Å; A34-I47 WeakPolarHBondContact CB-O 3.31Å; L35-I47 HydrophobicContact CB-CB 4.41Å; L35-I47 PolarHBondContact N-O 3.02Å; L35-I47 PolarHBondContact O-N 3.18Å; I47-F73 HydrophobicContact CG2-CD1 4.04Å; I47-F73 HydrophobicContact CG2-CE1 4.47Å; I47-F73 WeakPolarHBondContact O-CE1 3.49Å; I47-R75 HydrophobicContact CG2-CB 4.09Å; I47-K77 HydrophobicContact CD1-CG 4.15Å; I47-K77 HydrophobicContact CG1-CG 3.81Å
48Y92.4Very high75Confident122 Ų12285 Ų8548%0.47844%0.441SS..EExtended strand (participates in β ladder)trans-93.3137.1177.8-68.3-88.8000111A34 L46 H50 V104A34-Y48 HydrophobicContact CB-CD1 3.84Å; A34-Y48 HydrophobicContact CB-CE1 4.15Å; A34-Y48 HydrophobicContact CB-CG 4.4Å; L46-Y48 HydrophobicContact CB-CD2 4.37Å; L46-Y48 HydrophobicContact CB-CE2 3.77Å; L46-Y48 HydrophobicContact CD1-CE2 4.3Å; L46-Y48 WeakPolarHBondContact CD1-OH 3.49Å; Y48-H50 PolarHBondContact O-N 3.31Å; Y48-V104 HydrophobicContact CD1-CG2 4.33Å; Y48-V104 HydrophobicContact CE1-CG1 4.38Å; Y48-V104 HydrophobicContact CE1-CG2 4.48Å
49Q90.8Very high72.6Confident49 Ų4987.8 Ų87.823%0.22946%0.458CS..PPolyproline II helixtrans-55139.1171.1-167.8-178.226.300110.6I33 R51 A72 F73I33-Q49 HydrophobicContact CG2-CB 4.04Å; I33-Q49 HydrophobicContact CG2-CG 4.43Å; I33-Q49 VanDerWaalsContact O-CB 3.3Å; I33-Q49 WeakPolarHBondContact O-CB 3.49Å; I33-Q49 PolarHBondContact O-N 2.9Å; Q49-R51 PolarHBondContact O-N 2.81Å; Q49-A72 WeakPolarHBondContact CG-O 3.37Å; Q49-A72 PolarHBondContact NE2-O 3Å; Q49-F73 HydrophobicContact CB-CD1 4.41Å; Q49-F73 HydrophobicContact CB-CE1 4.09Å; Q49-F73 HydrophobicContact CB-CE2 4.46Å; Q49-F73 HydrophobicContact CB-CZ 4.12Å
50H80.9Confident70.3Confident105 Ų10591 Ų9149%0.48648%0.479SS..PPolyproline II helixtrans-70.1117.7173.4-17572.4000110.7Y48 S52 R75Y48-H50 PolarHBondContact O-N 3.31Å; H50-S52 PolarHBondContact O-N 2.86Å; H50-R75 PolarHBondContact ND1-NH2 2.83Å
51R69.8Low68.4Low186 Ų18691.4 Ų91.470%0.70249%0.485SS*.  trans-76.4101.8167-176-177.2-175.8-170.71.1108.7Q49 K53Q49-R51 PolarHBondContact O-N 2.81Å; R51-K53 PolarHBondContact O-N 2.89Å
52S56.2Low66.7Low70 Ų7094.6 Ų94.649%0.4949%0.488SS..  trans-55.3131167.5530000109.5H50 S54H50-S52 PolarHBondContact O-N 2.86Å; S52-S54 PolarHBondContact O-N 2.91Å
53K47.8Very low65Low200 Ų200100.8 Ų100.887%0.8752%0.515SS*.SBendtrans-79.62.2-177.5-70.7-178.4178.3175.50113.6R51 A55R51-K53 PolarHBondContact O-N 2.89Å; K53-A55 VanDerWaalsContact C-N 3.3Å; K53-A55 PolarHBondContact O-N 2.82Å
54S42Very low63.5Low61 Ų61100.6 Ų100.643%0.42751%0.509SS..  trans-74.476.1178.552.30000111.7S52 D56 S57S52-S54 PolarHBondContact O-N 2.91Å; S54-D56 PolarHBondContact O-N 3.05Å; S54-S57 VanDerWaalsContact CB-OG 3.24Å; S54-S57 WeakPolarHBondContact CB-OG 3.18Å; S54-S57 PolarHBondContact O-N 2.88Å; S54-S57 VanDerWaalsContact O-N 3.12Å; S54-S57 PolarHBondContact O-OG 2.94Å; S54-S57 PolarHBondContact OG-OG 3.11Å
55A43.3Very low61.4Low94 Ų94103.9 Ų103.978%0.77753%0.531SS*.THydrogen-bonded Turntrans-58.1-28.6-174.800000114.3K53K53-A55 VanDerWaalsContact C-N 3.3Å; K53-A55 PolarHBondContact O-N 2.82Å
56D41.7Very low59.9Low159 Ų159104.6 Ų104.685%0.8555%0.552SS**THydrogen-bonded Turntrans-93-9.5-179.7-57.6-68.8000114S54 N58S54-D56 PolarHBondContact O-N 3.05Å; D56-N58 PolarHBondContact O-N 3.35Å
57S40.4Very low58.8Low51 Ų51103.3 Ų103.336%0.35755%0.554SS.*  trans-83.1103172.671.20000109.7S54 Q59S54-S57 VanDerWaalsContact CB-OG 3.24Å; S54-S57 WeakPolarHBondContact CB-OG 3.18Å; S54-S57 PolarHBondContact O-N 2.88Å; S54-S57 VanDerWaalsContact O-N 3.12Å; S54-S57 PolarHBondContact O-OG 2.94Å; S54-S57 PolarHBondContact OG-OG 3.11Å; S57-Q59 PolarHBondContact O-N 3.12Å
58N40.5Very low58Low161 Ų161105.4 Ų105.486%0.86156%0.563SS**  trans-6676.8155.9-82-64.5000109.1D56 P60D56-N58 PolarHBondContact O-N 3.35Å; N58-P60 WeakPolarHBondContact O-CD 3.41Å
59Q44.3Very low57.6Low157 Ų157102.5 Ų102.573%0.73455%0.552SS**  trans-92.479.3159.9-79.7-88.71.600106.8S57 A61S57-Q59 PolarHBondContact O-N 3.12Å; Q59-A61 PolarHBondContact O-N 2.7Å; Q59-A61 VanDerWaalsContact O-N 3.15Å
60P45.6Very low57.6Low77 Ų77102 Ų10250%0.555%0.549SS..  trans-61122.8169.128.4-33.8000107.3N58 R62N58-P60 WeakPolarHBondContact O-CD 3.41Å; P60-R62 VanDerWaalsContact O-CA 3.28Å; P60-R62 WeakPolarHBondContact O-CA 3Å; P60-R62 PolarHBondContact O-N 2.72Å
61A53.3Low58Low24 Ų2497 Ų9720%0.19853%0.526CS..THydrogen-bonded Turntrans-28.8110.1170.500000110.8Q59 K63 R69 E70Q59-A61 PolarHBondContact O-N 2.7Å; Q59-A61 VanDerWaalsContact O-N 3.15Å; A61-K63 PolarHBondContact O-N 2.96Å; A61-R69 HydrophobicContact CB-CG 3.55Å; A61-E70 WeakPolarHBondContact CB-O 3.44Å
62R53.9Low59.1Low184 Ų18490.6 Ų90.669%0.69451%0.513SS*.THydrogen-bonded Turntrans-46.4106.4-145.8-161.4179.9-169-176.63.2110.4P60 Q64P60-R62 VanDerWaalsContact O-CA 3.28Å; P60-R62 WeakPolarHBondContact O-CA 3Å; P60-R62 PolarHBondContact O-N 2.72Å; R62-Q64 VanDerWaalsContact C-N 3.32Å; R62-Q64 PolarHBondContact O-N 2.9Å
63K54.2Low60.8Low169 Ų16987.5 Ų87.574%0.73549%0.49SS*.BIsolated β-bridgetrans-68.891.7-176.9-79.3-172.2175.9179.50109.2A61A61-K63 PolarHBondContact O-N 2.96Å
64Q61Low62.9Low60 Ų6083.7 Ų83.728%0.2848%0.48SS..  trans-59140.7174.9-66.4-72.3900109.3R62 G66 G67 E70R62-Q64 VanDerWaalsContact C-N 3.32Å; R62-Q64 PolarHBondContact O-N 2.9Å; Q64-G66 PolarHBondContact O-N 2.86Å; Q64-G67 PolarHBondContact O-N 2.78Å; Q64-E70 PolarHBondContact NE2-OE2 2.89Å
65P49.9Very low65.3Low130 Ų13086.2 Ų86.284%0.84448%0.48SS*.THydrogen-bonded Turntrans-57.3123.5170.225.1-32.5000108.7
66G61.9Low67.6Low70 Ų7083.5 Ų83.572%0.72246%0.461SS*.THydrogen-bonded Turntrans114.9-15.1-164.200000114.1Q64 Q68Q64-G66 PolarHBondContact O-N 2.86Å; G66-Q68 VanDerWaalsContact C-N 3.33Å; G66-Q68 PolarHBondContact O-N 3.2Å
67G70.3Confident70.1Confident36 Ų3680.8 Ų80.837%0.37144%0.442SS..SBendtrans79.211.617200000115.3Q64Q64-G67 PolarHBondContact O-N 2.78Å
68Q78.8Confident72.6Confident48 Ų4882.1 Ų82.122%0.22445%0.45CS..  trans-66.4145.1165-63.2177.5-15.300109.7R22 L23 E24 G66R22-Q68 HydrophobicContact CG-CB 4.06Å; R22-Q68 VanDerWaalsContact NE-OE1 3.12Å; L23-Q68 CarbonylContact O-C 3.51Å; L23-Q68 WeakPolarHBondContact O-CA 3.26Å; E24-Q68 HydrophobicContact CG-CG 4.28Å; G66-Q68 VanDerWaalsContact C-N 3.33Å; G66-Q68 PolarHBondContact O-N 3.2Å
69R83.7Confident75Confident62 Ų6275.9 Ų75.923%0.23442%0.419CS..EExtended strand (participates in β ladder)trans-108.1122.6175.6-174.1175.9169.3177.8-7.8110.2R22 L23 V29 P30 A61 F71R22-R69 WeakPolarHBondContact CA-O 3.32Å; L23-R69 PolarHBondContact N-O 2.9Å; L23-R69 PolarHBondContact O-N 2.98Å; V29-R69 HydrophobicContact CG1-CB 4.25Å; V29-R69 HydrophobicContact CG1-CG 4.35Å; P30-R69 PolarHBondContact O-NH1 3.17Å; P30-R69 PolarHBondContact O-NH2 3.15Å; A61-R69 HydrophobicContact CB-CG 3.55Å; R69-F71 HydrophobicContact CB-CE2 4.02Å; R69-F71 HydrophobicContact CG-CD2 4.23Å; R69-F71 HydrophobicContact CG-CE2 3.68Å; R69-F71 HydrophobicContact CG-CZ 3.86Å; R69-F71 VanDerWaalsContact NE-CE1 3.35Å
70E89.6Confident77.2Confident39 Ų3972.7 Ų72.718%0.18240%0.403CS..EExtended strand (participates in β ladder)trans-102117.5-178.5-165.7-179.7112.200110.7Y20 A61 Q64Y20-E70 HydrophobicContact CD2-CG 4.07Å; Y20-E70 HydrophobicContact CG-CG 4.27Å; A61-E70 WeakPolarHBondContact CB-O 3.44Å; Q64-E70 PolarHBondContact NE2-OE2 2.89Å
71F90.3Very high79.4Confident0 Ų069.4 Ų69.40%038%0.38CS..EExtended strand (participates in β ladder)trans-101.896.2178.1-61.2-99000108.4Y20 I21 L23 V29 P30 I33 R69 F73Y20-F71 CarbonylContact C-O 3.47Å; Y20-F71 VanDerWaalsContact CA-O 3.27Å; Y20-F71 WeakPolarHBondContact CA-O 3.33Å; I21-F71 PolarHBondContact N-O 3.29Å; I21-F71 WeakPolarHBondContact O-CB 3.45Å; I21-F71 PolarHBondContact O-N 3.03Å; L23-F71 HydrophobicContact CB-CE2 4.36Å; L23-F71 HydrophobicContact CD1-CE2 3.98Å; L23-F71 HydrophobicContact CG-CE2 4.24Å; V29-F71 HydrophobicContact CG1-CZ 4.39Å; P30-F71 HydrophobicContact CG-CE1 4.2Å; P30-F71 HydrophobicContact CG-CE2 4.34Å; P30-F71 HydrophobicContact CG-CZ 3.66Å; P30-F71 WeakPolarHBondContact O-CE1 3.41Å; P30-F71 WeakPolarHBondContact O-CZ 3.23Å; I33-F71 HydrophobicContact CB-CD1 4.17Å; I33-F71 HydrophobicContact CB-CE1 4.37Å; I33-F71 HydrophobicContact CD1-CD1 4.49Å; I33-F71 HydrophobicContact CD1-CD2 4.07Å; I33-F71 HydrophobicContact CD1-CE2 4.3Å; I33-F71 HydrophobicContact CD1-CG 4.18Å; I33-F71 HydrophobicContact CG2-CB 3.75Å; I33-F71 HydrophobicContact CG2-CD1 3.4Å; I33-F71 HydrophobicContact CG2-CE1 4.07Å; I33-F71 HydrophobicContact CG2-CG 3.69Å; R69-F71 HydrophobicContact CB-CE2 4.02Å; R69-F71 HydrophobicContact CG-CD2 4.23Å; R69-F71 HydrophobicContact CG-CE2 3.68Å; R69-F71 HydrophobicContact CG-CZ 3.86Å; R69-F71 VanDerWaalsContact NE-CE1 3.35Å; F71-F73 HydrophobicContact CB-CE2 4.28Å; F71-F73 WeakPolarHBondContact O-CD2 3.23Å
72A91.8Very high81.2Confident50 Ų5070.4 Ų70.441%0.41338%0.38SS..EExtended strand (participates in β ladder)trans-64.7134.117100000110.3Q49Q49-A72 WeakPolarHBondContact CG-O 3.37Å; Q49-A72 PolarHBondContact NE2-O 3Å
73F92.9Very high82.9Confident5 Ų563 Ų632%0.02235%0.354CS..EExtended strand (participates in β ladder)trans-109.3-51.2174.4-85.8-104.6000110.8V18 D19 I21 I33 I47 Q49 F71 R75V18-F73 HydrophobicContact CB-CB 3.99Å; V18-F73 HydrophobicContact CB-CG 4.32Å; V18-F73 HydrophobicContact CG1-CB 3.89Å; V18-F73 HydrophobicContact CG1-CD2 4.12Å; V18-F73 HydrophobicContact CG1-CG 3.94Å; V18-F73 WeakPolarHBondContact O-CB 3.47Å; D19-F73 PolarHBondContact O-N 2.8Å; I21-F73 HydrophobicContact CB-CE2 4.15Å; I21-F73 HydrophobicContact CD1-CD2 4.21Å; I21-F73 HydrophobicContact CD1-CE2 3.4Å; I21-F73 HydrophobicContact CD1-CZ 3.67Å; I21-F73 HydrophobicContact CG1-CD2 3.92Å; I21-F73 HydrophobicContact CG1-CE2 3.51Å; I21-F73 HydrophobicContact CG1-CZ 4.28Å; I33-F73 HydrophobicContact CB-CZ 4.49Å; I33-F73 HydrophobicContact CG1-CZ 4.48Å; I33-F73 HydrophobicContact CG2-CE2 3.7Å; I33-F73 HydrophobicContact CG2-CZ 3.69Å; I47-F73 HydrophobicContact CG2-CD1 4.04Å; I47-F73 HydrophobicContact CG2-CE1 4.47Å; I47-F73 WeakPolarHBondContact O-CE1 3.49Å; Q49-F73 HydrophobicContact CB-CD1 4.41Å; Q49-F73 HydrophobicContact CB-CE1 4.09Å; Q49-F73 HydrophobicContact CB-CE2 4.46Å; Q49-F73 HydrophobicContact CB-CZ 4.12Å; F71-F73 HydrophobicContact CB-CE2 4.28Å; F71-F73 WeakPolarHBondContact O-CD2 3.23Å; F73-R75 WeakPolarHBondContact O-CB 3.09Å; F73-R75 VanDerWaalsContact O-CG 3.28Å; F73-R75 WeakPolarHBondContact O-CG 3.39Å; F73-R75 PolarHBondContact O-N 2.83Å; F73-R75 VanDerWaalsContact O-N 3.16Å
74N91.4Very high84.7Confident121 Ų12156.5 Ų56.565%0.64733%0.327SS*.EExtended strand (participates in β ladder)trans42.643.6-172.1-61.4-21.7000112.2V18 D19V18-N74 WeakPolarHBondContact O-CA 3.48Å; V18-N74 PolarHBondContact O-N 3.02Å; D19-N74 PolarHBondContact O-N 3.23Å; D19-N74 PolarHBondContact O-OD1 3.33Å
75R91.9Very high86Confident113 Ų11355.7 Ų55.743%0.42633%0.325SS..EExtended strand (participates in β ladder)trans-145142-167.2-88.5178.8166.1-146.9-11.2112.1V18 I47 H50 F73V18-R75 PolarHBondContact N-O 2.96Å; V18-R75 PolarHBondContact O-N 3.36Å; V18-R75 VanDerWaalsContact O-N 3.08Å; I47-R75 HydrophobicContact CG2-CB 4.09Å; H50-R75 PolarHBondContact ND1-NH2 2.83Å; F73-R75 WeakPolarHBondContact O-CB 3.09Å; F73-R75 VanDerWaalsContact O-CG 3.28Å; F73-R75 WeakPolarHBondContact O-CG 3.39Å; F73-R75 PolarHBondContact O-N 2.83Å; F73-R75 VanDerWaalsContact O-N 3.16Å
76G92.3Very high87.9Confident38 Ų3852.2 Ų52.239%0.39230%0.299SS..EExtended strand (participates in β ladder)trans-132.1177.5-175.400000115.3L16L16-G76 CarbonylContact O-C 3.58Å; L16-G76 WeakPolarHBondContact O-CA 3.44Å
77K93.9Very high89.3Confident102 Ų10251.2 Ų51.244%0.44328%0.281SS..EExtended strand (participates in β ladder)trans-142.7140.9170.9-69.1-66.9-178.2177.10108.5L16 L45 L46 I47L16-K77 PolarHBondContact N-O 3.02Å; L16-K77 PolarHBondContact O-N 2.85Å; L45-K77 HydrophobicContact CD1-CB 4.37Å; L46-K77 WeakPolarHBondContact O-CE 3.15Å; I47-K77 HydrophobicContact CD1-CG 4.15Å; I47-K77 HydrophobicContact CG1-CG 3.81Å
78C92.4Very high90.3Very high79 Ų7949.5 Ų49.553%0.53426%0.263SS..EExtended strand (participates in β ladder)trans-106145.9162.351.50000109.1L14 E15L14-C78 CarbonylContact O-C 3.56Å; L14-C78 VanDerWaalsContact O-CA 3.29Å; L14-C78 WeakPolarHBondContact O-CA 3.3Å; E15-C78 HydrophobicContact CG-CB 4.15Å
79C90.9Very high90.9Very high29 Ų2948.7 Ų48.720%0.19626%0.26CS..EExtended strand (participates in β ladder)trans-131.3139.6164.560.40000110.3S13 L14 L45S13-C79 WeakPolarHBondContact CA-O 3.05Å; L14-C79 PolarHBondContact N-O 3.15Å; L14-C79 PolarHBondContact O-N 3.35Å; L45-C79 HydrophobicContact CD1-CB 4.06Å
80F91.4Very high91.3Very high90 Ų9050.1 Ų50.140%0.39528%0.275SS..EExtended strand (participates in β ladder)trans-103132.4171.6-64.2-89.8000108.5F12 L164F12-F80 VanDerWaalsContact O-CA 3.31Å; F12-F80 WeakPolarHBondContact O-CA 3.24Å; F80-L164 HydrophobicContact CD1-CD1 4.1Å; F80-L164 HydrophobicContact CE1-CD1 3.92Å
81F91.2Very high91.5Very high8 Ų852.1 Ų52.14%0.03528%0.284CS..EExtended strand (participates in β ladder)trans-141.1153.3178.157.6-84.5000110.8F12 L14 L39 F42 M83 L88 L161F12-F81 HydrophobicContact CB-CD1 4.39Å; F12-F81 HydrophobicContact CB-CD2 4.03Å; F12-F81 HydrophobicContact CB-CE1 3.97Å; F12-F81 HydrophobicContact CB-CE2 3.57Å; F12-F81 HydrophobicContact CB-CG 4.42Å; F12-F81 HydrophobicContact CB-CZ 3.54Å; F12-F81 HydrophobicContact CD2-CD2 4.4Å; F12-F81 HydrophobicContact CD2-CE2 4.02Å; F12-F81 HydrophobicContact CG-CE2 4.01Å; F12-F81 HydrophobicContact CG-CZ 4.27Å; F12-F81 PolarHBondContact N-O 2.57Å; F12-F81 PolarHBondContact O-N 3.12Å; L14-F81 HydrophobicContact CB-CE1 3.93Å; L39-F81 HydrophobicContact CD2-CD1 4.01Å; L39-F81 HydrophobicContact CD2-CE1 3.61Å; L39-F81 HydrophobicContact CD2-CZ 3.91Å; F42-F81 HydrophobicContact CE1-CB 3.81Å; F42-F81 HydrophobicContact CE2-CB 4.1Å; F42-F81 HydrophobicContact CE2-CD2 4.04Å; F42-F81 HydrophobicContact CE2-CG 4.1Å; F42-F81 HydrophobicContact CZ-CB 3.55Å; F42-F81 HydrophobicContact CZ-CD2 4.06Å; F42-F81 HydrophobicContact CZ-CG 4.01Å; F81-M83 HydrophobicContact CD2-CB 4.31Å; F81-L88 HydrophobicContact CE2-CD1 3.72Å; F81-L88 HydrophobicContact CE2-CD2 3.82Å; F81-L88 HydrophobicContact CE2-CG 4.44Å; F81-L88 HydrophobicContact CZ-CD1 4.3Å; F81-L88 HydrophobicContact CZ-CD2 4.21Å; F81-L161 HydrophobicContact CZ-CD1 4.14Å
82K91.6Very high91.6Very high45 Ų4552.2 Ų52.220%0.19629%0.285CS..EExtended strand (participates in β ladder)trans-111.8119.7-176-175.8180-175.6-124.20108.3E9 L169E9-K82 HydrophobicContact CB-CD 4.47Å; E9-K82 HydrophobicContact CB-CG 4.05Å; E9-K82 VanDerWaalsContact OE1-CE 3.29Å; E9-K82 WeakPolarHBondContact OE1-CE 3.25Å; E9-K82 IonicContact OE1-NZ 3.19Å; E9-K82 PolarHBondContact OE1-NZ 2.99Å; E9-K82 IonicContact OE2-NZ 3.16Å; E9-K82 PolarHBondContact OE2-NZ 3Å; K82-L169 HydrophobicContact CD-CD1 4.36Å; K82-L169 HydrophobicContact CD-CD2 3.81Å; K82-L169 HydrophobicContact CG-CD1 4.38Å; K82-L169 HydrophobicContact CG-CD2 3.93Å
83M90.3Very high91.5Very high30 Ų3052.9 Ų52.915%0.14829%0.286CS..EExtended strand (participates in β ladder)trans-154.7153.6-174.6-161.9155.4178.400110.1T10 F12 L40 F81 L88 H91T10-M83 WeakPolarHBondContact CA-O 3.37Å; T10-M83 PolarHBondContact N-O 3.25Å; T10-M83 PolarHBondContact O-N 3.23Å; T10-M83 PolarHBondContact OG1-O 3.34Å; F12-M83 HydrophobicContact CD2-CB 4.27Å; F12-M83 HydrophobicContact CE2-CB 4.3Å; F12-M83 WeakPolarHBondContact CE2-O 3.28Å; L40-M83 HydrophobicContact CD1-CE 4.03Å; L40-M83 HydrophobicContact CD1-SD 4.07Å; F81-M83 HydrophobicContact CD2-CB 4.31Å; M83-L88 HydrophobicContact CE-CD1 4.49Å; M83-L88 HydrophobicContact CG-CB 4.15Å; M83-L88 HydrophobicContact SD-CB 4.17Å; M83-L88 HydrophobicContact SD-CD1 3.71Å; M83-H91 HydrophobicContact CE-CB 4.01Å; M83-H91 WeakPolarHBondContact CE-CD2 3.41Å
84N90.7Very high91.4Very high32 Ų3256.2 Ų56.217%0.17132%0.315CS..  trans-70.5142169.3170.9-79.4000110.2N7 D86 S87 L88N7-N84 WeakPolarHBondContact CB-ND2 2.94Å; N7-N84 PolarHBondContact O-ND2 3.42Å; N84-D86 WeakPolarHBondContact OD1-CB 3.41Å; N84-D86 PolarHBondContact OD1-N 3.36Å; N84-S87 PolarHBondContact O-N 2.93Å; N84-S87 PolarHBondContact OD1-N 2.65Å; N84-S87 PolarHBondContact OD1-OG 2.94Å; N84-L88 WeakPolarHBondContact O-CB 3.46Å; N84-L88 PolarHBondContact O-N 3.2Å
85L89.5Confident91.6Very high42 Ų4252.9 Ų52.922%0.2230%0.296CS..Hα-helixtrans-64.6-43.9-175.1-174.6150.2000113.3T10 F12 L88 H89 K128T10-L85 PolarHBondContact OG1-N 3.21Å; F12-L85 HydrophobicContact CZ-CB 4.23Å; F12-L85 HydrophobicContact CZ-CG 4.36Å; L85-L88 PolarHBondContact O-N 2.88Å; L85-H89 WeakPolarHBondContact O-CB 3.24Å; L85-H89 PolarHBondContact O-N 3.11Å; L85-K128 HydrophobicContact CD2-CB 4.27Å; L85-K128 HydrophobicContact CD2-CD 4.31Å; L85-K128 HydrophobicContact CD2-CG 3.95Å
86D89.7Confident91.6Very high57 Ų5749 Ų4931%0.30529%0.286SS..Hα-helixtrans-67.2-40.7176.4-70.2-65.2000111.5N7 N84 H89 V90 K128N7-D86 PolarHBondContact ND2-OD2 3.33Å; N84-D86 WeakPolarHBondContact OD1-CB 3.41Å; N84-D86 PolarHBondContact OD1-N 3.36Å; D86-H89 PolarHBondContact O-N 2.85Å; D86-V90 WeakPolarHBondContact O-CG2 3.41Å; D86-V90 PolarHBondContact O-N 2.87Å; D86-K128 WeakPolarHBondContact OD1-CE 3.35Å; D86-K128 IonicContact OD1-NZ 2.89Å; D86-K128 PolarHBondContact OD1-NZ 2.96Å
87S91.3Very high91.8Very high50 Ų5047.3 Ų47.335%0.3527%0.268SS..Hα-helixtrans-60.6-45.3173.1-53.50000111.3N84 H89 V90 H91N84-S87 PolarHBondContact O-N 2.93Å; N84-S87 PolarHBondContact OD1-N 2.65Å; N84-S87 PolarHBondContact OD1-OG 2.94Å; S87-H89 VanDerWaalsContact C-N 3.34Å; S87-H89 PolarHBondContact O-N 2.82Å; S87-V90 PolarHBondContact O-N 2.83Å; S87-H91 VanDerWaalsContact O-CB 3.3Å; S87-H91 WeakPolarHBondContact O-CB 3.22Å; S87-H91 PolarHBondContact O-CD2 2.76Å; S87-H91 PolarHBondContact O-N 3Å
88L91Very high91.8Very high0 Ų047.1 Ų47.10%027%0.265CS..Hα-helixtrans-64-40.6178.8-176.464000111.7F12 L40 F81 M83 N84 L85 H91 L92 M124F12-L88 HydrophobicContact CB-CD2 4.46Å; F12-L88 HydrophobicContact CD1-CD2 3.63Å; F12-L88 HydrophobicContact CD2-CD2 3.54Å; F12-L88 HydrophobicContact CE1-CD2 3.61Å; F12-L88 HydrophobicContact CE2-CB 4.25Å; F12-L88 HydrophobicContact CE2-CD2 3.48Å; F12-L88 VanDerWaalsContact CE2-CD2 3.48Å; F12-L88 HydrophobicContact CE2-CG 4.5Å; F12-L88 HydrophobicContact CG-CD2 3.6Å; F12-L88 HydrophobicContact CZ-CB 4.44Å; F12-L88 HydrophobicContact CZ-CD2 3.54Å; L40-L88 HydrophobicContact CD1-CD1 4.21Å; F81-L88 HydrophobicContact CE2-CD1 3.72Å; F81-L88 HydrophobicContact CE2-CD2 3.82Å; F81-L88 HydrophobicContact CE2-CG 4.44Å; F81-L88 HydrophobicContact CZ-CD1 4.3Å; F81-L88 HydrophobicContact CZ-CD2 4.21Å; M83-L88 HydrophobicContact CE-CD1 4.49Å; M83-L88 HydrophobicContact CG-CB 4.15Å; M83-L88 HydrophobicContact SD-CB 4.17Å; M83-L88 HydrophobicContact SD-CD1 3.71Å; N84-L88 WeakPolarHBondContact O-CB 3.46Å; N84-L88 PolarHBondContact O-N 3.2Å; L85-L88 PolarHBondContact O-N 2.88Å; L88-H91 PolarHBondContact O-N 3.03Å; L88-L92 HydrophobicContact CD1-CD1 3.59Å; L88-L92 HydrophobicContact CD1-CG 3.78Å; L88-L92 HydrophobicContact CD2-CD1 4.42Å; L88-L92 HydrophobicContact CG-CD1 3.89Å; L88-L92 HydrophobicContact CG-CG 4.3Å; L88-L92 WeakPolarHBondContact O-CB 3.44Å; L88-L92 PolarHBondContact O-N 3.14Å; L88-M124 HydrophobicContact CB-CE 4.19Å; L88-M124 HydrophobicContact CD2-CE 3.87Å; L88-M124 HydrophobicContact CD2-SD 3.58Å; L88-M124 VanDerWaalsContact CD2-SD 3.58Å; L88-M124 HydrophobicContact CG-CE 3.96Å; L88-M124 HydrophobicContact CG-SD 3.85Å
89H91.2Very high92Very high31 Ų3143.4 Ų43.414%0.14424%0.24CC..Hα-helixtrans-59.2-51.7175.1176.5-111.3000111.4L85 D86 S87 H91 L92 S93 M124 D125 K128L85-H89 WeakPolarHBondContact O-CB 3.24Å; L85-H89 PolarHBondContact O-N 3.11Å; D86-H89 PolarHBondContact O-N 2.85Å; S87-H89 VanDerWaalsContact C-N 3.34Å; S87-H89 PolarHBondContact O-N 2.82Å; H89-H91 PolarHBondContact O-N 2.89Å; H89-L92 PolarHBondContact O-N 2.94Å; H89-S93 VanDerWaalsContact O-CB 3.31Å; H89-S93 WeakPolarHBondContact O-CB 3.3Å; H89-S93 PolarHBondContact O-N 3.46Å; H89-S93 PolarHBondContact O-OG 2.54Å; H89-M124 HydrophobicContact CB-CE 4.24Å; H89-D125 IonicContact CD2-OD1 3.8Å; H89-D125 IonicContact CE1-OD1 2.69Å; H89-D125 IonicContact NE2-OD1 2.83Å; H89-D125 PolarHBondContact NE2-OD1 2.84Å; H89-K128 HydrophobicContact CB-CD 4.07Å; H89-K128 PolarHBondContact ND1-NZ 2.89Å; H89-K128 VanDerWaalsContact ND1-NZ 3.13Å
90V92.9Very high92.3Very high92 Ų9244.3 Ų44.356%0.55824%0.242SC*.Hα-helixtrans-59.8-46176.1171.10000111.5D86 S87 S93 A94D86-V90 WeakPolarHBondContact O-CG2 3.41Å; D86-V90 PolarHBondContact O-N 2.87Å; S87-V90 PolarHBondContact O-N 2.83Å; V90-S93 PolarHBondContact O-N 2.83Å; V90-A94 WeakPolarHBondContact O-CB 3.49Å; V90-A94 PolarHBondContact O-N 2.9Å
91H92.5Very high92.5Very high80 Ų8040 Ų4037%0.3722%0.223SC..Hα-helixtrans-67.9-38.7-177.9-82.7-71.3000113.3L40 M83 S87 L88 H89 A94 I95L40-H91 HydrophobicContact CD1-CB 3.87Å; L40-H91 HydrophobicContact CD2-CB 3.91Å; M83-H91 HydrophobicContact CE-CB 4.01Å; M83-H91 WeakPolarHBondContact CE-CD2 3.41Å; S87-H91 VanDerWaalsContact O-CB 3.3Å; S87-H91 WeakPolarHBondContact O-CB 3.22Å; S87-H91 PolarHBondContact O-CD2 2.76Å; S87-H91 PolarHBondContact O-N 3Å; L88-H91 PolarHBondContact O-N 3.03Å; H89-H91 PolarHBondContact O-N 2.89Å; H91-A94 PolarHBondContact O-N 2.98Å; H91-I95 WeakPolarHBondContact O-CA 3.47Å; H91-I95 VanDerWaalsContact O-CB 3.27Å; H91-I95 WeakPolarHBondContact O-CB 3.25Å; H91-I95 PolarHBondContact O-N 2.86Å
92L92Very high92.6Very high3 Ų340.9 Ų40.92%0.01623%0.228CC..Hα-helixtrans-83-17177.4-66.9-178.1000114.1L39 L40 L88 H89 L120 M124 L161L39-L92 HydrophobicContact CD1-CD2 3.72Å; L40-L92 HydrophobicContact CD1-CD2 4.4Å; L40-L92 HydrophobicContact CD2-CD2 3.94Å; L40-L92 HydrophobicContact CG-CD2 4.14Å; L88-L92 HydrophobicContact CD1-CD1 3.59Å; L88-L92 HydrophobicContact CD1-CG 3.78Å; L88-L92 HydrophobicContact CD2-CD1 4.42Å; L88-L92 HydrophobicContact CG-CD1 3.89Å; L88-L92 HydrophobicContact CG-CG 4.3Å; L88-L92 WeakPolarHBondContact O-CB 3.44Å; L88-L92 PolarHBondContact O-N 3.14Å; H89-L92 PolarHBondContact O-N 2.94Å; L92-L120 HydrophobicContact CB-CB 4.36Å; L92-L120 HydrophobicContact CD1-CB 4.13Å; L92-L120 HydrophobicContact CD1-CD1 4.31Å; L92-L120 HydrophobicContact CD2-CB 4.47Å; L92-L120 HydrophobicContact CD2-CD1 4.28Å; L92-M124 HydrophobicContact CB-CG 4.02Å; L92-M124 HydrophobicContact CD1-CG 3.63Å; L92-M124 HydrophobicContact CD1-SD 4.21Å; L92-M124 HydrophobicContact CG-CG 4.38Å; L92-L161 HydrophobicContact CD1-CD2 4.05Å
93S90.6Very high92.7Very high63 Ų6339.9 Ų39.944%0.44123%0.225SC..Hα-helixtrans-73.4-35.6166-57.50000111.7H89 V90H89-S93 VanDerWaalsContact O-CB 3.31Å; H89-S93 WeakPolarHBondContact O-CB 3.3Å; H89-S93 PolarHBondContact O-N 3.46Å; H89-S93 PolarHBondContact O-OG 2.54Å; V90-S93 PolarHBondContact O-N 2.83Å
94A91.6Very high92.7Very high76 Ų7639.9 Ų39.963%0.62823%0.227SC*.Hα-helixtrans-89.3-29.2-179.200000114.3V90 H91V90-A94 WeakPolarHBondContact O-CB 3.49Å; V90-A94 PolarHBondContact O-N 2.9Å; H91-A94 PolarHBondContact O-N 2.98Å
95I93.8Very high92.4Very high50 Ų5040.1 Ų40.126%0.25623%0.23SC..SBendtrans-129108.9-170.3-53178000109.7L40 H91 Y98L40-I95 HydrophobicContact CD2-CB 3.77Å; L40-I95 HydrophobicContact CD2-CD1 4.15Å; L40-I95 HydrophobicContact CD2-CG1 4.46Å; L40-I95 HydrophobicContact CD2-CG2 4Å; H91-I95 WeakPolarHBondContact O-CA 3.47Å; H91-I95 VanDerWaalsContact O-CB 3.27Å; H91-I95 WeakPolarHBondContact O-CB 3.25Å; H91-I95 PolarHBondContact O-N 2.86Å; I95-Y98 HydrophobicContact CG2-CE2 3.7Å
96P93.7Very high91.7Very high32 Ų3243.3 Ų43.321%0.20824%0.244CC..PPolyproline II helixtrans-70.3162.6176.830.6-35.3000111.8Y98 L117 I118P96-Y98 VanDerWaalsContact O-CD2 3.3Å; P96-Y98 WeakPolarHBondContact O-CD2 3.43Å; P96-Y98 WeakPolarHBondContact O-CE2 3.48Å; P96-Y98 PolarHBondContact O-N 2.91Å; P96-L117 HydrophobicContact CB-CB 4.22Å; P96-L117 HydrophobicContact CG-CB 4.07Å; P96-L117 HydrophobicContact CG-CD1 4.33Å; P96-L117 HydrophobicContact CG-CD2 4.22Å; P96-L117 HydrophobicContact CG-CG 4.43Å; P96-I118 WeakPolarHBondContact CB-O 2.85Å
97L94.6Very high90.8Very high2 Ų249.5 Ų49.51%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-69.5117.1169.3-175.877.2000109.2L14 L16 V37 L39 I118 L120L14-L97 HydrophobicContact CD2-CD1 4.22Å; L16-L97 HydrophobicContact CD1-CD2 4.28Å; L16-L97 HydrophobicContact CD2-CD2 3.68Å; V37-L97 HydrophobicContact CG1-CD1 3.59Å; V37-L97 HydrophobicContact CG1-CD2 3.86Å; V37-L97 HydrophobicContact CG1-CG 3.67Å; L39-L97 HydrophobicContact CB-CD1 3.85Å; L39-L97 HydrophobicContact CD1-CD1 3.86Å; L39-L97 HydrophobicContact CG-CD1 4.49Å; L97-I118 HydrophobicContact CB-CB 4.22Å; L97-I118 WeakPolarHBondContact CB-O 3.46Å; L97-I118 HydrophobicContact CD2-CD1 4.31Å; L97-I118 PolarHBondContact N-O 2.82Å; L97-I118 PolarHBondContact O-N 2.9Å; L97-L120 HydrophobicContact CB-CD1 4.01Å; L97-L120 HydrophobicContact CB-CG 4.21Å; L97-L120 HydrophobicContact CD1-CD1 4.43Å; L97-L120 HydrophobicContact CD2-CD1 4.46Å
98Y95.8Very high89.9Confident98 Ų9852.1 Ų52.138%0.38429%0.29SS..EExtended strand (participates in β ladder)trans-84.5117.6179.8-66.6-90.1000110.3V37 R38 I95 P96 L117V37-Y98 CarbonylContact C-O 3.37Å; V37-Y98 WeakPolarHBondContact CA-O 3.3Å; R38-Y98 PolarHBondContact N-O 3.16Å; R38-Y98 PolarHBondContact O-N 3.08Å; I95-Y98 HydrophobicContact CG2-CE2 3.7Å; P96-Y98 VanDerWaalsContact O-CD2 3.3Å; P96-Y98 WeakPolarHBondContact O-CD2 3.43Å; P96-Y98 WeakPolarHBondContact O-CE2 3.48Å; P96-Y98 PolarHBondContact O-N 2.91Å; Y98-L117 HydrophobicContact CD1-CD2 3.3Å; Y98-L117 HydrophobicContact CE1-CD2 3.43Å; Y98-L117 VanDerWaalsContact CE1-CD2 3.43Å; Y98-L117 HydrophobicContact CG-CD2 4.23Å
99A96.8Very high89.6Confident1 Ų155 Ų551%0.00831%0.31CS..EExtended strand (participates in β ladder)trans-103.9127170.900000110L35 S115 S116 I118 I155L35-A99 HydrophobicContact CD1-CB 4.27Å; A99-S115 CarbonylContact O-C 3.51Å; A99-S115 VanDerWaalsContact O-CA 3.25Å; A99-S115 WeakPolarHBondContact O-CA 3.29Å; A99-S116 PolarHBondContact N-O 2.98Å; A99-S116 PolarHBondContact O-N 2.83Å; A99-I118 HydrophobicContact CB-CD1 3.59Å; A99-I155 HydrophobicContact CB-CD1 4.12Å
100M96.3Very high89.6Confident48 Ų4857.8 Ų57.824%0.23633%0.331CS..EExtended strand (participates in β ladder)trans-121.5118.6-176.5-68.4165.7-7900109.2L35 G36 R38 T44 L102 L112L35-M100 WeakPolarHBondContact CA-O 3.48Å; G36-M100 PolarHBondContact N-O 3.26Å; G36-M100 WeakPolarHBondContact O-CB 3.33Å; G36-M100 PolarHBondContact O-N 3.2Å; R38-M100 HydrophobicContact CB-CE 3.97Å; T44-M100 HydrophobicContact CG2-CE 3.58Å; M100-L102 HydrophobicContact CB-CD2 4.46Å; M100-L112 HydrophobicContact CB-CD1 3.88Å; M100-L112 HydrophobicContact CG-CD1 4.25Å
101V95.4Very high89.5Confident0 Ų060.7 Ų60.70%033%0.332CS..EExtended strand (participates in β ladder)trans-86.5114.7177.7-175.20000108.5I21 I33 L35 V113 G114 V144 I155I21-V101 HydrophobicContact CD1-CG1 4.42Å; I21-V101 HydrophobicContact CD1-CG2 4.39Å; I21-V101 HydrophobicContact CG2-CG1 4.37Å; I21-V101 HydrophobicContact CG2-CG2 4.42Å; I33-V101 HydrophobicContact CD1-CG1 3.57Å; I33-V101 HydrophobicContact CG1-CG1 3.86Å; L35-V101 HydrophobicContact CD1-CG2 3.98Å; V101-V113 HydrophobicContact CB-CB 4.41Å; V101-V113 HydrophobicContact CG1-CB 4.16Å; V101-V113 WeakPolarHBondContact O-CB 3.24Å; V101-V113 PolarHBondContact O-N 3.05Å; V101-G114 PolarHBondContact N-O 3.25Å; V101-G114 PolarHBondContact O-N 3.19Å; V101-V144 HydrophobicContact CB-CG1 4.44Å; V101-V144 HydrophobicContact CG2-CG1 3.8Å; V101-V144 HydrophobicContact CG2-CG2 3.93Å; V101-I155 HydrophobicContact CG2-CD1 3.98Å; V101-I155 HydrophobicContact CG2-CG1 4.32Å
102L94.3Very high89.6Confident26 Ų2660 Ų6014%0.13633%0.33CS..EExtended strand (participates in β ladder)trans-111.1128.2-174.7-57.2176.7000110.7I33 A34 L46 M100 V104 R111 L112I33-L102 CarbonylContact C-O 3.48Å; I33-L102 WeakPolarHBondContact CA-O 3.43Å; A34-L102 HydrophobicContact CB-CB 4.45Å; A34-L102 PolarHBondContact N-O 2.76Å; A34-L102 PolarHBondContact O-N 3.49Å; L46-L102 HydrophobicContact CD2-CD1 3.79Å; M100-L102 HydrophobicContact CB-CD2 4.46Å; L102-V104 HydrophobicContact CB-CG1 4.28Å; L102-R111 CarbonylContact C-O 3.51Å; L102-R111 WeakPolarHBondContact CA-O 3.24Å; L102-L112 HydrophobicContact CD2-CB 4.39Å; L102-L112 HydrophobicContact CD2-CD1 3.93Å
103D92.1Very high89.6Confident24 Ų2461.2 Ų61.213%0.12834%0.338CS..EExtended strand (participates in β ladder)trans-75.5124.8161.7-171-8.9000108.3P30 S105 P110 R111 V113P30-D103 HydrophobicContact CB-CB 4.04Å; P30-D103 VanDerWaalsContact CB-CG 3.45Å; P30-D103 WeakPolarHBondContact CB-OD1 3.49Å; D103-S105 WeakPolarHBondContact OD1-CB 3.32Å; D103-S105 PolarHBondContact OD1-N 3.41Å; D103-S105 PolarHBondContact OD1-OG 3.05Å; D103-P110 WeakPolarHBondContact O-CA 3.36Å; D103-R111 HydrophobicContact CB-CB 4.34Å; D103-R111 PolarHBondContact N-O 3.49Å; D103-R111 PolarHBondContact O-N 2.83Å; D103-V113 HydrophobicContact CB-CG2 3.72Å
104V90.5Very high89.8Confident31 Ų3158.2 Ų58.219%0.18832%0.317CS..  trans-124.430.7178.4-59.20000110.7R32 A34 Y48 L102 P110R32-V104 HydrophobicContact CB-CG2 3.75Å; R32-V104 PolarHBondContact O-N 3.35Å; A34-V104 HydrophobicContact CB-CG1 3.91Å; A34-V104 HydrophobicContact CB-CG2 4.18Å; Y48-V104 HydrophobicContact CD1-CG2 4.33Å; Y48-V104 HydrophobicContact CE1-CG1 4.38Å; Y48-V104 HydrophobicContact CE1-CG2 4.48Å; L102-V104 HydrophobicContact CB-CG1 4.28Å; V104-P110 HydrophobicContact CG1-CB 4.1Å
105S83.9Confident90Very high36 Ų3656.7 Ų56.725%0.25230%0.301SS..  trans-79.2-33174.6-49.30000112.6Y31 R32 D103Y31-S105 WeakPolarHBondContact CA-OG 3.37Å; Y31-S105 PolarHBondContact N-OG 2.83Å; R32-S105 PolarHBondContact N-OG 3.27Å; R32-S105 PolarHBondContact O-OG 2.94Å; D103-S105 WeakPolarHBondContact OD1-CB 3.32Å; D103-S105 PolarHBondContact OD1-N 3.41Å; D103-S105 PolarHBondContact OD1-OG 3.05Å
106E76.6Confident90.1Very high109 Ų10954.6 Ų54.651%0.50929%0.291SS..SBendtrans-88.2121.3177-66.1176.7-169.600109.7S108E106-S108 PolarHBondContact O-N 3.05Å
107E69Low90.2Very high187 Ų18757.8 Ų57.887%0.87431%0.306SS*.THydrogen-bonded Turntrans-72.5-12-176.5-69.2-172.7150.600113.9
108S73.6Confident90.2Very high106 Ų10658.2 Ų58.274%0.74131%0.308SS*.THydrogen-bonded Turntrans-82.2-32.7-178.848.10000114.2E106E106-S108 PolarHBondContact O-N 3.05Å
109S84.9Confident90Very high60 Ų6056.7 Ų56.742%0.4231%0.312SS..  trans-167.3130.1-173.452.60000112.1
110P90.2Very high89.8Confident90 Ų9056.7 Ų56.758%0.58431%0.312SS*.  trans-70130.6171.330.4-34.2000110.5D103 V104D103-P110 WeakPolarHBondContact O-CA 3.36Å; V104-P110 HydrophobicContact CG1-CB 4.1Å
111R91.9Very high89.6Confident153 Ų15355.2 Ų55.258%0.57731%0.308SS*.EExtended strand (participates in β ladder)trans-104.2132.9-178.7173.3179176.8151.36.4111.1L102 D103 V113L102-R111 CarbonylContact C-O 3.51Å; L102-R111 WeakPolarHBondContact CA-O 3.24Å; D103-R111 HydrophobicContact CB-CB 4.34Å; D103-R111 PolarHBondContact N-O 3.49Å; D103-R111 PolarHBondContact O-N 2.83Å; R111-V113 PolarHBondContact O-N 3.32Å
112L93.2Very high89.3Confident65 Ų6561.1 Ų61.134%0.3434%0.335SS..EExtended strand (participates in β ladder)trans-67.9122.9169.8-172.765.2000110.4M100 L102 G114 L147M100-L112 HydrophobicContact CB-CD1 3.88Å; M100-L112 HydrophobicContact CG-CD1 4.25Å; L102-L112 HydrophobicContact CD2-CB 4.39Å; L102-L112 HydrophobicContact CD2-CD1 3.93Å; L112-G114 VanDerWaalsContact CD1-O 3.3Å; L112-G114 WeakPolarHBondContact CD1-O 3.38Å; L112-L147 HydrophobicContact CD2-CD2 3.98Å
113V92.8Very high89.1Confident28 Ų2859.9 Ų59.917%0.1733%0.328CS..EExtended strand (participates in β ladder)trans-90.8-42.5173.4179.30000109.9L23 V101 D103 R111 I152L23-V113 HydrophobicContact CD1-CG1 4.08Å; V101-V113 HydrophobicContact CB-CB 4.41Å; V101-V113 HydrophobicContact CG1-CB 4.16Å; V101-V113 WeakPolarHBondContact O-CB 3.24Å; V101-V113 PolarHBondContact O-N 3.05Å; D103-V113 HydrophobicContact CB-CG2 3.72Å; R111-V113 PolarHBondContact O-N 3.32Å; V113-I152 HydrophobicContact CG1-CD1 3.93Å; V113-I152 VanDerWaalsContact O-CD1 3.26Å; V113-I152 WeakPolarHBondContact O-CD1 3.35Å
114G94.3Very high89Confident0 Ų058.7 Ų58.70%032%0.322CS..EExtended strand (participates in β ladder)trans-177.1176.2178.100000112.3V101 L112 C145V101-G114 PolarHBondContact N-O 3.25Å; V101-G114 PolarHBondContact O-N 3.19Å; L112-G114 VanDerWaalsContact CD1-O 3.3Å; L112-G114 WeakPolarHBondContact CD1-O 3.38Å; G114-C145 CarbonylContact C-O 3.56Å; G114-C145 WeakPolarHBondContact CA-O 3.43Å
115S96.3Very high89Confident44 Ų4460.5 Ų60.531%0.30833%0.331SS..EExtended strand (participates in β ladder)trans-132.5166.8-178.856.70000112A99 V144 C145A99-S115 CarbonylContact O-C 3.51Å; A99-S115 VanDerWaalsContact O-CA 3.25Å; A99-S115 WeakPolarHBondContact O-CA 3.29Å; S115-V144 WeakPolarHBondContact O-CA 3.4Å; S115-C145 PolarHBondContact N-O 3.13Å; S115-C145 PolarHBondContact O-N 3.11Å
116S96.3Very high89.2Confident6 Ų665.3 Ų65.34%0.04234%0.343CS..EExtended strand (participates in β ladder)trans-150.7146.6178.2176.90000108.7A99 V142 A143A99-S116 PolarHBondContact N-O 2.98Å; A99-S116 PolarHBondContact O-N 2.83Å; S116-V142 WeakPolarHBondContact OG-CG1 3.14Å; S116-A143 VanDerWaalsContact CB-O 3.31Å; S116-A143 WeakPolarHBondContact CB-O 3.19Å; S116-A143 PolarHBondContact OG-O 2.89Å; S116-A143 VanDerWaalsContact OG-O 3.11Å
117L94.6Very high89.7Confident99 Ų9960.2 Ų60.252%0.51832%0.32SS..EExtended strand (participates in β ladder)trans-112.8127.3177.7-54.9-178.1000108.9P96 Y98P96-L117 HydrophobicContact CB-CB 4.22Å; P96-L117 HydrophobicContact CG-CB 4.07Å; P96-L117 HydrophobicContact CG-CD1 4.33Å; P96-L117 HydrophobicContact CG-CD2 4.22Å; P96-L117 HydrophobicContact CG-CG 4.43Å; Y98-L117 HydrophobicContact CD1-CD2 3.3Å; Y98-L117 HydrophobicContact CE1-CD2 3.43Å; Y98-L117 VanDerWaalsContact CE1-CD2 3.43Å; Y98-L117 HydrophobicContact CG-CD2 4.23Å
118I94.4Very high90.5Very high12 Ų1254.8 Ų54.86%0.06229%0.293CS..EExtended strand (participates in β ladder)trans-117115.8179-58.1123.2000108.1P96 L97 A99 V142 L157 Y159P96-I118 WeakPolarHBondContact CB-O 2.85Å; L97-I118 HydrophobicContact CB-CB 4.22Å; L97-I118 WeakPolarHBondContact CB-O 3.46Å; L97-I118 HydrophobicContact CD2-CD1 4.31Å; L97-I118 PolarHBondContact N-O 2.82Å; L97-I118 PolarHBondContact O-N 2.9Å; A99-I118 HydrophobicContact CB-CD1 3.59Å; I118-V142 HydrophobicContact CG1-CB 4.49Å; I118-V142 HydrophobicContact CG1-CG1 4.5Å; I118-V142 HydrophobicContact CG1-CG2 3.98Å; I118-L157 HydrophobicContact CD1-CD2 3.62Å; I118-L157 HydrophobicContact CG1-CD2 4.06Å; I118-Y159 HydrophobicContact CG2-CD1 4.38Å; I118-Y159 HydrophobicContact CG2-CE1 4.22Å
119S93.3Very high90.9Very high65 Ų6556.7 Ų56.746%0.45529%0.294SS..  trans-68.1137.8174-174.30000110.5A121S119-A121 WeakPolarHBondContact OG-CB 3.44Å; S119-A121 PolarHBondContact OG-N 3.48Å
120L92.3Very high90.4Very high1 Ų158.9 Ų58.91%0.00530%0.301CS..  trans-116.311.1168.9-61.4-179.7000111.5L14 L39 L92 L97 A123 M124 Y159L14-L120 HydrophobicContact CD2-CD1 4.34Å; L39-L120 HydrophobicContact CD1-CD1 4.08Å; L92-L120 HydrophobicContact CB-CB 4.36Å; L92-L120 HydrophobicContact CD1-CB 4.13Å; L92-L120 HydrophobicContact CD1-CD1 4.31Å; L92-L120 HydrophobicContact CD2-CB 4.47Å; L92-L120 HydrophobicContact CD2-CD1 4.28Å; L97-L120 HydrophobicContact CB-CD1 4.01Å; L97-L120 HydrophobicContact CB-CG 4.21Å; L97-L120 HydrophobicContact CD1-CD1 4.43Å; L97-L120 HydrophobicContact CD2-CD1 4.46Å; L120-A123 WeakPolarHBondContact O-CB 3.36Å; L120-A123 PolarHBondContact O-N 2.77Å; L120-M124 PolarHBondContact O-N 2.81Å; L120-M124 VanDerWaalsContact O-N 3.13Å; L120-Y159 HydrophobicContact CD2-CD1 3.97Å; L120-Y159 HydrophobicContact CD2-CD2 3.68Å; L120-Y159 HydrophobicContact CD2-CE1 3.83Å; L120-Y159 HydrophobicContact CD2-CE2 3.56Å; L120-Y159 HydrophobicContact CD2-CG 3.89Å
121A91.1Very high88.9Confident18 Ų1860.5 Ų60.515%0.14931%0.314CS..Hα-helixtrans-60.7-54.8-178.700000111.5S119 A123 M124 D125S119-A121 WeakPolarHBondContact OG-CB 3.44Å; S119-A121 PolarHBondContact OG-N 3.48Å; A121-A123 PolarHBondContact O-N 2.83Å; A121-A123 VanDerWaalsContact O-N 3.11Å; A121-M124 CarbonylContact O-C 3.56Å; A121-M124 WeakPolarHBondContact O-CA 3.42Å; A121-M124 PolarHBondContact O-N 3.35Å; A121-D125 PolarHBondContact O-N 2.8Å
122E90.3Very high87.6Confident123 Ų12357.2 Ų57.258%0.57531%0.314SS*.Hα-helixtrans-55.9-33.4178.6-63.1177.7-142.900113.2R126E122-R126 WeakPolarHBondContact O-CD 3.44Å; E122-R126 VanDerWaalsContact O-CG 3.24Å; E122-R126 WeakPolarHBondContact O-CG 3.43Å; E122-R126 PolarHBondContact O-N 2.82Å
123A89.6Confident86.6Confident0 Ų058.8 Ų58.80%033%0.329CS..Hα-helixtrans-67.3-43.7175.500000111.2L120 A121 I127 H136 Y159 L161L120-A123 WeakPolarHBondContact O-CB 3.36Å; L120-A123 PolarHBondContact O-N 2.77Å; A121-A123 PolarHBondContact O-N 2.83Å; A121-A123 VanDerWaalsContact O-N 3.11Å; A123-I127 WeakPolarHBondContact O-CB 3.24Å; A123-I127 WeakPolarHBondContact O-CD1 3.3Å; A123-I127 VanDerWaalsContact O-CG1 3.24Å; A123-I127 WeakPolarHBondContact O-CG1 3.45Å; A123-I127 PolarHBondContact O-N 2.84Å; A123-H136 VanDerWaalsContact CA-CD2 3.48Å; A123-H136 WeakPolarHBondContact CA-CD2 3.44Å; A123-H136 HydrophobicContact CB-CB 4.3Å; A123-H136 VanDerWaalsContact CB-CD2 3.43Å; A123-H136 WeakPolarHBondContact CB-CD2 3.42Å; A123-Y159 HydrophobicContact CB-CE2 3.93Å; A123-L161 HydrophobicContact CB-CD2 4.33Å
124M90.1Very high86.1Confident0 Ų058 Ų580%033%0.325CS..Hα-helixtrans-72.1-33.3176.8-77.5-54.7-51.500113.4L88 H89 L92 L120 A121 I127 K128 L161L88-M124 HydrophobicContact CB-CE 4.19Å; L88-M124 HydrophobicContact CD2-CE 3.87Å; L88-M124 HydrophobicContact CD2-SD 3.58Å; L88-M124 VanDerWaalsContact CD2-SD 3.58Å; L88-M124 HydrophobicContact CG-CE 3.96Å; L88-M124 HydrophobicContact CG-SD 3.85Å; H89-M124 HydrophobicContact CB-CE 4.24Å; L92-M124 HydrophobicContact CB-CG 4.02Å; L92-M124 HydrophobicContact CD1-CG 3.63Å; L92-M124 HydrophobicContact CD1-SD 4.21Å; L92-M124 HydrophobicContact CG-CG 4.38Å; L120-M124 PolarHBondContact O-N 2.81Å; L120-M124 VanDerWaalsContact O-N 3.13Å; A121-M124 CarbonylContact O-C 3.56Å; A121-M124 WeakPolarHBondContact O-CA 3.42Å; A121-M124 PolarHBondContact O-N 3.35Å; M124-I127 HydrophobicContact CE-CG2 4.19Å; M124-I127 PolarHBondContact O-N 2.84Å; M124-I127 HydrophobicContact SD-CD1 4.24Å; M124-K128 WeakPolarHBondContact O-CB 3.41Å; M124-K128 PolarHBondContact O-N 2.87Å; M124-L161 HydrophobicContact CG-CD2 4.01Å; M124-L161 HydrophobicContact SD-CD2 3.58Å; M124-L161 VanDerWaalsContact SD-CD2 3.58Å; M124-L161 HydrophobicContact SD-CG 4.45Å
125D89.9Confident85.7Confident68 Ų6861 Ų6136%0.36435%0.349SS..Hα-helixtrans-62-48.2173.9-67.7-45.1000110.7H89 A121 I127 K128 L129H89-D125 IonicContact CD2-OD1 3.8Å; H89-D125 IonicContact CE1-OD1 2.69Å; H89-D125 IonicContact NE2-OD1 2.83Å; H89-D125 PolarHBondContact NE2-OD1 2.84Å; A121-D125 PolarHBondContact O-N 2.8Å; D125-I127 VanDerWaalsContact C-N 3.35Å; D125-I127 PolarHBondContact O-N 2.89Å; D125-K128 PolarHBondContact O-N 2.87Å; D125-L129 WeakPolarHBondContact O-CG 3.5Å; D125-L129 PolarHBondContact O-N 2.83Å
126R88.6Confident85.4Confident137 Ų13760.3 Ų60.352%0.51734%0.341SS..Hα-helixtrans-61.3-40.4175.5-67.9169-170.5-118.811.6112.3E122 H136E122-R126 WeakPolarHBondContact O-CD 3.44Å; E122-R126 VanDerWaalsContact O-CG 3.24Å; E122-R126 WeakPolarHBondContact O-CG 3.43Å; E122-R126 PolarHBondContact O-N 2.82Å; R126-H136 VanDerWaalsContact CD-CE1 3.41Å; R126-H136 WeakPolarHBondContact CD-CE1 3.45Å; R126-H136 VanDerWaalsContact CD-ND1 3.3Å; R126-H136 WeakPolarHBondContact CD-ND1 3.29Å
127I87.3Confident85.2Confident2 Ų264.1 Ų64.11%0.0136%0.364CS..Hα-helixtrans-66.4-39.7175.2-74.3166.6000111.4A123 M124 D125 L130 H136 L161 C163A123-I127 WeakPolarHBondContact O-CB 3.24Å; A123-I127 WeakPolarHBondContact O-CD1 3.3Å; A123-I127 VanDerWaalsContact O-CG1 3.24Å; A123-I127 WeakPolarHBondContact O-CG1 3.45Å; A123-I127 PolarHBondContact O-N 2.84Å; M124-I127 HydrophobicContact CE-CG2 4.19Å; M124-I127 PolarHBondContact O-N 2.84Å; M124-I127 HydrophobicContact SD-CD1 4.24Å; D125-I127 VanDerWaalsContact C-N 3.35Å; D125-I127 PolarHBondContact O-N 2.89Å; I127-L130 PolarHBondContact O-N 2.8Å; I127-L130 VanDerWaalsContact O-O 3.07Å; I127-H136 HydrophobicContact CD1-CB 4.41Å; I127-H136 HydrophobicContact CG1-CB 4.38Å; I127-L161 HydrophobicContact CD1-CB 4.1Å; I127-L161 HydrophobicContact CD1-CD2 4.05Å; I127-L161 HydrophobicContact CD1-CG 3.74Å; I127-C163 HydrophobicContact CG2-CB 3.83Å
128K85.6Confident84.9Confident74 Ų7460 Ų6032%0.32235%0.345SS..Hα-helixtrans-71.3-31.3-177.7-175.6166.3-167.9169.80113.3L85 D86 H89 M124 D125 L130L85-K128 HydrophobicContact CD2-CB 4.27Å; L85-K128 HydrophobicContact CD2-CD 4.31Å; L85-K128 HydrophobicContact CD2-CG 3.95Å; D86-K128 WeakPolarHBondContact OD1-CE 3.35Å; D86-K128 IonicContact OD1-NZ 2.89Å; D86-K128 PolarHBondContact OD1-NZ 2.96Å; H89-K128 HydrophobicContact CB-CD 4.07Å; H89-K128 PolarHBondContact ND1-NZ 2.89Å; H89-K128 VanDerWaalsContact ND1-NZ 3.13Å; M124-K128 WeakPolarHBondContact O-CB 3.41Å; M124-K128 PolarHBondContact O-N 2.87Å; D125-K128 PolarHBondContact O-N 2.87Å; K128-L130 PolarHBondContact O-N 2.83Å
129L82.6Confident84.8Confident145 Ų14566 Ų6676%0.75937%0.371SS*.Hα-helixtrans-67.8-20.9172.9-71.2168000113.1D125D125-L129 WeakPolarHBondContact O-CG 3.5Å; D125-L129 PolarHBondContact O-N 2.83Å
130L73.1Confident84.8Confident106 Ų10664.1 Ų64.156%0.55536%0.362SS*.  trans-10899.9-176.8-63176.5000110.5I127 K128 S132I127-L130 PolarHBondContact O-N 2.8Å; I127-L130 VanDerWaalsContact O-O 3.07Å; K128-L130 PolarHBondContact O-N 2.83Å; L130-S132 PolarHBondContact O-N 2.84Å
131S60.5Low84.9Confident124 Ų12468.2 Ų68.287%0.86739%0.387SS*.SBendtrans-69.235.8-179.2-48.20000114.9
132S63.5Low85.2Confident84 Ų8469.2 Ų69.259%0.58739%0.391SS*.SBendtrans-152.1166.4-174.3-75.80000110.1L130 S134L130-S132 PolarHBondContact O-N 2.84Å; S132-S134 WeakPolarHBondContact O-CB 3.39Å; S132-S134 PolarHBondContact O-N 3.28Å; S132-S134 PolarHBondContact O-OG 3.47Å
133P72.1Confident85.4Confident99 Ų9965.4 Ų65.464%0.64338%0.381SS*.SBendtrans-56.9109.4177.8-24.635.3000110.9C163P133-C163 CarbonylContact C-O 3.59Å; P133-C163 VanDerWaalsContact CA-O 3.24Å; P133-C163 WeakPolarHBondContact CA-O 3.46Å
134S82.7Confident85.7Confident12 Ų1265.4 Ų65.48%0.08438%0.381CS..  trans-127.3143.2-168.4550000110.1S132 L162 C163S132-S134 WeakPolarHBondContact O-CB 3.39Å; S132-S134 PolarHBondContact O-N 3.28Å; S132-S134 PolarHBondContact O-OG 3.47Å; S134-L162 WeakPolarHBondContact O-CA 3.45Å; S134-C163 PolarHBondContact N-O 3.33Å; S134-C163 PolarHBondContact O-N 3.46Å
135A86.5Confident86Confident61 Ų6167.3 Ų67.350%0.50439%0.393SS..EExtended strand (participates in β ladder)trans-122.7132.5177.700000109.3L161 L162A135-L161 WeakPolarHBondContact CA-O 3.49Å; A135-L162 HydrophobicContact CB-CB 4.46Å; A135-L162 HydrophobicContact CB-CD2 4.07Å; A135-L162 HydrophobicContact CB-CG 3.84Å
136H89.4Confident86.2Confident30 Ų3065.7 Ų65.714%0.13939%0.385CS..EExtended strand (participates in β ladder)trans-118.5128.7168.9-176.765.6000110.5A123 R126 I127 K160 L161A123-H136 VanDerWaalsContact CA-CD2 3.48Å; A123-H136 WeakPolarHBondContact CA-CD2 3.44Å; A123-H136 HydrophobicContact CB-CB 4.3Å; A123-H136 VanDerWaalsContact CB-CD2 3.43Å; A123-H136 WeakPolarHBondContact CB-CD2 3.42Å; R126-H136 VanDerWaalsContact CD-CE1 3.41Å; R126-H136 WeakPolarHBondContact CD-CE1 3.45Å; R126-H136 VanDerWaalsContact CD-ND1 3.3Å; R126-H136 WeakPolarHBondContact CD-ND1 3.29Å; I127-H136 HydrophobicContact CD1-CB 4.41Å; I127-H136 HydrophobicContact CG1-CB 4.38Å; H136-K160 CarbonylContact O-C 3.58Å; H136-K160 VanDerWaalsContact O-CA 3.32Å; H136-K160 WeakPolarHBondContact O-CA 3.38Å; H136-L161 PolarHBondContact N-O 3.08Å; H136-L161 PolarHBondContact O-N 2.95Å
137T90.9Very high86.2Confident86 Ų8666.5 Ų66.553%0.52840%0.399SS..EExtended strand (participates in β ladder)trans-109.3126.1177-53.40000109.2Y159 K160T137-Y159 CarbonylContact C-O 3.54Å; T137-Y159 WeakPolarHBondContact CA-O 3.25Å; T137-K160 HydrophobicContact CG2-CB 4.32Å
138G89.1Confident86.4Confident12 Ų1270.4 Ų70.412%0.12443%0.426CS..EExtended strand (participates in β ladder)trans-118.2144.8171.100000111.1S158 Y159G138-S158 CarbonylContact O-C 3.57Å; G138-S158 VanDerWaalsContact O-CA 3.23Å; G138-S158 WeakPolarHBondContact O-CA 3.27Å; G138-S158 WeakPolarHBondContact O-CB 3.4Å; G138-Y159 PolarHBondContact N-O 3.19Å; G138-Y159 PolarHBondContact O-N 3.45Å; G138-Y159 VanDerWaalsContact O-O 3.11Å
139K93.3Very high86.7Confident138 Ų13869.2 Ų69.260%0.644%0.435SS*.EExtended strand (participates in β ladder)trans-131.3137.8169.9-176.7161.5-173.4145.30109.6D19D19-K139 VanDerWaalsContact CG-NZ 3.29Å; D19-K139 IonicContact OD1-NZ 2.57Å; D19-K139 PolarHBondContact OD1-NZ 3.04Å; D19-K139 VanDerWaalsContact OD1-NZ 3.12Å; D19-K139 WeakPolarHBondContact OD2-CE 3.42Å; D19-K139 IonicContact OD2-NZ 3.15Å; D19-K139 PolarHBondContact OD2-NZ 3.2Å
140G92.2Very high87.3Confident27 Ų2767.9 Ų67.928%0.27843%0.425SS..EExtended strand (participates in β ladder)trans-160.5158.3-176.800000113.9L157G140-L157 PolarHBondContact N-O 3.44Å; G140-L157 PolarHBondContact O-N 2.74Å; G140-L157 VanDerWaalsContact O-O 3.1Å
141V95.3Very high88.3Confident86 Ų8669 Ų6952%0.52143%0.425SS..EExtended strand (participates in β ladder)trans-110.9106.2171.2-179.60000107.7A154 I155V141-A154 HydrophobicContact CG1-CB 3.79Å; V141-I155 CarbonylContact C-O 3.6Å; V141-I155 VanDerWaalsContact CA-O 3.31Å; V141-I155 WeakPolarHBondContact CA-O 3.24Å
142V95.7Very high89.9Confident40 Ų4063.9 Ų63.924%0.24239%0.388CS..EExtended strand (participates in β ladder)trans-105.8139.7-172.7-162.20000110.1S116 I118 A154 I155S116-V142 WeakPolarHBondContact OG-CG1 3.14Å; I118-V142 HydrophobicContact CG1-CB 4.49Å; I118-V142 HydrophobicContact CG1-CG1 4.5Å; I118-V142 HydrophobicContact CG1-CG2 3.98Å; V142-A154 CarbonylContact O-C 3.54Å; V142-A154 WeakPolarHBondContact O-CA 3.31Å; V142-A154 WeakPolarHBondContact O-CB 3.4Å; V142-I155 PolarHBondContact N-O 2.73Å; V142-I155 PolarHBondContact O-N 2.83Å
143A96.2Very high91.3Very high43 Ų4360 Ų6036%0.35536%0.361SS..EExtended strand (participates in β ladder)trans-66.4140.4-179.600000111.8S116 K151S116-A143 VanDerWaalsContact CB-O 3.31Å; S116-A143 WeakPolarHBondContact CB-O 3.19Å; S116-A143 PolarHBondContact OG-O 2.89Å; S116-A143 VanDerWaalsContact OG-O 3.11Å; A143-K151 HydrophobicContact CB-CD 4.28Å; A143-K151 HydrophobicContact CB-CG 4.36Å
144V96.1Very high92.4Very high0 Ų055.6 Ų55.60%033%0.333CS..EExtended strand (participates in β ladder)trans-97.5124.5167.9-177.10000107.8V101 S115 K151 I152 G153 I155V101-V144 HydrophobicContact CB-CG1 4.44Å; V101-V144 HydrophobicContact CG2-CG1 3.8Å; V101-V144 HydrophobicContact CG2-CG2 3.93Å; S115-V144 WeakPolarHBondContact O-CA 3.4Å; V144-K151 WeakPolarHBondContact O-CA 3.45Å; V144-I152 HydrophobicContact CB-CG1 4.27Å; V144-I152 HydrophobicContact CG1-CD1 4.02Å; V144-I152 HydrophobicContact CG1-CG1 3.84Å; V144-I152 WeakPolarHBondContact O-CG1 3.37Å; V144-I152 PolarHBondContact O-N 2.84Å; V144-G153 PolarHBondContact N-O 3.17Å; V144-G153 PolarHBondContact O-N 2.81Å; V144-I155 HydrophobicContact CG2-CD1 3.73Å; V144-I155 HydrophobicContact CG2-CG1 3.56Å
145C95.4Very high93.1Very high39 Ų3955 Ų5526%0.26433%0.329SS..EExtended strand (participates in β ladder)trans-105.6151.9172.7-67.90000110.9G114 S115 G149 E150G114-C145 CarbonylContact C-O 3.56Å; G114-C145 WeakPolarHBondContact CA-O 3.43Å; S115-C145 PolarHBondContact N-O 3.13Å; S115-C145 PolarHBondContact O-N 3.11Å; C145-G149 PolarHBondContact SG-O 3.36Å; C145-E150 CarbonylContact C-O 3.46Å; C145-E150 VanDerWaalsContact CA-O 3.22Å; C145-E150 WeakPolarHBondContact CA-O 3.45Å
146N93.3Very high93.6Very high34 Ų3452.3 Ų52.318%0.18231%0.307CS..  trans-82.1-173.2169.467.410000111.2S148 G149 E150 I152N146-S148 VanDerWaalsContact CG-OG 3.29Å; N146-S148 PolarHBondContact ND2-OG 3.38Å; N146-S148 PolarHBondContact O-N 3.31Å; N146-S148 WeakPolarHBondContact OD1-CA 3.27Å; N146-S148 PolarHBondContact OD1-N 3.24Å; N146-S148 PolarHBondContact OD1-OG 3.07Å; N146-G149 PolarHBondContact O-N 3.01Å; N146-G149 PolarHBondContact OD1-N 3.41Å; N146-G149 VanDerWaalsContact OD1-N 3.14Å; N146-E150 PolarHBondContact N-O 3.31Å; N146-E150 PolarHBondContact ND2-OE2 2.83Å; N146-E150 PolarHBondContact OD1-N 2.87Å; N146-E150 PolarHBondContact OD1-O 2.95Å; N146-I152 HydrophobicContact CB-CD1 4.18Å; N146-I152 HydrophobicContact CB-CG1 4.48Å; N146-I152 HydrophobicContact CB-CG2 3.86Å
147L89.8Confident93.9Very high154 Ų15451.2 Ų51.281%0.80630%0.302SS*.THydrogen-bonded Turntrans-67.4-19.2179.1-69.4174.5000114.3L112 G149L112-L147 HydrophobicContact CD2-CD2 3.98Å; L147-G149 VanDerWaalsContact C-N 3.33Å
148S92.1Very high94.1Very high84 Ų8448.1 Ų48.159%0.58728%0.284SS*.THydrogen-bonded Turntrans-86.5-0.2171.519.10000113N146 E150N146-S148 VanDerWaalsContact CG-OG 3.29Å; N146-S148 PolarHBondContact ND2-OG 3.38Å; N146-S148 PolarHBondContact O-N 3.31Å; N146-S148 WeakPolarHBondContact OD1-CA 3.27Å; N146-S148 PolarHBondContact OD1-N 3.24Å; N146-S148 PolarHBondContact OD1-OG 3.07Å; S148-E150 WeakPolarHBondContact CB-OE2 3.47Å; S148-E150 PolarHBondContact O-N 2.81Å; S148-E150 PolarHBondContact OG-OE2 2.83Å
149G91.9Very high94.4Very high50 Ų5048.9 Ų48.952%0.51528%0.283SS..SBendtrans81.6-5-176.300000114.4C145 N146 L147C145-G149 PolarHBondContact SG-O 3.36Å; N146-G149 PolarHBondContact O-N 3.01Å; N146-G149 PolarHBondContact OD1-N 3.41Å; N146-G149 VanDerWaalsContact OD1-N 3.14Å; L147-G149 VanDerWaalsContact C-N 3.33Å
150E93.7Very high94.4Very high117 Ų11745.1 Ų45.155%0.54727%0.266SS..  trans-68.9134.8178.8-54.3161.2113.300110.1C145 N146 S148 I152C145-E150 CarbonylContact C-O 3.46Å; C145-E150 VanDerWaalsContact CA-O 3.22Å; C145-E150 WeakPolarHBondContact CA-O 3.45Å; N146-E150 PolarHBondContact N-O 3.31Å; N146-E150 PolarHBondContact ND2-OE2 2.83Å; N146-E150 PolarHBondContact OD1-N 2.87Å; N146-E150 PolarHBondContact OD1-O 2.95Å; S148-E150 WeakPolarHBondContact CB-OE2 3.47Å; S148-E150 PolarHBondContact O-N 2.81Å; S148-E150 PolarHBondContact OG-OE2 2.83Å; E150-I152 PolarHBondContact O-N 3.31Å
151K94.2Very high94.5Very high129 Ų12943.9 Ų43.956%0.56125%0.253SS*.EExtended strand (participates in β ladder)trans-67.3125176.9179.6179.2171.1-175.70110.5A143 V144A143-K151 HydrophobicContact CB-CD 4.28Å; A143-K151 HydrophobicContact CB-CG 4.36Å; V144-K151 WeakPolarHBondContact O-CA 3.45Å
152I93.6Very high94.4Very high17 Ų1741 Ų419%0.08724%0.235CC..EExtended strand (participates in β ladder)trans-119.81178.859.7162.3000113.6E24 V113 V144 N146 E150E24-I152 WeakPolarHBondContact CB-O 3.13Å; E24-I152 PolarHBondContact N-O 2.87Å; V113-I152 HydrophobicContact CG1-CD1 3.93Å; V113-I152 VanDerWaalsContact O-CD1 3.26Å; V113-I152 WeakPolarHBondContact O-CD1 3.35Å; V144-I152 HydrophobicContact CB-CG1 4.27Å; V144-I152 HydrophobicContact CG1-CD1 4.02Å; V144-I152 HydrophobicContact CG1-CG1 3.84Å; V144-I152 WeakPolarHBondContact O-CG1 3.37Å; V144-I152 PolarHBondContact O-N 2.84Å; N146-I152 HydrophobicContact CB-CD1 4.18Å; N146-I152 HydrophobicContact CB-CG1 4.48Å; N146-I152 HydrophobicContact CB-CG2 3.86Å; E150-I152 PolarHBondContact O-N 3.31Å
153G94.4Very high94.2Very high1 Ų139.5 Ų39.51%0.0123%0.226CC..EExtended strand (participates in β ladder)trans167.8-159.8-178.500000114.8R22 V144R22-G153 CarbonylContact O-C 3.56Å; R22-G153 WeakPolarHBondContact O-CA 3.3Å; V144-G153 PolarHBondContact N-O 3.17Å; V144-G153 PolarHBondContact O-N 2.81Å
154A95.7Very high93.8Very high7 Ų739.3 Ų39.36%0.05822%0.219CC..EExtended strand (participates in β ladder)trans-151.4152.5173.100000112.1R22 V141 V142R22-A154 PolarHBondContact N-O 2.92Å; R22-A154 PolarHBondContact O-N 2.95Å; V141-A154 HydrophobicContact CG1-CB 3.79Å; V142-A154 CarbonylContact O-C 3.54Å; V142-A154 WeakPolarHBondContact O-CA 3.31Å; V142-A154 WeakPolarHBondContact O-CB 3.4Å
155I96.1Very high93.3Very high0 Ų040 Ų400%023%0.226CC..EExtended strand (participates in β ladder)trans-110.2130.1170.2-59.1152.1000107.9V18 I21 L35 A99 V101 V141 V142 V144 L157V18-I155 HydrophobicContact CG1-CG2 4.11Å; I21-I155 HydrophobicContact CD1-CG1 4.32Å; I21-I155 HydrophobicContact CG1-CG1 4.05Å; I21-I155 HydrophobicContact CG1-CG2 4.27Å; I21-I155 HydrophobicContact CG2-CG1 4.11Å; L35-I155 HydrophobicContact CD1-CD1 3.73Å; L35-I155 HydrophobicContact CD1-CG1 4.36Å; L35-I155 HydrophobicContact CD2-CG2 4.48Å; A99-I155 HydrophobicContact CB-CD1 4.12Å; V101-I155 HydrophobicContact CG2-CD1 3.98Å; V101-I155 HydrophobicContact CG2-CG1 4.32Å; V141-I155 CarbonylContact C-O 3.6Å; V141-I155 VanDerWaalsContact CA-O 3.31Å; V141-I155 WeakPolarHBondContact CA-O 3.24Å; V142-I155 PolarHBondContact N-O 2.73Å; V142-I155 PolarHBondContact O-N 2.83Å; V144-I155 HydrophobicContact CG2-CD1 3.73Å; V144-I155 HydrophobicContact CG2-CG1 3.56Å; I155-L157 HydrophobicContact CG2-CB 4.23Å; I155-L157 HydrophobicContact CG2-CD2 3.88Å
156S96.4Very high92.7Very high5 Ų540 Ų404%0.03523%0.228CC..EExtended strand (participates in β ladder)trans-94.5120.9163.5-173.70000109.3D19 Y20D19-S156 PolarHBondContact N-O 3.31Å; D19-S156 PolarHBondContact OD2-OG 3.17Å; Y20-S156 VanDerWaalsContact CZ-CB 3.46Å; Y20-S156 PolarHBondContact O-N 2.9Å
157L95.7Very high92Very high7 Ų742.3 Ų42.34%0.03725%0.248CC..EExtended strand (participates in β ladder)trans-142.6154.1179.768.193000111.4L17 I118 G140 I155 Y159L17-L157 CarbonylContact O-C 3.5Å; L17-L157 VanDerWaalsContact O-CA 3.23Å; L17-L157 WeakPolarHBondContact O-CA 3.44Å; L17-L157 WeakPolarHBondContact O-CB 3.5Å; I118-L157 HydrophobicContact CD1-CD2 3.62Å; I118-L157 HydrophobicContact CG1-CD2 4.06Å; G140-L157 PolarHBondContact N-O 3.44Å; G140-L157 PolarHBondContact O-N 2.74Å; G140-L157 VanDerWaalsContact O-O 3.1Å; I155-L157 HydrophobicContact CG2-CB 4.23Å; I155-L157 HydrophobicContact CG2-CD2 3.88Å; L157-Y159 HydrophobicContact CD1-CD1 4.08Å
158S95.6Very high91.2Very high21 Ų2138.7 Ų38.715%0.14723%0.229CC..EExtended strand (participates in β ladder)trans-121146.3161.453.70000110.2L17 G138L17-S158 PolarHBondContact N-O 2.73Å; L17-S158 PolarHBondContact O-N 2.97Å; G138-S158 CarbonylContact O-C 3.57Å; G138-S158 VanDerWaalsContact O-CA 3.23Å; G138-S158 WeakPolarHBondContact O-CA 3.27Å; G138-S158 WeakPolarHBondContact O-CB 3.4Å
159Y95Very high90.5Very high28 Ų2835.5 Ų35.511%0.1121%0.205CC..EExtended strand (participates in β ladder)trans-126.6153.9173.566.8-99.6000109.5E15 I118 L120 A123 T137 G138 L157E15-Y159 CarbonylContact O-C 3.35Å; E15-Y159 VanDerWaalsContact O-CA 3.24Å; E15-Y159 WeakPolarHBondContact O-CA 3.31Å; I118-Y159 HydrophobicContact CG2-CD1 4.38Å; I118-Y159 HydrophobicContact CG2-CE1 4.22Å; L120-Y159 HydrophobicContact CD2-CD1 3.97Å; L120-Y159 HydrophobicContact CD2-CD2 3.68Å; L120-Y159 HydrophobicContact CD2-CE1 3.83Å; L120-Y159 HydrophobicContact CD2-CE2 3.56Å; L120-Y159 HydrophobicContact CD2-CG 3.89Å; A123-Y159 HydrophobicContact CB-CE2 3.93Å; T137-Y159 CarbonylContact C-O 3.54Å; T137-Y159 WeakPolarHBondContact CA-O 3.25Å; G138-Y159 PolarHBondContact N-O 3.19Å; G138-Y159 PolarHBondContact O-N 3.45Å; G138-Y159 VanDerWaalsContact O-O 3.11Å; L157-Y159 HydrophobicContact CD1-CD1 4.08Å
160K94.6Very high89.5Confident58 Ų5836.9 Ų36.925%0.25221%0.205SC..EExtended strand (participates in β ladder)trans-140.3116.7172.8173.5177.2154.6-115.10108.6E15 H136 T137 L162E15-K160 HydrophobicContact CB-CB 4.21Å; E15-K160 PolarHBondContact N-O 3.49Å; E15-K160 PolarHBondContact O-N 3.06Å; E15-K160 IonicContact OE1-NZ 2.72Å; E15-K160 PolarHBondContact OE1-NZ 3.13Å; E15-K160 IonicContact OE2-NZ 3.12Å; E15-K160 PolarHBondContact OE2-NZ 2.72Å; H136-K160 CarbonylContact O-C 3.58Å; H136-K160 VanDerWaalsContact O-CA 3.32Å; H136-K160 WeakPolarHBondContact O-CA 3.38Å; T137-K160 HydrophobicContact CG2-CB 4.32Å; K160-L162 HydrophobicContact CD-CD1 4.4Å; K160-L162 HydrophobicContact CG-CD1 3.85Å; K160-L162 HydrophobicContact CG-CG 4.32Å
161L93.9Very high88Confident1 Ų138.6 Ų38.61%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-105.5122.7-178.8-176.856.2000108.1S13 L14 F81 L92 A123 M124 I127 A135 H136S13-L161 WeakPolarHBondContact O-CA 3.49Å; L14-L161 HydrophobicContact CB-CD1 4.14Å; L14-L161 HydrophobicContact CD1-CB 4.26Å; L14-L161 HydrophobicContact CD1-CD1 4.29Å; F81-L161 HydrophobicContact CZ-CD1 4.14Å; L92-L161 HydrophobicContact CD1-CD2 4.05Å; A123-L161 HydrophobicContact CB-CD2 4.33Å; M124-L161 HydrophobicContact CG-CD2 4.01Å; M124-L161 HydrophobicContact SD-CD2 3.58Å; M124-L161 VanDerWaalsContact SD-CD2 3.58Å; M124-L161 HydrophobicContact SD-CG 4.45Å; I127-L161 HydrophobicContact CD1-CB 4.1Å; I127-L161 HydrophobicContact CD1-CD2 4.05Å; I127-L161 HydrophobicContact CD1-CG 3.74Å; A135-L161 WeakPolarHBondContact CA-O 3.49Å; H136-L161 PolarHBondContact N-O 3.08Å; H136-L161 PolarHBondContact O-N 2.95Å
162L92.2Very high86.6Confident26 Ų2635 Ų3514%0.13620%0.199CC..EExtended strand (participates in β ladder)trans-117.2126.4-178.5-55.190.7000110.2F12 S13 E15 S134 A135 K160 L164F12-L162 VanDerWaalsContact CA-O 3.27Å; F12-L162 WeakPolarHBondContact CA-O 3.3Å; S13-L162 PolarHBondContact N-O 2.96Å; S13-L162 PolarHBondContact O-N 3.41Å; E15-L162 HydrophobicContact CG-CD1 4.35Å; E15-L162 VanDerWaalsContact OE1-CD1 3.29Å; E15-L162 WeakPolarHBondContact OE1-CD1 3.31Å; S134-L162 WeakPolarHBondContact O-CA 3.45Å; A135-L162 HydrophobicContact CB-CB 4.46Å; A135-L162 HydrophobicContact CB-CD2 4.07Å; A135-L162 HydrophobicContact CB-CG 3.84Å; K160-L162 HydrophobicContact CD-CD1 4.4Å; K160-L162 HydrophobicContact CG-CD1 3.85Å; K160-L162 HydrophobicContact CG-CG 4.32Å; L162-L164 HydrophobicContact CB-CD2 4.3Å; L162-L164 HydrophobicContact CB-CG 4.47Å
163C91.6Very high84.9Confident8 Ų837.2 Ų37.25%0.05421%0.213CC..EExtended strand (participates in β ladder)trans-82.2112.7159.1-1750000108.6F12 I127 P133 S134 G165F12-C163 HydrophobicContact CD1-CB 4.1Å; F12-C163 HydrophobicContact CE1-CB 3.74Å; I127-C163 HydrophobicContact CG2-CB 3.83Å; P133-C163 CarbonylContact C-O 3.59Å; P133-C163 VanDerWaalsContact CA-O 3.24Å; P133-C163 WeakPolarHBondContact CA-O 3.46Å; S134-C163 PolarHBondContact N-O 3.33Å; S134-C163 PolarHBondContact O-N 3.46Å; C163-G165 VanDerWaalsContact C-N 3.34Å
164L88.8Confident82.9Confident40 Ų4045.5 Ų45.521%0.20925%0.252CS..EExtended strand (participates in β ladder)trans-93.31.6176-59.7172.1000112.1L11 F80 L162 L168L11-L164 HydrophobicContact CB-CB 4.2Å; L11-L164 HydrophobicContact CD2-CB 4.21Å; L11-L164 HydrophobicContact CD2-CD1 3.76Å; L11-L164 HydrophobicContact CG-CB 4.38Å; L11-L164 HydrophobicContact CG-CD1 4.13Å; L11-L164 WeakPolarHBondContact O-CA 3.28Å; L11-L164 WeakPolarHBondContact O-CB 3.09Å; L11-L164 PolarHBondContact O-N 3.48Å; F80-L164 HydrophobicContact CD1-CD1 4.1Å; F80-L164 HydrophobicContact CE1-CD1 3.92Å; L162-L164 HydrophobicContact CB-CD2 4.3Å; L162-L164 HydrophobicContact CB-CG 4.47Å; L164-L168 HydrophobicContact CB-CD1 4.04Å; L164-L168 HydrophobicContact CD1-CD1 4.37Å
165G85.5Confident80.7Confident14 Ų1448.7 Ų48.714%0.14429%0.285CS..EExtended strand (participates in β ladder)trans70.4-169.3-179.900000114L11 C163L11-G165 PolarHBondContact N-O 3.47Å; C163-G165 VanDerWaalsContact C-N 3.34Å
166A83.6Confident78.3Confident38 Ų3859 Ų5931%0.31432%0.324SS..SBendtrans-89.9-16.2178.700000113.4P8 L168 L169P8-A166 HydrophobicContact CB-CB 4.07Å; P8-A166 HydrophobicContact CG-CB 4.44Å; A166-L168 VanDerWaalsContact C-N 3.3Å; A166-L168 PolarHBondContact O-N 3.36Å; A166-L169 WeakPolarHBondContact O-CB 3.32Å; A166-L169 PolarHBondContact O-N 2.94Å; A166-L169 VanDerWaalsContact O-N 3.09Å
167S76.8Confident75.7Confident84 Ų8461.7 Ų61.759%0.58735%0.352SS*.THydrogen-bonded Turntrans-64-27.3-172.650.20000114.5P170S167-P170 WeakPolarHBondContact O-CD 3.5Å
168L74.5Confident73.1Confident77 Ų7771.1 Ų71.140%0.40339%0.393SS..THydrogen-bonded Turntrans-83.2-13.5176.8-59.1-171.9000113.7L11 L164 A166 H171 I172L11-L168 HydrophobicContact CD2-CB 3.99Å; L11-L168 HydrophobicContact CD2-CD1 4.19Å; L164-L168 HydrophobicContact CB-CD1 4.04Å; L164-L168 HydrophobicContact CD1-CD1 4.37Å; A166-L168 VanDerWaalsContact C-N 3.3Å; A166-L168 PolarHBondContact O-N 3.36Å; L168-H171 PolarHBondContact O-N 3.41Å; L168-I172 WeakPolarHBondContact O-CG1 3.43Å
169L77.3Confident70.5Confident18 Ų1879 Ų799%0.09443%0.428CS..Hα-helixtrans-65.7-40.3-175-67.4179.6000115.3E9 L11 K82 A166 H171 I172 T173E9-L169 HydrophobicContact CB-CD1 4.12Å; E9-L169 WeakPolarHBondContact O-CD1 3.38Å; L11-L169 HydrophobicContact CB-CD2 3.89Å; L11-L169 HydrophobicContact CB-CG 4.44Å; L11-L169 HydrophobicContact CD1-CD2 4.16Å; K82-L169 HydrophobicContact CD-CD1 4.36Å; K82-L169 HydrophobicContact CD-CD2 3.81Å; K82-L169 HydrophobicContact CG-CD1 4.38Å; K82-L169 HydrophobicContact CG-CD2 3.93Å; A166-L169 WeakPolarHBondContact O-CB 3.32Å; A166-L169 PolarHBondContact O-N 2.94Å; A166-L169 VanDerWaalsContact O-N 3.09Å; L169-H171 PolarHBondContact O-N 2.88Å; L169-I172 PolarHBondContact O-N 2.81Å; L169-T173 PolarHBondContact O-N 2.77Å; L169-T173 PolarHBondContact O-OG1 2.85Å
170P69.9Low67.7Low79 Ų7988.7 Ų88.751%0.51346%0.464SS..Hα-helixtrans-53.1-44.9178.1-27.836.2000112.2S167 I172 T173S167-P170 WeakPolarHBondContact O-CD 3.5Å; P170-I172 PolarHBondContact O-N 2.98Å; P170-T173 PolarHBondContact O-N 2.85Å; P170-T173 PolarHBondContact O-OG1 2.87Å
171H62.9Low64.7Low153 Ų15392 Ų9271%0.70849%0.489SS*.Hα-helixtrans-69-17-180-55.5-62.6000114.2L168 L169L168-H171 PolarHBondContact O-N 3.41Å; L169-H171 PolarHBondContact O-N 2.88Å
172I65.4Low61.9Low53 Ų5397.1 Ų97.127%0.27253%0.525SS..Hα-helixtrans-95-31177.3-64.9167.8000110.9L11 L168 L169 P170 E174 Y255L11-I172 HydrophobicContact CD1-CD1 4.01Å; L11-I172 HydrophobicContact CD2-CD1 3.48Å; L11-I172 VanDerWaalsContact CD2-CD1 3.48Å; L11-I172 HydrophobicContact CG-CD1 4.37Å; L168-I172 WeakPolarHBondContact O-CG1 3.43Å; L169-I172 PolarHBondContact O-N 2.81Å; P170-I172 PolarHBondContact O-N 2.98Å; I172-E174 VanDerWaalsContact C-N 3.28Å; I172-E174 PolarHBondContact O-N 3.31Å; I172-Y255 HydrophobicContact CG2-CD1 4.33Å; I172-Y255 HydrophobicContact CG2-CE1 3.68Å; I172-Y255 HydrophobicContact CG2-CE2 4.38Å
173T57.9Low59Low63 Ų63101.9 Ų101.939%0.38756%0.555SS.*Hα-helixtrans-73.2-12.9-176.245.50000115.5L169 P170 G175 R176L169-T173 PolarHBondContact O-N 2.77Å; L169-T173 PolarHBondContact O-OG1 2.85Å; P170-T173 PolarHBondContact O-N 2.85Å; P170-T173 PolarHBondContact O-OG1 2.87Å; T173-G175 PolarHBondContact O-N 2.98Å; T173-G175 VanDerWaalsContact O-N 3.15Å; T173-R176 PolarHBondContact O-N 3Å
174E51.7Low56.4Low176 Ų176107.9 Ų107.982%0.82259%0.594SS**THydrogen-bonded Turntrans-70.2-8.6-176-154.4163-139.300113.8I172 R176I172-E174 VanDerWaalsContact C-N 3.28Å; I172-E174 PolarHBondContact O-N 3.31Å; E174-R176 PolarHBondContact O-N 3.34Å
175G49Very low53.6Low73 Ų73109.9 Ų109.975%0.75362%0.624SS**THydrogen-bonded Turntrans-70.9-2.7171.200000115.6T173 G177T173-G175 PolarHBondContact O-N 2.98Å; T173-G175 VanDerWaalsContact O-N 3.15Å; G175-G177 VanDerWaalsContact C-N 3.31Å; G175-G177 PolarHBondContact O-N 2.83Å
176R46.1Very low51Low218 Ų218112.6 Ų112.682%0.82365%0.652SS**SBendtrans-75.785.3175.6-146.9-172-55.4-114.48.3109.2T173 E174T173-R176 PolarHBondContact O-N 3Å; E174-R176 PolarHBondContact O-N 3.34Å
177G41.9Very low48.6Very low60 Ų60119.6 Ų119.662%0.61968%0.678SS**  trans-62.1154.8-161.400000116.3G175 E179G175-G177 VanDerWaalsContact C-N 3.31Å; G175-G177 PolarHBondContact O-N 2.83Å; G177-E179 PolarHBondContact O-N 3.02Å
178F41.6Very low46.4Very low205 Ų205124 Ų12490%0.89969%0.689SS**  trans-2.6104.4171.8-75-94.9000115.4R180F178-R180 PolarHBondContact O-N 3.48Å
179E39.5Very low44.5Very low187 Ų187127.7 Ų127.787%0.87470%0.702SS**  trans-57.7108.2158.4-72.7-158.2146.400108.6G177 T181G177-E179 PolarHBondContact O-N 3.02Å; E179-T181 PolarHBondContact O-N 3.05Å
180R36.6Very low42.4Very low232 Ų232133 Ų13388%0.87573%0.726SS**  trans-64.4108163.9-68.1-179.5-179.9177.10.9106.2F178 S182F178-R180 PolarHBondContact O-N 3.48Å; R180-S182 VanDerWaalsContact C-N 3.35Å; R180-S182 PolarHBondContact O-N 2.9Å
181T32Very low40.4Very low128 Ų128136.3 Ų136.379%0.78574%0.735SS**  trans-52.494.8179.351.90000110.7E179 T183E179-T181 PolarHBondContact O-N 3.05Å; T181-T183 VanDerWaalsContact C-N 3.34Å; T181-T183 PolarHBondContact O-N 2.86Å
182S34.3Very low38.7Very low107 Ų107138.1 Ų138.175%0.74874%0.741SS**  trans-79.284.9-176.755.70000109R180 P184R180-S182 VanDerWaalsContact C-N 3.35Å; R180-S182 PolarHBondContact O-N 2.9Å; S182-P184 WeakPolarHBondContact O-CD 3.45Å
183T32.9Very low37.1Very low127 Ų127143.9 Ų143.978%0.77976%0.764SS**  trans-55.3116.8-178.8490000111.9T181T181-T183 VanDerWaalsContact C-N 3.34Å; T181-T183 PolarHBondContact O-N 2.86Å
184P36.4Very low35.6Very low134 Ų134147.6 Ų147.687%0.8778%0.777SS**  trans-82122.7165.8-2.822.5000108.8S182S182-P184 WeakPolarHBondContact O-CD 3.45Å
185G29.2Very low34.5Very low81 Ų81147.5 Ų147.584%0.83577%0.774SS**  trans-144.3135.8168.600000109.2
186G31.6Very low33.5Very low71 Ų71151.2 Ų151.273%0.73277%0.774SS**  cis-162.4-149.5-6.300000107.5
187Q34Very low32.8Very low186 Ų186149.9 Ų149.987%0.86977%0.773SS**  cis-151.7144.5-8.4-64.1178.9-7.400106.4
188H30.2Very low32.3Very low176 Ų176153 Ų15382%0.81579%0.786SS**  trans-159139.5135.7-127.4-103.7000112.7
189K34.3Very low31.7Very low154 Ų154146.8 Ų146.867%0.6778%0.78SS**  trans-24.6151.8167.5-71.9159.1159.5-100.60117
190E32.7Very low31Very low130 Ų130143 Ų14361%0.60777%0.774SS**  cis-163.9165.817-131.9154.6-141.600116.8
191H27.3Very low30.6Very low149 Ų149139.6 Ų139.669%0.6977%0.77SS**  trans85.5128.2145.4-96-68.4000124.7
192F28.5Very low30.3Very low191 Ų191138.2 Ų138.284%0.83876%0.764SS**  trans95152.6158-85.9-82.4000122.7
193K30.6Very low30.4Very low173 Ų173138 Ų13875%0.75276%0.763SS**  trans-101.8131.4-154.2-87.3-178178.1-178.30112.2
194E27.2Very low30.6Very low142 Ų142137.8 Ų137.866%0.66476%0.764SS**  74.697.978.4-167.4-141.7154.800114.8
195K28.6Very low30.2Very low174 Ų174137 Ų13776%0.75776%0.756SS**  -173.9113.8124.1-106169-176173.60116.7
196M28.6Very low30.2Very low151 Ų151136.6 Ų136.674%0.74475%0.752SS**  trans60.2135.3130.5-82.3-161.2172.500124.8
197K30.5Very low30.1Very low189 Ų189139.3 Ų139.382%0.82275%0.75SS**  trans83.698.8141.1-74.2169.8178.1178.30119.7
198S32Very low30Very low127 Ų127139 Ų13989%0.88875%0.746SS**  trans-84.7168.3141.157.10000111.5
199G28.9Very low29.9Very low74 Ų74136.1 Ų136.176%0.76375%0.745SS**  trans109.2145.6-177.500000112.4
200S25Very low29.6Very low108 Ų108137.2 Ų137.276%0.75575%0.753SS**  cis-163.9153.51.7-165.50000111.8
201M27.4Very low29.4Very low159 Ų159141.4 Ų141.478%0.78377%0.77SS**  trans59.5111.4155.4-67.2-97.311900121.2
202C25.9Very low29.5Very low99 Ų99138.4 Ų138.467%0.66977%0.765SS**  72.6137.7120.9-60.30000124.4
203S36.8Very low29.7Very low102 Ų102137.3 Ų137.371%0.71377%0.766SS**  trans74.4137.7150.2-54.50000118.8
204P36.1Very low29.8Very low123 Ų123137 Ų13780%0.79977%0.767SS**  -109.5142.99233.2-35.6000112.2
205T28.6Very low30.2Very low117 Ų117135.6 Ų135.672%0.71877%0.773SS**  72.597.752.4-51.30000112.1
206G29.9Very low30.5Very low73 Ų73134.4 Ų134.475%0.75378%0.775SS**  trans-80.2158.4178.700000114.5
207N28.9Very low30.6Very low128 Ų128135.2 Ų135.268%0.68478%0.782SS**  trans-141.8119.1168.9-80.8-67.4000107.4
208K31.6Very low30.8Very low181 Ų181130.8 Ų130.879%0.78778%0.781SS**  79.2101.888.8-73.5-174.5-178.5-1740115.8
209S29.6Very low30.9Very low114 Ų114128.1 Ų128.180%0.79777%0.774SS**  -174.7122.5123.422.80000105.8
210E27.2Very low31.1Very low177 Ų177131.5 Ų131.583%0.82777%0.774SS**  54.899.861.4-69.4-170.313400113.5
211F29Very low32Very low219 Ų219132 Ų13296%0.96178%0.778SS**  -142.9149.9124.9-113.6-78.8000110.3
212S28.7Very low32.3Very low85 Ų85133.3 Ų133.359%0.59478%0.779SS**  trans-102.2157-174.9175.50000111.5
213I33.5Very low32.7Very low168 Ų168136 Ų13686%0.86279%0.785SS**  trans-153.9148.7138.9-103148.5000109.7
214H31.2Very low32.5Very low166 Ų166138.1 Ų138.177%0.76979%0.788SS**  trans-85152.6-175.7-68.9-98.3000113.7
215S36.3Very low32.4Very low114 Ų114139.2 Ų139.280%0.79779%0.786SS**  trans-156.8120.5132.657.70000111.3
216N34.3Very low32.4Very low149 Ų149140.2 Ų140.280%0.79779%0.787SS**  trans-85.9152154-51.9-41.1000107.4
217D31.9Very low32.8Very low167 Ų167143.1 Ų143.189%0.89379%0.785SS**  179.5-17597.2-150-10.5000110.8
218A34.1Very low33.3Very low97 Ų97148.1 Ų148.180%0.80280%0.796SS**  trans-98.2176.8-165.500000116.6
219G33.7Very low33.5Very low70 Ų70147.9 Ų147.972%0.72280%0.795SS**  trans136.381.4-179.700000110
220D34.2Very low33.8Very low146 Ų146149.9 Ų149.978%0.78179%0.792SS**  65.397.458.2-164.925.3000114.4
221S42.8Very low33.9Very low119 Ų119149.5 Ų149.583%0.83280%0.796SS**  trans-159.6136.4152.349.10000110.6
222K35.2Very low34Very low185 Ų185145.8 Ų145.880%0.80479%0.786SS**  trans-98.6159.3176.8-56.8164.3-174.9164.80110.1
223I34.2Very low34.3Very low156 Ų156147.9 Ų147.980%0.880%0.799SS**  trans-173.4109.9142.5-97.4146.5000105.8
224L31.4Very low34.3Very low146 Ų146144.7 Ų144.776%0.76480%0.798SS**  48.7110.4106.4-65.6168.8000113.1
225L34Very low34.4Very low147 Ų147146 Ų14677%0.7780%0.804SS**  71.6105.551.4-167.4153000112.5
226D29.4Very low34.2Very low137 Ų137144 Ų14473%0.73380%0.802SS**  -157.6163.1120.1-138-23.9000112.5
227D38.1Very low34.1Very low134 Ų134145.4 Ų145.472%0.71780%0.804SS**  trans-82.5154178.2-78.6-41.2000112.7
228Y39Very low34.1Very low234 Ų234143.1 Ų143.192%0.91880%0.796SS**  trans-148.9159.1138.2-80.9-55000111.7
229K36Very low34Very low175 Ų175145.6 Ų145.676%0.76180%0.796SS**  trans-103.2162.1-166.1-87170.4150.4-96.90114.3
230E35.4Very low33.9Very low157 Ų157148.9 Ų148.973%0.73480%0.797SS**  trans10.6125.1142.2-58.7163.6115.900117.8
231D28.8Very low34Very low168 Ų168148.1 Ų148.190%0.89880%0.798SS**  -147.2164.4116.6-139.7-26.3000111.4
232D31.7Very low34Very low141 Ų141150.2 Ų150.275%0.75480%0.798SS**  trans-105138.5-165.1-169.913.9000113.3
233C34.1Very low34.3Very low129 Ų129149.5 Ų149.587%0.87280%0.797SS**  trans-157.5136.3166.2-101.90000111.5
234A34.9Very low34.8Very low102 Ų102151 Ų15184%0.84380%0.801SS**  trans-104.7131.1-168.800000113.5
235E32.2Very low35.3Very low192 Ų192151 Ų15190%0.89780%0.802SS**  trans-110.8136.5163.5-70.6-162.213500111.7Q237E235-Q237 PolarHBondContact O-N 3.11Å
236G32Very low35.8Very low73 Ų73152.4 Ų152.475%0.75381%0.809SS**  trans-84.9104-17500000113T238G236-T238 PolarHBondContact O-N 2.98Å
237Q32.8Very low36.3Very low178 Ų178149.7 Ų149.783%0.83281%0.806SS**  trans-67.2104.3173.3-71.6-174.8-13.500112E235 N239E235-Q237 PolarHBondContact O-N 3.11Å; Q237-N239 PolarHBondContact O-N 3.39Å; Q237-N239 PolarHBondContact O-ND2 2.96Å
238T32.8Very low36.4Very low120 Ų120147.5 Ų147.574%0.73681%0.807SS**  trans-71.2116.5165.842.90000109.7G236 N240G236-T238 PolarHBondContact O-N 2.98Å; T238-N240 PolarHBondContact O-N 3.36Å
239N30.6Very low36.1Very low149 Ų149145.6 Ų145.680%0.79780%0.803SS**  trans-7785-177.9-66.2-87.8000110.6Q237 T241Q237-N239 PolarHBondContact O-N 3.39Å; Q237-N239 PolarHBondContact O-ND2 2.96Å; N239-T241 PolarHBondContact O-N 3.49Å
240N32.4Very low35.9Very low138 Ų138142 Ų14274%0.73880%0.799SS**  trans-83.799168.7-78.6-19.9000109.9T238 I242T238-N240 PolarHBondContact O-N 3.36Å; N240-I242 PolarHBondContact O-N 2.85Å
241T36.4Very low36.3Very low130 Ų130139.1 Ų139.180%0.79879%0.794SS**  trans-62.5103.5174-53.90000110.6N239N239-T241 PolarHBondContact O-N 3.49Å
242I42.3Very low36.6Very low163 Ų163136.2 Ų136.284%0.83678%0.784SS**  trans-115.189.9167.6-56.3178000107.2N240N240-I242 PolarHBondContact O-N 2.85Å
243E41.5Very low37.1Very low171 Ų171134.9 Ų134.980%0.79977%0.773SS**  trans-144.3150.1174.7-147.5167.8-153.600108.4
244E43.9Very low37.4Very low186 Ų186134.5 Ų134.587%0.86976%0.762SS**SBendtrans61.966.4173.3-53-164.9136.100119.1
245D43.3Very low37.7Very low148 Ų148135.3 Ų135.379%0.79174%0.744SS**  trans-149.822.1143.5-141.96000115
246L43.9Very low38.1Very low175 Ų175131.8 Ų131.892%0.91672%0.723SS**  trans-89.216.3167.3-75177.4000112.7A248L246-A248 PolarHBondContact O-N 2.83Å
247A40.4Very low38.3Very low80 Ų80131.7 Ų131.766%0.66171%0.71SS**  trans-73.480.6168.200000109F249A247-F249 VanDerWaalsContact C-N 3.26Å; A247-F249 PolarHBondContact O-N 3.27Å
248A40.3Very low38.5Very low89 Ų89129.4 Ų129.474%0.73670%0.704SS**  trans-6186.8176.300000110.4L246 C250L246-A248 PolarHBondContact O-N 2.83Å; A248-C250 PolarHBondContact O-N 2.78Å
249F32.3Very low38.8Very low193 Ų193128.9 Ų128.985%0.84670%0.701SS**  trans-76.871.7-177.9-154.9-78.8000109A247 P251A247-F249 VanDerWaalsContact C-N 3.26Å; A247-F249 PolarHBondContact O-N 3.27Å; F249-P251 VanDerWaalsContact O-CD 3.25Å; F249-P251 WeakPolarHBondContact O-CD 3.48Å
250C32.3Very low39Very low100 Ų100125.6 Ų125.668%0.67669%0.694SS**  trans-54114.9171.8-79.50000108.4A248A248-C250 PolarHBondContact O-N 2.78Å
251P43.2Very low39.3Very low97 Ų97126.8 Ų126.863%0.6370%0.695SS**  trans-62.3144.5170.728.5-33.4000108F249 H253F249-P251 VanDerWaalsContact O-CD 3.25Å; F249-P251 WeakPolarHBondContact O-CD 3.48Å; P251-H253 PolarHBondContact O-N 2.83Å
252P35.7Very low39.2Very low106 Ų106125 Ų12569%0.68869%0.693SS**  trans-56.7135.5177.124.6-33.9000109.6L254P252-L254 PolarHBondContact O-N 3Å
253H41.2Very low39Very low114 Ų114125.8 Ų125.853%0.52869%0.691SS.*  trans-59.9113-176.9-73.3-142.4000109.6P251 Y255P251-H253 PolarHBondContact O-N 2.83Å; H253-Y255 VanDerWaalsContact C-N 3.27Å; H253-Y255 HydrophobicContact CB-CD2 3.92Å; H253-Y255 HydrophobicContact CB-CE1 4.27Å; H253-Y255 HydrophobicContact CB-CE2 3.37Å; H253-Y255 AromaticContact ND1-CZ 3.76Å; H253-Y255 PolarHBondContact ND1-OH 3.49Å; H253-Y255 VanDerWaalsContact ND1-OH 3.11Å; H253-Y255 WeakPolarHBondContact O-CD2 3.37Å; H253-Y255 PolarHBondContact O-N 3.1Å
254L41.6Very low38.9Very low121 Ų121123.1 Ų123.163%0.63469%0.691SS**  trans-79.276-178.6-69.2176.6000110.6P252 Y256P252-L254 PolarHBondContact O-N 3Å; L254-Y256 HydrophobicContact CB-CD2 4.27Å; L254-Y256 HydrophobicContact CB-CE2 3.73Å; L254-Y256 HydrophobicContact CD1-CE2 4.43Å; L254-Y256 VanDerWaalsContact O-CD2 3.32Å; L254-Y256 WeakPolarHBondContact O-CD2 3.28Å; L254-Y256 PolarHBondContact O-N 2.9Å; L254-Y256 VanDerWaalsContact O-N 3.1Å
255Y40.8Very low38.2Very low119 Ų119117.4 Ų117.447%0.46768%0.683SS.*  trans-71.498.7175.2-63.3-67000111.3I172 H253I172-Y255 HydrophobicContact CG2-CD1 4.33Å; I172-Y255 HydrophobicContact CG2-CE1 3.68Å; I172-Y255 HydrophobicContact CG2-CE2 4.38Å; H253-Y255 VanDerWaalsContact C-N 3.27Å; H253-Y255 HydrophobicContact CB-CD2 3.92Å; H253-Y255 HydrophobicContact CB-CE1 4.27Å; H253-Y255 HydrophobicContact CB-CE2 3.37Å; H253-Y255 AromaticContact ND1-CZ 3.76Å; H253-Y255 PolarHBondContact ND1-OH 3.49Å; H253-Y255 VanDerWaalsContact ND1-OH 3.11Å; H253-Y255 WeakPolarHBondContact O-CD2 3.37Å; H253-Y255 PolarHBondContact O-N 3.1Å
256Y40.5Very low38Very low117 Ų117117.7 Ų117.746%0.45968%0.684SS.*  trans-92.4112.2167.6-66.8-80.8000109.9P43 L254P43-Y256 HydrophobicContact CG-CD2 4.2Å; P43-Y256 HydrophobicContact CG-CE1 4.33Å; P43-Y256 HydrophobicContact CG-CE2 3.48Å; P43-Y256 VanDerWaalsContact CG-CE2 3.48Å; L254-Y256 HydrophobicContact CB-CD2 4.27Å; L254-Y256 HydrophobicContact CB-CE2 3.73Å; L254-Y256 HydrophobicContact CD1-CE2 4.43Å; L254-Y256 VanDerWaalsContact O-CD2 3.32Å; L254-Y256 WeakPolarHBondContact O-CD2 3.28Å; L254-Y256 PolarHBondContact O-N 2.9Å; L254-Y256 VanDerWaalsContact O-N 3.1Å
257C36.9Very low37.4Very low71 Ų71117.9 Ų117.948%0.4868%0.68SS.*  trans-104.2109.4171.7-63.10000108.9T259C257-T259 PolarHBondContact O-N 3.11Å
258N36.5Very low37.4Very low131 Ų131121.7 Ų121.770%0.70169%0.689SS**  trans-86.577.4174.5-171.65.8000110.8A260N258-A260 VanDerWaalsContact C-N 3.27Å; N258-A260 PolarHBondContact O-N 2.93Å
259T38.6Very low37.1Very low109 Ų109124.3 Ų124.367%0.66969%0.686SS**  trans-9059.6173.260.10000111C257 Q261C257-T259 PolarHBondContact O-N 3.11Å; T259-Q261 PolarHBondContact O-N 3.04Å
260A35.3Very low37.2Very low80 Ų80123 Ų12366%0.66169%0.689SS**  trans-67.498.3168.700000109.2N258 A262N258-A260 VanDerWaalsContact C-N 3.27Å; N258-A260 PolarHBondContact O-N 2.93Å; A260-A262 PolarHBondContact O-N 3.15Å
261Q37.6Very low37.3Very low162 Ų162127.9 Ų127.976%0.75769%0.694SS**  trans-67.295.6-178.4-176.4-179.962.800110.5T259 K263T259-Q261 PolarHBondContact O-N 3.04Å; Q261-K263 PolarHBondContact O-N 3.32Å
262A35.9Very low36.6Very low92 Ų92134.6 Ų134.676%0.7671%0.707SS**  trans-61.6105.4171.400000109.5A260 S264A260-A262 PolarHBondContact O-N 3.15Å; A262-S264 PolarHBondContact O-N 2.91Å
263K36.8Very low36.4Very low180 Ų180137.3 Ų137.378%0.78372%0.715SS**  trans-75.7102.5175.3-71.7-178.8178177.70109.1Q261 G265Q261-K263 PolarHBondContact O-N 3.32Å; K263-G265 VanDerWaalsContact C-N 3.25Å; K263-G265 PolarHBondContact O-N 3.07Å
264S39.8Very low36Very low115 Ų115139.3 Ų139.380%0.80473%0.729SS**  trans-68.879.717039.20000111.2A262A262-S264 PolarHBondContact O-N 2.91Å
265G29.5Very low35.5Very low67 Ų67140 Ų14069%0.69173%0.733SS**  trans-79.4113163.200000109.8K263 E267K263-G265 VanDerWaalsContact C-N 3.25Å; K263-G265 PolarHBondContact O-N 3.07Å; G265-E267 PolarHBondContact O-N 3.12Å
266N37.9Very low35.2Very low153 Ų153141.8 Ų141.882%0.81875%0.75SS**  trans-74.4103.9172.5-81.1-3.3000110.3
267E32.5Very low34.6Very low179 Ų179143 Ų14384%0.83676%0.764SS**  trans-127.6114.4156.9-69-164.4148.300109.4G265 Q269G265-E267 PolarHBondContact O-N 3.12Å; E267-Q269 PolarHBondContact O-N 3.42Å
268N39.3Very low34.5Very low160 Ų160146.2 Ų146.286%0.85678%0.782SS**  trans-77.9116176.9-68.6-15.5000109.6
269Q34.4Very low34.2Very low144 Ų144148 Ų14867%0.67379%0.786SS**  trans-139.2127.9157.9-66.7-166.415.200110.3E267 Y271E267-Q269 PolarHBondContact O-N 3.42Å; Q269-Y271 HydrophobicContact CB-CD2 4.49Å; Q269-Y271 HydrophobicContact CB-CE2 4.17Å; Q269-Y271 PolarHBondContact O-N 3.23Å
270D36.1Very low33.9Very low167 Ų167148.8 Ų148.889%0.89379%0.79SS**  trans-71.6118.4-178.6-60.6-77000111.8
271Y33.3Very low33.5Very low201 Ų201153.8 Ų153.879%0.78880%0.798SS**  trans-120.8121.7165.3-80-87.7000110.2Q269Q269-Y271 HydrophobicContact CB-CD2 4.49Å; Q269-Y271 HydrophobicContact CB-CE2 4.17Å; Q269-Y271 PolarHBondContact O-N 3.23Å
272R29Very low33.1Very low238 Ų238152 Ų15290%0.89880%0.798SS**  trans-69.8138.4-175.8-72.8-179.4170.4-174-3.9111.4L274R272-L274 PolarHBondContact O-N 3.12Å
273L31.4Very low32.7Very low163 Ų163157 Ų15785%0.85380%0.803SS**  trans-57130.4159.6-71.3161.6000109.8
274L33.3Very low32.6Very low157 Ų157157.6 Ų157.682%0.82281%0.808SS**  trans-114.6115.3158-76.7173.6000107.1R272R272-L274 PolarHBondContact O-N 3.12Å
275N30.1Very low32.2Very low136 Ų136159.2 Ų159.273%0.72781%0.808SS**  trans-66.8133.8163.8-65.4-0.4000107.8
276L35.4Very low32.4Very low155 Ų155162 Ų16281%0.81282%0.817SS**  trans-109.9122.5152.1-95.972.7000106.4
277D27.3Very low32Very low142 Ų142162.8 Ų162.876%0.75982%0.819SS**  trans-71.8139.8176.8-70.1-66.2000111.1E279D277-E279 PolarHBondContact O-N 3.44Å
278T34.8Very low31.8Very low139 Ų139158.1 Ų158.185%0.85382%0.819SS**  trans-87.180.6177.6-51.80000109.7
279E30Very low31.3Very low169 Ų169153.7 Ų153.779%0.7981%0.811SS**  trans-68.5142.4173.1-71-162.4144.600112.1D277D277-E279 PolarHBondContact O-N 3.44Å
280V32.3Very low31.3Very low126 Ų126154.3 Ų154.376%0.76482%0.819SS**  trans-87.3113.7-169.7177.30000110.7T282V280-T282 HydrophobicContact CG1-CG2 4.42Å; V280-T282 PolarHBondContact O-N 3.42Å
281F27.6Very low31.2Very low185 Ų185154.6 Ų154.681%0.81182%0.815SS**  trans-81.295.8169.9-83.5-85.7000111.6
282T27.9Very low31.2Very low125 Ų125151.2 Ų151.277%0.76781%0.807SS**  trans-75.1120.8160.448.20000109.9V280V280-T282 HydrophobicContact CG1-CG2 4.42Å; V280-T282 PolarHBondContact O-N 3.42Å
283F29.2Very low31.3Very low197 Ų197147 Ų14786%0.86480%0.797SS**  trans-90.9133.6165.3-97.7-97.1000109.8
284E33Very low31.3Very low191 Ų191146 Ų14689%0.89379%0.786SS**  trans-137.4130.5170.6-169.2163.5-142.500108.2
285D33.1Very low31.3Very low149 Ų149147.6 Ų147.680%0.79779%0.786SS**  trans-76.9144-173.7-86.2-46.6000112.5
286S32.7Very low31.1Very low125 Ų125151.2 Ų151.287%0.87479%0.789SS**  trans-158.2141.9155.2-84.30000112.1
287I29.1Very low30.8Very low171 Ų171148.5 Ų148.588%0.87778%0.779SS**  trans-126.2136.8-174.2-64.3174.6000109.7
288G28.9Very low30.7Very low80 Ų80150.7 Ų150.783%0.82579%0.785SS**  trans86.2159.7175.400000114.3
289G29.5Very low30.4Very low68 Ų68146.8 Ų146.870%0.70177%0.772SS**  cis176.6155.2-5.100000112
290D32.3Very low30.5Very low157 Ų157144.5 Ų144.584%0.8478%0.775SS**  trans53.2104.1157.2-56.1-7.8000121.9
291E34Very low30.5Very low173 Ų173144.7 Ų144.781%0.80878%0.776SS**  72.4156.1117.1-77.7-68.4-17400126.7
292E33.7Very low30.9Very low130 Ų130140.1 Ų140.161%0.60777%0.767SS**  trans49.994.4156.1-80.8-136.596.800123.4K294E292-K294 IonicContact OE1-NZ 3.94Å; E292-K294 PolarHBondContact OE1-NZ 2.91Å; E292-K294 VanDerWaalsContact OE1-NZ 3.15Å
293H30.6Very low31.1Very low149 Ų149142.7 Ų142.769%0.6977%0.767SS**  75.9145.6105.4-89.6-0.7000125
294K33.1Very low31.1Very low142 Ų142139.6 Ų139.662%0.61776%0.764SS**  trans71.1106.8150.7-66.8153.8-165.4145.60117.8E292E292-K294 IonicContact OE1-NZ 3.94Å; E292-K294 PolarHBondContact OE1-NZ 2.91Å; E292-K294 VanDerWaalsContact OE1-NZ 3.15Å
295K31.9Very low31.1Very low190 Ų190135.7 Ų135.783%0.82675%0.753SS**  86.1152.590.5-80.1-177.3-177179.80113.6
296R26.4Very low31Very low212 Ų212136.4 Ų136.480%0.875%0.752SS**  cis175.1159.2-21.4-166.7-170-167.8-126.19106.4
297V28.9Very low31Very low98 Ų98137 Ų13759%0.59474%0.741SS**  trans74.7142.3166.6-168.60000113.1
298E26.7Very low31.1Very low189 Ų189137.1 Ų137.188%0.88374%0.735SS**  cis-145.3164.4-1.5-130.4136.1-143.500108
299G27.3Very low31.1Very low56 Ų56140.2 Ų140.258%0.57773%0.729SS**  cis161.5143-9.200000113.6
300S33.2Very low31.3Very low122 Ų122140.6 Ų140.685%0.85372%0.721SS**  trans64.5157.9166.375.90000117.6
301V31.3Very low31.6Very low130 Ų130140.5 Ų140.579%0.78872%0.716SS**  cis-148.7145.717.5177.50000106.5
302S35.1Very low31.5Very low89 Ų89136.4 Ų136.462%0.62271%0.711SS**  cis-151.5-140.7044.20000107.3
303K33Very low31.3Very low179 Ų179135.9 Ų135.978%0.77872%0.717SS**  cis-158.9124.91.8-127.4159.1-169.2176.80105.6
304V28.7Very low31.4Very low131 Ų131138.2 Ų138.279%0.79473%0.725SS**  61.2128.786.91790000115.7
305V34.5Very low31.4Very low110 Ų110137.8 Ų137.867%0.66774%0.735SS**  cis177147-35.6134.70000111.2
306H30.9Very low31.8Very low164 Ų164134.7 Ų134.776%0.75973%0.734SS**  trans70.3158159.9-79.9-8.7000120.5
307Q32.8Very low31.8Very low138 Ų138129.4 Ų129.465%0.64573%0.729SS**  cis-173.3169.1-9.7164.9-176105.200112.1
308K30.4Very low32.1Very low173 Ų173133.4 Ų133.475%0.75274%0.741SS**  trans81.4153.5167.5-92.6166.4178173.80116.6
309M28.8Very low32.5Very low144 Ų144133.2 Ų133.271%0.70974%0.74SS**  cis-138.7167.421.3-167.362174.600114.2
310S33.8Very low32.8Very low77 Ų77139 Ų13954%0.53875%0.752SS.*  trans-84.4172.8-178.651.60000114.3
311H37.9Very low32.9Very low155 Ų155138.8 Ų138.872%0.71875%0.746SS**  -157.8129.960.7-72-86.8000111.7
312A31.5Very low33.5Very low87 Ų87136.9 Ų136.972%0.71974%0.738SS**  75.3128.487.200000115.2
313T31.2Very low33.9Very low118 Ų118136.9 Ų136.972%0.72473%0.731SS**  -160.7121.579-66.90000114.7
314K31.9Very low34.6Very low199 Ų199134.2 Ų134.287%0.86573%0.726SS**  trans64.9113.3153.9-64.8169.9-171.9176.20121.9
315T33.3Very low35.8Very low133 Ų133132.9 Ų132.982%0.81672%0.718SS**  trans-84.5169145.453.10000110.2
316P41.2Very low36.8Very low125 Ų125131 Ų13181%0.81270%0.704SS**  -130.8-179.573.211.114000112.5
317S26.3Very low38.5Very low100 Ų100128.5 Ų128.570%0.69970%0.695SS**  cis-163.8163.5-19.1175.90000108.1
318H33.9Very low39.8Very low182 Ų182127.4 Ų127.484%0.84369%0.693SS**  trans-21128172.1-68.9-101.8000118.1
319Q35.1Very low41.5Very low186 Ų186126.9 Ų126.987%0.86969%0.686SS**  -149.6156.6128.6-150.61583.200110.5
320E35.1Very low43.5Very low177 Ų177125.5 Ų125.583%0.82768%0.678SS**  trans-85.9122.9-172.5-63.4158128.700110.8S322E320-S322 VanDerWaalsContact C-N 3.34Å; E320-S322 PolarHBondContact O-N 2.91Å
321T33.6Very low45.1Very low118 Ų118124.2 Ų124.272%0.72467%0.672SS**  trans-77.879.8-178.351.70000112
322S43.8Very low46.4Very low89 Ų89120.6 Ų120.662%0.62266%0.658SS**  trans-81.4-0.2170.7-172.60000113.2E320E320-S322 VanDerWaalsContact C-N 3.34Å; E320-S322 PolarHBondContact O-N 2.91Å
323D44.8Very low48Very low89 Ų89121.6 Ų121.648%0.47665%0.648SS.*  trans-92.4-15.4-159.1-56.2-64.2000115.7T325 N326 I327D323-T325 PolarHBondContact O-N 3.44Å; D323-T325 VanDerWaalsContact O-N 3.12Å; D323-N326 WeakPolarHBondContact O-CB 3.32Å; D323-N326 PolarHBondContact O-N 3.11Å; D323-I327 PolarHBondContact O-N 3.32Å
324N47.3Very low50.2Low123 Ų123123.1 Ų123.166%0.65865%0.646SS**Hα-helixtrans-63.6-23-173.8-71.92.3000113.6
325T53.1Low52.6Low103 Ų103117.9 Ų117.963%0.63263%0.627SS**Hα-helixtrans-77.8-27.6173.849.90000112.9D323 R329D323-T325 PolarHBondContact O-N 3.44Å; D323-T325 VanDerWaalsContact O-N 3.12Å; T325-R329 WeakPolarHBondContact O-CB 3.32Å; T325-R329 PolarHBondContact O-N 3.4Å
326N56.2Low54.7Low71 Ų71116.5 Ų116.538%0.3862%0.621SS.*Hα-helixtrans-71.7-42.9179-66.4-39.1000111D323 L328 R329 E330D323-N326 WeakPolarHBondContact O-CB 3.32Å; D323-N326 PolarHBondContact O-N 3.11Å; N326-L328 PolarHBondContact O-N 3.28Å; N326-R329 WeakPolarHBondContact O-CB 3.43Å; N326-R329 PolarHBondContact O-N 3.28Å; N326-R329 VanDerWaalsContact O-N 3.08Å; N326-E330 WeakPolarHBondContact O-CG 3.43Å; N326-E330 PolarHBondContact O-N 3.21Å
327I65.6Low56.4Low111 Ų111117.8 Ų117.857%0.56962%0.62SS**Hα-helixtrans-59.8-44.4179.4-58.1171.9000111.2D323 R329 E330 A331D323-I327 PolarHBondContact O-N 3.32Å; I327-R329 VanDerWaalsContact C-N 3.33Å; I327-R329 PolarHBondContact O-N 3.09Å; I327-E330 PolarHBondContact O-N 3.33Å; I327-A331 WeakPolarHBondContact O-CB 2.95Å; I327-A331 PolarHBondContact O-N 3.46Å
328L61.3Low58.8Low115 Ų115116.2 Ų116.260%0.60260%0.604SS**Hα-helixtrans-64.6-38.7175.9-178.162.6000111.7N326 A331 L332N326-L328 PolarHBondContact O-N 3.28Å; L328-A331 PolarHBondContact O-N 3.16Å; L328-L332 HydrophobicContact CG-CD1 4.26Å; L328-L332 VanDerWaalsContact O-CG 3.29Å; L328-L332 WeakPolarHBondContact O-CG 3.35Å; L328-L332 PolarHBondContact O-N 2.82Å
329R66.7Low61Low162 Ų162110.9 Ų110.961%0.61158%0.581SS**Hα-helixtrans-67-40.7178-169.2-178.6-172.8-150.62.3112.1T325 N326 I327 L332 Q333T325-R329 WeakPolarHBondContact O-CB 3.32Å; T325-R329 PolarHBondContact O-N 3.4Å; N326-R329 WeakPolarHBondContact O-CB 3.43Å; N326-R329 PolarHBondContact O-N 3.28Å; N326-R329 VanDerWaalsContact O-N 3.08Å; I327-R329 VanDerWaalsContact C-N 3.33Å; I327-R329 PolarHBondContact O-N 3.09Å; R329-L332 PolarHBondContact O-N 3.48Å; R329-Q333 WeakPolarHBondContact O-CB 3.08Å; R329-Q333 WeakPolarHBondContact O-CG 3.41Å; R329-Q333 PolarHBondContact O-N 3.24Å
330E69.8Low63.3Low115 Ų115104.4 Ų104.454%0.53756%0.559SS.*Hα-helixtrans-67.5-41.7174.8-72.6-177.916700111.6N326 I327 L332 Q333 Q334N326-E330 WeakPolarHBondContact O-CG 3.43Å; N326-E330 PolarHBondContact O-N 3.21Å; I327-E330 PolarHBondContact O-N 3.33Å; E330-L332 VanDerWaalsContact C-N 3.34Å; E330-L332 PolarHBondContact O-N 2.74Å; E330-Q333 CarbonylContact O-C 3.5Å; E330-Q333 PolarHBondContact O-N 2.69Å; E330-Q333 VanDerWaalsContact O-N 3.12Å; E330-Q334 WeakPolarHBondContact O-CG 3.44Å; E330-Q334 PolarHBondContact O-N 3.09Å
331A68.8Low65.4Low50 Ų50100.5 Ų100.541%0.41354%0.544SS..Hα-helixtrans-60.4-41.7174.400000112.2I327 L328 Q334I327-A331 WeakPolarHBondContact O-CB 2.95Å; I327-A331 PolarHBondContact O-N 3.46Å; L328-A331 PolarHBondContact O-N 3.16Å; A331-Q334 PolarHBondContact O-N 3.31Å
332L64.4Low67.6Low80 Ų8098.9 Ų98.942%0.41953%0.533SS..Hα-helixtrans-67.1-35.4173.6-69.3169000112.2L328 R329 E330 Q334 L335 L338L328-L332 HydrophobicContact CG-CD1 4.26Å; L328-L332 VanDerWaalsContact O-CG 3.29Å; L328-L332 WeakPolarHBondContact O-CG 3.35Å; L328-L332 PolarHBondContact O-N 2.82Å; R329-L332 PolarHBondContact O-N 3.48Å; E330-L332 VanDerWaalsContact C-N 3.34Å; E330-L332 PolarHBondContact O-N 2.74Å; L332-Q334 PolarHBondContact O-N 2.85Å; L332-L335 HydrophobicContact CD2-CD1 4.28Å; L332-L335 PolarHBondContact O-N 3.36Å; L332-L338 HydrophobicContact CB-CD2 4.19Å; L332-L338 HydrophobicContact CD2-CD2 3.8Å
333Q65.6Low69.2Low107 Ų10796.7 Ų96.750%0.552%0.521SS..Hα-helixtrans-70.9-12.5173.1-77.1-177.7-700114.2R329 E330 L335 N339R329-Q333 WeakPolarHBondContact O-CB 3.08Å; R329-Q333 WeakPolarHBondContact O-CG 3.41Å; R329-Q333 PolarHBondContact O-N 3.24Å; E330-Q333 CarbonylContact O-C 3.5Å; E330-Q333 PolarHBondContact O-N 2.69Å; E330-Q333 VanDerWaalsContact O-N 3.12Å; Q333-L335 VanDerWaalsContact C-N 3.33Å; Q333-N339 PolarHBondContact O-ND2 3.17Å
334Q76.1Confident70.9Confident150 Ų15098.6 Ų98.670%0.70153%0.527SS*.THydrogen-bonded Turntrans-83.8-6.7173-72.7176.329.900113.3E330 A331 L332 P336E330-Q334 WeakPolarHBondContact O-CG 3.44Å; E330-Q334 PolarHBondContact O-N 3.09Å; A331-Q334 PolarHBondContact O-N 3.31Å; L332-Q334 PolarHBondContact O-N 2.85Å; Q334-P336 VanDerWaalsContact O-CD 3.26Å; Q334-P336 WeakPolarHBondContact O-CD 3.29Å
335L83.4Confident72.2Confident89 Ų8997.4 Ų97.447%0.46652%0.52SS..  trans-88.1106.2179.2-64.1174.9000111.1L332 Q333 L337 L338 N339L332-L335 HydrophobicContact CD2-CD1 4.28Å; L332-L335 PolarHBondContact O-N 3.36Å; Q333-L335 VanDerWaalsContact C-N 3.33Å; L335-L337 VanDerWaalsContact C-N 3.34Å; L335-L337 PolarHBondContact O-N 3.26Å; L335-L338 HydrophobicContact CB-CB 3.75Å; L335-L338 HydrophobicContact CD1-CB 4.43Å; L335-L338 HydrophobicContact CD1-CD2 4.03Å; L335-L338 PolarHBondContact O-N 3.01Å; L335-L338 VanDerWaalsContact O-N 3.13Å; L335-N339 PolarHBondContact O-N 3Å
336P76.9Confident73.2Confident104 Ų10495.6 Ų95.668%0.67551%0.511SS*.Hα-helixtrans-66.4-36-170.3-21.334.8000113Q334 A340Q334-P336 VanDerWaalsContact O-CD 3.26Å; Q334-P336 WeakPolarHBondContact O-CD 3.29Å; P336-A340 WeakPolarHBondContact O-CB 3.41Å; P336-A340 PolarHBondContact O-N 3.28Å
337L76Confident73.8Confident152 Ų15298.8 Ų98.880%0.79652%0.524SS*.Hα-helixtrans-67.8-36.7175.6-79.5130000112.5L335 A340 L341L335-L337 VanDerWaalsContact C-N 3.34Å; L335-L337 PolarHBondContact O-N 3.26Å; L337-A340 PolarHBondContact O-N 3.32Å; L337-L341 WeakPolarHBondContact O-CB 3.39Å; L337-L341 PolarHBondContact O-N 3.32Å
338L77.1Confident73.2Confident68 Ų6899.3 Ų99.336%0.35653%0.527SS..Hα-helixtrans-70-43.9178-173.662.4000110.4L332 L335 A340 L341 V342L332-L338 HydrophobicContact CB-CD2 4.19Å; L332-L338 HydrophobicContact CD2-CD2 3.8Å; L335-L338 HydrophobicContact CB-CB 3.75Å; L335-L338 HydrophobicContact CD1-CB 4.43Å; L335-L338 HydrophobicContact CD1-CD2 4.03Å; L335-L338 PolarHBondContact O-N 3.01Å; L335-L338 VanDerWaalsContact O-N 3.13Å; L338-A340 PolarHBondContact O-N 3.18Å; L338-L341 PolarHBondContact O-N 3.45Å; L338-V342 WeakPolarHBondContact O-CB 3.42Å; L338-V342 VanDerWaalsContact O-CG2 3.28Å; L338-V342 WeakPolarHBondContact O-CG2 3.29Å; L338-V342 PolarHBondContact O-N 3.24Å
339N79.4Confident72.8Confident70 Ų7099.2 Ų99.237%0.37453%0.532SS..Hα-helixtrans-61.2-41.6173.6-74.3-15.3000112.4Q333 L335 A343Q333-N339 PolarHBondContact O-ND2 3.17Å; L335-N339 PolarHBondContact O-N 3Å; N339-A343 VanDerWaalsContact O-CB 3.27Å; N339-A343 WeakPolarHBondContact O-CB 3.38Å; N339-A343 PolarHBondContact O-N 3.3Å
340A83.6Confident72Confident49 Ų4997.2 Ų97.241%0.40554%0.538SS..Hα-helixtrans-61.8-47.317600000111.5P336 L337 L338 A343 E344P336-A340 WeakPolarHBondContact O-CB 3.41Å; P336-A340 PolarHBondContact O-N 3.28Å; L337-A340 PolarHBondContact O-N 3.32Å; L338-A340 PolarHBondContact O-N 3.18Å; A340-A343 WeakPolarHBondContact O-CB 3.43Å; A340-A343 PolarHBondContact O-N 3.18Å; A340-E344 WeakPolarHBondContact O-CG 3.43Å; A340-E344 PolarHBondContact O-N 3.26Å
341L79.5Confident70.6Confident96 Ų9699.7 Ų99.750%0.50355%0.549SS..Hα-helixtrans-65.9-39.4179.4-168.7150.9000111.9L337 L338 E344 L345L337-L341 WeakPolarHBondContact O-CB 3.39Å; L337-L341 PolarHBondContact O-N 3.32Å; L338-L341 PolarHBondContact O-N 3.45Å; L341-E344 PolarHBondContact O-N 2.94Å; L341-L345 HydrophobicContact CD2-CD1 3.6Å; L341-L345 HydrophobicContact CD2-CG 4.13Å; L341-L345 WeakPolarHBondContact O-CB 3.39Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.47Å; L341-L345 PolarHBondContact O-N 2.99Å
342V79.6Confident69.4Low83 Ų83102.8 Ų102.850%0.50357%0.565SS.*Hα-helixtrans-64.5-38.9172169.90000111.4L338 S346L338-V342 WeakPolarHBondContact O-CB 3.42Å; L338-V342 VanDerWaalsContact O-CG2 3.28Å; L338-V342 WeakPolarHBondContact O-CG2 3.29Å; L338-V342 PolarHBondContact O-N 3.24Å; V342-S346 WeakPolarHBondContact O-CB 3.4Å; V342-S346 PolarHBondContact O-N 3.2Å
343A78.5Confident67.8Low44 Ų44103.1 Ų103.136%0.36457%0.573SS.*Hα-helixtrans-66.3-40.9175.700000112.1N339 A340 S346 Q347N339-A343 VanDerWaalsContact O-CB 3.27Å; N339-A343 WeakPolarHBondContact O-CB 3.38Å; N339-A343 PolarHBondContact O-N 3.3Å; A340-A343 WeakPolarHBondContact O-CB 3.43Å; A340-A343 PolarHBondContact O-N 3.18Å; A343-S346 PolarHBondContact O-N 2.95Å; A343-S346 PolarHBondContact O-OG 3.48Å; A343-Q347 WeakPolarHBondContact O-CG 3.48Å; A343-Q347 PolarHBondContact O-N 3.47Å; A343-Q347 PolarHBondContact O-NE2 2.94Å
344E80.4Confident66.8Low128 Ų128104 Ų10460%0.59859%0.588SS**Hα-helixtrans-66.1-45174.6-73.2179.6179.600111.9A340 L341 S346 Q347 L348A340-E344 WeakPolarHBondContact O-CG 3.43Å; A340-E344 PolarHBondContact O-N 3.26Å; L341-E344 PolarHBondContact O-N 2.94Å; E344-S346 VanDerWaalsContact C-N 3.32Å; E344-S346 PolarHBondContact O-N 3.44Å; E344-Q347 PolarHBondContact O-N 2.84Å; E344-L348 PolarHBondContact O-N 3.35Å; E344-L348 VanDerWaalsContact O-N 3.16Å
345L74.1Confident64.8Low98 Ų98103.3 Ų103.351%0.51359%0.589SS.*Hα-helixtrans-61.1-38.9174.2-72.2179.4000112.3L341 Q347 L348 T349L341-L345 HydrophobicContact CD2-CD1 3.6Å; L341-L345 HydrophobicContact CD2-CG 4.13Å; L341-L345 WeakPolarHBondContact O-CB 3.39Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.47Å; L341-L345 PolarHBondContact O-N 2.99Å; L345-Q347 VanDerWaalsContact C-N 3.26Å; L345-Q347 PolarHBondContact O-N 2.93Å; L345-L348 HydrophobicContact CD2-CD1 4.39Å; L345-L348 PolarHBondContact O-N 2.91Å; L345-L348 VanDerWaalsContact O-N 3.11Å; L345-T349 PolarHBondContact O-N 3.43Å; L345-T349 VanDerWaalsContact O-N 3.09Å; L345-T349 PolarHBondContact O-OG1 2.95Å
346S73.8Confident62.5Low65 Ų65107.4 Ų107.446%0.45561%0.606SS.*Hα-helixtrans-63.9-30.6178.276.10000113.1V342 A343 E344 T349V342-S346 WeakPolarHBondContact O-CB 3.4Å; V342-S346 PolarHBondContact O-N 3.2Å; A343-S346 PolarHBondContact O-N 2.95Å; A343-S346 PolarHBondContact O-OG 3.48Å; E344-S346 VanDerWaalsContact C-N 3.32Å; E344-S346 PolarHBondContact O-N 3.44Å; S346-T349 WeakPolarHBondContact CA-OG1 3.36Å; S346-T349 PolarHBondContact O-OG1 3.01Å
347Q68.5Low60.5Low139 Ų139110.1 Ų110.165%0.6561%0.613SS**Hα-helixtrans-75-33.6174.2-70.716681.200111.7A343 E344 L345 T349 V350A343-Q347 WeakPolarHBondContact O-CG 3.48Å; A343-Q347 PolarHBondContact O-N 3.47Å; A343-Q347 PolarHBondContact O-NE2 2.94Å; E344-Q347 PolarHBondContact O-N 2.84Å; L345-Q347 VanDerWaalsContact C-N 3.26Å; L345-Q347 PolarHBondContact O-N 2.93Å; Q347-T349 VanDerWaalsContact C-N 3.35Å; Q347-V350 PolarHBondContact O-N 3.39Å
348L52.8Low58.6Low121 Ų121109.6 Ų109.663%0.63462%0.617SS**Hα-helixtrans-72.1-24.1175.9-71.1166.1000113.4E344 L345 V350E344-L348 PolarHBondContact O-N 3.35Å; E344-L348 VanDerWaalsContact O-N 3.16Å; L345-L348 HydrophobicContact CD2-CD1 4.39Å; L345-L348 PolarHBondContact O-N 2.91Å; L345-L348 VanDerWaalsContact O-N 3.11Å; L348-V350 PolarHBondContact O-N 3.39Å
349T52.8Low56.2Low114 Ų114116.4 Ų116.470%0.69964%0.644SS**THydrogen-bonded Turntrans-71.6-6.3174.734.90000115.1L345 S346 Q347 H351L345-T349 PolarHBondContact O-N 3.43Å; L345-T349 VanDerWaalsContact O-N 3.09Å; L345-T349 PolarHBondContact O-OG1 2.95Å; S346-T349 WeakPolarHBondContact CA-OG1 3.36Å; S346-T349 PolarHBondContact O-OG1 3.01Å; Q347-T349 VanDerWaalsContact C-N 3.35Å; T349-H351 PolarHBondContact O-N 3.08Å
350V50.5Low54.2Low120 Ų120119.2 Ų119.273%0.72767%0.665SS**  trans-86.660.2178.1-165.30000111.5Q347 L348Q347-V350 PolarHBondContact O-N 3.39Å; L348-V350 PolarHBondContact O-N 3.39Å
351H40.5Very low51.8Low166 Ų166123 Ų12377%0.76968%0.683SS**PPolyproline II helixtrans-84.4129.2164.2-94-79.6000110.2T349 S353T349-H351 PolarHBondContact O-N 3.08Å; H351-S353 PolarHBondContact O-N 3.22Å
352P43.3Very low49.5Very low116 Ų116125.3 Ų125.375%0.75370%0.702SS**PPolyproline II helixtrans-69.7129.5170.628.9-32.9000110.2
353S32.4Very low47.4Very low86 Ų86128 Ų12860%0.60171%0.713SS**PPolyproline II helixtrans-65.3133.2178.150.80000111.7H351 D355H351-S353 PolarHBondContact O-N 3.22Å; S353-D355 PolarHBondContact O-N 2.96Å
354P42.8Very low45Very low125 Ų125132.4 Ų132.481%0.81273%0.731SS**SBendtrans-78.327.9-174.533.9-37.2000115
355D34.3Very low42.7Very low136 Ų136133.7 Ų133.773%0.72774%0.736SS**  trans-106.335-169.3-67.6-62.2000114.4S353S353-D355 PolarHBondContact O-N 2.96Å
356Q35.6Very low40.6Very low176 Ų176139.6 Ų139.682%0.82275%0.752SS**  trans-13527.2179.4-69.5-160.816.300116.8
357I34.9Very low38.6Very low160 Ų160143 Ų14382%0.82177%0.765SS**SBendtrans-13379.9157.7-54.985.2000110.9
358T35.8Very low36.7Very low142 Ų142141.7 Ų141.787%0.87177%0.771SS**  trans-175.6112.2141.214.20000111.2
359K27.8Very low36.1Very low211 Ų211140.9 Ų140.992%0.91777%0.773SS**  trans-142142.7156-97.5-170.6176.6179.30109.8
360P35.7Very low34.9Very low128 Ų128146.4 Ų146.483%0.83178%0.781SS**  trans-87.2176.6-170.735.8-37.5000114.2
361V33.6Very low33.9Very low129 Ų129145.4 Ų145.478%0.78278%0.775SS**  trans-63.7145.8-177.9176.40000113.9
362T32.5Very low33.4Very low144 Ų144145.5 Ų145.588%0.88378%0.776SS**  trans-129.1143.9140.3470000109.6
363D33.9Very low32.8Very low141 Ų141144.8 Ų144.875%0.75477%0.774SS**  trans-94.8156.3-174.4-177.722.6000111.5
364D28.9Very low33.1Very low136 Ų136145.1 Ų145.173%0.72777%0.774SS**  trans-158.5111.4156.1-138.8-20.2000114
365H32.6Very low32.4Very low155 Ų155148.9 Ų148.972%0.71877%0.774SS**  trans10.8123.6158.7-57-40.2000122.1
366R30Very low32.1Very low221 Ų221151.8 Ų151.883%0.83478%0.78SS**  -178.3152.894.8-106.8-174.2165.6179.4-3.7117.2
367N30.9Very low31.7Very low136 Ų136149 Ų14973%0.72777%0.774SS**  trans69.991.6149.2-62.3-3.4000121.1
368S29.4Very low31.3Very low112 Ų112146.6 Ų146.678%0.78377%0.768SS**  trans-39.9164.7134.7-142.80000113.1
369P40.4Very low31Very low104 Ų104146.8 Ų146.868%0.67576%0.763SS**  cis-150174.322.945.1-25.8000119.7
370R26.4Very low31Very low230 Ų230144.5 Ų144.587%0.86876%0.76SS**  trans67140.8148-115.9175-175176.6-0.4115.9
371T30.7Very low30.7Very low99 Ų99143.8 Ų143.861%0.60776%0.759SS**  cis-166.2145.534.9-49.30000111
372Q30.4Very low30.4Very low169 Ų169140.7 Ų140.779%0.7975%0.752SS**  trans39.6118.6151.8-63.8162.4-2.600122.2
373S29.2Very low30.4Very low100 Ų100142 Ų14270%0.69975%0.752SS**  10.1164.4108.862.50000120.7
374P39.6Very low30.3Very low93 Ų93141.4 Ų141.460%0.60475%0.749SS**  cis-146.2-175.4-25.635.5-14000115.7
375Y26.8Very low30.6Very low205 Ų205141.7 Ų141.780%0.80475%0.75SS**  trans67.2138.1149.3-60.6-42000123.5
376K29.4Very low30.8Very low197 Ų197141.2 Ų141.286%0.85775%0.752SS**  trans65163.7153-67.5167.5179.7178.70118.6
377T26.2Very low31.3Very low116 Ų116136.7 Ų136.771%0.71275%0.752SS**  cis-179.8153.8-39.6-56.60000103.8
378T27.8Very low31.6Very low110 Ų110137.4 Ų137.468%0.67576%0.755SS**  trans80.4103.3158.1-44.90000119.6
379N27.9Very low32.5Very low146 Ų146137.8 Ų137.878%0.78176%0.755SS**  28.2127.6129.8-45.9-18.2000121.6
380L29.1Very low32.8Very low164 Ų164137.2 Ų137.286%0.85975%0.751SS**  177.8125.9120.1-90.4158.9000107.4
381S28.9Very low33.9Very low113 Ų113132.1 Ų132.179%0.7975%0.747SS**  46.8125.386.9-152.30000114.5
382G27.7Very low34Very low63 Ų63138 Ų13865%0.64976%0.759SS**  cis143.8118.40.900000111.8
383I32.3Very low34.2Very low171 Ų171136.5 Ų136.588%0.87776%0.756SS**  trans-179.6147.3178.8-102.3148.1000106.3
384N30.8Very low34.3Very low129 Ų129136.4 Ų136.469%0.6975%0.754SS**  cis-168.9159.6-25.6-148.41000104.3
385L36.7Very low34.1Very low143 Ų143136.5 Ų136.575%0.74976%0.757SS**  cis-140.5-160.923.2-79.7159.4000110.2
386N35.4Very low34.7Very low144 Ų144133 Ų13377%0.7776%0.758SS**  trans-127173.3169.5-59.5-83.1000110.3
387P42.3Very low35.2Very low127 Ų127128.8 Ų128.883%0.82575%0.75SS**  -144.5141.584.835.6-17.8000118
388L36.8Very low35.7Very low150 Ų150130.1 Ų130.179%0.78575%0.751SS**  trans-6.7165144.3-64.5171.2000120.9
389P46.9Very low35.9Very low121 Ų121130.9 Ų130.979%0.78676%0.755SS**  cis-135.8166.91341-24.7000118
390P48.2Very low36.3Very low92 Ų92133.6 Ų133.660%0.59776%0.756SS**  trans-113.3160.4168.540.2-32.3000115
391P48.6Very low37.2Very low122 Ų122131.7 Ų131.779%0.79275%0.754SS**  trans-85.3131.2151.633.7-28.4000109.6
392R33.7Very low37.4Very low223 Ų223132.5 Ų132.584%0.84275%0.754SS**  cis61.6125.143.1-62-171.1168.9179.3-2.3112.8
393N34.6Very low38.3Very low138 Ų138138.9 Ų138.974%0.73876%0.763SS**  cis-155.4167.83.5-98.94.8000107.3
394C30.3Very low38.3Very low97 Ų97142.6 Ų142.666%0.65577%0.767SS**  cis-149.21733.6-107.20000107
395S35.7Very low38.6Very low96 Ų96142.3 Ų142.367%0.67177%0.769SS**  cis74.7130.141.6-38.90000113.4
396T38.5Very low38.3Very low132 Ų132141.6 Ų141.681%0.8177%0.767SS**  cis-158.6-172.111.3-7.20000110.8
397P41.3Very low38.2Very low108 Ų108140.8 Ų140.870%0.70176%0.762SS**  -122.3-175.4-116.744.1-27.9000116.9
398I36.2Very low37.8Very low144 Ų144142.3 Ų142.374%0.73876%0.758SS**  trans-84.8142.4167.4-63.1170.2000110.1Y400I398-Y400 HydrophobicContact CG2-CD2 4.16Å; I398-Y400 HydrophobicContact CG2-CE2 3.96Å
399V31.7Very low37.7Very low125 Ų125141.6 Ų141.676%0.75875%0.754SS**  trans-136.2125.8170.3179.60000110.1
400Y36.8Very low36.9Very low203 Ų203143.6 Ų143.680%0.79675%0.753SS**  trans-100136.8168.6-70-89.6000110.3I398I398-Y400 HydrophobicContact CG2-CD2 4.16Å; I398-Y400 HydrophobicContact CG2-CE2 3.96Å
401P48.1Very low36.2Very low124 Ų124145.1 Ų145.181%0.80576%0.76SS**  trans-96.2136.4165.734.2-29.1000111.8
402V32.3Very low35.9Very low131 Ų131147.1 Ų147.179%0.79476%0.763SS**  trans-118132.6169.5172.40000110.1
403K47.3Very low36Very low196 Ų196146.7 Ų146.785%0.85277%0.768SS**  trans1.8132.7164.9-56.4178-179.4-179.30118.9
404R31.5Very low36.3Very low250 Ų250145.3 Ų145.394%0.94377%0.769SS**  -155.5160.5123.4-113169.5-174.2162.63.1111.7
405T37Very low36.7Very low122 Ų122152.3 Ų152.375%0.74878%0.782SS**  trans-94.4155.8-178.1520000110.1
406D31.4Very low37Very low129 Ų129157.6 Ų157.669%0.6979%0.792SS**  -176.2150.888-101.115.3000113.3
407N32.2Very low37.2Very low126 Ų126157.8 Ų157.867%0.67479%0.794SS**  trans56.3122.6140.1-65.3-44.7000124.2
408Q34.3Very low37.3Very low160 Ų160161.6 Ų161.675%0.74880%0.802SS**  trans89.1119.8134.1-74.1-17731.500123.2
409I34.6Very low37.5Very low134 Ų134166.8 Ų166.869%0.68781%0.812SS**  93.5135.4129.4-71171.8000121.1
410E31.2Very low38.4Very low164 Ų164170.5 Ų170.577%0.76682%0.818SS**  trans72.6106.2159.3-88.1169.3-171.700125
411T33.8Very low39.1Very low124 Ų124169.9 Ų169.976%0.76182%0.82SS**  trans51.7129.1130.953.30000123
412L40.8Very low38.8Very low163 Ų163171.5 Ų171.585%0.85382%0.821SS**  trans-47.9142.2165.6-60.278.1000114.3
413K35.3Very low39.5Very low214 Ų214171 Ų17193%0.9382%0.819SS**  trans-150.5138.7131.5-107.7142.1-170.8168.40111.7
414S41.9Very low39.5Very low109 Ų109172.7 Ų172.776%0.76282%0.821SS**  trans-75.1143.3-165.659.30000114.5
415R38Very low40.8Very low245 Ų245164.1 Ų164.193%0.92581%0.811SS**  trans-129.7122.9153.4-76.1-170.1170.2-173.7-2.4110.8
416K43.7Very low42.6Very low206 Ų206162.7 Ų162.790%0.89680%0.801SS**PPolyproline II helixtrans-71.6123.7-179.5-61.8177.6179.6-179.50109.9
417T41.3Very low44.9Very low137 Ų137160.3 Ų160.384%0.8479%0.792SS**PPolyproline II helixtrans-86.3131.1171.645.90000110.5R419T417-R419 PolarHBondContact O-N 3.12Å
418Q43.8Very low46.5Very low188 Ų188163.2 Ų163.288%0.87980%0.798SS**PPolyproline II helixtrans-72.6127.5177.1-70175.4-24.700110.3K420Q418-K420 PolarHBondContact O-N 3.37Å; Q418-K420 VanDerWaalsContact O-N 3.08Å
419R40.2Very low48.1Very low253 Ų253159.5 Ų159.596%0.95579%0.787SS**  trans-62108.6173.6-76-179.4170.3172.2-4.4109.9T417 K421T417-R419 PolarHBondContact O-N 3.12Å; R419-K421 PolarHBondContact O-N 3.48Å
420K50.1Low49.7Very low202 Ų202157.8 Ų157.888%0.87878%0.775SS**  trans-73.1121.9171.1-67.6-178.7179.7178.10109Q418 L422Q418-K420 PolarHBondContact O-N 3.37Å; Q418-K420 VanDerWaalsContact O-N 3.08Å; K420-L422 PolarHBondContact O-N 3.3Å
421K52.1Low51.7Low190 Ų190153.2 Ų153.283%0.82676%0.755SS**  trans-70.8117.1177.5-172.7173.5-176.1175.20109.7R419 T423R419-K421 PolarHBondContact O-N 3.48Å; K421-T423 PolarHBondContact O-N 3.44Å
422L41.9Very low53.4Low159 Ų159152.3 Ų152.383%0.83275%0.746SS**  trans-67.8109.1171-82.1164.4000109.5K420K420-L422 PolarHBondContact O-N 3.3Å
423T47.6Very low55.1Low121 Ų121152.6 Ų152.674%0.74274%0.735SS**  trans-91113.616448.50000108.7K421 G425K421-T423 PolarHBondContact O-N 3.44Å; T423-G425 PolarHBondContact O-N 3.05Å
424Y46.7Very low56.6Low231 Ų231146.9 Ų146.991%0.90671%0.714SS**  trans-59.5107.2173.9-79.8-88.7000110.6
425G58Low57.9Low70 Ų70149.3 Ų149.372%0.72271%0.711SS**PPolyproline II helixtrans-83.3121.2171.400000110.1T423 T427T423-G425 PolarHBondContact O-N 3.05Å; G425-T427 PolarHBondContact O-N 3.13Å
426T76.5Confident59.3Low91 Ų91145.3 Ų145.356%0.55870%0.703SS**PPolyproline II helixtrans-61134175.1530000110.4F430 N431T426-F430 HydrophobicContact CG2-CD1 4.03Å; T426-F430 HydrophobicContact CG2-CE1 4.2Å; T426-N431 PolarHBondContact O-ND2 3.31Å; T426-N431 PolarHBondContact OG1-ND2 2.96Å
427T79.4Confident60.1Low80 Ų80141.8 Ų141.849%0.49169%0.692SS.*PPolyproline II helixtrans-64.7155.3-173.657.20000112G425 T429 F430 N431G425-T427 PolarHBondContact O-N 3.13Å; T427-T429 PolarHBondContact O-N 3.18Å; T427-T429 PolarHBondContact OG1-OG1 2.86Å; T427-T429 VanDerWaalsContact OG1-OG1 3.07Å; T427-F430 PolarHBondContact O-N 3.35Å; T427-F430 VanDerWaalsContact O-N 3.15Å; T427-F430 PolarHBondContact OG1-N 2.88Å; T427-N431 PolarHBondContact O-N 2.97Å; T427-N431 VanDerWaalsContact O-N 3.12Å; T427-N431 PolarHBondContact O-ND2 3.48Å
428K65.7Low60.6Low186 Ų186138.8 Ų138.881%0.80968%0.677SS**Hα-helixtrans-55.4-33.4173.8-92.9-175.7174.9177.90112.2L432K428-L432 WeakPolarHBondContact O-CB 3.49Å; K428-L432 WeakPolarHBondContact O-CG 3.48Å; K428-L432 PolarHBondContact O-N 2.75Å
429T66.8Low60.8Low83 Ų83135.4 Ų135.451%0.50967%0.672SS.*Hα-helixtrans-70.3-40.1177.945.30000112.7T427 L432 R433T427-T429 PolarHBondContact O-N 3.18Å; T427-T429 PolarHBondContact OG1-OG1 2.86Å; T427-T429 VanDerWaalsContact OG1-OG1 3.07Å; T429-L432 PolarHBondContact O-N 2.87Å; T429-R433 WeakPolarHBondContact O-CG 3.36Å; T429-R433 PolarHBondContact O-N 3.13Å
430F69.5Low60.8Low98 Ų98131.6 Ų131.643%0.4367%0.669SS.*Hα-helixtrans-60.2-47.3171.3-177.9-96000111.3T426 T427 L432 R433 L434T426-F430 HydrophobicContact CG2-CD1 4.03Å; T426-F430 HydrophobicContact CG2-CE1 4.2Å; T427-F430 PolarHBondContact O-N 3.35Å; T427-F430 VanDerWaalsContact O-N 3.15Å; T427-F430 PolarHBondContact OG1-N 2.88Å; F430-L432 VanDerWaalsContact C-N 3.29Å; F430-L432 PolarHBondContact O-N 3.48Å; F430-R433 PolarHBondContact O-N 2.6Å; F430-L434 HydrophobicContact CE1-CD1 4.02Å; F430-L434 HydrophobicContact CZ-CD1 3.95Å; F430-L434 PolarHBondContact O-N 3.03Å
431N72.9Confident60.9Low67 Ų67131.5 Ų131.536%0.35867%0.669SS.*Hα-helixtrans-66.8-25.8178-72.9-82.1000113.8T426 T427 K435T426-N431 PolarHBondContact O-ND2 3.31Å; T426-N431 PolarHBondContact OG1-ND2 2.96Å; T427-N431 PolarHBondContact O-N 2.97Å; T427-N431 VanDerWaalsContact O-N 3.12Å; T427-N431 PolarHBondContact O-ND2 3.48Å; N431-K435 WeakPolarHBondContact O-CG 3.27Å; N431-K435 PolarHBondContact O-N 2.93Å
432L69.8Low60Low106 Ų106129 Ų12956%0.55567%0.67SS**Hα-helixtrans-72.7-46.2170.9-88.9161.3000111.6K428 T429 F430 L434 K435 Q436K428-L432 WeakPolarHBondContact O-CB 3.49Å; K428-L432 WeakPolarHBondContact O-CG 3.48Å; K428-L432 PolarHBondContact O-N 2.75Å; T429-L432 PolarHBondContact O-N 2.87Å; F430-L432 VanDerWaalsContact C-N 3.29Å; F430-L432 PolarHBondContact O-N 3.48Å; L432-L434 VanDerWaalsContact C-N 3.34Å; L432-L434 PolarHBondContact O-N 2.62Å; L432-K435 PolarHBondContact O-N 2.9Å; L432-K435 VanDerWaalsContact O-N 3.17Å; L432-Q436 PolarHBondContact O-N 3.15Å
433R75.9Confident59.7Low169 Ų169128.9 Ų128.964%0.63867%0.67SS**Hα-helixtrans-57.6-47.3174.3-68.7174.8-170172.62.6110.7T429 F430 K435 Q436 I437T429-R433 WeakPolarHBondContact O-CG 3.36Å; T429-R433 PolarHBondContact O-N 3.13Å; F430-R433 PolarHBondContact O-N 2.6Å; R433-K435 PolarHBondContact O-N 2.97Å; R433-Q436 WeakPolarHBondContact O-CB 3.46Å; R433-Q436 PolarHBondContact O-N 3.25Å; R433-I437 WeakPolarHBondContact O-CG1 3.05Å; R433-I437 PolarHBondContact O-N 2.93Å
434L67.1Low59.4Low93 Ų93130.6 Ų130.649%0.48767%0.674SS.*Hα-helixtrans-56.5-34.1178.3-132.677000113.2F430 L432F430-L434 HydrophobicContact CE1-CD1 4.02Å; F430-L434 HydrophobicContact CZ-CD1 3.95Å; F430-L434 PolarHBondContact O-N 3.03Å; L432-L434 VanDerWaalsContact C-N 3.34Å; L432-L434 PolarHBondContact O-N 2.62Å
435K69.3Low58.7Low160 Ų160130.8 Ų130.870%0.69667%0.673SS**Hα-helixtrans-78.3-17.1175.6-73.5176178.5-176.40114.3N431 L432 R433 S438N431-K435 WeakPolarHBondContact O-CG 3.27Å; N431-K435 PolarHBondContact O-N 2.93Å; L432-K435 PolarHBondContact O-N 2.9Å; L432-K435 VanDerWaalsContact O-N 3.17Å; R433-K435 PolarHBondContact O-N 2.97Å; K435-S438 PolarHBondContact O-OG 3.32Å
436Q67.4Low57.5Low161 Ų161135.6 Ų135.675%0.75268%0.677SS**Hα-helixtrans-83.5-23.6173.8-70173.9-47.500112.3L432 R433L432-Q436 PolarHBondContact O-N 3.15Å; R433-Q436 WeakPolarHBondContact O-CB 3.46Å; R433-Q436 PolarHBondContact O-N 3.25Å
437I60.9Low55.3Low132 Ų132137.9 Ų137.968%0.67770%0.695SS**SBendtrans-93.7-4.8177.88173000114.2R433 P439R433-I437 WeakPolarHBondContact O-CG1 3.05Å; R433-I437 PolarHBondContact O-N 2.93Å; I437-P439 VanDerWaalsContact O-CD 3.28Å; I437-P439 WeakPolarHBondContact O-CD 3.19Å
438S50.3Low53.1Low75 Ų75141.9 Ų141.952%0.52471%0.71SS.*  trans-80.5114.5175.659.40000111.3K435K435-S438 PolarHBondContact O-OG 3.32Å
439P49.7Very low51.5Low117 Ų117140.8 Ų140.876%0.7671%0.708SS**PPolyproline II helixtrans-65163173.228.4-34.9000111.6I437I437-P439 VanDerWaalsContact O-CD 3.28Å; I437-P439 WeakPolarHBondContact O-CD 3.19Å
440L39.2Very low50Low173 Ų173144.7 Ų144.791%0.90673%0.725SS**PPolyproline II helixtrans-59.2144-176.1-100.872.3000112.7
441K51.4Low48.1Very low199 Ų199151.3 Ų151.387%0.86575%0.747SS**PPolyproline II helixtrans-61.8134.9-179.4-55.7171.6-175.4173.80111.5
442V33.3Very low46.3Very low139 Ų139158.2 Ų158.284%0.84277%0.774SS**  trans-115.4147.6149.9-179.30000107.5
443N36.7Very low44.5Very low156 Ų156159.1 Ų159.183%0.83479%0.789SS**  trans-61.7145.7-151.9-69.8-40.8000116.9
444N40.5Very low42.2Very low156 Ų156154.4 Ų154.483%0.83479%0.793SS**  trans-57.4146.5165.8-54.5-16.6000111.8
445R32Very low40.4Very low235 Ų235155.9 Ų155.989%0.88781%0.806SS**  -161.5138.5117.5-110.3173.8-169-171.61.6113.3
446E33.5Very low38.5Very low171 Ų171157 Ų15780%0.79981%0.814SS**  trans6187.8138.7-157.2150.2-120.200119.7
447C29.1Very low36.8Very low140 Ų140154.1 Ų154.195%0.94681%0.811SS**  trans-14798.5130.7-96.10000108.4
448M34.4Very low35.4Very low164 Ų164158.4 Ų158.481%0.80882%0.819SS**  trans-96.5167.3164.7-151.4-173.374.200108.8
449E32.1Very low34.5Very low162 Ų162161.2 Ų161.276%0.75783%0.833SS**  trans68102.9178.4-51.2-159.4123.300115.8
450L34.8Very low33.7Very low166 Ų166160 Ų16087%0.86983%0.833SS**  -162.3157.397.1-99.6167.4000111.3
451R29.7Very low33.4Very low237 Ų237160.9 Ų160.989%0.89483%0.83SS**  trans67.263.2170.2-59.4-172.7177.9-148.8-2.8118.2
452K34.7Very low32.4Very low212 Ų212157.8 Ų157.892%0.92282%0.818SS**  -98.4156.8108-64.7178.8-176.3175.10106.6
453S31.7Very low32.4Very low124 Ų124158.8 Ų158.887%0.86781%0.811SS**  cis-141.9-176.910.959.10000110.9
454G27.6Very low32.1Very low70 Ų70158.2 Ų158.272%0.72280%0.804SS**  trans-170.183171.600000113.7
455T29.3Very low31.8Very low124 Ų124158.6 Ų158.676%0.76180%0.798SS**  trans-175.5139.1155.8-81.60000109.1
456Q30.8Very low31.8Very low184 Ų184152.6 Ų152.686%0.8679%0.792SS**  trans66.5133.4178.7-71.7169.71300116.1
457S31.6Very low31.8Very low100 Ų100151.5 Ų151.570%0.69979%0.792SS**  cis-163150.8-7.557.80000114.9
458R31.4Very low32.8Very low222 Ų222149.9 Ų149.984%0.83878%0.779SS**  trans69.8125147.6-81.4-177.2167.7-175.7-4.3121.5
459T31.5Very low33Very low134 Ų134150.8 Ų150.882%0.82278%0.779SS**  trans80149.6135.751.90000122.5
460A31.8Very low33.1Very low93 Ų93148.9 Ų148.977%0.76978%0.778SS**  trans83.592.716000000120.3
461K33.7Very low33.2Very low191 Ų191147.9 Ų147.983%0.8377%0.772SS**  47.6138.2125.4-73.9-170.9174.4-172.60123.3
462E29.7Very low33.5Very low133 Ų133146.2 Ų146.262%0.62177%0.771SS**  trans79.7109.8142.7-76.3-172.2106.100122.1
463K34.3Very low33.7Very low160 Ų160140.5 Ų140.570%0.69676%0.758SS**  60142.2117.8-72.8-179.7-170.3154.50121.6
464E30.3Very low34Very low145 Ų145143.7 Ų143.768%0.67876%0.757SS**  trans67.7153.3149.9-73.2-168.4141.500117.1
465K33.2Very low34.7Very low164 Ų164149.5 Ų149.571%0.71376%0.762SS**  cis-160172.6-28-124.1172-167.41630108.4
466S32.8Very low34.8Very low108 Ų108155.6 Ų155.676%0.75577%0.771SS**  trans64.2128.9148.658.40000122.1
467N32.6Very low34.8Very low149 Ų149150.1 Ų150.180%0.79776%0.764SS**  trans-52.7176.5147.2-58.6-61000111.5
468P51.6Low34.7Very low106 Ų106154 Ų15469%0.68877%0.771SS**  cis-160.4176.428.746.3-23.5000121.8
469K37.8Very low34.7Very low182 Ų182149.4 Ų149.479%0.79176%0.762SS**  trans65123.7134.8-80.6170.4-179.4177.20124.3
470T34.1Very low34.8Very low122 Ų122151.9 Ų151.975%0.74876%0.757SS**  91.1165.3121.7610000124.4
471I36.8Very low34.7Very low146 Ų146156.5 Ų156.575%0.74976%0.755SS**  trans92.2103.8168.2-53.6-179.5000113
472K36.8Very low34.4Very low201 Ų201157.2 Ų157.287%0.87475%0.752SS**  69.3144.569.1-61.8176.6177.1176.30111.7
473S38.3Very low34.9Very low92 Ų92155.4 Ų155.464%0.64375%0.754SS**  cis-171.6167.122.575.70000114.4
474K38.8Very low34.8Very low192 Ų192153.9 Ų153.984%0.83575%0.754SS**  trans59.1162140.2-71.8171.5-180176.70121
475K42.5Very low35.1Very low192 Ų192152.8 Ų152.884%0.83576%0.757SS**  cis-177147.8-28.1-163.9-176.7-167.5-169.10109.5
476R31.3Very low34.9Very low252 Ų252151 Ų15195%0.95176%0.755SS**  trans132.4147166.1-83.2176.1165.8171.5-4.8110.5
477G29.8Very low35Very low69 Ų69153 Ų15371%0.71175%0.753SS**  cis166.3138.3-16.700000116.8
478H28.8Very low35.1Very low182 Ų182152.8 Ų152.884%0.84375%0.752SS**  trans84139.3138.1-118.1-72.4000123.4
479L32.7Very low34.2Very low124 Ų124154 Ų15465%0.64975%0.751SS**  trans100.6114.5151.5-61.4168.4000121.4
480Y32.7Very low33.9Very low186 Ų186153.3 Ų153.373%0.72975%0.751SS**  trans69.4142.4141.5-72.6-38.5000120.8
481R29.1Very low34Very low191 Ų191153.5 Ų153.572%0.72175%0.751SS**  cis-156.5142.9-6.9-152.1158.7-164.2-148.86.7110.7
482R28.5Very low33.8Very low205 Ų205152.4 Ų152.477%0.77475%0.752SS**  trans18.3142.7135.5-128.5-164.8-164177.23.3117.2
483S39Very low33.5Very low95 Ų95152 Ų15266%0.66476%0.755SS**  cis-176.7175.730.6-160000107.5
484N33.3Very low33.2Very low129 Ų129155.9 Ų155.969%0.6976%0.763SS**  cis-175.3159.6-16-119.741.5000107.5
485V36.2Very low32.8Very low121 Ų121151.5 Ų151.573%0.73376%0.756SS**  trans55.6148.2138163.60000120.6
486D29.1Very low32.2Very low127 Ų127150.7 Ų150.768%0.67976%0.76SS**  cis-173.7-174.1-31.1-141.1-37.6000108.4
487E35.8Very low32.2Very low151 Ų151144.2 Ų144.271%0.70675%0.749SS**  trans42.8109.7146.6-69.9172.316300120.5
488N33.9Very low32.5Very low144 Ų144146.8 Ų146.877%0.7775%0.751SS**  175.7125.4115.6-85.6-43.2000109
489I32.2Very low32.5Very low131 Ų131144.7 Ų144.767%0.67275%0.746SS**  88.6110.258.5-72.3179.1000112.8
490E31.1Very low32.5Very low168 Ų168144.5 Ų144.579%0.78576%0.755SS**  trans68157.3150.9-77.7-173.1109.200125
491T37.1Very low32.5Very low125 Ų125139.8 Ų139.877%0.76775%0.754SS**  trans84.9120151.637.10000122.8
492V32.9Very low32.8Very low124 Ų124139.2 Ų139.275%0.75276%0.764SS**  trans66.1102.8145.8-173.70000118.9
493M29.5Very low33Very low191 Ų191132.8 Ų132.894%0.94176%0.762SS**  -131.3120.2118.6-71.7-156.4-58.300109.4
494Q32.9Very low32.5Very low174 Ų174136.8 Ų136.881%0.81377%0.77SS**  trans-122.9145.8166.5-88.3-170.8-17.900109.3
495S29.1Very low32.4Very low100 Ų100136.5 Ų136.570%0.69977%0.774SS**  trans38.2121.3153.360.80000119.9
496L30.8Very low32Very low175 Ų175137.1 Ų137.192%0.91678%0.777SS**  -150.3115.5117.2-108.6166.5000110.1
497T31.4Very low32.2Very low116 Ų116136.6 Ų136.671%0.71278%0.779SS**  trans-102.7-169163.743.60000108.5
498V36.1Very low32.1Very low124 Ų124137 Ų13775%0.75279%0.785SS**  trans78.9131172.3-171.40000112.2
499D29Very low31.9Very low137 Ų137139.6 Ų139.673%0.73379%0.789SS**  cis-146.6164.47.4-138.3-25.3000114
500S32.3Very low32.3Very low121 Ų121138 Ų13885%0.84680%0.796SS**  trans-178.3108154.7-82.20000111.7
501A33.8Very low32.3Very low87 Ų87139.1 Ų139.172%0.71980%0.798SS**  trans-155.1128.3175.600000114.8
502L34.4Very low32.1Very low178 Ų178139 Ų13993%0.93280%0.798SS**  trans179.7140.5147.7-117.369.1000104.8
503G32.6Very low32.3Very low70 Ų70141 Ų14172%0.72280%0.798SS**  cis99.5121.145.400000107.2
504E29.7Very low32.3Very low179 Ų179141 Ų14184%0.83680%0.796SS**  cis-139.8156.421.5-71.1175.799.700109.7
505T31Very low32Very low124 Ų124136.2 Ų136.276%0.76179%0.794SS**  47.9139.970.247.60000114.8
506V27.8Very low32Very low134 Ų134135.8 Ų135.881%0.81280%0.796SS**  cis-145.6175.235.3175.10000111.9
507T32.3Very low32Very low116 Ų116135.9 Ų135.971%0.71279%0.792SS**  trans-123.6172.3-176.658.50000115.3
508L33.1Very low31.8Very low158 Ų158137.2 Ų137.283%0.82780%0.795SS**  trans73.7154.1171.4-54.5167.6000115.1
509K31.5Very low31.5Very low199 Ų199135 Ų13587%0.86580%0.797SS**  cis-163174.228.7-150.7169.1-172172.40111.2
510A39.8Very low31.5Very low98 Ų98140.4 Ų140.481%0.8181%0.807SS**  trans-110.2155.9176.100000113.8
511K30.4Very low31.5Very low192 Ų192139.2 Ų139.284%0.83580%0.804SS**  trans-159.7156.3163.1-149-176.3177.1-168.20113.8
512T33.7Very low31.4Very low123 Ų123143.9 Ų143.976%0.75581%0.811SS**  trans-111.5142.5-177.3-44.60000112.7
513Q36.5Very low31.2Very low165 Ų165138.3 Ų138.377%0.77180%0.797SS**  trans-175.7134.1151.9-102.2157.5-15.400106.4
514Q30.8Very low31Very low191 Ų191142.6 Ų142.689%0.89380%0.803SS**  cis90.4116.126.4-154.2-178.827.400114.4
515G26.3Very low30.9Very low74 Ų74139.1 Ų139.176%0.76380%0.799SS**  trans137135.8-179.100000111
516A29.2Very low30.9Very low91 Ų91141.2 Ų141.275%0.75280%0.8SS**  cis151.1155.6-2400000107.7
517Q30.7Very low31.1Very low177 Ų177140.5 Ų140.583%0.82779%0.791SS**  trans67.3158.3179.1-52.9-155.3-92.100115.7
518D27.7Very low31Very low143 Ų143143.5 Ų143.577%0.76580%0.795SS**  cis-159.7154.7-35.9-109.2-54.5000107
519G29.7Very low30.8Very low77 Ų77144.7 Ų144.779%0.79480%0.796SS**  trans17088.4176.600000115.9
520R29Very low31.3Very low252 Ų252139.8 Ų139.895%0.95179%0.785SS**  trans-93.5131166-67.6178.8174-161.8-0.8110.7
521A32Very low30.7Very low95 Ų95142.1 Ų142.179%0.78578%0.783SS**  trans-176.6162.6141.400000110.1
522Q30.8Very low30.6Very low185 Ų185140.1 Ų140.186%0.86477%0.774SS**  cis-178.4114-40.4169.7173.5-1200106.7
523G29.8Very low30.3Very low62 Ų62141 Ų14164%0.63977%0.77SS**  trans69.4161.9168.400000116.6
524D28.6Very low30Very low160 Ų160139.8 Ų139.886%0.85677%0.767SS**  cis-152.6168.5-15.3-94.6-42000109.9
525S29.3Very low29.8Very low105 Ų105139.4 Ų139.473%0.73476%0.763SS**  trans-3.9141.8144.5-107.80000117.1
526E30.7Very low29.8Very low169 Ų169140.8 Ų140.879%0.7976%0.76SS**  cis-137.8175.917.1-57.9-177.5135.600108.5
527D31.1Very low30.1Very low118 Ų118144 Ų14463%0.63176%0.762SS**  cis-169.217334.1-153.2-13.7000112.3
528F31.2Very low30.5Very low179 Ų179141.4 Ų141.479%0.78576%0.761SS**  trans55.590.9168-64.5-68.6000121.6
529H28.2Very low30.9Very low183 Ų183139.6 Ų139.685%0.84776%0.76SS**  trans-81.1177.2145.7-87.9-49.3000111.3
530P42.8Very low31.3Very low97 Ų97141.9 Ų141.963%0.6376%0.761SS**  cis-138.9-157.6-42.736.9-16.3000112
531L26.3Very low31.4Very low147 Ų147137.2 Ų137.277%0.7776%0.755SS**  trans73.6139.7162.5-62.2162.1000115.8
532K27.4Very low32Very low149 Ų149138.3 Ų138.365%0.64875%0.753SS**  cis117.1119.217-101.5-161.6161-137.10110.1
533E28.6Very low31.7Very low143 Ų143134.7 Ų134.767%0.66875%0.748SS**  73.3160125.7-146.5163.8-127.800119
534L29Very low31.8Very low138 Ų138138.8 Ų138.872%0.72376%0.761SS**  trans80109.1162.7-53.3178000122.3
535K26.8Very low31.7Very low184 Ų184139.1 Ų139.180%0.876%0.757SS**  59.4134.7120.4-80.8-176.2173.3179.10124.3
536C26.5Very low31.8Very low103 Ų103138.6 Ų138.670%0.69675%0.753SS**  trans80121.9137.9-67.30000122.7
537I36Very low31.6Very low157 Ų157137.3 Ų137.381%0.80575%0.752SS**  23.8126.5117.9-53171.8000115.8
538P38.8Very low31.7Very low124 Ų124136.6 Ų136.681%0.80576%0.756SS**  -145.2-163.751.534.5-10.5000117.2
539S37.3Very low31.6Very low105 Ų105134.3 Ų134.373%0.73476%0.757SS**  trans-95173.4-179.854.70000115.4
540P38.1Very low32.5Very low125 Ų125130.7 Ų130.781%0.81275%0.75SS**  -148.4174.9128.339.2-23.3000117
541N29.4Very low31.8Very low154 Ų154134 Ų13482%0.82476%0.762SS**  trans-91.1173.6178.4-59.7-30.7000113.9
542P45.2Very low32.2Very low117 Ų117132.3 Ų132.376%0.7676%0.762SS**  -139.813410635.7-22.3000113.2
543S25Very low32.7Very low109 Ų109134.1 Ų134.176%0.76277%0.769SS**  86.613571.892.50000115.8
544V31.1Very low32.8Very low149 Ų149134.3 Ų134.390%0.90378%0.775SS**  trans-174.9161.4145.91450000109.7
545H27.5Very low33.7Very low167 Ų167136.3 Ų136.377%0.77378%0.778SS**  trans-78.1155.2-155.7-94.1-91.5000121.4
546S31.3Very low34.1Very low94 Ų94135.7 Ų135.766%0.65778%0.783SS**  trans65.8163.3135.4-63.40000120.3
547D26.7Very low34.4Very low142 Ų142139 Ų13976%0.75979%0.786SS**  cis-154164.49.8-139.2-33.7000115.8
548S31.8Very low34.2Very low103 Ų103140.8 Ų140.872%0.7278%0.782SS**  trans65.4133.5149.568.40000124.3
549T30.5Very low33.9Very low131 Ų131141.5 Ų141.580%0.80478%0.775SS**  trans-79.4174.7161.950.30000111.7
550P45.5Very low33.7Very low107 Ų107141.5 Ų141.570%0.69578%0.775SS**  cis-159.6-174.540.545.8-22.8000120.9
551L28.8Very low33.3Very low167 Ų167144.5 Ų144.587%0.87478%0.775SS**  trans68.5139.1160.2-11253000116.2
552S35.2Very low33.4Very low110 Ų110143.5 Ų143.577%0.76977%0.769SS**  cis-143.217635.960.60000116.4
553K36.9Very low32.7Very low187 Ų187144.1 Ų144.181%0.81377%0.766SS**  trans-87.4162.7165.1-69.8171.7-175.7168.30107.7
554D32Very low33.1Very low147 Ų147147.3 Ų147.379%0.78677%0.769SS**  -160.1174.953.4-153.13000115.6
555K46.8Very low33.1Very low180 Ų180145.3 Ų145.378%0.78376%0.762SS**  trans-100.6150.1-175.7-55.5169.5-178.2176.60110.9
556N35.1Very low33.3Very low171 Ų171145.2 Ų145.291%0.91477%0.767SS**  trans-153.9172.3144.5-115.1-45000114.9
557K34.3Very low33.5Very low173 Ų173146.8 Ų146.875%0.75278%0.777SS**  trans-107.9143.5-161.2-98.4177.3177.1170.70114.5
558R31Very low33.6Very low194 Ų194148.9 Ų148.973%0.73278%0.783SS**  trans79.9135.8134.3-82.9178.3170.5-144.95.5122.2
559H32.1Very low33.7Very low140 Ų140149.4 Ų149.465%0.64879%0.787SS**  trans79.397.5143.4-63-45000121.2
560S32.7Very low33.8Very low104 Ų104148.9 Ų148.973%0.72778%0.779SS**  99.6127.1106.171.10000121.7
561K30.6Very low33.1Very low188 Ų188153.7 Ų153.782%0.81778%0.783SS**  trans90.8130.1142.8-89.5-170.7172.7-171.10121
562L30.8Very low33.3Very low133 Ų133151.4 Ų151.470%0.69677%0.772SS**  trans81.2110.4147.4-68163000119.7
563D31.5Very low33.3Very low130 Ų130154.8 Ų154.870%0.69577%0.773SS**  96.8134.6125.5-73.4-1.5000123.3
564Q32.7Very low33Very low177 Ų177153.6 Ų153.683%0.82777%0.768SS**  trans79.5148.2155.1-71.1169.823.100120.7
565S32.3Very low33Very low107 Ų107156.6 Ų156.675%0.74877%0.768SS**  trans77.899.3172.6-48.80000117.4
566D32Very low32.3Very low165 Ų165154.7 Ų154.788%0.88277%0.766SS**  28.6142.4107.7-54.7-18.6000118.8
567S34.3Very low32.2Very low126 Ų126152.2 Ų152.288%0.88176%0.762SS**  cis-143.2162.21254.40000113
568Q29.2Very low32.3Very low186 Ų186149.7 Ų149.787%0.86976%0.761SS**  trans-115.2138.4-171.5178.1-176.3-6.300111.5
569S34.5Very low32.9Very low115 Ų115146.1 Ų146.180%0.80476%0.763SS**  trans-149.596.516861.40000111.6
570D31.8Very low32.9Very low119 Ų119145.9 Ų145.964%0.63677%0.766SS**  trans-166.4160160.8-136.3-16.5000115.7
571W30.6Very low33.2Very low209 Ų209147.5 Ų147.579%0.79277%0.766SS**  trans59.295.7164.9-57.7108.1000122.7
572D34Very low33.4Very low118 Ų118145.2 Ų145.263%0.63176%0.761SS**  trans-20.7126.9133.1166.938000117.6
573K33.4Very low33.4Very low181 Ų181146.2 Ų146.279%0.78776%0.762SS**  trans-169.5114.1135.7-113.2158.5-176.4161.50118
574F32.4Very low33.6Very low163 Ų163149.8 Ų149.872%0.71577%0.766SS**  trans51.4135.3130.2-83.4-95000125.2
575R31.4Very low33.5Very low210 Ų210150 Ų15079%0.79277%0.767SS**  trans98.3115.7143.8-75.5178-175.5-123.61.1122.8
576L32.9Very low33.5Very low140 Ų140150.2 Ų150.273%0.73377%0.769SS**  64.5118.4128.9-59.5169.3000121.6
577S31.2Very low33.4Very low118 Ų118145.9 Ų145.983%0.82576%0.763SS**  -179.7165.1101.6-73.60000112.8
578V38.1Very low33.3Very low121 Ų121151.5 Ų151.573%0.73377%0.765SS**  trans-129.5145.6-178.8179.30000109.7
579P43.6Very low33.5Very low119 Ų119147 Ų14777%0.77375%0.753SS**  -132.7147.6119.836.3-25.6000111.7
580D31Very low33.3Very low135 Ų135148.7 Ų148.772%0.72275%0.754SS**  cis68.5134.844.8-87.614.3000114.4
581L39.9Very low33.6Very low137 Ų137148.3 Ų148.372%0.71776%0.76SS**  cis-162.6-171.8-5.8-161.4129.6000108.4
582I33.2Very low34.2Very low140 Ų140144 Ų14472%0.71876%0.76SS**  trans79.7135.1163.7-55.2177.1000115.7
583E31.9Very low34.1Very low154 Ų154146.8 Ų146.872%0.7277%0.768SS**  cis-151.4179.5-16.4-122.3-164.8129.100114.7
584R34.9Very low33.9Very low205 Ų205143.1 Ų143.177%0.77477%0.766SS**  trans-65.4175.1-173.6-63.1157.8152176.4-6.8118.6
585Q31Very low33.9Very low181 Ų181139.7 Ų139.785%0.84676%0.762SS**  trans97.4116.9145.1-84.6177.526.200122.1
586S32.8Very low33.8Very low113 Ų113139 Ų13979%0.7977%0.765SS**  66.585.6126-171.10000122.7
587G29.4Very low33.7Very low74 Ų74137.8 Ų137.876%0.76377%0.769SS**  81.9171.1112.100000121.8
588R33.2Very low33.7Very low244 Ų244141 Ų14192%0.92177%0.771SS**  trans65.7102.3169.7-82.6-170.8173.2-162.3-2.2120.4
589S33.2Very low33.4Very low90 Ų90141.4 Ų141.463%0.62978%0.777SS**  64.8143.6118.968.40000123.4
590N29.9Very low33.1Very low152 Ų152140.8 Ų140.881%0.81378%0.776SS**  trans105.1133.1151.5-57.2-22.3000118.9
591S37.1Very low33.4Very low111 Ų111141.2 Ų141.278%0.77678%0.778SS**  trans-72.9158.6154.7-45.90000110.4
592P44.6Very low33.4Very low119 Ų119142.8 Ų142.877%0.77379%0.787SS**  -128.616791.48.913.7000111.5
593E31.2Very low34Very low175 Ų175144.5 Ų144.582%0.81879%0.789SS**  cis95.9104.826.6-164.4176.4-130.900116.1
594S30.2Very low34.7Very low104 Ų104145.1 Ų145.173%0.72780%0.796SS**  trans80.7156.1151.383.10000123.1
595S30.5Very low35.1Very low92 Ų92141.9 Ų141.964%0.64379%0.794SS**  trans10294.3139.7-60.20000122.4
596F30.6Very low35.7Very low194 Ų194137.7 Ų137.785%0.85179%0.79SS**  trans43.5123.8131.3-59.7-76.4000124
597S29.7Very low36Very low116 Ų116140.1 Ų140.181%0.81180%0.795SS**  -168.8124.7129.8-72.90000107.1
598E32.4Very low36.4Very low186 Ų186148 Ų14887%0.86980%0.803SS**  71.199.361.1-73.9-144.6139.500116
599C31.6Very low36.7Very low128 Ų128139.8 Ų139.887%0.86579%0.788SS**  trans174.3150.3146.1-108.50000109.5
600S37Very low37.1Very low106 Ų106142.4 Ų142.474%0.74179%0.794SS**  cis-164.5162.3-29.245.20000108.9
601N37.1Very low37.9Very low145 Ų145142.2 Ų142.278%0.77579%0.793SS**  trans-54.1152.9-172.9-56-60.7000115.9
602N39.4Very low37.8Very low169 Ų169145.9 Ų145.990%0.90480%0.796SS**  -161.9149.8113.2-95.1-30.9000112.8
603K46.3Very low37.6Very low176 Ų176147.3 Ų147.377%0.76580%0.797SS**  trans-97155.9174.5-64.7-176173.2-165.10111.2
604I46.9Very low38.1Very low167 Ų167144.9 Ų144.986%0.85680%0.799SS**  trans-147.3128.3138.4-94.2144.6000106.6
605D42.6Very low38.4Very low138 Ų138147.5 Ų147.574%0.73880%0.804SS**  trans-101.7135.5170.5-65.8-65.4000108.7
606A43.8Very low38.4Very low93 Ų93151.3 Ų151.377%0.76981%0.812SS**  trans-153.1124.4167.900000110.5
607N39.2Very low38.9Very low164 Ų164147 Ų14788%0.87781%0.805SS**  trans-81.9143.8-176.8-57.3-50.7000112.2
608Y38.2Very low39.1Very low238 Ų238147.4 Ų147.493%0.93381%0.808SS**  trans-143.9148.9133.8-142.5-92.7000109.3
609A39.5Very low39.2Very low73 Ų73146.1 Ų146.160%0.60381%0.808SS**  trans-114.6167.4-166.400000113.2
610D41Very low39.2Very low144 Ų144149.2 Ų149.277%0.7781%0.809SS**  trans10.4130.5156.5-52.2-40.8000119.7
611D47.6Very low39.1Very low148 Ų148148.8 Ų148.879%0.79181%0.807SS**  -165110.2118.4-100.2-20.8000113.3
612F35Very low39Very low188 Ų188147.2 Ų147.283%0.82581%0.807SS**  trans48140.1148.6-71.7-83.2000126.3
613D39.1Very low38.6Very low150 Ų150150.1 Ų150.180%0.80281%0.805SS**  trans-63155.6158.1-52.8-86.3000113.8
614S42.3Very low37.8Very low124 Ų124145.1 Ų145.187%0.86780%0.796SS**  trans-162.5161.2140.8-86.90000112.5
615L37.2Very low37.2Very low159 Ų159144.7 Ų144.783%0.83280%0.796SS**  trans-113.5169.5-167.1-75.8167.1000113.7
616E30.7Very low36.8Very low172 Ų172144.4 Ų144.480%0.80480%0.799SS**  trans70114.5147.3-82.5175.5160.300121.8
617S39.6Very low36.9Very low102 Ų102145.4 Ų145.471%0.71380%0.798SS**  trans33.9132.7131.662.60000122.6
618S35.3Very low36.6Very low125 Ų125147.1 Ų147.187%0.87480%0.797SS**  trans-156.2139.5134.6-75.80000111.3
619D33.3Very low36.4Very low160 Ų160140.8 Ų140.886%0.85679%0.788SS**  trans-83.4147.1160.6-73.2-68000109.7
620E31.9Very low36.8Very low192 Ų192142.7 Ų142.790%0.89779%0.794SS**  trans-169.3117.3135-112-177169.200116.2
621S35.3Very low36.2Very low98 Ų98143.1 Ų143.169%0.68580%0.796SS**  48.8104.3126.2-158.70000123.9
622S34.6Very low35.6Very low111 Ų111141 Ų14178%0.77679%0.794SS**  trans73.1145.4137.882.50000119.6
623R30.6Very low36.2Very low231 Ų231137.2 Ų137.287%0.87279%0.787SS**  -175.8137.367.8171.8172.5178156.40.1113.9
624A30.6Very low35.6Very low70 Ų70137.1 Ų137.158%0.57979%0.787SS**  trans52127.4154.800000122
625N33.7Very low35.1Very low159 Ų159136.3 Ų136.385%0.8578%0.781SS**  -178138.4100.7-87.7-39.5000112.9
626T34.4Very low34.7Very low132 Ų132133.3 Ų133.381%0.8177%0.772SS**  trans-134155.6159570000107.5
627P47Very low34.7Very low113 Ų113132.5 Ų132.573%0.73477%0.772SS**  -157.4170.7100.736.9-16.8000117.4
628K31.5Very low34.3Very low200 Ų200131.8 Ų131.887%0.8777%0.767SS**  trans119.1116.5146.1-66.6-177.4179.7-177.20118
629S33.5Very low34.1Very low106 Ų106133.1 Ų133.174%0.74177%0.765SS**  trans-78.3167.9152.8-40.60000110.7
630P49.8Very low35Very low112 Ų112130.8 Ų130.873%0.72776%0.758SS**  -144.9-177.792.233.4-14.7000112.8
631D27.1Very low34.9Very low153 Ų153132.8 Ų132.882%0.81876%0.757SS**  cis-158.6173-32-92.8-28.3000107.8
632S34.8Very low34.9Very low105 Ų105133 Ų13373%0.73476%0.759SS**  trans-8417817457.90000113
633P47.6Very low34.8Very low107 Ų107136.1 Ų136.170%0.69576%0.761SS**  -148.6159.49339.3-22.6000116.9
634D27.5Very low34.8Very low149 Ų149128.2 Ų128.280%0.79775%0.752SS**  trans41.1148134.9-55.2-17.7000122.2
635S31.8Very low34.9Very low106 Ų106133.4 Ų133.474%0.74176%0.762SS**  cis-178.8-165.4-9.259.90000107.4
636C29.3Very low34.9Very low96 Ų96132.8 Ų132.865%0.64975%0.753SS**  cis-166.1159.7-7.2-138.50000111
637I30.3Very low34.8Very low155 Ų155135.1 Ų135.180%0.79575%0.752SS**  trans61.7139.4147-67.9160.5000120.1
638S30.2Very low34.2Very low88 Ų88139.1 Ų139.162%0.61575%0.753SS**  cis-178.1143.6-25.366.80000113.6
639N30.8Very low34.8Very low153 Ų153135.5 Ų135.582%0.81875%0.75SS**  trans54.7175134.8-76.1-4.9000123.4
640P53.2Low34.8Very low110 Ų110135 Ų13571%0.71474%0.739SS**  cis-139.3167.8-36.836.5-19.2000117
641R29.2Very low34Very low234 Ų234138.3 Ų138.388%0.88375%0.749SS**  trans168.1157.6145.1-96-178.6175.7-174.2-2110.7
642S36.2Very low34.2Very low102 Ų102139 Ų13971%0.71375%0.747SS**  cis89.1123.510.1-48.90000115.8
643E31Very low34.2Very low178 Ų178142.4 Ų142.483%0.83276%0.757SS**  cis-151-172.40.7-50.2-173.536.400109.5
644G31.3Very low33.6Very low65 Ų65142.7 Ų142.767%0.6776%0.756SS**  cis169.4171.3-0.300000114.8
645F32.4Very low33.9Very low179 Ų179141.6 Ų141.679%0.78576%0.757SS**  trans60.4130.3163.2-73.7-74.7000124.9
646Q33.7Very low34.1Very low145 Ų145143.2 Ų143.268%0.67876%0.762SS**  trans63.1143.4151.7-64.6-175.239.700118.5
647K32Very low34.5Very low182 Ų182148.3 Ų148.379%0.79177%0.773SS**  cis-158.5160.920.3-134.9157.1-175.9144.70111.7
648R35.6Very low34.8Very low196 Ų196145.8 Ų145.874%0.7478%0.776SS**  trans-93.7163.8167.8-126.7-176.3-166-177.815.9109.8D650R648-D650 WeakPolarHBondContact CD-OD2 3.28Å; R648-D650 IonicContact CZ-OD1 3.43Å; R648-D650 IonicContact CZ-OD2 3.36Å; R648-D650 IonicContact NE-OD1 3.8Å; R648-D650 PolarHBondContact NE-OD1 3.28Å; R648-D650 VanDerWaalsContact NE-OD1 3.16Å; R648-D650 IonicContact NE-OD2 2.74Å; R648-D650 PolarHBondContact NE-OD2 2.9Å; R648-D650 IonicContact NH1-OD1 3.99Å; R648-D650 IonicContact NH1-OD2 3.22Å; R648-D650 PolarHBondContact NH1-OD2 3.19Å; R648-D650 IonicContact NH2-OD1 2.8Å
649P42.8Very low35.1Very low125 Ų125149.2 Ų149.281%0.81279%0.786SS**  -143.2166.766.639.8-22.3000117
650D34.1Very low35.3Very low94 Ų94151.7 Ų151.750%0.50379%0.789SS.*  trans-87.6153.7175.6-33.5-93.4000112R648R648-D650 WeakPolarHBondContact CD-OD2 3.28Å; R648-D650 IonicContact CZ-OD1 3.43Å; R648-D650 IonicContact CZ-OD2 3.36Å; R648-D650 IonicContact NE-OD1 3.8Å; R648-D650 PolarHBondContact NE-OD1 3.28Å; R648-D650 VanDerWaalsContact NE-OD1 3.16Å; R648-D650 IonicContact NE-OD2 2.74Å; R648-D650 PolarHBondContact NE-OD2 2.9Å; R648-D650 IonicContact NH1-OD1 3.99Å; R648-D650 IonicContact NH1-OD2 3.22Å; R648-D650 PolarHBondContact NH1-OD2 3.19Å; R648-D650 IonicContact NH2-OD1 2.8Å
651L32.8Very low34.6Very low182 Ų182151 Ų15195%0.95379%0.787SS**  trans-142.2114.2153.6-83.7-174.7000111.4
652H32.5Very low35.3Very low168 Ų168145.5 Ų145.578%0.77878%0.782SS**  trans-78.2142.1166.4-92.1-114.4000111
653L32.8Very low35.5Very low177 Ų177148.5 Ų148.593%0.92778%0.784SS**  trans-138145.8146.4-82.5-177.9000110.7
654V36.2Very low35.8Very low112 Ų112148.8 Ų148.868%0.67979%0.785SS**PPolyproline II helixtrans-100.1143.3-171.7175.50000110.4V656V654-V656 PolarHBondContact O-N 3.17Å
655P33.9Very low36.2Very low126 Ų126151.6 Ų151.682%0.81879%0.789SS**PPolyproline II helixtrans-64.9119.9176-20.533000112.6
656V35.9Very low36.6Very low141 Ų141150.3 Ų150.386%0.85579%0.79SS**PPolyproline II helixtrans-93.6135.6173.91800000110V654V654-V656 PolarHBondContact O-N 3.17Å
657K36.8Very low36.8Very low203 Ų203152 Ų15288%0.88380%0.8SS**PPolyproline II helixtrans-77.3137.4178.5-63.7176.9-179.6176.10111.3
658A37.4Very low37Very low102 Ų102146.1 Ų146.184%0.84379%0.791SS**  trans-123.6161.7163.700000110.4
659L36.4Very low37.3Very low159 Ų159143.1 Ų143.183%0.83280%0.795SS**  trans-130.7143.6-164.9-83.8156.1000112.5
660K35.5Very low37Very low205 Ų205146.1 Ų146.189%0.89180%0.798SS**  trans76.9160166.2-60.2172-178.4178.70117
661S38.6Very low37.1Very low96 Ų96149.5 Ų149.567%0.67181%0.814SS**  trans-97.5178.8-16955.30000113.2
662P44.1Very low37.5Very low119 Ų119148.7 Ų148.777%0.77381%0.809SS**  -127.3162.712037-32.2000113.8
663H39.4Very low37.8Very low164 Ų164149 Ų14976%0.75981%0.81SS**  trans-79.4151.7170.6-69-116.7000111
664H37.4Very low38.2Very low184 Ų184146.5 Ų146.585%0.85281%0.805SS**  trans-139.2138.8148.4-98.9-81.2000112
665V39.7Very low38.1Very low125 Ų125152.2 Ų152.276%0.75881%0.814SS**  trans-116.5146.11701720000106.6
666L40.3Very low38.5Very low151 Ų151152.5 Ų152.579%0.79181%0.814SS**  trans173.9116.3149.5-93.3161.6000106.5
667M38.3Very low38.7Very low180 Ų180156.9 Ų156.989%0.88782%0.815SS**  73.8148.4100.3-78.2-67.1-166.100115.2
668G37.1Very low38.6Very low59 Ų59152.4 Ų152.461%0.60881%0.809SS**  trans-159.2-159.6-175.600000113.5
669T41.5Very low38.3Very low133 Ų133153.5 Ų153.582%0.81681%0.811SS**  trans69.1130.1-168.375.20000115.1
670H36.8Very low38.2Very low189 Ų189149.6 Ų149.688%0.87580%0.802SS**  trans-154.2138.8131.6-92.6-61.1000108.1
671I36.6Very low38.1Very low164 Ų164147.5 Ų147.584%0.84180%0.799SS**  trans-107.2132.9177.7-63.8170.9000107.2
672I40Very low37.6Very low166 Ų166147.4 Ų147.485%0.85180%0.799SS**  trans-88.3124.8179.5-60.1178.2000109.4
673Q39Very low37Very low173 Ų173150.9 Ų150.981%0.80880%0.802SS**  trans-105.3129.2178.6-173179.416.500109.9
674P40.4Very low36.4Very low125 Ų125148.9 Ų148.981%0.81281%0.806SS**  trans-71143.8178.129.3-34.3000111.5
675R34.7Very low36.4Very low232 Ų232144.5 Ų144.588%0.87580%0.797SS**  trans-115.9110.9-169.7-176.8176.6-177.3149.6-3.4111.2
676T41.8Very low36Very low133 Ų133145.3 Ų145.382%0.81680%0.797SS**  trans-78.4141.5171.849.90000111.5
677R41.3Very low36Very low232 Ų232143.3 Ų143.388%0.87580%0.795SS**  trans-154.9152.4150.1-81.6-142.9168.1-167-5.1111
678S33.8Very low36.1Very low109 Ų109142.1 Ų142.176%0.76279%0.793SS**  trans-126.4177.7175.5-51.30000109.4
679S32.6Very low36.3Very low125 Ų125144.9 Ų144.987%0.87480%0.802SS**  trans78.6155.8174.7-480000116.3
680A33.8Very low36.3Very low78 Ų78144.1 Ų144.165%0.64580%0.801SS**  cis-178.9158.8-31.500000109
681L33.4Very low36.2Very low160 Ų160142.3 Ų142.384%0.83880%0.798SS**  trans70.3153.8171.3-39.8176.3000114.4
682S28.6Very low36.5Very low94 Ų94139.4 Ų139.466%0.65779%0.788SS**  cis-151.313912.8-85.80000114.2
683F30Very low36.2Very low192 Ų192140.3 Ų140.384%0.84279%0.789SS**  trans39.9155.6137.5-60-73.3000126.9
684S27.4Very low35.9Very low122 Ų122143.2 Ų143.285%0.85379%0.792SS**  trans97.6133156.4-156.10000117.8
685S36.2Very low36.3Very low93 Ų93141.9 Ų141.965%0.6578%0.784SS**  cis-166.8175.3-22.1-160.90000112.2
686D32.2Very low36.1Very low142 Ų142135.5 Ų135.576%0.75978%0.775SS**  trans90.7137.4148.8-57.8-16.5000124.8
687S41.4Very low35.6Very low108 Ų108134.3 Ų134.376%0.75577%0.771SS**  trans83.576151.759.10000123.6
688D38.8Very low35.1Very low156 Ų156128.5 Ų128.583%0.83477%0.767SS**  56.2148.6115-64.3-25.4000127
689S41.9Very low34.9Very low116 Ų116132 Ų13281%0.81177%0.771SS**  trans77.1132.2159.776.80000118
690C41.3Very low34.8Very low117 Ų117133 Ų13379%0.79177%0.771SS**  cis-132143.3-7.8-73.30000108.9
691N34.8Very low34.6Very low151 Ų151135.1 Ų135.181%0.80778%0.776SS**  54.3129.683.1-1183.9000113.7
692V43Very low34.3Very low103 Ų103132.5 Ų132.562%0.62477%0.77SS**  cis-150.5145.627.8-176.40000112.9
693E33.3Very low34.4Very low186 Ų186133.5 Ų133.587%0.86978%0.777SS**  trans65.5155.6155.5-77.1164.9-153.600126.6
694R33.6Very low34.3Very low233 Ų233134.7 Ų134.788%0.87978%0.776SS**  trans-144.9169.8178-137.9-168.1167.8-172.4-2.5104.1
695P47.8Very low34.6Very low98 Ų98136 Ų13664%0.63677%0.774SS**  cis-148.7175.312.842.4-20.7000119.2
696S30.6Very low34.5Very low98 Ų98140.7 Ų140.769%0.68579%0.785SS**  trans45.2123.714264.20000122.1
697S31.1Very low34.4Very low107 Ų107137.2 Ų137.275%0.74878%0.776SS**  153.3146.297.860.60000114.3
698S30.7Very low34Very low111 Ų111139.8 Ų139.878%0.77678%0.781SS**  trans56.2148.8143.3-60.40000124
699Q29.8Very low33.7Very low183 Ų183136.4 Ų136.486%0.85578%0.775SS**  trans65119.9161.9-72.7-177.4-20.200119.7
700T30.3Very low33.1Very low144 Ų144136.6 Ų136.688%0.88378%0.777SS**  trans-125.7125.114944.20000109.3
701V29.4Very low32.6Very low123 Ų123136.7 Ų136.775%0.74577%0.769SS**  trans-143.3143.8177168.80000107.9
702C27Very low32.6Very low106 Ų106137.3 Ų137.372%0.71677%0.765SS**  trans65.2105.4170.3-76.70000119.7
703S30.8Very low32Very low114 Ų114139.8 Ų139.880%0.79777%0.771SS**  61.8153105.2-51.30000122.5
704R28.7Very low31.7Very low217 Ų217137.9 Ų137.982%0.81976%0.763SS**  trans110.9105.9135.6-160.8-160.4-164.4148.45.6117.3
705N32.9Very low31.5Very low150 Ų150133.8 Ų133.880%0.80275%0.753SS**  -176.8165.6115.3-93.1-33.2000112.8
706Q34.2Very low30.6Very low192 Ų192133.9 Ų133.990%0.89776%0.756SS**  trans-111.1-179.2176.5-54.8170.7-12.500108.4
707A31Very low30.5Very low69 Ų69134 Ų13457%0.5776%0.758SS**  cis-162.315713.200000113.3
708N32.4Very low30.3Very low161 Ų161134.4 Ų134.486%0.86176%0.759SS**  trans65.9152.5146.9-55.2-10.4000119.5
709A32.9Very low30.3Very low85 Ų85133.8 Ų133.870%0.70276%0.76SS**  cis-150.2169.810.700000114.2
710S29.8Very low30.1Very low121 Ų121134.1 Ų134.185%0.84676%0.762SS**  trans71.5151.2169.580.40000116.5
711D29.9Very low30.2Very low119 Ų119132.6 Ų132.664%0.63676%0.757SS**  cis-152.7159.41.9-158.510.3000112
712K34.4Very low30.1Very low164 Ų164132.9 Ų132.971%0.71376%0.759SS**  trans48.4119163.7-71.8172.9-172.9850120.5
713M32.2Very low30.1Very low154 Ų154132.6 Ų132.676%0.75976%0.758SS**  7997.179.1-161.7171.7-170.900113.1
714E27Very low29.8Very low147 Ų147133.1 Ų133.169%0.68776%0.756SS**  66.314695.1-63.8-165.6126.400115.7
715Q29Very low29.8Very low146 Ų146128.1 Ų128.168%0.68275%0.754SS**  cis-163.5157.4-12.7-113.5-166.760.200109.4
716S29.6Very low29.5Very low100 Ų100130 Ų13070%0.69975%0.75SS**  trans54.7-180152.673.50000118.4
717S27.9Very low29.3Very low102 Ų102126 Ų12671%0.71374%0.744SS**  cis-150.9172.62.2-16.40000112.6
718C26.9Very low29.3Very low114 Ų114128.5 Ų128.577%0.7774%0.743SS**  trans-36.4152.8160.2-54.10000114.9
719A31Very low29.2Very low98 Ų98128.2 Ų128.281%0.8174%0.735SS**  cis67.670.22500000115.8
720E25.4Very low29.1Very low191 Ų191132.6 Ų132.689%0.89374%0.738SS**  trans-150.9160.3156-143.6170.2-161.700112.6
721S31.4Very low29.1Very low111 Ų111134 Ų13478%0.77674%0.736SS**  trans-127.8132.9-169.452.90000112.4
722V26.9Very low29.1Very low129 Ų129133.5 Ų133.578%0.78274%0.742SS**  trans-141.488.4-176.4-170.10000113.7
723S28Very low29.7Very low101 Ų101131.1 Ų131.171%0.70674%0.743SS**  trans29.8172.5130.466.40000125.6
724V24.7Very low29.8Very low125 Ų125134.6 Ų134.676%0.75875%0.747SS**  trans71.3150.7169.7-125.10000115.6
725S28.5Very low29.8Very low111 Ų111133.4 Ų133.478%0.77675%0.746SS**  cis-159.7173.820.5-71.60000112.5
726R27.2Very low30.1Very low191 Ų191137.3 Ų137.372%0.72175%0.754SS**  cis176.895.7-31.1-175.7-14182.2179.711.8113.5E728R726-E728 IonicContact CZ-OE1 3.57Å; R726-E728 IonicContact NH2-OE1 2.72Å; R726-E728 PolarHBondContact NH2-OE1 3.17Å
727S29.2Very low30.1Very low108 Ų108138.1 Ų138.176%0.75576%0.76SS**  trans-149.9117.5169.3550000113
728E30.3Very low30.5Very low121 Ų121142 Ų14257%0.56577%0.766SS**  68.8134.282.5-73.1-173.8-13600114.3R726R726-E728 IonicContact CZ-OE1 3.57Å; R726-E728 IonicContact NH2-OE1 2.72Å; R726-E728 PolarHBondContact NH2-OE1 3.17Å
729K30.3Very low30.8Very low155 Ų155143.4 Ų143.467%0.67477%0.771SS**  cis-166.416031.6-133.8179.4-164.883.80112.3
730K31.2Very low30.8Very low177 Ų177142.3 Ų142.377%0.7777%0.77SS**  trans70.1149.1157.8-71.8177.2179-1790117.5
731N30.1Very low31Very low150 Ų150136.9 Ų136.980%0.80276%0.764SS**  cis-136.6-175.85.6-88.6-37.2000112
732S29Very low31Very low109 Ų109142 Ų14276%0.76277%0.773SS**  trans-144.7-171.7-176.969.80000111
733P48.3Very low31.1Very low113 Ų113142 Ų14273%0.73478%0.779SS**  cis-132.8-160.7-23.835.9-15.4000113.2
734R33.3Very low31.5Very low228 Ų228141.6 Ų141.686%0.8678%0.782SS**  trans88.7143.6169.4-67.7-164.4174.8175.1-1.7117.5
735D28.3Very low31.8Very low121 Ų121144.7 Ų144.765%0.64779%0.788SS**  cis-152.1-172.5-14.1-135.2-58.7000112.1
736R33.6Very low32.1Very low229 Ų229145.5 Ų145.586%0.86479%0.793SS**  trans-53.4163.3178.1-62.8156.2174.6-169.6-2.3114.1
737S31.5Very low32.2Very low117 Ų117142.9 Ų142.982%0.81880%0.799SS**  cis-158-179.435.259.80000116.5
738H35.2Very low32.2Very low182 Ų182143.3 Ų143.384%0.84380%0.802SS**  trans-72.4177.5-176.9-86.4-81000117.2
739V34.3Very low32.2Very low144 Ų144142.2 Ų142.287%0.87381%0.808SS**  trans93.9128.6169.3-172.50000113.6
740G31Very low32.7Very low76 Ų76145 Ų14578%0.78482%0.82SS**  cis143.288.2-5.700000113.2
741G28.7Very low33.2Very low76 Ų76145.3 Ų145.378%0.78482%0.824SS**  trans-177.8136.6175.600000112.2
742F30.6Very low33.9Very low219 Ų219142.5 Ų142.596%0.96182%0.822SS**  trans-97132.7176-65.2-93.3000110.7
743S29.1Very low34.3Very low128 Ų128144.9 Ų144.990%0.89582%0.821SS**  trans-160.4154.5140.8-1630000109.5
744A37.3Very low34.1Very low93 Ų93147.3 Ų147.377%0.76982%0.823SS**  trans-103.6134-175.100000112
745Q31.3Very low34.7Very low191 Ų191142.3 Ų142.389%0.89382%0.817SS**  trans-148.1132.4155.8-113.91758.200109.3
746S34.1Very low35.6Very low127 Ų127144.4 Ų144.489%0.88882%0.823SS**  trans-84.5118.5-173.8-52.60000111.5
747T28.8Very low36.2Very low136 Ų136140.9 Ų140.983%0.83482%0.816SS**  trans-108.8110.6161.744.10000109.3S749T747-S749 PolarHBondContact O-N 3.41Å
748S29.3Very low37Very low118 Ų118142.3 Ų142.383%0.82581%0.814SS**  trans-79.2111.6174-170.90000109.1
749S30.7Very low37.6Very low98 Ų98142.5 Ų142.569%0.68582%0.815SS**  trans-75.1128.5-177.351.30000112.5T747T747-S749 PolarHBondContact O-N 3.41Å
750F40.2Very low38.2Very low214 Ų214140.7 Ų140.794%0.93980%0.801SS**  trans-101.966168.3-113.1-83.9000109
751E42.6Very low39.2Very low182 Ų182146.6 Ų146.685%0.8581%0.808SS**  trans-151.449.9-172-155.6168.1-166.500111.7
752A43.8Very low40.4Very low92 Ų92148.3 Ų148.376%0.7680%0.803SS**SBendtrans-146.27179.900000114.4
753Q38.3Very low41.1Very low158 Ų158140.7 Ų140.774%0.73879%0.787SS**SBendtrans-138.839-173.1-156.6171.31.500113.3
754E44.1Very low42.1Very low165 Ų165140.1 Ų140.177%0.77178%0.783SS**SBendtrans-113.7-4.3164.3-68.3-169.314800112.4
755V45.6Very low42.6Very low123 Ų123142.1 Ų142.175%0.74578%0.78SS**SBendtrans-86.8-22.5-175-177.60000112.4
756E47.3Very low43.3Very low164 Ų164137.8 Ų137.877%0.76676%0.763SS**SBendtrans-91.1-14.8-178.1-156.7167-14500112.8L758E756-L758 PolarHBondContact O-N 3.19Å
757E46.7Very low44.1Very low155 Ų155138.1 Ų138.172%0.72475%0.749SS**THydrogen-bonded Turntrans-77.3-3.3174.1-62.1-163.1153.400113.5
758L47.8Very low45.4Very low148 Ų148142.9 Ų142.978%0.77575%0.751SS**THydrogen-bonded Turntrans-92.2-3-176-82.5165.9000115.1E756E756-L758 PolarHBondContact O-N 3.19Å
759E48.6Very low46.5Very low185 Ų185145 Ų14586%0.86475%0.745SS**SBendtrans-102.7-1.3175.3-63.1-163.4158.200113.9
760D45.7Very low47.7Very low107 Ų107149 Ų14957%0.57275%0.753SS**  trans-88.3107.1174.4-170.818000111.9V762 G763D760-V762 PolarHBondContact O-N 3.16Å; D760-V762 WeakPolarHBondContact OD1-CG2 3.44Å; D760-G763 PolarHBondContact O-N 3Å
761E51.8Low48.3Very low199 Ų199147.9 Ų147.993%0.9374%0.744SS**THydrogen-bonded Turntrans-67.61.1-172-152.3174.9-155.200114.3
762V54.5Low48.8Very low112 Ų112146.5 Ų146.568%0.67974%0.738SS**THydrogen-bonded Turntrans-108.74.9171.5-69.80000114.6D760 S764D760-V762 PolarHBondContact O-N 3.16Å; D760-V762 WeakPolarHBondContact OD1-CG2 3.44Å; V762-S764 PolarHBondContact O-N 2.76Å
763G46.6Very low49.1Very low60 Ų60148.6 Ų148.662%0.61973%0.731SS**  trans-68.641.8-179.200000116.8D760D760-G763 PolarHBondContact O-N 3Å
764S49.7Very low49.7Very low116 Ų116147.7 Ų147.781%0.81173%0.73SS**  trans-154.955.1178.4-82.10000114.7V762 D766V762-S764 PolarHBondContact O-N 2.76Å; S764-D766 PolarHBondContact O-N 3.22Å
765L47.5Very low49.9Very low134 Ų134144.4 Ų144.470%0.70273%0.726SS**  trans-78.2108.1156.2-69177.9000109.1F767L765-F767 VanDerWaalsContact C-N 3.28Å; L765-F767 HydrophobicContact CB-CD2 3.9Å; L765-F767 HydrophobicContact CB-CE2 3.43Å; L765-F767 VanDerWaalsContact CB-CE2 3.43Å; L765-F767 HydrophobicContact CB-CZ 3.97Å; L765-F767 HydrophobicContact CD1-CE2 3.92Å; L765-F767 HydrophobicContact CD1-CZ 4Å; L765-F767 HydrophobicContact CG-CE2 4.33Å; L765-F767 WeakPolarHBondContact O-CD2 3.47Å; L765-F767 PolarHBondContact O-N 3.45Å
766D45.9Very low50.2Low101 Ų101144 Ų14454%0.5472%0.716SS.*  trans-73.673.4-174.7-176.922.5000113.3S764 R768 K769S764-D766 PolarHBondContact O-N 3.22Å; D766-R768 PolarHBondContact O-N 3.02Å; D766-R768 WeakPolarHBondContact OD1-CB 3.35Å; D766-R768 PolarHBondContact OD1-N 3.17Å; D766-K769 IonicContact OD1-NZ 2.72Å; D766-K769 IonicContact OD2-NZ 3.76Å; D766-K769 PolarHBondContact OD2-NZ 2.9Å
767F51.4Low50.4Low134 Ų134142.9 Ų142.959%0.58871%0.714SS**  trans-76.92.9172.4-63.9-66000113.6L765 K769 Y771L765-F767 VanDerWaalsContact C-N 3.28Å; L765-F767 HydrophobicContact CB-CD2 3.9Å; L765-F767 HydrophobicContact CB-CE2 3.43Å; L765-F767 VanDerWaalsContact CB-CE2 3.43Å; L765-F767 HydrophobicContact CB-CZ 3.97Å; L765-F767 HydrophobicContact CD1-CE2 3.92Å; L765-F767 HydrophobicContact CD1-CZ 4Å; L765-F767 HydrophobicContact CG-CE2 4.33Å; L765-F767 WeakPolarHBondContact O-CD2 3.47Å; L765-F767 PolarHBondContact O-N 3.45Å; F767-K769 PolarHBondContact O-N 2.88Å; F767-Y771 HydrophobicContact CB-CD2 4.47Å; F767-Y771 HydrophobicContact CB-CE2 4.36Å; F767-Y771 HydrophobicContact CD1-CE2 4.35Å
768R56Low50.5Low236 Ų236141 Ų14189%0.89171%0.713SS**THydrogen-bonded Turntrans-7516.8-169.4-60.8-171.1173.8-144.2-0.5115.1D766D766-R768 PolarHBondContact O-N 3.02Å; D766-R768 WeakPolarHBondContact OD1-CB 3.35Å; D766-R768 PolarHBondContact OD1-N 3.17Å
769K51.3Low50.2Low161 Ų161139.3 Ų139.370%0.772%0.72SS**THydrogen-bonded Turntrans-128.6-14-171.9-63-167178.886.20117.2D766 F767D766-K769 IonicContact OD1-NZ 2.72Å; D766-K769 IonicContact OD2-NZ 3.76Å; D766-K769 PolarHBondContact OD2-NZ 2.9Å; F767-K769 PolarHBondContact O-N 2.88Å
770E56.5Low50Low182 Ų182134.6 Ų134.685%0.8571%0.708SS**SBendtrans-130.617.8-175.3-69.6-166148.800115.3
771Y53.2Low50Low191 Ų191138.9 Ų138.975%0.74972%0.721SS**  trans-117105.9172.6-69.9-74.1000111.9F767F767-Y771 HydrophobicContact CB-CD2 4.47Å; F767-Y771 HydrophobicContact CB-CE2 4.36Å; F767-Y771 HydrophobicContact CD1-CE2 4.35Å
772Q52.6Low49.5Very low154 Ų154137.7 Ų137.772%0.7272%0.72SS**  trans-65.5137.4160.3-68.8-172.6-75.700109.1E776Q772-E776 WeakPolarHBondContact CG-OE2 3.21Å; Q772-E776 PolarHBondContact NE2-OE2 3.33Å
773H49.9Very low48.9Very low135 Ų135138.4 Ų138.463%0.62573%0.727SS**  trans-67.2137.8179.7-171.7-113.3000110S775 E776H773-S775 PolarHBondContact ND1-OG 2.93Å; H773-S775 PolarHBondContact O-N 3.21Å; H773-E776 VanDerWaalsContact O-CB 3.27Å; H773-E776 WeakPolarHBondContact O-CB 3.43Å; H773-E776 PolarHBondContact O-N 3.23Å
774I50.7Low49Very low139 Ų139138.6 Ų138.671%0.71373%0.73SS**G310 helixtrans-61.2-13.4-174.442.4172.3000114.8E776I774-E776 VanDerWaalsContact C-N 3.3Å
775S49.1Very low48.4Very low97 Ų97144.3 Ų144.368%0.67874%0.735SS**G310 helixtrans-75.5-13.5169.269.20000114.5H773 L777H773-S775 PolarHBondContact ND1-OG 2.93Å; H773-S775 PolarHBondContact O-N 3.21Å; S775-L777 VanDerWaalsContact C-N 3.33Å
776E51.2Low48.1Very low115 Ų115144.7 Ų144.754%0.53774%0.743SS.*G310 helixtrans-84.2-10.2177.8-161.5168.6-132.700112Q772 H773 I774 V778Q772-E776 WeakPolarHBondContact CG-OE2 3.21Å; Q772-E776 PolarHBondContact NE2-OE2 3.33Å; H773-E776 VanDerWaalsContact O-CB 3.27Å; H773-E776 WeakPolarHBondContact O-CB 3.43Å; H773-E776 PolarHBondContact O-N 3.23Å; I774-E776 VanDerWaalsContact C-N 3.3Å; E776-V778 VanDerWaalsContact C-N 3.27Å; E776-V778 PolarHBondContact O-N 3.04Å
777L52.5Low47.6Very low139 Ų139152.2 Ų152.273%0.72878%0.778SS**SBendtrans-69.185.8166.3-74.6171.3000110.2S775 A779S775-L777 VanDerWaalsContact C-N 3.33Å; L777-A779 PolarHBondContact O-N 3.27Å
778V47.8Very low47.4Very low116 Ų116153.1 Ų153.170%0.70379%0.787SS**  trans-36.6106.7-177.1176.60000113.1E776 S780E776-V778 VanDerWaalsContact C-N 3.27Å; E776-V778 PolarHBondContact O-N 3.04Å; V778-S780 WeakPolarHBondContact CG1-OG 3.26Å; V778-S780 PolarHBondContact O-N 2.77Å
779A42.6Very low46.9Very low112 Ų112148.7 Ų148.793%0.92678%0.782SS**SBendtrans-71.425.8-175.900000115L777L777-A779 PolarHBondContact O-N 3.27Å
780S44Very low46.7Very low86 Ų86148.1 Ų148.160%0.60179%0.787SS**SBendtrans-129.955.9-171.874.20000113.8V778V778-S780 WeakPolarHBondContact CG1-OG 3.26Å; V778-S780 PolarHBondContact O-N 2.77Å
781K46.1Very low46.1Very low198 Ų198146.1 Ų146.186%0.86178%0.783SS**SBendtrans-163.89157-112.1152.9-168.3173.70118.5P783K781-P783 WeakPolarHBondContact O-CD 3.2Å
782L40Very low45.7Very low173 Ų173143.3 Ų143.391%0.90679%0.785SS**  trans-102.7109.9174.4-66.5179.6000111.3G784L782-G784 PolarHBondContact O-N 2.97Å
783P41.4Very low45.2Very low127 Ų127142.5 Ų142.583%0.82579%0.789SS**  trans-82.7105.3-178.431.6-33.2000112.2K781K781-P783 WeakPolarHBondContact O-CD 3.2Å
784G48.8Very low44.9Very low65 Ų65143.1 Ų143.167%0.6780%0.801SS**  trans85.571.6149.300000117.8L782L782-G784 PolarHBondContact O-N 2.97Å
785Y37.1Very low44.4Very low236 Ų236143.4 Ų143.493%0.92581%0.808SS**  trans-132.6123.8143.4-71.7-76.6000109
786T42.1Very low44Very low141 Ų141147.3 Ų147.387%0.86582%0.819SS**  trans-87.7150.1163.746.30000109
787M34.6Very low43.4Very low259 Ų259150.2 Ų150.2100%1.27684%0.844SS**  trans-70.60169.1-54.4-153.8-50.400111.6

Retrieved 787 of 787 residues in 78.5 ms (Link to these results)

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