G4VIB7_SCHMA Loading...

Tubulin_3 domain-containing protein

AlphaFold DB , UniProt , Accession G4VIB7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 517 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.6Very low74.7Confident238 Ų23857.5 Ų57.5100%1.17231%0.31SS*.  0106.60-77.1165.574.900105.9S3M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 2.85Å
2E45.9Very low76.7Confident185 Ų18552.7 Ų52.786%0.86428%0.284SS*.  trans-56.6106.7157.6-74.3174.5154.300104.4C4E2-C4 VanDerWaalsContact C-N 3.26Å; E2-C4 PolarHBondContact O-N 2.81Å
3S50.1Low78.3Confident77 Ų7748.6 Ų48.654%0.53826%0.262SS..  trans-60.9106.5164.768.90000103.3M1 K5 I307M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 2.85Å; S3-K5 VanDerWaalsContact C-N 3.34Å; S3-K5 PolarHBondContact O-N 3.37Å; S3-I307 WeakPolarHBondContact OG-CD1 3.48Å
4C54.4Low79.5Confident89 Ų8945.1 Ų45.160%0.60124%0.244SC*.  trans-51.3107.6173.9-86.80000106.1E2 G6E2-C4 VanDerWaalsContact C-N 3.26Å; E2-C4 PolarHBondContact O-N 2.81Å; C4-G6 PolarHBondContact O-N 2.97Å
5K69.3Low80.3Confident26 Ų2644.8 Ų44.811%0.11325%0.245CC..PPolyproline II helixtrans-61.4131.8175.8-93.3-178.2166.9159.30106.9S3 L305 I307 G311S3-K5 VanDerWaalsContact C-N 3.34Å; S3-K5 PolarHBondContact O-N 3.37Å; K5-L305 PolarHBondContact NZ-O 2.86Å; K5-I307 HydrophobicContact CD-CG1 4.06Å; K5-I307 VanDerWaalsContact CE-CG1 3.42Å; K5-I307 HydrophobicContact CG-CD1 4.45Å; K5-I307 HydrophobicContact CG-CG1 4.41Å; K5-I307 VanDerWaalsContact NZ-CG1 3.29Å; K5-G311 WeakPolarHBondContact CE-O 3.32Å; K5-G311 VanDerWaalsContact NZ-CA 3.34Å; K5-G311 PolarHBondContact NZ-O 3.02Å
6G83.1Confident81.1Confident7 Ų743.4 Ų43.47%0.07224%0.237CC..PPolyproline II helixtrans-56.4140.8174.100000111.7C4 N195C4-G6 PolarHBondContact O-N 2.97Å; G6-N195 WeakPolarHBondContact CA-OD1 3.14Å
7E92.9Very high82.1Confident4 Ų440.9 Ų40.92%0.01922%0.223CC..PPolyproline II helixtrans-87.5144.9171.4-69.6161.5114.300108.7K48 H61 C191 A192 F193E7-K48 HydrophobicContact CG-CG 4.41Å; E7-K48 WeakPolarHBondContact CG-O 3.22Å; E7-K48 VanDerWaalsContact OE1-CE 3.23Å; E7-K48 WeakPolarHBondContact OE1-CE 3.46Å; E7-K48 WeakPolarHBondContact OE1-CG 3.38Å; E7-H61 IonicContact OE1-CE1 3.49Å; E7-H61 PolarHBondContact OE1-CE1 2.92Å; E7-H61 VanDerWaalsContact OE1-CE1 3.29Å; E7-C191 HydrophobicContact CB-CB 4.08Å; E7-C191 VanDerWaalsContact OE2-C 3.29Å; E7-C191 VanDerWaalsContact OE2-CA 3.27Å; E7-C191 WeakPolarHBondContact OE2-CA 3.4Å; E7-C191 VanDerWaalsContact OE2-CB 3.31Å; E7-C191 WeakPolarHBondContact OE2-CB 3.44Å; E7-A192 WeakPolarHBondContact OE2-CA 3.32Å; E7-A192 PolarHBondContact OE2-N 2.95Å; E7-F193 PolarHBondContact N-O 3.45Å; E7-F193 PolarHBondContact OE2-N 3.12Å
8I95.3Very high82.9Confident5 Ų538.6 Ų38.63%0.02621%0.211CC..EExtended strand (participates in β ladder)trans-110.1117.7-175.7-57.7170.6000108.5V49 L50 H61 S196 Q198 S303 L314I8-V49 HydrophobicContact CB-CG1 4.34Å; I8-V49 HydrophobicContact CD1-CG1 3.69Å; I8-V49 HydrophobicContact CG1-CG1 3.81Å; I8-V49 PolarHBondContact N-O 3.45Å; I8-L50 HydrophobicContact CB-CD2 3.96Å; I8-L50 HydrophobicContact CG2-CD2 4.4Å; I8-H61 WeakPolarHBondContact O-CB 3.49Å; I8-S196 WeakPolarHBondContact CA-O 3.39Å; I8-Q198 HydrophobicContact CG2-CB 3.82Å; I8-S303 WeakPolarHBondContact CD1-OG 3.31Å; I8-L314 HydrophobicContact CD1-CB 4.41Å; I8-L314 HydrophobicContact CD1-CD2 4.48Å
9I97.6Very high83.6Confident0 Ų039.4 Ų39.40%021%0.21CC..EExtended strand (participates in β ladder)trans-86.5118.6171-60176.3000108.3L11 I187 P194 S196 F197 Q198I9-L11 HydrophobicContact CG2-CD2 4.02Å; I9-I187 HydrophobicContact CD1-CG2 4.06Å; I9-I187 HydrophobicContact CG1-CG2 3.91Å; I9-I187 HydrophobicContact CG2-CG2 4.02Å; I9-P194 HydrophobicContact CD1-CB 3.86Å; I9-S196 PolarHBondContact N-O 2.99Å; I9-F197 HydrophobicContact CB-CD1 3.81Å; I9-F197 HydrophobicContact CB-CE1 3.79Å; I9-F197 HydrophobicContact CB-CZ 4.5Å; I9-F197 HydrophobicContact CD1-CE1 3.92Å; I9-F197 HydrophobicContact CD1-CZ 3.97Å; I9-F197 HydrophobicContact CG1-CE1 4.39Å; I9-F197 HydrophobicContact CG2-CD1 4.07Å; I9-F197 HydrophobicContact CG2-CE1 3.95Å; I9-F197 CarbonylContact O-C 3.56Å; I9-F197 VanDerWaalsContact O-CA 3.29Å; I9-F197 WeakPolarHBondContact O-CA 3.47Å; I9-Q198 PolarHBondContact O-N 3.1Å
10T98.5Very high84.3Confident0 Ų037.4 Ų37.40%020%0.2CC..EExtended strand (participates in β ladder)trans-95.6112.8178.5-57.50000111W25 H61 A62 L63 Q198T10-W25 HydrophobicContact CG2-CZ2 4.22Å; T10-H61 PolarHBondContact N-O 2.93Å; T10-A62 CarbonylContact O-C 3.57Å; T10-A62 WeakPolarHBondContact O-CA 3.24Å; T10-L63 PolarHBondContact O-N 2.89Å; T10-Q198 CarbonylContact C-O 3.43Å; T10-Q198 VanDerWaalsContact CA-O 3.28Å; T10-Q198 WeakPolarHBondContact CA-O 3.38Å; T10-Q198 HydrophobicContact CG2-CB 4.41Å; T10-Q198 HydrophobicContact CG2-CG 4.48Å
11L98.8Very high84.9Confident1 Ų135.7 Ų35.71%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-97134.1168.4-53.3-174000109.1I9 L63 I184 Q198 L199 V200 L214 I218I9-L11 HydrophobicContact CG2-CD2 4.02Å; L11-L63 WeakPolarHBondContact CA-O 3.42Å; L11-L63 HydrophobicContact CD2-CB 3.85Å; L11-I184 HydrophobicContact CD1-CD1 4Å; L11-I184 HydrophobicContact CD2-CD1 4.24Å; L11-I184 HydrophobicContact CD2-CG1 4.06Å; L11-Q198 PolarHBondContact N-O 2.78Å; L11-L199 HydrophobicContact CB-CD1 4.06Å; L11-L199 CarbonylContact O-C 3.49Å; L11-L199 WeakPolarHBondContact O-CA 3.43Å; L11-V200 PolarHBondContact O-N 3.19Å; L11-L214 HydrophobicContact CB-CD1 4.45Å; L11-L214 HydrophobicContact CD1-CB 4.23Å; L11-L214 HydrophobicContact CD1-CD1 4.38Å; L11-L214 HydrophobicContact CD1-CD2 4.25Å; L11-I218 HydrophobicContact CD1-CD1 3.32Å; L11-I218 HydrophobicContact CD1-CG1 4.13Å; L11-I218 HydrophobicContact CG-CD1 4.41Å
12Q98.6Very high87.8Confident0 Ų024.3 Ų24.30%014%0.135CC..EExtended strand (participates in β ladder)trans-135.8130.5-179.760.2-162.3-61.400109.6N18 C21 L63 A64 I65 V200Q12-N18 VanDerWaalsContact CG-OD1 3.26Å; Q12-N18 WeakPolarHBondContact CG-OD1 3.31Å; Q12-N18 PolarHBondContact O-OD1 3.07Å; Q12-C21 HydrophobicContact CB-CB 4.41Å; Q12-L63 PolarHBondContact N-O 3.37Å; Q12-A64 VanDerWaalsContact CG-CA 3.4Å; Q12-A64 HydrophobicContact CG-CB 3.49Å; Q12-A64 VanDerWaalsContact CG-CB 3.49Å; Q12-A64 CarbonylContact O-C 3.24Å; Q12-A64 WeakPolarHBondContact O-CA 3.23Å; Q12-I65 PolarHBondContact O-N 3.31Å; Q12-V200 CarbonylContact C-O 3.51Å; Q12-V200 WeakPolarHBondContact CA-O 3.25Å; Q12-V200 HydrophobicContact CB-CB 4.42Å
13A98.1Very high90.1Very high0 Ų015.6 Ų15.60%09%0.094CC..EExtended strand (participates in β ladder)trans-139.1119.3-171.100000111.7I65 V200 V201 N202 F207 I210 L214A13-I65 WeakPolarHBondContact CA-O 3.24Å; A13-I65 HydrophobicContact CB-CB 4.27Å; A13-V200 PolarHBondContact N-O 2.89Å; A13-V201 HydrophobicContact CB-CG2 4.05Å; A13-V201 WeakPolarHBondContact O-CA 3.17Å; A13-N202 PolarHBondContact O-N 3.19Å; A13-N202 VanDerWaalsContact O-N 3.08Å; A13-F207 HydrophobicContact CB-CD1 4.15Å; A13-I210 HydrophobicContact CB-CG2 3.89Å; A13-L214 HydrophobicContact CB-CD1 4.37Å
14G94.4Very high92.4Very high0 Ų012 Ų120%07%0.068CC..SBendtrans106.1150.917500000114.7L16 A17 N18 I65 N202 F207G14-L16 VanDerWaalsContact C-N 3.27Å; G14-L16 PolarHBondContact O-N 3.26Å; G14-L16 VanDerWaalsContact O-N 3.14Å; G14-A17 PolarHBondContact O-N 2.89Å; G14-N18 VanDerWaalsContact O-CB 3.28Å; G14-N18 WeakPolarHBondContact O-CB 3.23Å; G14-N18 PolarHBondContact O-N 3.17Å; G14-N18 PolarHBondContact O-ND2 3.04Å; G14-I65 PolarHBondContact N-O 2.96Å; G14-I65 VanDerWaalsContact N-O 3.1Å; G14-N202 VanDerWaalsContact C-OD1 3.26Å; G14-N202 WeakPolarHBondContact CA-OD1 3.1Å; G14-N202 PolarHBondContact O-OD1 3.24Å; G14-F207 VanDerWaalsContact CA-CE1 3.44Å; G14-F207 VanDerWaalsContact CA-CG 3.47Å; G14-F207 VanDerWaalsContact N-CD1 3.29Å
15P91.9Very high94.3Very high40 Ų407.9 Ų7.926%0.264%0.04SC..Hα-helixtrans-59.7-31.9-170.4-2832.6000115.3R19 D66 V70 F207P15-R19 VanDerWaalsContact O-CB 3.31Å; P15-R19 WeakPolarHBondContact O-CB 3.08Å; P15-R19 PolarHBondContact O-N 3.18Å; P15-R19 VanDerWaalsContact O-N 3.14Å; P15-D66 WeakPolarHBondContact CA-OD2 3.44Å; P15-D66 WeakPolarHBondContact CD-OD1 3.49Å; P15-D66 WeakPolarHBondContact CG-OD1 3.38Å; P15-V70 HydrophobicContact CG-CG2 4.3Å; P15-F207 VanDerWaalsContact CD-CE2 3.42Å; P15-F207 HydrophobicContact CG-CE2 4.43Å
16L93.8Very high95.4Very high23 Ų236.7 Ų6.712%0.124%0.035CC..Hα-helixtrans-76.6-49.2-17917964.4000110.2G14 R19 V20 N202 V232 N234 M289G14-L16 VanDerWaalsContact C-N 3.27Å; G14-L16 PolarHBondContact O-N 3.26Å; G14-L16 VanDerWaalsContact O-N 3.14Å; L16-R19 PolarHBondContact O-N 2.94Å; L16-V20 PolarHBondContact O-N 3.42Å; L16-N202 WeakPolarHBondContact CB-OD1 3.11Å; L16-N202 PolarHBondContact N-OD1 3.08Å; L16-N202 VanDerWaalsContact N-OD1 3.11Å; L16-V232 HydrophobicContact CD2-CB 4.33Å; L16-V232 HydrophobicContact CD2-CG1 3.76Å; L16-V232 HydrophobicContact CG-CB 4.39Å; L16-V232 HydrophobicContact CG-CG1 3.7Å; L16-N234 HydrophobicContact CD2-CB 3.89Å; L16-M289 HydrophobicContact CD1-CE 3.48Å; L16-M289 VanDerWaalsContact CD1-CE 3.48Å; L16-M289 HydrophobicContact CD1-SD 3.85Å
17A97.8Very high95.9Very high0 Ų07.2 Ų7.20%04%0.036CC..Hα-helixtrans-57.5-49.2173.700000111.5G14 R19 V20 C21 V200 N202 V232G14-A17 PolarHBondContact O-N 2.89Å; A17-R19 VanDerWaalsContact C-N 3.27Å; A17-R19 PolarHBondContact O-N 3.4Å; A17-V20 WeakPolarHBondContact O-CB 3.3Å; A17-V20 PolarHBondContact O-N 3.24Å; A17-V20 VanDerWaalsContact O-N 3.11Å; A17-C21 WeakPolarHBondContact O-CB 3.49Å; A17-C21 PolarHBondContact O-N 2.8Å; A17-V200 HydrophobicContact CB-CG1 3.95Å; A17-V200 WeakPolarHBondContact CB-O 3.41Å; A17-N202 PolarHBondContact N-OD1 3Å; A17-V232 HydrophobicContact CB-CG2 4.33Å
18N97.1Very high95.9Very high0 Ų07.6 Ų7.60%04%0.038CC..Hα-helixtrans-61-35.3178.6-68.6-24.6000112.2Q12 G14 C21 A22 I65 D66 W114Q12-N18 VanDerWaalsContact CG-OD1 3.26Å; Q12-N18 WeakPolarHBondContact CG-OD1 3.31Å; Q12-N18 PolarHBondContact O-OD1 3.07Å; G14-N18 VanDerWaalsContact O-CB 3.28Å; G14-N18 WeakPolarHBondContact O-CB 3.23Å; G14-N18 PolarHBondContact O-N 3.17Å; G14-N18 PolarHBondContact O-ND2 3.04Å; N18-C21 PolarHBondContact O-N 2.99Å; N18-A22 WeakPolarHBondContact O-CB 3.46Å; N18-A22 PolarHBondContact O-N 3.08Å; N18-I65 PolarHBondContact ND2-O 3.15Å; N18-D66 WeakPolarHBondContact ND2-CB 3.39Å; N18-D66 PolarHBondContact ND2-OD2 3.42Å; N18-W114 HydrophobicContact CB-CD2 3.58Å; N18-W114 HydrophobicContact CB-CE3 4.05Å; N18-W114 HydrophobicContact CB-CG 3.82Å; N18-W114 HydrophobicContact CB-CH2 4.49Å; N18-W114 HydrophobicContact CB-CZ2 4.06Å; N18-W114 HydrophobicContact CB-CZ3 4.48Å
19R94.7Very high95.5Very high53 Ų538 Ų820%0.24%0.04CC..Hα-helixtrans-69.5-40.2174.7-167179.9-72.2158.3-2.9112.4P15 L16 A17 H23 C112 W114 M289P15-R19 VanDerWaalsContact O-CB 3.31Å; P15-R19 WeakPolarHBondContact O-CB 3.08Å; P15-R19 PolarHBondContact O-N 3.18Å; P15-R19 VanDerWaalsContact O-N 3.14Å; L16-R19 PolarHBondContact O-N 2.94Å; A17-R19 VanDerWaalsContact C-N 3.27Å; A17-R19 PolarHBondContact O-N 3.4Å; R19-H23 PolarHBondContact O-CD2 2.95Å; R19-C112 PolarHBondContact NH2-O 3.04Å; R19-W114 HydrophobicContact CB-CB 3.9Å; R19-W114 HydrophobicContact CG-CB 4.31Å; R19-M289 HydrophobicContact CB-CG 4.31Å; R19-M289 HydrophobicContact CG-CB 4.29Å; R19-M289 HydrophobicContact CG-CG 3.84Å
20V97.7Very high94.9Very high0 Ų011 Ų110%05%0.051CC..Hα-helixtrans-59.9-51.4171.11750000109.7L16 A17 A22 H23 F24 V232 M289 L292 A293 I296L16-V20 PolarHBondContact O-N 3.42Å; A17-V20 WeakPolarHBondContact O-CB 3.3Å; A17-V20 PolarHBondContact O-N 3.24Å; A17-V20 VanDerWaalsContact O-N 3.11Å; V20-A22 VanDerWaalsContact C-N 3.32Å; V20-A22 PolarHBondContact O-N 3.45Å; V20-H23 PolarHBondContact O-N 2.98Å; V20-H23 VanDerWaalsContact O-N 3.09Å; V20-F24 PolarHBondContact O-N 2.99Å; V20-F24 VanDerWaalsContact O-N 3.11Å; V20-V232 HydrophobicContact CG2-CG1 4.09Å; V20-M289 HydrophobicContact CG2-CB 4.18Å; V20-M289 HydrophobicContact CG2-CG 4.22Å; V20-M289 HydrophobicContact CG2-SD 3.55Å; V20-M289 VanDerWaalsContact CG2-SD 3.55Å; V20-L292 HydrophobicContact CG1-CB 3.9Å; V20-L292 HydrophobicContact CG2-CB 4.13Å; V20-L292 HydrophobicContact CG2-CD1 3.96Å; V20-A293 HydrophobicContact CG1-CB 4.36Å; V20-A293 WeakPolarHBondContact O-CB 3.31Å; V20-I296 HydrophobicContact CG1-CD1 3.66Å
21C98.2Very high94.2Very high1 Ų111.4 Ų11.41%0.0076%0.056CC..Hα-helixtrans-65.8-31.9-176.9-72.20000113.2Q12 A17 N18 H23 F24 W25 V200Q12-C21 HydrophobicContact CB-CB 4.41Å; A17-C21 WeakPolarHBondContact O-CB 3.49Å; A17-C21 PolarHBondContact O-N 2.8Å; N18-C21 PolarHBondContact O-N 2.99Å; C21-H23 PolarHBondContact O-N 3.35Å; C21-F24 CarbonylContact O-C 3.52Å; C21-F24 WeakPolarHBondContact O-CA 3.48Å; C21-F24 WeakPolarHBondContact O-CB 3.43Å; C21-F24 PolarHBondContact O-N 3.03Å; C21-W25 PolarHBondContact O-N 3.27Å; C21-V200 VanDerWaalsContact SG-CB 3.59Å
22A95.2Very high93.3Very high0 Ų013 Ų130%06%0.063CC..Hα-helixtrans-54.5-40.5172.600000111.9N18 V20 N26 W114 C117 L118N18-A22 WeakPolarHBondContact O-CB 3.46Å; N18-A22 PolarHBondContact O-N 3.08Å; V20-A22 VanDerWaalsContact C-N 3.32Å; V20-A22 PolarHBondContact O-N 3.45Å; A22-N26 PolarHBondContact O-N 3.01Å; A22-N26 PolarHBondContact O-ND2 3.39Å; A22-N26 PolarHBondContact O-OD1 3.2Å; A22-W114 HydrophobicContact CB-CE3 4.26Å; A22-C117 HydrophobicContact CB-CB 3.94Å; A22-L118 HydrophobicContact CB-CD2 3.86Å; A22-L118 HydrophobicContact CB-CG 4.1Å
23H95.5Very high92.2Very high2 Ų215.7 Ų15.71%0.0098%0.075CC..Hα-helixtrans-73.5-35.7173.9-64.9-69.1000112.9R19 V20 C21 W25 N26 L27 C286 M289 A293 C450 Q452R19-H23 PolarHBondContact O-CD2 2.95Å; V20-H23 PolarHBondContact O-N 2.98Å; V20-H23 VanDerWaalsContact O-N 3.09Å; C21-H23 PolarHBondContact O-N 3.35Å; H23-W25 VanDerWaalsContact C-N 3.31Å; H23-W25 PolarHBondContact O-N 3.16Å; H23-N26 WeakPolarHBondContact O-CB 3.47Å; H23-N26 PolarHBondContact O-N 3.32Å; H23-L27 PolarHBondContact O-N 2.94Å; H23-L27 VanDerWaalsContact O-N 3.17Å; H23-C286 PolarHBondContact NE2-O 3.5Å; H23-M289 VanDerWaalsContact CD2-CB 3.49Å; H23-M289 WeakPolarHBondContact CD2-CB 3.22Å; H23-A293 HydrophobicContact CB-CB 3.63Å; H23-C450 PolarHBondContact CE1-SG 2.9Å; H23-Q452 PolarHBondContact ND1-OE1 2.88Å
24F96.8Very high90.9Very high1 Ų117.3 Ų17.30%0.0048%0.084CC..Hα-helixtrans-59.5-44.5174.2170.4-96.3000111.1V20 C21 N26 L27 Q28 L50 A293 I296 D297V20-F24 PolarHBondContact O-N 2.99Å; V20-F24 VanDerWaalsContact O-N 3.11Å; C21-F24 CarbonylContact O-C 3.52Å; C21-F24 WeakPolarHBondContact O-CA 3.48Å; C21-F24 WeakPolarHBondContact O-CB 3.43Å; C21-F24 PolarHBondContact O-N 3.03Å; F24-N26 VanDerWaalsContact C-N 3.34Å; F24-N26 PolarHBondContact O-N 3.13Å; F24-L27 WeakPolarHBondContact O-CB 3.31Å; F24-L27 PolarHBondContact O-N 2.93Å; F24-L27 VanDerWaalsContact O-N 3.15Å; F24-Q28 HydrophobicContact CD1-CG 4.07Å; F24-Q28 HydrophobicContact CE1-CG 3.66Å; F24-Q28 HydrophobicContact CE2-CG 4.38Å; F24-Q28 HydrophobicContact CZ-CG 3.84Å; F24-Q28 WeakPolarHBondContact O-CG 3.21Å; F24-Q28 PolarHBondContact O-N 3.28Å; F24-Q28 PolarHBondContact O-NE2 2.73Å; F24-L50 HydrophobicContact CE1-CD1 4.21Å; F24-L50 HydrophobicContact CZ-CD1 3.87Å; F24-A293 HydrophobicContact CB-CB 3.96Å; F24-A293 VanDerWaalsContact N-CB 3.3Å; F24-I296 HydrophobicContact CD2-CB 4.4Å; F24-I296 HydrophobicContact CD2-CG2 4.08Å; F24-I296 HydrophobicContact CE2-CG2 4.09Å; F24-D297 HydrophobicContact CD2-CB 4.17Å; F24-D297 HydrophobicContact CE2-CB 4.18Å
25W95.4Very high89.5Confident2 Ų222 Ų221%0.00810%0.104CC..Hα-helixtrans-69-30.9178.4-72109.7000112.8T10 C21 H23 L27 Q28 E29 L50 F51 P60 A62 L118 W126T10-W25 HydrophobicContact CG2-CZ2 4.22Å; C21-W25 PolarHBondContact O-N 3.27Å; H23-W25 VanDerWaalsContact C-N 3.31Å; H23-W25 PolarHBondContact O-N 3.16Å; W25-L27 VanDerWaalsContact C-N 3.31Å; W25-L27 PolarHBondContact O-N 3.16Å; W25-Q28 HydrophobicContact CE3-CB 4.12Å; W25-Q28 HydrophobicContact CE3-CG 4.13Å; W25-Q28 HydrophobicContact CZ3-CG 4.42Å; W25-Q28 PolarHBondContact O-N 3.07Å; W25-E29 WeakPolarHBondContact O-CB 3.29Å; W25-E29 PolarHBondContact O-N 2.94Å; W25-L50 HydrophobicContact CH2-CB 4.35Å; W25-L50 HydrophobicContact CZ3-CB 4.33Å; W25-F51 HydrophobicContact CE3-CE1 4Å; W25-F51 AromaticContact CE3-CZ 3.86Å; W25-F51 HydrophobicContact CE3-CZ 3.86Å; W25-F51 HydrophobicContact CZ3-CD1 4.4Å; W25-F51 AromaticContact CZ3-CE1 3.74Å; W25-F51 HydrophobicContact CZ3-CE1 3.74Å; W25-F51 HydrophobicContact CZ3-CE2 4.32Å; W25-F51 AromaticContact CZ3-CZ 3.7Å; W25-F51 HydrophobicContact CZ3-CZ 3.7Å; W25-P60 HydrophobicContact CE3-CB 4.08Å; W25-P60 HydrophobicContact CH2-CB 3.77Å; W25-P60 HydrophobicContact CZ2-CB 4.41Å; W25-P60 HydrophobicContact CZ3-CB 3.58Å; W25-A62 HydrophobicContact CH2-CB 3.91Å; W25-A62 HydrophobicContact CZ2-CB 3.38Å; W25-L118 HydrophobicContact CB-CD2 4.39Å; W25-W126 HydrophobicContact CB-CZ2 4.03Å; W25-W126 AromaticContact CD1-CH2 3.52Å; W25-W126 AromaticContact CD1-CZ2 3.2Å; W25-W126 AromaticContact CD2-CZ2 3.87Å; W25-W126 HydrophobicContact CD2-CZ2 3.87Å; W25-W126 AromaticContact CE2-CZ2 3.96Å; W25-W126 HydrophobicContact CG-CH2 4.19Å; W25-W126 AromaticContact CG-CZ2 3.43Å; W25-W126 HydrophobicContact CG-CZ2 3.43Å; W25-W126 VanDerWaalsContact CG-CZ2 3.43Å; W25-W126 AromaticContact NE1-CH2 3.79Å; W25-W126 AromaticContact NE1-CZ2 3.53Å
26N93Very high87.8Confident2 Ų224.4 Ų24.41%0.01112%0.122CC..Hα-helixtrans-63.3-36.9170.1-64.6-19.1000112.5A22 H23 F24 Y30 C117 L118 S119 T435 I437 Q452A22-N26 PolarHBondContact O-N 3.01Å; A22-N26 PolarHBondContact O-ND2 3.39Å; A22-N26 PolarHBondContact O-OD1 3.2Å; H23-N26 WeakPolarHBondContact O-CB 3.47Å; H23-N26 PolarHBondContact O-N 3.32Å; F24-N26 VanDerWaalsContact C-N 3.34Å; F24-N26 PolarHBondContact O-N 3.13Å; N26-Y30 VanDerWaalsContact O-CB 3.29Å; N26-Y30 WeakPolarHBondContact O-CB 3.38Å; N26-Y30 PolarHBondContact O-N 3.31Å; N26-Y30 VanDerWaalsContact O-N 3.11Å; N26-C117 PolarHBondContact ND2-O 3.4Å; N26-L118 WeakPolarHBondContact OD1-CA 3.5Å; N26-S119 PolarHBondContact OD1-N 2.71Å; N26-T435 HydrophobicContact CB-CG2 4.27Å; N26-I437 HydrophobicContact CB-CD1 4.4Å; N26-Q452 PolarHBondContact ND2-NE2 2.83Å; N26-Q452 VanDerWaalsContact ND2-NE2 3.13Å; N26-Q452 PolarHBondContact ND2-OE1 2.99Å
27L92.9Very high85.8Confident17 Ų1732 Ų329%0.08915%0.149CC..Hα-helixtrans-65.6-46.8173.6-64.7169.5000110.5H23 F24 W25 Y30 G31 A293 D297 L433 Q434 T435H23-L27 PolarHBondContact O-N 2.94Å; H23-L27 VanDerWaalsContact O-N 3.17Å; F24-L27 WeakPolarHBondContact O-CB 3.31Å; F24-L27 PolarHBondContact O-N 2.93Å; F24-L27 VanDerWaalsContact O-N 3.15Å; W25-L27 VanDerWaalsContact C-N 3.31Å; W25-L27 PolarHBondContact O-N 3.16Å; L27-Y30 PolarHBondContact O-N 2.67Å; L27-G31 PolarHBondContact O-N 3.02Å; L27-G31 VanDerWaalsContact O-N 3.08Å; L27-A293 HydrophobicContact CD1-CB 4.42Å; L27-D297 HydrophobicContact CD1-CB 4.11Å; L27-L433 HydrophobicContact CD2-CB 4.02Å; L27-Q434 WeakPolarHBondContact CD2-O 3.49Å; L27-T435 HydrophobicContact CD2-CG2 3.61Å; L27-T435 HydrophobicContact CG-CG2 4.22Å
28Q92.7Very high83.5Confident12 Ų1234.1 Ų34.16%0.05616%0.161CC..Hα-helixtrans-62.8-46.9-178.7-62-32.1-66.800112F24 W25 G31 F32 L50 F51 D297F24-Q28 HydrophobicContact CD1-CG 4.07Å; F24-Q28 HydrophobicContact CE1-CG 3.66Å; F24-Q28 HydrophobicContact CE2-CG 4.38Å; F24-Q28 HydrophobicContact CZ-CG 3.84Å; F24-Q28 WeakPolarHBondContact O-CG 3.21Å; F24-Q28 PolarHBondContact O-N 3.28Å; F24-Q28 PolarHBondContact O-NE2 2.73Å; W25-Q28 HydrophobicContact CE3-CB 4.12Å; W25-Q28 HydrophobicContact CE3-CG 4.13Å; W25-Q28 HydrophobicContact CZ3-CG 4.42Å; W25-Q28 PolarHBondContact O-N 3.07Å; Q28-G31 PolarHBondContact O-N 2.77Å; Q28-F32 PolarHBondContact O-N 3.16Å; Q28-L50 HydrophobicContact CG-CD1 3.79Å; Q28-F51 HydrophobicContact CB-CE2 3.71Å; Q28-F51 HydrophobicContact CB-CZ 3.57Å; Q28-D297 PolarHBondContact NE2-OD2 2.9Å
29E87.2Confident81.2Confident14 Ų1441.9 Ų41.97%0.06520%0.203CC..Hα-helixtrans-61.4-48179.4-174.2-160.3179.600111.2W25 G31 F32 F33 S119 L121 A122W25-E29 WeakPolarHBondContact O-CB 3.29Å; W25-E29 PolarHBondContact O-N 2.94Å; E29-G31 VanDerWaalsContact C-N 3.28Å; E29-G31 PolarHBondContact O-N 2.86Å; E29-F32 WeakPolarHBondContact O-CB 3.39Å; E29-F32 PolarHBondContact O-N 3.07Å; E29-F32 VanDerWaalsContact O-N 3.13Å; E29-F33 HydrophobicContact CG-CD2 3.71Å; E29-F33 HydrophobicContact CG-CE2 3.5Å; E29-F33 VanDerWaalsContact CG-CE2 3.5Å; E29-F33 WeakPolarHBondContact O-CD2 3.48Å; E29-F33 PolarHBondContact O-N 3.44Å; E29-S119 VanDerWaalsContact CD-OG 3.23Å; E29-S119 PolarHBondContact OE1-OG 3.44Å; E29-S119 VanDerWaalsContact OE2-CB 3.27Å; E29-S119 WeakPolarHBondContact OE2-CB 3.41Å; E29-S119 PolarHBondContact OE2-OG 2.99Å; E29-L121 WeakPolarHBondContact OE1-CB 3.43Å; E29-L121 VanDerWaalsContact OE1-CD2 3.29Å; E29-L121 WeakPolarHBondContact OE1-CD2 3.29Å; E29-L121 WeakPolarHBondContact OE1-CG 3.46Å; E29-A122 PolarHBondContact OE1-N 3.06Å; E29-A122 WeakPolarHBondContact OE2-CB 3.33Å; E29-A122 PolarHBondContact OE2-N 3.02Å
30Y85.5Confident78.8Confident62 Ų6244.7 Ų44.724%0.24322%0.219CC..Hα-helixtrans-58.4-44.2178.4176.9-97.8000111.5N26 L27 N34 Q434N26-Y30 VanDerWaalsContact O-CB 3.29Å; N26-Y30 WeakPolarHBondContact O-CB 3.38Å; N26-Y30 PolarHBondContact O-N 3.31Å; N26-Y30 VanDerWaalsContact O-N 3.11Å; L27-Y30 PolarHBondContact O-N 2.67Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.35Å; Y30-N34 WeakPolarHBondContact O-CB 3.28Å; Y30-N34 PolarHBondContact O-N 3.43Å; Y30-N34 PolarHBondContact OH-ND2 3.03Å; Y30-Q434 HydrophobicContact CD1-CB 3.61Å; Y30-Q434 WeakPolarHBondContact CD1-O 3.39Å; Y30-Q434 HydrophobicContact CE1-CB 3.18Å; Y30-Q434 HydrophobicContact CE1-CG 4.22Å; Y30-Q434 VanDerWaalsContact CE1-OE1 3.25Å; Y30-Q434 PolarHBondContact OH-OE1 2.72Å
31G82Confident76.4Confident10 Ų1051.1 Ų51.110%0.10326%0.262CS..Hα-helixtrans-57.8-50.2173.700000112.1L27 Q28 E29 F33 N34 K35 Y47L27-G31 PolarHBondContact O-N 3.02Å; L27-G31 VanDerWaalsContact O-N 3.08Å; Q28-G31 PolarHBondContact O-N 2.77Å; E29-G31 VanDerWaalsContact C-N 3.28Å; E29-G31 PolarHBondContact O-N 2.86Å; G31-F33 VanDerWaalsContact C-N 3.32Å; G31-F33 PolarHBondContact O-N 3.01Å; G31-N34 PolarHBondContact O-N 3Å; G31-K35 PolarHBondContact O-N 3.35Å; G31-K35 VanDerWaalsContact O-N 3.11Å; G31-Y47 WeakPolarHBondContact CA-OH 3.31Å; G31-Y47 PolarHBondContact O-OH 3.13Å; G31-Y47 VanDerWaalsContact O-OH 3.07Å
32F80.4Confident74.5Confident33 Ų3356.8 Ų56.815%0.14529%0.288CS..Hα-helixtrans-56.3-45.9-177.9-176.5-83.4000111.7Q28 E29 K35 Y47 F51 D53 P58Q28-F32 PolarHBondContact O-N 3.16Å; E29-F32 WeakPolarHBondContact O-CB 3.39Å; E29-F32 PolarHBondContact O-N 3.07Å; E29-F32 VanDerWaalsContact O-N 3.13Å; F32-K35 WeakPolarHBondContact O-CB 3.22Å; F32-Y47 HydrophobicContact CB-CD1 3.89Å; F32-Y47 HydrophobicContact CB-CE1 3.93Å; F32-Y47 HydrophobicContact CB-CG 4.34Å; F32-Y47 AromaticContact CD2-CD1 3.82Å; F32-Y47 HydrophobicContact CD2-CD1 3.82Å; F32-Y47 HydrophobicContact CD2-CD2 4.27Å; F32-Y47 AromaticContact CD2-CG 3.62Å; F32-Y47 HydrophobicContact CD2-CG 3.62Å; F32-Y47 HydrophobicContact CE2-CG 4.39Å; F32-Y47 HydrophobicContact CG-CD1 4.35Å; F32-Y47 HydrophobicContact CG-CG 4.41Å; F32-Y47 VanDerWaalsContact N-CE1 3.32Å; F32-Y47 VanDerWaalsContact N-CZ 3.27Å; F32-Y47 PolarHBondContact N-OH 3.15Å; F32-F51 HydrophobicContact CD2-CD2 4.29Å; F32-D53 HydrophobicContact CE2-CB 4.17Å; F32-D53 HydrophobicContact CZ-CB 4.49Å; F32-P58 HydrophobicContact CD1-CB 3.93Å; F32-P58 HydrophobicContact CD1-CG 3.58Å; F32-P58 HydrophobicContact CD2-CB 3.99Å; F32-P58 HydrophobicContact CD2-CG 4.48Å; F32-P58 HydrophobicContact CE1-CB 3.71Å; F32-P58 HydrophobicContact CE1-CG 3.6Å; F32-P58 HydrophobicContact CE2-CB 3.79Å; F32-P58 HydrophobicContact CG-CB 4.08Å; F32-P58 HydrophobicContact CG-CG 4.07Å; F32-P58 HydrophobicContact CZ-CB 3.65Å; F32-P58 HydrophobicContact CZ-CG 4.1Å
33F75.9Confident73.3Confident57 Ų5758.6 Ų58.625%0.2530%0.296CS..Hα-helixtrans-76.2-28.5-178.9-71.3-67.7000113.4E29 G31 K35 S36 P58 L121 I125E29-F33 HydrophobicContact CG-CD2 3.71Å; E29-F33 HydrophobicContact CG-CE2 3.5Å; E29-F33 VanDerWaalsContact CG-CE2 3.5Å; E29-F33 WeakPolarHBondContact O-CD2 3.48Å; E29-F33 PolarHBondContact O-N 3.44Å; G31-F33 VanDerWaalsContact C-N 3.32Å; G31-F33 PolarHBondContact O-N 3.01Å; F33-K35 VanDerWaalsContact C-N 3.34Å; F33-S36 PolarHBondContact O-N 3.26Å; F33-S36 PolarHBondContact O-OG 3.06Å; F33-P58 HydrophobicContact CE2-CG 4.21Å; F33-P58 HydrophobicContact CZ-CG 3.82Å; F33-L121 HydrophobicContact CD2-CD2 3.85Å; F33-L121 HydrophobicContact CE1-CD2 4.13Å; F33-L121 HydrophobicContact CE2-CD2 3.24Å; F33-L121 HydrophobicContact CE2-CG 4.03Å; F33-L121 HydrophobicContact CZ-CD2 3.42Å; F33-L121 VanDerWaalsContact CZ-CD2 3.42Å; F33-L121 HydrophobicContact CZ-CG 4.21Å; F33-I125 HydrophobicContact CZ-CD1 4.47Å
34N70.9Confident72.6Confident35 Ų3558.5 Ų58.519%0.18730%0.296CS..Hα-helixtrans-70.5-30.3174.8-88.8-2.3000113Y30 G31 S36 R37 T38Y30-N34 WeakPolarHBondContact CE1-ND2 3.35Å; Y30-N34 WeakPolarHBondContact O-CB 3.28Å; Y30-N34 PolarHBondContact O-N 3.43Å; Y30-N34 PolarHBondContact OH-ND2 3.03Å; G31-N34 PolarHBondContact O-N 3Å; N34-S36 PolarHBondContact O-N 2.98Å; N34-S36 VanDerWaalsContact O-N 3.13Å; N34-R37 PolarHBondContact O-N 3.06Å; N34-T38 PolarHBondContact O-N 3.44Å; N34-T38 PolarHBondContact O-OG1 2.84Å
35K64.5Low72.2Confident98 Ų9859.4 Ų59.443%0.42630%0.3SS..Hα-helixtrans-50.6-35.9168.5176.8-177.2171.5-174.80112.3G31 F32 F33 F43 Y47G31-K35 PolarHBondContact O-N 3.35Å; G31-K35 VanDerWaalsContact O-N 3.11Å; F32-K35 WeakPolarHBondContact O-CB 3.22Å; F33-K35 VanDerWaalsContact C-N 3.34Å; K35-F43 HydrophobicContact CB-CD1 4.35Å; K35-F43 HydrophobicContact CB-CG 4.21Å; K35-F43 HydrophobicContact CG-CB 4.39Å; K35-F43 HydrophobicContact CG-CG 4.48Å; K35-Y47 HydrophobicContact CB-CD2 4.5Å; K35-Y47 HydrophobicContact CB-CE2 4.02Å; K35-Y47 HydrophobicContact CD-CD2 3.68Å; K35-Y47 HydrophobicContact CD-CE2 3.98Å
36S56.4Low71.8Confident90 Ų9061.5 Ų61.563%0.62931%0.313SS*.Hα-helixtrans-77.8-20.6-179.573.80000114.3F33 N34F33-S36 PolarHBondContact O-N 3.26Å; F33-S36 PolarHBondContact O-OG 3.06Å; N34-S36 PolarHBondContact O-N 2.98Å; N34-S36 VanDerWaalsContact O-N 3.13Å
37R52.8Low71.3Confident184 Ų18462.3 Ų62.369%0.69432%0.316SS*.Hα-helixtrans-97.7-35-173.5-77.1-175.1163.7174.4-1.1112.9N34 N39N34-R37 PolarHBondContact O-N 3.06Å; R37-N39 PolarHBondContact O-N 3.08Å
38T48.3Very low71.1Confident43 Ų4365.5 Ų65.526%0.26433%0.329SS..  trans-82.6112.4173.857.80000106.9N34 E40N34-T38 PolarHBondContact O-N 3.44Å; N34-T38 PolarHBondContact O-OG1 2.84Å; T38-E40 HydrophobicContact CG2-CG 4.31Å; T38-E40 PolarHBondContact O-N 3.38Å
39N48.1Very low71.1Confident163 Ų16365 Ų6587%0.87233%0.327SS*.  trans-64.118.3156.3-80.7-5.3000111.1R37 C41R37-N39 PolarHBondContact O-N 3.08Å; N39-C41 PolarHBondContact O-N 3.37Å
40E44.5Very low71.4Confident113 Ų11364.7 Ų64.753%0.52833%0.326SS..  trans-63106.3168.3-73.9172.117600105.1T38 E42T38-E40 HydrophobicContact CG2-CG 4.31Å; T38-E40 PolarHBondContact O-N 3.38Å; E40-E42 PolarHBondContact O-N 3.29Å
41C47.3Very low71.7Confident135 Ų13562.1 Ų62.191%0.91232%0.316SS*.SBendtrans-54.12.4174.4-86.30000114.4N39N39-C41 PolarHBondContact O-N 3.37Å
42E58.5Low72.1Confident120 Ų12062.3 Ų62.356%0.56132%0.315SS*.  trans-142.648.5-159.9-76.2-155.8-159.400111.9E40 P44 Y309 Y431E40-E42 PolarHBondContact O-N 3.29Å; E42-P44 WeakPolarHBondContact O-CD 3.3Å; E42-Y309 VanDerWaalsContact CA-OH 3.31Å; E42-Y309 WeakPolarHBondContact CA-OH 3.31Å; E42-Y309 WeakPolarHBondContact CB-OH 3.42Å; E42-Y309 VanDerWaalsContact CD-OH 3.27Å; E42-Y309 WeakPolarHBondContact CG-OH 3.49Å; E42-Y309 PolarHBondContact OE2-OH 3.12Å; E42-Y431 PolarHBondContact O-OH 2.77Å
43F69.8Low72Confident38 Ų3864 Ų6417%0.16733%0.325CS..  trans-76.9115.6169.3-162-87000109.4K35 F45 Y47K35-F43 HydrophobicContact CB-CD1 4.35Å; K35-F43 HydrophobicContact CB-CG 4.21Å; K35-F43 HydrophobicContact CG-CB 4.39Å; K35-F43 HydrophobicContact CG-CG 4.48Å; F43-F45 HydrophobicContact CD1-CB 4.05Å; F43-F45 AromaticContact CD1-CD2 3.93Å; F43-F45 HydrophobicContact CD1-CD2 3.93Å; F43-F45 HydrophobicContact CD1-CG 4.47Å; F43-F45 HydrophobicContact CE1-CB 3.74Å; F43-F45 AromaticContact CE1-CD2 3.24Å; F43-F45 HydrophobicContact CE1-CD2 3.24Å; F43-F45 HydrophobicContact CE1-CE2 4.22Å; F43-F45 AromaticContact CE1-CG 3.88Å; F43-F45 HydrophobicContact CE1-CG 3.88Å; F43-F45 AromaticContact CZ-CD2 3.76Å; F43-F45 HydrophobicContact CZ-CD2 3.76Å; F43-F45 HydrophobicContact CZ-CE2 4.33Å; F43-F45 PolarHBondContact O-N 2.95Å; F43-Y47 AromaticContact CD1-CE2 3.59Å; F43-Y47 HydrophobicContact CD1-CE2 3.59Å; F43-Y47 AromaticContact CE1-CE2 3.28Å; F43-Y47 HydrophobicContact CE1-CE2 3.28Å; F43-Y47 AromaticContact CE1-CZ 3.41Å; F43-Y47 VanDerWaalsContact CE1-CZ 3.41Å; F43-Y47 WeakPolarHBondContact CE1-OH 3.25Å; F43-Y47 HydrophobicContact CZ-CE2 4.17Å; F43-Y47 WeakPolarHBondContact CZ-OH 3.41Å
44P81.6Confident72.1Confident0 Ų065.7 Ų65.70%034%0.344CS..  trans-81.710-15933.4-38000114E42 L305 A306 Y309 L428 Y431E42-P44 WeakPolarHBondContact O-CD 3.3Å; P44-L305 HydrophobicContact CB-CD2 4.16Å; P44-L305 CarbonylContact O-C 3.53Å; P44-L305 VanDerWaalsContact O-CA 3.26Å; P44-L305 WeakPolarHBondContact O-CA 3.4Å; P44-L305 WeakPolarHBondContact O-CD2 3.46Å; P44-A306 PolarHBondContact O-N 3.49Å; P44-Y309 HydrophobicContact CB-CD1 3.81Å; P44-Y309 HydrophobicContact CB-CD2 3.64Å; P44-Y309 HydrophobicContact CB-CE1 4.14Å; P44-Y309 HydrophobicContact CB-CE2 3.98Å; P44-Y309 HydrophobicContact CB-CG 3.56Å; P44-L428 HydrophobicContact CG-CD1 4.08Å; P44-Y431 VanDerWaalsContact CD-CE1 3.45Å; P44-Y431 VanDerWaalsContact CD-CZ 3.41Å; P44-Y431 HydrophobicContact CG-CD1 4.12Å; P44-Y431 HydrophobicContact CG-CD2 4Å; P44-Y431 HydrophobicContact CG-CE1 3.88Å; P44-Y431 HydrophobicContact CG-CE2 3.72Å; P44-Y431 HydrophobicContact CG-CG 4.19Å
45F87.4Confident72.1Confident20 Ų2066.6 Ų66.69%0.08835%0.351CS..BIsolated β-bridgetrans-117.2139.5-173.3-58.1-86.5000113F43 Y47 T301 K304 L305 L428 Y431F43-F45 HydrophobicContact CD1-CB 4.05Å; F43-F45 AromaticContact CD1-CD2 3.93Å; F43-F45 HydrophobicContact CD1-CD2 3.93Å; F43-F45 HydrophobicContact CD1-CG 4.47Å; F43-F45 HydrophobicContact CE1-CB 3.74Å; F43-F45 AromaticContact CE1-CD2 3.24Å; F43-F45 HydrophobicContact CE1-CD2 3.24Å; F43-F45 HydrophobicContact CE1-CE2 4.22Å; F43-F45 AromaticContact CE1-CG 3.88Å; F43-F45 HydrophobicContact CE1-CG 3.88Å; F43-F45 AromaticContact CZ-CD2 3.76Å; F43-F45 HydrophobicContact CZ-CD2 3.76Å; F43-F45 HydrophobicContact CZ-CE2 4.33Å; F43-F45 PolarHBondContact O-N 2.95Å; F45-Y47 HydrophobicContact CB-CE2 4.29Å; F45-T301 HydrophobicContact CE1-CG2 3.51Å; F45-T301 HydrophobicContact CZ-CG2 4.15Å; F45-K304 CarbonylContact C-O 3.52Å; F45-K304 VanDerWaalsContact CA-O 3.26Å; F45-K304 WeakPolarHBondContact CA-O 3.08Å; F45-K304 HydrophobicContact CD1-CB 4.12Å; F45-L305 HydrophobicContact CD1-CD2 4.08Å; F45-L305 HydrophobicContact CE1-CD2 3.84Å; F45-L305 HydrophobicContact CE1-CG 4.44Å; F45-L305 HydrophobicContact CZ-CD2 4.32Å; F45-L428 HydrophobicContact CE1-CD1 4.37Å; F45-L428 HydrophobicContact CE2-CD1 4Å; F45-L428 HydrophobicContact CZ-CD1 3.55Å; F45-Y431 HydrophobicContact CE2-CD1 4.46Å
46T87.1Confident72.4Confident46 Ų4673.8 Ų73.828%0.28238%0.375SS..  trans-93.195.7172.3-54.10000109.6K48 V49 K304 A306T46-K48 VanDerWaalsContact C-N 3.29Å; T46-K48 HydrophobicContact CG2-CB 4.45Å; T46-K48 PolarHBondContact O-N 3.18Å; T46-V49 HydrophobicContact CG2-CG2 4.09Å; T46-V49 WeakPolarHBondContact O-CB 3.42Å; T46-V49 VanDerWaalsContact O-CG2 3.32Å; T46-V49 WeakPolarHBondContact O-CG2 3.37Å; T46-V49 PolarHBondContact O-N 3.28Å; T46-K304 PolarHBondContact N-O 3.38Å; T46-A306 WeakPolarHBondContact OG1-CA 3.46Å
47Y84.1Confident73.4Confident18 Ų1873.2 Ų73.27%0.07136%0.362CS..G310 helixtrans-66.7-27-176.6-79-70.5000115.3G31 F32 K35 F43 F45 V49 L50 F51G31-Y47 WeakPolarHBondContact CA-OH 3.31Å; G31-Y47 PolarHBondContact O-OH 3.13Å; G31-Y47 VanDerWaalsContact O-OH 3.07Å; F32-Y47 HydrophobicContact CB-CD1 3.89Å; F32-Y47 HydrophobicContact CB-CE1 3.93Å; F32-Y47 HydrophobicContact CB-CG 4.34Å; F32-Y47 AromaticContact CD2-CD1 3.82Å; F32-Y47 HydrophobicContact CD2-CD1 3.82Å; F32-Y47 HydrophobicContact CD2-CD2 4.27Å; F32-Y47 AromaticContact CD2-CG 3.62Å; F32-Y47 HydrophobicContact CD2-CG 3.62Å; F32-Y47 HydrophobicContact CE2-CG 4.39Å; F32-Y47 HydrophobicContact CG-CD1 4.35Å; F32-Y47 HydrophobicContact CG-CG 4.41Å; F32-Y47 VanDerWaalsContact N-CE1 3.32Å; F32-Y47 VanDerWaalsContact N-CZ 3.27Å; F32-Y47 PolarHBondContact N-OH 3.15Å; K35-Y47 HydrophobicContact CB-CD2 4.5Å; K35-Y47 HydrophobicContact CB-CE2 4.02Å; K35-Y47 HydrophobicContact CD-CD2 3.68Å; K35-Y47 HydrophobicContact CD-CE2 3.98Å; F43-Y47 AromaticContact CD1-CE2 3.59Å; F43-Y47 HydrophobicContact CD1-CE2 3.59Å; F43-Y47 AromaticContact CE1-CE2 3.28Å; F43-Y47 HydrophobicContact CE1-CE2 3.28Å; F43-Y47 AromaticContact CE1-CZ 3.41Å; F43-Y47 VanDerWaalsContact CE1-CZ 3.41Å; F43-Y47 WeakPolarHBondContact CE1-OH 3.25Å; F43-Y47 HydrophobicContact CZ-CE2 4.17Å; F43-Y47 WeakPolarHBondContact CZ-OH 3.41Å; F45-Y47 HydrophobicContact CB-CE2 4.29Å; Y47-V49 PolarHBondContact O-N 2.97Å; Y47-L50 PolarHBondContact O-N 3.42Å; Y47-F51 HydrophobicContact CD1-CD2 4.17Å; Y47-F51 HydrophobicContact CD1-CE2 4.18Å; Y47-F51 PolarHBondContact O-N 2.88Å
48K88.7Confident74.8Confident84 Ų8464.5 Ų64.537%0.36533%0.33SS..G310 helixtrans-52.8-29.6177.3-172.3174178.3-177.80112.4E7 T46 L50 F51 H61E7-K48 HydrophobicContact CG-CG 4.41Å; E7-K48 WeakPolarHBondContact CG-O 3.22Å; E7-K48 VanDerWaalsContact OE1-CE 3.23Å; E7-K48 WeakPolarHBondContact OE1-CE 3.46Å; E7-K48 WeakPolarHBondContact OE1-CG 3.38Å; T46-K48 VanDerWaalsContact C-N 3.29Å; T46-K48 HydrophobicContact CG2-CB 4.45Å; T46-K48 PolarHBondContact O-N 3.18Å; K48-L50 PolarHBondContact O-N 3.32Å; K48-F51 CarbonylContact C-O 3.59Å; K48-F51 VanDerWaalsContact CA-O 3.26Å; K48-F51 WeakPolarHBondContact CA-O 3.02Å; K48-F51 PolarHBondContact O-N 3.34Å; K48-F51 VanDerWaalsContact O-O 3.08Å; K48-H61 PolarHBondContact O-CE1 2.97Å
49V91.6Very high76.8Confident2 Ų265.2 Ų65.21%0.01233%0.329CS..G310 helixtrans-52.2-40.6176.6176.80000112.2I8 T46 Y47 H61 K304I8-V49 HydrophobicContact CB-CG1 4.34Å; I8-V49 HydrophobicContact CD1-CG1 3.69Å; I8-V49 HydrophobicContact CG1-CG1 3.81Å; I8-V49 PolarHBondContact N-O 3.45Å; T46-V49 HydrophobicContact CG2-CG2 4.09Å; T46-V49 WeakPolarHBondContact O-CB 3.42Å; T46-V49 VanDerWaalsContact O-CG2 3.32Å; T46-V49 WeakPolarHBondContact O-CG2 3.37Å; T46-V49 PolarHBondContact O-N 3.28Å; Y47-V49 PolarHBondContact O-N 2.97Å; V49-H61 PolarHBondContact O-ND1 3.22Å; V49-K304 HydrophobicContact CG1-CG 4.42Å
50L93.7Very high79Confident7 Ų757.5 Ų57.54%0.03729%0.288CS..THydrogen-bonded Turntrans-113.8-9.4-176.2-63.9-175.9000114.6I8 F24 W25 Q28 Y47 K48 H61 K304I8-L50 HydrophobicContact CB-CD2 3.96Å; I8-L50 HydrophobicContact CG2-CD2 4.4Å; F24-L50 HydrophobicContact CE1-CD1 4.21Å; F24-L50 HydrophobicContact CZ-CD1 3.87Å; W25-L50 HydrophobicContact CH2-CB 4.35Å; W25-L50 HydrophobicContact CZ3-CB 4.33Å; Q28-L50 HydrophobicContact CG-CD1 3.79Å; Y47-L50 PolarHBondContact O-N 3.42Å; K48-L50 PolarHBondContact O-N 3.32Å; L50-H61 PolarHBondContact O-N 3.26Å; L50-K304 HydrophobicContact CD1-CD 3.62Å; L50-K304 HydrophobicContact CD1-CG 4.23Å; L50-K304 HydrophobicContact CG-CD 4.34Å; L50-K304 HydrophobicContact CG-CG 4.43Å
51F92.1Very high81.5Confident8 Ų852.1 Ų52.14%0.03526%0.263CS..EExtended strand (participates in β ladder)trans-137.1142.2-177-60.2-87.1000111.2W25 Q28 F32 Y47 K48 D53 P58 K59 P60 H61W25-F51 HydrophobicContact CE3-CE1 4Å; W25-F51 AromaticContact CE3-CZ 3.86Å; W25-F51 HydrophobicContact CE3-CZ 3.86Å; W25-F51 HydrophobicContact CZ3-CD1 4.4Å; W25-F51 AromaticContact CZ3-CE1 3.74Å; W25-F51 HydrophobicContact CZ3-CE1 3.74Å; W25-F51 HydrophobicContact CZ3-CE2 4.32Å; W25-F51 AromaticContact CZ3-CZ 3.7Å; W25-F51 HydrophobicContact CZ3-CZ 3.7Å; Q28-F51 HydrophobicContact CB-CE2 3.71Å; Q28-F51 HydrophobicContact CB-CZ 3.57Å; F32-F51 HydrophobicContact CD2-CD2 4.29Å; Y47-F51 HydrophobicContact CD1-CD2 4.17Å; Y47-F51 HydrophobicContact CD1-CE2 4.18Å; Y47-F51 PolarHBondContact O-N 2.88Å; K48-F51 CarbonylContact C-O 3.59Å; K48-F51 VanDerWaalsContact CA-O 3.26Å; K48-F51 WeakPolarHBondContact CA-O 3.02Å; K48-F51 PolarHBondContact O-N 3.34Å; K48-F51 VanDerWaalsContact O-O 3.08Å; F51-D53 PolarHBondContact O-N 3.07Å; F51-P58 HydrophobicContact CB-CB 4.12Å; F51-P58 HydrophobicContact CD1-CB 3.73Å; F51-P58 HydrophobicContact CE1-CB 4.35Å; F51-P58 HydrophobicContact CG-CB 4.04Å; F51-K59 CarbonylContact C-O 3.46Å; F51-K59 VanDerWaalsContact CA-O 3.25Å; F51-K59 WeakPolarHBondContact CA-O 3.46Å; F51-P60 HydrophobicContact CD1-CB 4.12Å; F51-P60 HydrophobicContact CE1-CB 4.11Å; F51-H61 VanDerWaalsContact C-CE1 3.45Å
52D89.3Confident83.9Confident15 Ų1545.9 Ų45.98%0.0822%0.221CC..EExtended strand (participates in β ladder)trans-73.9107.7159.8167.116000107.6S54 K59 H61D52-S54 WeakPolarHBondContact OD1-CB 3.45Å; D52-S54 PolarHBondContact OD1-N 3.39Å; D52-S54 PolarHBondContact OD1-OG 3.02Å; D52-S54 PolarHBondContact OD2-OG 3.17Å; D52-K59 HydrophobicContact CB-CB 4.23Å; D52-K59 PolarHBondContact N-O 3.23Å; D52-K59 PolarHBondContact O-N 2.86Å; D52-H61 PolarHBondContact N-NE2 3.01Å; D52-H61 VanDerWaalsContact N-NE2 3.12Å
53D78.4Confident85.8Confident68 Ų6840.2 Ų40.236%0.36420%0.195SC..  trans-97.49.8-179.171.2-13.7000113.2F32 F51 T55F32-D53 HydrophobicContact CE2-CB 4.17Å; F32-D53 HydrophobicContact CZ-CB 4.49Å; F51-D53 PolarHBondContact O-N 3.07Å; D53-T55 PolarHBondContact O-N 3.07Å
54S79Confident87.2Confident93 Ų9338.4 Ų38.465%0.6519%0.187SC*.SBendtrans-65.7-18.8176.169.30000113D52D52-S54 WeakPolarHBondContact OD1-CB 3.45Å; D52-S54 PolarHBondContact OD1-N 3.39Å; D52-S54 PolarHBondContact OD1-OG 3.02Å; D52-S54 PolarHBondContact OD2-OG 3.17Å
55T71.6Confident87.9Confident54 Ų5438.4 Ų38.433%0.33119%0.187SC..SBendtrans-116.9162.9-179.977.80000112D53 E57D53-T55 PolarHBondContact O-N 3.07Å; T55-E57 PolarHBondContact O-N 3.42Å; T55-E57 PolarHBondContact OG1-O 3.08Å
56R70.4Confident88.2Confident249 Ų24937.5 Ų37.594%0.9418%0.183SC*.SBendtrans-64.8-25.1179.1-71.5-173177.1-178.7-0.1113.9
57E76.7Confident88.3Confident77 Ų7735.8 Ų35.836%0.3617%0.172SC..SBendtrans-104.6116.2176-67.4-171.1163.900108.2T55 K59 R128T55-E57 PolarHBondContact O-N 3.42Å; T55-E57 PolarHBondContact OG1-O 3.08Å; E57-K59 PolarHBondContact O-N 3.28Å; E57-R128 VanDerWaalsContact CD-NH1 3.29Å; E57-R128 IonicContact OE1-NH1 3.12Å; E57-R128 PolarHBondContact OE1-NH1 3.48Å; E57-R128 IonicContact OE2-NH1 3.12Å; E57-R128 PolarHBondContact OE2-NH1 2.86Å
58P82.5Confident88.4Confident1 Ų141.7 Ų41.71%0.00619%0.194CC..PPolyproline II helixtrans-64.6125.1-17627-34.4000110.2F32 F33 F51 I125F32-P58 HydrophobicContact CD1-CB 3.93Å; F32-P58 HydrophobicContact CD1-CG 3.58Å; F32-P58 HydrophobicContact CD2-CB 3.99Å; F32-P58 HydrophobicContact CD2-CG 4.48Å; F32-P58 HydrophobicContact CE1-CB 3.71Å; F32-P58 HydrophobicContact CE1-CG 3.6Å; F32-P58 HydrophobicContact CE2-CB 3.79Å; F32-P58 HydrophobicContact CG-CB 4.08Å; F32-P58 HydrophobicContact CG-CG 4.07Å; F32-P58 HydrophobicContact CZ-CB 3.65Å; F32-P58 HydrophobicContact CZ-CG 4.1Å; F33-P58 HydrophobicContact CE2-CG 4.21Å; F33-P58 HydrophobicContact CZ-CG 3.82Å; F51-P58 HydrophobicContact CB-CB 4.12Å; F51-P58 HydrophobicContact CD1-CB 3.73Å; F51-P58 HydrophobicContact CE1-CB 4.35Å; F51-P58 HydrophobicContact CG-CB 4.04Å; P58-I125 HydrophobicContact CG-CD1 4.17Å; P58-I125 VanDerWaalsContact O-CG2 3.29Å; P58-I125 WeakPolarHBondContact O-CG2 3.44Å
59K90.8Very high87.9Confident58 Ų5843 Ų4325%0.25220%0.202SC..EExtended strand (participates in β ladder)trans-97.8119.1176.8-59.9-179.9-179.9171.30108.9F51 D52 E57 N129F51-K59 CarbonylContact C-O 3.46Å; F51-K59 VanDerWaalsContact CA-O 3.25Å; F51-K59 WeakPolarHBondContact CA-O 3.46Å; D52-K59 HydrophobicContact CB-CB 4.23Å; D52-K59 PolarHBondContact N-O 3.23Å; D52-K59 PolarHBondContact O-N 2.86Å; E57-K59 PolarHBondContact O-N 3.28Å; K59-N129 VanDerWaalsContact CD-OD1 3.23Å; K59-N129 WeakPolarHBondContact CD-OD1 3.21Å; K59-N129 VanDerWaalsContact CE-OD1 3.31Å; K59-N129 WeakPolarHBondContact CE-OD1 3.39Å; K59-N129 WeakPolarHBondContact CG-OD1 3.49Å
60P94.8Very high87.5Confident2 Ų244.6 Ų44.61%0.01321%0.211CC..EExtended strand (participates in β ladder)trans-66140.9-178.428.2-35.2000111.2W25 F51 A62 T131W25-P60 HydrophobicContact CE3-CB 4.08Å; W25-P60 HydrophobicContact CH2-CB 3.77Å; W25-P60 HydrophobicContact CZ2-CB 4.41Å; W25-P60 HydrophobicContact CZ3-CB 3.58Å; F51-P60 HydrophobicContact CD1-CB 4.12Å; F51-P60 HydrophobicContact CE1-CB 4.11Å; P60-A62 HydrophobicContact CB-CB 3.96Å; P60-A62 HydrophobicContact CG-CB 4.5Å; P60-A62 PolarHBondContact O-N 3.43Å; P60-T131 HydrophobicContact CG-CG2 4.01Å
61H95.7Very high87Confident0 Ų044.8 Ų44.80%021%0.212CC..SBendtrans-76.466.4164-61.7156.7000108.7E7 I8 T10 K48 V49 L50 F51 D52 I187E7-H61 IonicContact OE1-CE1 3.49Å; E7-H61 PolarHBondContact OE1-CE1 2.92Å; E7-H61 VanDerWaalsContact OE1-CE1 3.29Å; I8-H61 WeakPolarHBondContact O-CB 3.49Å; T10-H61 PolarHBondContact N-O 2.93Å; K48-H61 PolarHBondContact O-CE1 2.97Å; V49-H61 PolarHBondContact O-ND1 3.22Å; L50-H61 PolarHBondContact O-N 3.26Å; F51-H61 VanDerWaalsContact C-CE1 3.45Å; D52-H61 PolarHBondContact N-NE2 3.01Å; D52-H61 VanDerWaalsContact N-NE2 3.12Å; H61-I187 HydrophobicContact CB-CG2 4.13Å
62A97.9Very high86.5Confident3 Ų346.7 Ų46.73%0.02522%0.223CC..EExtended strand (participates in β ladder)trans-143.9148.7-172.700000112.8T10 W25 P60 T131 I187T10-A62 CarbonylContact O-C 3.57Å; T10-A62 WeakPolarHBondContact O-CA 3.24Å; W25-A62 HydrophobicContact CH2-CB 3.91Å; W25-A62 HydrophobicContact CZ2-CB 3.38Å; P60-A62 HydrophobicContact CB-CB 3.96Å; P60-A62 HydrophobicContact CG-CB 4.5Å; P60-A62 PolarHBondContact O-N 3.43Å; A62-T131 HydrophobicContact CB-CG2 4.12Å; A62-T131 WeakPolarHBondContact O-CG2 3.4Å; A62-I187 WeakPolarHBondContact O-CD1 3.25Å
63L98.5Very high85.8Confident2 Ų247.2 Ų47.21%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-134.9119166.3-178.261.6000108.8T10 L11 Q12 I65 L133 R183 I184 I187T10-L63 PolarHBondContact O-N 2.89Å; L11-L63 WeakPolarHBondContact CA-O 3.42Å; L11-L63 HydrophobicContact CD2-CB 3.85Å; Q12-L63 PolarHBondContact N-O 3.37Å; L63-I65 HydrophobicContact CG-CG1 4.29Å; L63-L133 HydrophobicContact CD1-CB 4.12Å; L63-R183 HydrophobicContact CD1-CB 4.17Å; L63-R183 HydrophobicContact CD1-CG 4.49Å; L63-R183 HydrophobicContact CD2-CB 3.93Å; L63-I184 HydrophobicContact CD2-CG1 3.92Å; L63-I187 HydrophobicContact CB-CD1 3.88Å
64A98.5Very high85.1Confident0 Ų044.1 Ų44.10%021%0.209CC..EExtended strand (participates in β ladder)trans-95.5137.3170.600000110.8Q12 W114 W126 T131 V132 L133Q12-A64 VanDerWaalsContact CG-CA 3.4Å; Q12-A64 HydrophobicContact CG-CB 3.49Å; Q12-A64 VanDerWaalsContact CG-CB 3.49Å; Q12-A64 CarbonylContact O-C 3.24Å; Q12-A64 WeakPolarHBondContact O-CA 3.23Å; A64-W114 HydrophobicContact CB-CH2 3.9Å; A64-W114 HydrophobicContact CB-CZ2 4.3Å; A64-W126 HydrophobicContact CB-CH2 4.47Å; A64-W126 HydrophobicContact CB-CZ3 3.8Å; A64-T131 PolarHBondContact N-O 3.27Å; A64-V132 HydrophobicContact CB-CG1 4.26Å; A64-V132 HydrophobicContact CB-CG2 4.17Å; A64-V132 CarbonylContact O-C 3.59Å; A64-V132 VanDerWaalsContact O-CA 3.25Å; A64-V132 WeakPolarHBondContact O-CA 3.45Å; A64-L133 PolarHBondContact O-N 2.82Å
65I97Very high83.9Confident0 Ų043 Ų430%020%0.201CC..EExtended strand (participates in β ladder)trans-122.7124.1-178.6-61.4160.2000107.2Q12 A13 G14 N18 L63 L133 L135 F170 I210 L214Q12-I65 PolarHBondContact O-N 3.31Å; A13-I65 WeakPolarHBondContact CA-O 3.24Å; A13-I65 HydrophobicContact CB-CB 4.27Å; G14-I65 PolarHBondContact N-O 2.96Å; G14-I65 VanDerWaalsContact N-O 3.1Å; N18-I65 PolarHBondContact ND2-O 3.15Å; L63-I65 HydrophobicContact CG-CG1 4.29Å; I65-L133 HydrophobicContact CG1-CB 4.16Å; I65-L133 HydrophobicContact CG1-CD2 4.25Å; I65-L135 HydrophobicContact CG2-CD1 3.8Å; I65-L135 HydrophobicContact CG2-CD2 3.9Å; I65-L135 HydrophobicContact CG2-CG 3.9Å; I65-F170 HydrophobicContact CD1-CE2 4.47Å; I65-F170 HydrophobicContact CD1-CZ 4.14Å; I65-F170 HydrophobicContact CG2-CZ 4.47Å; I65-I210 HydrophobicContact CG2-CG2 4.27Å; I65-L214 HydrophobicContact CD1-CD1 3.62Å; I65-L214 HydrophobicContact CD1-CD2 3.83Å; I65-L214 HydrophobicContact CD1-CG 4.29Å
66D93.5Very high82.7Confident0 Ų046.8 Ų46.80%022%0.215CC..EExtended strand (participates in β ladder)trans-157.3169.5176.2-141.1-31.3000111.3P15 N18 V70 V71 W114 L133 L135 F207P15-D66 WeakPolarHBondContact CA-OD2 3.44Å; P15-D66 WeakPolarHBondContact CD-OD1 3.49Å; P15-D66 WeakPolarHBondContact CG-OD1 3.38Å; N18-D66 WeakPolarHBondContact ND2-CB 3.39Å; N18-D66 PolarHBondContact ND2-OD2 3.42Å; D66-V70 HydrophobicContact CB-CG2 4.12Å; D66-V70 WeakPolarHBondContact OD1-CG2 3.39Å; D66-V70 WeakPolarHBondContact OD2-CG2 3.06Å; D66-V71 HydrophobicContact CB-CG2 3.77Å; D66-W114 PolarHBondContact OD2-NE1 3.3Å; D66-L133 PolarHBondContact N-O 2.97Å; D66-L135 WeakPolarHBondContact O-CG 3.42Å; D66-L135 PolarHBondContact O-N 2.89Å; D66-F207 WeakPolarHBondContact OD1-CZ 3.31Å
67I89.3Confident81.5Confident11 Ų1140.2 Ų40.26%0.05620%0.197CC..EExtended strand (participates in β ladder)trans-68.1137.3175.164.7177.7000110.5E69 V70 L137 C158 F207I67-E69 PolarHBondContact O-N 3.44Å; I67-E69 VanDerWaalsContact O-N 3.13Å; I67-V70 HydrophobicContact CD1-CG1 3.61Å; I67-V70 HydrophobicContact CD1-CG2 4.27Å; I67-V70 HydrophobicContact CG1-CB 3.98Å; I67-V70 HydrophobicContact CG1-CG1 3.6Å; I67-V70 HydrophobicContact CG1-CG2 3.38Å; I67-V70 WeakPolarHBondContact O-CG2 3.45Å; I67-V70 PolarHBondContact O-N 3.05Å; I67-V70 VanDerWaalsContact O-N 3.08Å; I67-L137 HydrophobicContact CB-CD1 3.42Å; I67-L137 VanDerWaalsContact CB-CD1 3.42Å; I67-L137 HydrophobicContact CD1-CD1 4.23Å; I67-L137 HydrophobicContact CG1-CD1 4.39Å; I67-L137 HydrophobicContact CG2-CD1 3.29Å; I67-L137 HydrophobicContact CG2-CG 4.47Å; I67-C158 VanDerWaalsContact CD1-O 3.24Å; I67-C158 WeakPolarHBondContact CD1-O 3.4Å; I67-F207 HydrophobicContact CG2-CZ 4.09Å
68R85.9Confident80.1Confident141 Ų14139 Ų3953%0.53219%0.194SC..G310 helixtrans-53.6-39.4-174.2178.6-177.7-64.2-154.8-0.7112.5V70 V71 K134 L135R68-V70 PolarHBondContact O-N 3.07Å; R68-V71 PolarHBondContact O-N 3.12Å; R68-V71 VanDerWaalsContact O-N 3.16Å; R68-K134 HydrophobicContact CB-CB 4.1Å; R68-K134 HydrophobicContact CG-CB 4.32Å; R68-K134 HydrophobicContact CG-CD 4.39Å; R68-L135 WeakPolarHBondContact CB-O 3.39Å; R68-L135 PolarHBondContact N-O 3.29Å; R68-L135 VanDerWaalsContact N-O 3.07Å
69E79.6Confident78.6Confident113 Ų11344.5 Ų44.553%0.52823%0.229SC..G310 helixtrans-67.7-22.7-174.6-62.267.5-143.700112.5I67I67-E69 PolarHBondContact O-N 3.44Å; I67-E69 VanDerWaalsContact O-N 3.13Å
70V81.5Confident77Confident34 Ų3448.7 Ų48.721%0.20625%0.254CS..G310 helixtrans-10210.7176.9-51.40000112.9P15 D66 I67 R68 N113P15-V70 HydrophobicContact CG-CG2 4.3Å; D66-V70 HydrophobicContact CB-CG2 4.12Å; D66-V70 WeakPolarHBondContact OD1-CG2 3.39Å; D66-V70 WeakPolarHBondContact OD2-CG2 3.06Å; I67-V70 HydrophobicContact CD1-CG1 3.61Å; I67-V70 HydrophobicContact CD1-CG2 4.27Å; I67-V70 HydrophobicContact CG1-CB 3.98Å; I67-V70 HydrophobicContact CG1-CG1 3.6Å; I67-V70 HydrophobicContact CG1-CG2 3.38Å; I67-V70 WeakPolarHBondContact O-CG2 3.45Å; I67-V70 PolarHBondContact O-N 3.05Å; I67-V70 VanDerWaalsContact O-N 3.08Å; R68-V70 PolarHBondContact O-N 3.07Å; V70-N113 PolarHBondContact O-ND2 2.91Å; V70-N113 PolarHBondContact O-OD1 3.4Å
71V84.1Confident74.8Confident11 Ų1151.7 Ų51.77%0.06727%0.27CS..  trans-115.1110.5175.9-179.60000110.4D66 R68 F73 N113 W114 T115 V132 K134D66-V71 HydrophobicContact CB-CG2 3.77Å; R68-V71 PolarHBondContact O-N 3.12Å; R68-V71 VanDerWaalsContact O-N 3.16Å; V71-F73 HydrophobicContact CG1-CD2 4.19Å; V71-F73 HydrophobicContact CG1-CE2 3.8Å; V71-N113 PolarHBondContact N-ND2 3.35Å; V71-W114 HydrophobicContact CG2-CZ2 4.16Å; V71-T115 HydrophobicContact CG1-CG2 4.05Å; V71-V132 HydrophobicContact CB-CG1 4.49Å; V71-V132 HydrophobicContact CG1-CB 4.35Å; V71-V132 HydrophobicContact CG1-CG1 3.81Å; V71-V132 HydrophobicContact CG2-CG1 3.86Å; V71-K134 HydrophobicContact CB-CD 4.49Å; V71-K134 HydrophobicContact CB-CG 4.27Å; V71-K134 HydrophobicContact CG1-CD 4.35Å; V71-K134 HydrophobicContact CG1-CG 4.23Å
72D80.6Confident73.1Confident48 Ų4858.4 Ų58.426%0.25731%0.305SS..  trans-132.8110.2-175-178.516.2000110.7G74 N113 T115 R123D72-G74 VanDerWaalsContact OD1-CA 3.24Å; D72-G74 WeakPolarHBondContact OD1-CA 3.12Å; D72-G74 PolarHBondContact OD1-N 3.19Å; D72-N113 HydrophobicContact CB-CB 4.37Å; D72-N113 WeakPolarHBondContact CB-ND2 3.4Å; D72-N113 PolarHBondContact N-ND2 3.43Å; D72-T115 WeakPolarHBondContact O-CB 3.03Å; D72-T115 PolarHBondContact O-OG1 3.02Å; D72-R123 PolarHBondContact O-NH2 3.36Å
73F75.8Confident71.1Confident26 Ų2659.6 Ų59.611%0.11431%0.312CS..  trans-88.59172.6-72.5-74.1000113.2V71 T115 L118 R123 W126 V132V71-F73 HydrophobicContact CG1-CD2 4.19Å; V71-F73 HydrophobicContact CG1-CE2 3.8Å; F73-T115 HydrophobicContact CE1-CG2 4.06Å; F73-T115 HydrophobicContact CE2-CG2 4.33Å; F73-T115 HydrophobicContact CZ-CG2 3.95Å; F73-L118 HydrophobicContact CE1-CD1 4.35Å; F73-R123 HydrophobicContact CD1-CG 3.61Å; F73-R123 HydrophobicContact CE1-CG 4.02Å; F73-R123 PolarHBondContact O-NH2 3.16Å; F73-W126 HydrophobicContact CE1-CB 4.06Å; F73-W126 HydrophobicContact CZ-CB 4.15Å; F73-V132 HydrophobicContact CE2-CB 4.33Å; F73-V132 HydrophobicContact CE2-CG2 3.83Å; F73-V132 HydrophobicContact CZ-CG2 3.59Å
74G63.3Low69.3Low3 Ų362.6 Ų62.63%0.03133%0.33CS..  trans88.825.9168.300000113.6D72 E76 R100 C101 R123D72-G74 VanDerWaalsContact OD1-CA 3.24Å; D72-G74 WeakPolarHBondContact OD1-CA 3.12Å; D72-G74 PolarHBondContact OD1-N 3.19Å; G74-E76 PolarHBondContact O-N 3.26Å; G74-R100 CarbonylContact O-C 3.52Å; G74-R100 WeakPolarHBondContact O-CA 3.3Å; G74-C101 PolarHBondContact O-N 2.92Å; G74-R123 VanDerWaalsContact N-NH2 3.13Å
75S54.9Low67.5Low69 Ų6968 Ų6848%0.48337%0.366SS..EExtended strand (participates in β ladder)trans-94.191.3-175.5-49.60000110.4
76E46.1Very low65.8Low134 Ų13475.9 Ų75.963%0.62641%0.407SS*.EExtended strand (participates in β ladder)trans-97.9129.4161.1-88-177.4162.500108.8G74 D78 V98 V99G74-E76 PolarHBondContact O-N 3.26Å; E76-D78 PolarHBondContact O-N 2.87Å; E76-V98 WeakPolarHBondContact O-CG1 3.49Å; E76-V99 PolarHBondContact N-O 3.2Å; E76-V99 PolarHBondContact O-N 3.35Å
77L43.9Very low64.2Low111 Ų11179.3 Ų79.358%0.58143%0.425SS*.EExtended strand (participates in β ladder)trans-59.7125.7159.3-80.7156.7000106.5P79 D96 V98L77-P79 VanDerWaalsContact O-CD 3.23Å; L77-P79 WeakPolarHBondContact O-CD 3.32Å; L77-D96 HydrophobicContact CD2-CB 3.63Å; L77-V98 HydrophobicContact CD2-CG2 3.88Å; L77-V98 HydrophobicContact CG-CG2 4.36Å
78D48.2Very low62.7Low52 Ų5281.4 Ų81.428%0.27844%0.436SS..  trans-95101.2169.9-175.5-17.5000107.2E76 D80 L81 K97 V99E76-D78 PolarHBondContact O-N 2.87Å; D78-D80 PolarHBondContact O-N 3.19Å; D78-D80 WeakPolarHBondContact OD1-CB 3.34Å; D78-D80 PolarHBondContact OD1-N 3.37Å; D78-L81 HydrophobicContact CB-CB 4.04Å; D78-L81 HydrophobicContact CB-CD1 3.93Å; D78-L81 HydrophobicContact CB-CG 4.37Å; D78-L81 PolarHBondContact O-N 3.15Å; D78-L81 PolarHBondContact OD1-N 3.13Å; D78-L81 WeakPolarHBondContact OD2-CD1 3.47Å; D78-K97 PolarHBondContact N-O 3.28Å; D78-V99 HydrophobicContact CB-CB 4.32Å; D78-V99 HydrophobicContact CB-CG2 3.68Å
79P50.9Low61.3Low117 Ų11780.2 Ų80.276%0.7645%0.447SS*.THydrogen-bonded Turntrans-65.2-19-17828.5-35000112.6L77L77-P79 VanDerWaalsContact O-CD 3.23Å; L77-P79 WeakPolarHBondContact O-CD 3.32Å
80D57.5Low60.6Low145 Ų14580.1 Ų80.178%0.77546%0.458SS*.THydrogen-bonded Turntrans-86.2-17.1-179.5-63.8-29.9000112D78 I82D78-D80 PolarHBondContact O-N 3.19Å; D78-D80 WeakPolarHBondContact OD1-CB 3.34Å; D78-D80 PolarHBondContact OD1-N 3.37Å; D80-I82 PolarHBondContact O-N 3.5Å
81L49.2Very low59.7Low66 Ų6687.3 Ų87.335%0.34648%0.482SS..  trans-85.584.7175.5-91165.3000111.5D78 P83 K97 V99D78-L81 HydrophobicContact CB-CB 4.04Å; D78-L81 HydrophobicContact CB-CD1 3.93Å; D78-L81 HydrophobicContact CB-CG 4.37Å; D78-L81 PolarHBondContact O-N 3.15Å; D78-L81 PolarHBondContact OD1-N 3.13Å; D78-L81 WeakPolarHBondContact OD2-CD1 3.47Å; L81-P83 WeakPolarHBondContact O-CD 3.38Å; L81-K97 HydrophobicContact CB-CB 4.03Å; L81-K97 HydrophobicContact CB-CD 4.13Å; L81-K97 HydrophobicContact CB-CG 4.41Å; L81-K97 HydrophobicContact CD1-CD 4.38Å; L81-K97 HydrophobicContact CD2-CD 4.04Å; L81-K97 HydrophobicContact CG-CD 4.44Å; L81-V99 HydrophobicContact CD1-CG2 3.28Å
82I58.4Low58.9Low141 Ų14195.2 Ų95.272%0.72352%0.524SS*.PPolyproline II helixtrans-65.1123.8168-53.2174.3000108.4D80 T84D80-I82 PolarHBondContact O-N 3.5Å; I82-T84 PolarHBondContact O-N 3.47Å
83P56.4Low58.2Low27 Ų2796.6 Ų96.618%0.17554%0.537CS..PPolyproline II helixtrans-60.9138.2177.4-2.17.4000110.7L81 D87 I88 V95L81-P83 WeakPolarHBondContact O-CD 3.38Å; P83-D87 HydrophobicContact CB-CB 4.37Å; P83-I88 HydrophobicContact CB-CD1 4.13Å; P83-I88 HydrophobicContact CB-CG1 4.17Å; P83-V95 HydrophobicContact CB-CB 4.37Å; P83-V95 HydrophobicContact CB-CG1 4.27Å; P83-V95 HydrophobicContact CG-CB 4Å; P83-V95 HydrophobicContact CG-CG1 4.15Å; P83-V95 WeakPolarHBondContact CG-O 2.87Å
84T61.1Low57.7Low65 Ų65102.8 Ų102.840%0.39957%0.567SS.*PPolyproline II helixtrans-85.8157.9176.663.50000110.4I82 L86 D87I82-T84 PolarHBondContact O-N 3.47Å; T84-L86 PolarHBondContact O-N 3.48Å; T84-D87 PolarHBondContact N-OD2 3.02Å; T84-D87 WeakPolarHBondContact O-CA 3.21Å; T84-D87 WeakPolarHBondContact O-CB 3.45Å; T84-D87 PolarHBondContact O-N 3.31Å; T84-D87 VanDerWaalsContact OG1-CG 3.29Å; T84-D87 PolarHBondContact OG1-OD2 2.64Å
85P59.5Low57.8Low115 Ų115104.8 Ų104.875%0.74758%0.578SS**G310 helixtrans-55.7-26.4175.8-25.834.1000114.1D87 I88P85-D87 VanDerWaalsContact C-N 3.31Å; P85-I88 PolarHBondContact O-N 3.09Å
86L63.2Low58Low165 Ų165106 Ų10686%0.86458%0.579SS**G310 helixtrans-69.2-27.2173.1-85.6145.1000113.2T84 I88T84-L86 PolarHBondContact O-N 3.48Å; L86-I88 VanDerWaalsContact C-N 3.29Å
87D58.6Low58.7Low71 Ų71103.1 Ų103.138%0.3857%0.565SS.*G310 helixtrans-80.4-10.4176.9-60.4-53.6000112.2P83 T84 P85 P89 K97P83-D87 HydrophobicContact CB-CB 4.37Å; T84-D87 PolarHBondContact N-OD2 3.02Å; T84-D87 WeakPolarHBondContact O-CA 3.21Å; T84-D87 WeakPolarHBondContact O-CB 3.45Å; T84-D87 PolarHBondContact O-N 3.31Å; T84-D87 VanDerWaalsContact OG1-CG 3.29Å; T84-D87 PolarHBondContact OG1-OD2 2.64Å; P85-D87 VanDerWaalsContact C-N 3.31Å; D87-P89 WeakPolarHBondContact O-CD 3.37Å; D87-K97 IonicContact OD1-NZ 3.51Å; D87-K97 PolarHBondContact OD1-NZ 3.11Å; D87-K97 IonicContact OD2-NZ 2.75Å; D87-K97 PolarHBondContact OD2-NZ 3.47Å
88I59.2Low59.3Low56 Ų56101.2 Ų101.229%0.28756%0.557SS.*  trans-122.977.4-170.8-47.2164.9000109.7P83 P85 L86 S90 W91 V95P83-I88 HydrophobicContact CB-CD1 4.13Å; P83-I88 HydrophobicContact CB-CG1 4.17Å; P85-I88 PolarHBondContact O-N 3.09Å; L86-I88 VanDerWaalsContact C-N 3.29Å; I88-S90 PolarHBondContact O-N 3.01Å; I88-W91 HydrophobicContact CG2-CB 4.38Å; I88-W91 WeakPolarHBondContact CG2-O 3.44Å; I88-V95 HydrophobicContact CG1-CB 4.34Å; I88-V95 HydrophobicContact CG1-CG2 4.13Å; I88-V95 HydrophobicContact CG2-CG2 4.08Å
89P55.5Low59.6Low116 Ų116100.8 Ų100.875%0.75356%0.557SS**SBendtrans-72.2-25-170.7-16.330000114D87D87-P89 WeakPolarHBondContact O-CD 3.37Å
90S64.1Low59.5Low111 Ų111103.8 Ų103.878%0.77655%0.553SS**SBendtrans-163.718-172.7-45.20000115.6I88I88-S90 PolarHBondContact O-N 3.01Å
91W63Low59Low184 Ų184100.2 Ų100.270%0.69754%0.538SS*.  trans-108113.8-174.3-159.1-89.3000110.8I88 S93I88-W91 HydrophobicContact CG2-CB 4.38Å; I88-W91 WeakPolarHBondContact CG2-O 3.44Å; W91-S93 PolarHBondContact O-N 3.25Å
92D67.3Low58.9Low178 Ų17899.6 Ų99.695%0.95254%0.538SS*.  trans-80.19.9-174.2-68.8-21000114.5
93S66.6Low58.3Low76 Ų7695 Ų9553%0.53152%0.519SS..SBendtrans-115.8165.8-179.7177.90000111.1W91 V95W91-S93 PolarHBondContact O-N 3.25Å; S93-V95 PolarHBondContact O-N 2.83Å
94Q65.7Low57.8Low157 Ų15799.6 Ų99.673%0.73455%0.546SS*.  trans-50.2126.1173.1-177175.8-1500110.7D96Q94-D96 PolarHBondContact NE2-OD1 2.76Å
95V64.2Low57Low45 Ų4599.6 Ų99.627%0.27355%0.549SS..  trans-107.7134.3171.51780000106.5P83 I88 S93P83-V95 HydrophobicContact CB-CB 4.37Å; P83-V95 HydrophobicContact CB-CG1 4.27Å; P83-V95 HydrophobicContact CG-CB 4Å; P83-V95 HydrophobicContact CG-CG1 4.15Å; P83-V95 WeakPolarHBondContact CG-O 2.87Å; I88-V95 HydrophobicContact CG1-CB 4.34Å; I88-V95 HydrophobicContact CG1-CG2 4.13Å; I88-V95 HydrophobicContact CG2-CG2 4.08Å; S93-V95 PolarHBondContact O-N 2.83Å
96D60.4Low56.2Low94 Ų9499.8 Ų99.850%0.50355%0.548SS..  trans-110.7136.7172.8-61.1-40.9000109.2L77 Q94L77-D96 HydrophobicContact CD2-CB 3.63Å; Q94-D96 PolarHBondContact NE2-OD1 2.76Å
97K59.8Low55.2Low74 Ų74101 Ų10132%0.32255%0.547SS..PPolyproline II helixtrans-90.4116.5177.3-157.5164.1-170.7159.60109.2D78 L81 D87D78-K97 PolarHBondContact N-O 3.28Å; L81-K97 HydrophobicContact CB-CB 4.03Å; L81-K97 HydrophobicContact CB-CD 4.13Å; L81-K97 HydrophobicContact CB-CG 4.41Å; L81-K97 HydrophobicContact CD1-CD 4.38Å; L81-K97 HydrophobicContact CD2-CD 4.04Å; L81-K97 HydrophobicContact CG-CD 4.44Å; D87-K97 IonicContact OD1-NZ 3.51Å; D87-K97 PolarHBondContact OD1-NZ 3.11Å; D87-K97 IonicContact OD2-NZ 2.75Å; D87-K97 PolarHBondContact OD2-NZ 3.47Å
98V55.7Low54.3Low71 Ų71103.6 Ų103.643%0.4356%0.56SS.*EExtended strand (participates in β ladder)trans-97.6116.1177-179.10000108.6E76 L77 R100E76-V98 WeakPolarHBondContact O-CG1 3.49Å; L77-V98 HydrophobicContact CD2-CG2 3.88Å; L77-V98 HydrophobicContact CG-CG2 4.36Å; V98-R100 PolarHBondContact O-N 3.45Å
99V54.7Low53.5Low43 Ų43109 Ų10926%0.26158%0.581SS.*EExtended strand (participates in β ladder)trans-83.9118.1173.4176.80000107.9E76 D78 L81 C101E76-V99 PolarHBondContact N-O 3.2Å; E76-V99 PolarHBondContact O-N 3.35Å; D78-V99 HydrophobicContact CB-CB 4.32Å; D78-V99 HydrophobicContact CB-CG2 3.68Å; L81-V99 HydrophobicContact CD1-CG2 3.28Å; V99-C101 VanDerWaalsContact C-N 3.34Å; V99-C101 HydrophobicContact CG1-CB 3.88Å; V99-C101 WeakPolarHBondContact CG1-SG 3.34Å; V99-C101 PolarHBondContact O-N 2.93Å; V99-C101 VanDerWaalsContact O-N 3.13Å
100R50Low53Low180 Ų180111.2 Ų111.268%0.67958%0.582SS**EExtended strand (participates in β ladder)trans-84.476.1172-71.3-172.3-173.3153.93.1111.6G74 V98G74-R100 CarbonylContact O-C 3.52Å; G74-R100 WeakPolarHBondContact O-CA 3.3Å; V98-R100 PolarHBondContact O-N 3.45Å
101C45.9Very low52.3Low70 Ų70113.3 Ų113.347%0.47358%0.579SS.*  trans-111.4143.2176.3-81.70000111.2G74 V99 S103G74-C101 PolarHBondContact O-N 2.92Å; V99-C101 VanDerWaalsContact C-N 3.34Å; V99-C101 HydrophobicContact CG1-CB 3.88Å; V99-C101 WeakPolarHBondContact CG1-SG 3.34Å; V99-C101 PolarHBondContact O-N 2.93Å; V99-C101 VanDerWaalsContact O-N 3.13Å; C101-S103 PolarHBondContact O-N 2.99Å
102P48.3Very low52.1Low53 Ų53105.8 Ų105.834%0.34455%0.554SS.*  trans-60.9126.9160.326.3-29.1000107.6T104P102-T104 PolarHBondContact O-N 3.47Å
103S46.1Very low52.7Low45 Ų4598.2 Ų98.232%0.31551%0.513SS..  trans-51.7113.5178.848.80000110.1C101 S105C101-S103 PolarHBondContact O-N 2.99Å; S103-S105 PolarHBondContact O-N 3.24Å
104T44.8Very low53.7Low123 Ų12394.8 Ų94.876%0.75549%0.489SS*.  trans-79.612.8173.554.60000111.6P102 T106P102-T104 PolarHBondContact O-N 3.47Å; T104-T106 PolarHBondContact O-N 2.91Å
105S43.8Very low54.8Low65 Ų6587.3 Ų87.346%0.45545%0.454SS..  trans-61.2104.4-178.188.60000109S103 K107S103-S105 PolarHBondContact O-N 3.24Å; S105-K107 PolarHBondContact O-N 3.21Å
106T43.1Very low55.8Low119 Ų11986.6 Ų86.673%0.7345%0.449SS*.THydrogen-bonded Turntrans-68.3-7.6175.742.40000112.1T104 K109T104-T106 PolarHBondContact O-N 2.91Å; T106-K109 WeakPolarHBondContact O-CG 3.33Å
107K41.7Very low57.1Low191 Ų19182.1 Ų82.183%0.8343%0.425SS*.THydrogen-bonded Turntrans-74.9-32.9179.8-69.5-169.6177.3-179.20112.6S105 K109S105-K107 PolarHBondContact O-N 3.21Å; K107-K109 PolarHBondContact O-N 2.73Å
108N41Very low58.5Low125 Ų12579 Ų7967%0.66841%0.412SS*.SBendtrans-96.870.2175.3-72.4-9.3000110.3H110N108-H110 PolarHBondContact O-N 3.27Å
109K41.5Very low59.9Low168 Ų16876.3 Ų76.373%0.7340%0.396SS*.THydrogen-bonded Turntrans-50.9-19-167.7-94.3-178.6174.6173.90117.1T106 K107T106-K109 WeakPolarHBondContact O-CG 3.33Å; K107-K109 PolarHBondContact O-N 2.73Å
110H44.7Very low61.1Low164 Ų16477.7 Ų77.776%0.75941%0.406SS*.THydrogen-bonded Turntrans-144.84-167.9-69.3-57.6000119.4N108 C112N108-H110 PolarHBondContact O-N 3.27Å; H110-C112 PolarHBondContact O-N 2.67Å
111H50.7Low62.4Low154 Ų15471.6 Ų71.671%0.71339%0.386SS*.  trans-94.383174.8-69.2-74.7000110.7N113H111-N113 PolarHBondContact O-N 3.22Å
112C58.6Low64.4Low26 Ų2668.4 Ų68.418%0.17637%0.365CS..  trans-61.5104.3162.3-177.40000107.6R19 H110 W114 H449R19-C112 PolarHBondContact NH2-O 3.04Å; H110-C112 PolarHBondContact O-N 2.67Å; C112-W114 PolarHBondContact O-N 2.85Å; C112-H449 PolarHBondContact SG-O 2.84Å
113N78.7Confident66.1Low19 Ų1967.9 Ų67.910%0.10236%0.356CS..  trans-52.7127.3168.7-164.8-49.1000108.4V70 V71 D72 H111 T115 N116V70-N113 PolarHBondContact O-ND2 2.91Å; V70-N113 PolarHBondContact O-OD1 3.4Å; V71-N113 PolarHBondContact N-ND2 3.35Å; D72-N113 HydrophobicContact CB-CB 4.37Å; D72-N113 WeakPolarHBondContact CB-ND2 3.4Å; D72-N113 PolarHBondContact N-ND2 3.43Å; H111-N113 PolarHBondContact O-N 3.22Å; N113-T115 VanDerWaalsContact CG-OG1 3.28Å; N113-T115 PolarHBondContact O-N 3.39Å; N113-T115 VanDerWaalsContact O-N 3.15Å; N113-T115 PolarHBondContact OD1-N 3Å; N113-T115 VanDerWaalsContact OD1-N 3.12Å; N113-T115 PolarHBondContact OD1-OG1 3.34Å; N113-N116 VanDerWaalsContact O-CB 3.28Å; N113-N116 WeakPolarHBondContact O-CB 3.49Å; N113-N116 PolarHBondContact O-N 3.09Å
114W89.1Confident67.9Low4 Ų471.3 Ų71.32%0.01536%0.363CS..G310 helixtrans-63.2-24-174.463.3-102.4000112.2N18 R19 A22 A64 D66 V71 C112 N116 C117 L118 W126 V132N18-W114 HydrophobicContact CB-CD2 3.58Å; N18-W114 HydrophobicContact CB-CE3 4.05Å; N18-W114 HydrophobicContact CB-CG 3.82Å; N18-W114 HydrophobicContact CB-CH2 4.49Å; N18-W114 HydrophobicContact CB-CZ2 4.06Å; N18-W114 HydrophobicContact CB-CZ3 4.48Å; R19-W114 HydrophobicContact CB-CB 3.9Å; R19-W114 HydrophobicContact CG-CB 4.31Å; A22-W114 HydrophobicContact CB-CE3 4.26Å; A64-W114 HydrophobicContact CB-CH2 3.9Å; A64-W114 HydrophobicContact CB-CZ2 4.3Å; D66-W114 PolarHBondContact OD2-NE1 3.3Å; V71-W114 HydrophobicContact CG2-CZ2 4.16Å; C112-W114 PolarHBondContact O-N 2.85Å; W114-N116 PolarHBondContact O-N 3.25Å; W114-C117 WeakPolarHBondContact O-CB 3.49Å; W114-C117 PolarHBondContact O-N 2.81Å; W114-L118 HydrophobicContact CZ3-CD1 4.23Å; W114-W126 HydrophobicContact CH2-CE3 4.17Å; W114-W126 AromaticContact CH2-CZ3 3.74Å; W114-W126 HydrophobicContact CH2-CZ3 3.74Å; W114-W126 HydrophobicContact CZ3-CE3 4.16Å; W114-W126 AromaticContact CZ3-CZ3 3.66Å; W114-W126 HydrophobicContact CZ3-CZ3 3.66Å; W114-V132 HydrophobicContact CH2-CG1 4.29Å; W114-V132 HydrophobicContact CH2-CG2 3.79Å; W114-V132 HydrophobicContact CZ2-CG1 4.02Å; W114-V132 HydrophobicContact CZ2-CG2 4.34Å
115T88.7Confident69.9Low0 Ų065.8 Ų65.80%033%0.328CS..G310 helixtrans-63.9-24.2173.3590000112.6V71 D72 F73 N113 C117 L118V71-T115 HydrophobicContact CG1-CG2 4.05Å; D72-T115 WeakPolarHBondContact O-CB 3.03Å; D72-T115 PolarHBondContact O-OG1 3.02Å; F73-T115 HydrophobicContact CE1-CG2 4.06Å; F73-T115 HydrophobicContact CE2-CG2 4.33Å; F73-T115 HydrophobicContact CZ-CG2 3.95Å; N113-T115 VanDerWaalsContact CG-OG1 3.28Å; N113-T115 PolarHBondContact O-N 3.39Å; N113-T115 VanDerWaalsContact O-N 3.15Å; N113-T115 PolarHBondContact OD1-N 3Å; N113-T115 VanDerWaalsContact OD1-N 3.12Å; N113-T115 PolarHBondContact OD1-OG1 3.34Å; T115-C117 PolarHBondContact O-N 3.17Å; T115-L118 WeakPolarHBondContact O-CB 3.4Å; T115-L118 PolarHBondContact O-N 3.25Å
116N84.7Confident72.1Confident30 Ų3062.9 Ų62.916%0.1631%0.307CS..G310 helixtrans-73.6-11.8172.7-68.1-34000112.3N113 W114 R123N113-N116 VanDerWaalsContact O-CB 3.28Å; N113-N116 WeakPolarHBondContact O-CB 3.49Å; N113-N116 PolarHBondContact O-N 3.09Å; W114-N116 PolarHBondContact O-N 3.25Å; N116-R123 PolarHBondContact OD1-NH1 2.94Å; N116-R123 VanDerWaalsContact OD1-NH1 3.15Å; N116-R123 PolarHBondContact OD1-NH2 3.3Å
117C88.4Confident74.2Confident1 Ų159.6 Ų59.61%0.00729%0.289CS..G310 helixtrans-83.7-17.8172.3-59.10000112.9A22 N26 W114 T115 C286 C450 Q452A22-C117 HydrophobicContact CB-CB 3.94Å; N26-C117 PolarHBondContact ND2-O 3.4Å; W114-C117 WeakPolarHBondContact O-CB 3.49Å; W114-C117 PolarHBondContact O-N 2.81Å; T115-C117 PolarHBondContact O-N 3.17Å; C117-C286 PolarHBondContact SG-SG 3.47Å; C117-C450 HydrophobicContact CB-CB 4.31Å; C117-Q452 PolarHBondContact O-NE2 2.87Å
118L88.4Confident76.3Confident9 Ų957.5 Ų57.55%0.04728%0.276CS..SBendtrans-65.6144.7172.5-67.3170.1000109.9A22 W25 N26 F73 W114 T115 A122 R123 W126A22-L118 HydrophobicContact CB-CD2 3.86Å; A22-L118 HydrophobicContact CB-CG 4.1Å; W25-L118 HydrophobicContact CB-CD2 4.39Å; N26-L118 WeakPolarHBondContact OD1-CA 3.5Å; F73-L118 HydrophobicContact CE1-CD1 4.35Å; W114-L118 HydrophobicContact CZ3-CD1 4.23Å; T115-L118 WeakPolarHBondContact O-CB 3.4Å; T115-L118 PolarHBondContact O-N 3.25Å; L118-A122 HydrophobicContact CB-CB 4.26Å; L118-A122 HydrophobicContact CD2-CB 4.2Å; L118-R123 HydrophobicContact CB-CB 3.98Å; L118-R123 HydrophobicContact CD1-CB 4.49Å; L118-W126 HydrophobicContact CD1-CB 4.42Å; L118-W126 HydrophobicContact CD1-CD2 3.94Å; L118-W126 HydrophobicContact CD1-CE3 3.95Å; L118-W126 HydrophobicContact CD1-CG 4.16Å; L118-W126 HydrophobicContact CD2-CZ2 4.45Å
119S84.1Confident78.5Confident13 Ų1353.7 Ų53.79%0.09126%0.255CS..  trans-57.3153.6168.7105.50000109.5N26 E29 L121 A122 R123N26-S119 PolarHBondContact OD1-N 2.71Å; E29-S119 VanDerWaalsContact CD-OG 3.23Å; E29-S119 PolarHBondContact OE1-OG 3.44Å; E29-S119 VanDerWaalsContact OE2-CB 3.27Å; E29-S119 WeakPolarHBondContact OE2-CB 3.41Å; E29-S119 PolarHBondContact OE2-OG 2.99Å; S119-L121 PolarHBondContact O-N 3.44Å; S119-L121 VanDerWaalsContact O-N 3.09Å; S119-L121 PolarHBondContact OG-N 3.13Å; S119-A122 PolarHBondContact O-N 3.41Å; S119-A122 PolarHBondContact OG-N 3.34Å; S119-R123 VanDerWaalsContact O-CB 3.27Å; S119-R123 WeakPolarHBondContact O-CB 3.39Å; S119-R123 PolarHBondContact O-N 2.71Å
120P81.1Confident80.8Confident73 Ų7349.4 Ų49.447%0.47424%0.24SC..Hα-helixtrans-54.9-31.4179.1-2835.8000114.2R124P120-R124 PolarHBondContact O-N 3.08Å
121L78Confident83.2Confident51 Ų5141.9 Ų41.927%0.26721%0.206SC..Hα-helixtrans-83.6-45.2-179.5172.164.3000111.3E29 F33 S119 R123 R124 I125E29-L121 WeakPolarHBondContact OE1-CB 3.43Å; E29-L121 VanDerWaalsContact OE1-CD2 3.29Å; E29-L121 WeakPolarHBondContact OE1-CD2 3.29Å; E29-L121 WeakPolarHBondContact OE1-CG 3.46Å; F33-L121 HydrophobicContact CD2-CD2 3.85Å; F33-L121 HydrophobicContact CE1-CD2 4.13Å; F33-L121 HydrophobicContact CE2-CD2 3.24Å; F33-L121 HydrophobicContact CE2-CG 4.03Å; F33-L121 HydrophobicContact CZ-CD2 3.42Å; F33-L121 VanDerWaalsContact CZ-CD2 3.42Å; F33-L121 HydrophobicContact CZ-CG 4.21Å; S119-L121 PolarHBondContact O-N 3.44Å; S119-L121 VanDerWaalsContact O-N 3.09Å; S119-L121 PolarHBondContact OG-N 3.13Å; L121-R123 VanDerWaalsContact C-N 3.29Å; L121-R123 PolarHBondContact O-N 3.35Å; L121-R124 WeakPolarHBondContact O-CB 3.44Å; L121-R124 PolarHBondContact O-N 3.13Å; L121-R124 VanDerWaalsContact O-N 3.11Å; L121-I125 HydrophobicContact CD1-CD1 4.06Å; L121-I125 HydrophobicContact CD1-CG1 4.26Å; L121-I125 HydrophobicContact CG-CD1 4.05Å; L121-I125 WeakPolarHBondContact O-CG1 3.24Å; L121-I125 PolarHBondContact O-N 3.06Å
122A86.1Confident85.3Confident4 Ų434.7 Ų34.73%0.03317%0.173CC..Hα-helixtrans-54.1-46.5169.300000111.6E29 L118 S119 R124 I125 W126E29-A122 PolarHBondContact OE1-N 3.06Å; E29-A122 WeakPolarHBondContact OE2-CB 3.33Å; E29-A122 PolarHBondContact OE2-N 3.02Å; L118-A122 HydrophobicContact CB-CB 4.26Å; L118-A122 HydrophobicContact CD2-CB 4.2Å; S119-A122 PolarHBondContact O-N 3.41Å; S119-A122 PolarHBondContact OG-N 3.34Å; A122-R124 VanDerWaalsContact C-N 3.28Å; A122-R124 PolarHBondContact O-N 3.18Å; A122-I125 PolarHBondContact O-N 3.13Å; A122-W126 WeakPolarHBondContact O-CB 3.24Å; A122-W126 PolarHBondContact O-N 2.66Å
123R85.6Confident87.1Confident42 Ų4233.5 Ų33.516%0.15817%0.165CC..Hα-helixtrans-57-41.7177.8-169.6176.2-175-171.56.2112.1D72 F73 G74 N116 L118 S119 L121 S127D72-R123 PolarHBondContact O-NH2 3.36Å; F73-R123 HydrophobicContact CD1-CG 3.61Å; F73-R123 HydrophobicContact CE1-CG 4.02Å; F73-R123 PolarHBondContact O-NH2 3.16Å; G74-R123 VanDerWaalsContact N-NH2 3.13Å; N116-R123 PolarHBondContact OD1-NH1 2.94Å; N116-R123 VanDerWaalsContact OD1-NH1 3.15Å; N116-R123 PolarHBondContact OD1-NH2 3.3Å; L118-R123 HydrophobicContact CB-CB 3.98Å; L118-R123 HydrophobicContact CD1-CB 4.49Å; S119-R123 VanDerWaalsContact O-CB 3.27Å; S119-R123 WeakPolarHBondContact O-CB 3.39Å; S119-R123 PolarHBondContact O-N 2.71Å; L121-R123 VanDerWaalsContact C-N 3.29Å; L121-R123 PolarHBondContact O-N 3.35Å; R123-S127 WeakPolarHBondContact O-CB 3.38Å; R123-S127 PolarHBondContact O-N 3.11Å
124R83.8Confident87.7Confident117 Ų11736.7 Ų36.744%0.44218%0.178SC..Hα-helixtrans-67.5-46.1176.7-173.5-171.9-57.7151.42.2111.8P120 L121 A122 W126 S127 R128P120-R124 PolarHBondContact O-N 3.08Å; L121-R124 WeakPolarHBondContact O-CB 3.44Å; L121-R124 PolarHBondContact O-N 3.13Å; L121-R124 VanDerWaalsContact O-N 3.11Å; A122-R124 VanDerWaalsContact C-N 3.28Å; A122-R124 PolarHBondContact O-N 3.18Å; R124-W126 VanDerWaalsContact C-N 3.33Å; R124-W126 PolarHBondContact O-N 3.37Å; R124-S127 PolarHBondContact O-N 3.26Å; R124-R128 WeakPolarHBondContact O-CB 3.34Å; R124-R128 WeakPolarHBondContact O-CG 3.24Å; R124-R128 PolarHBondContact O-N 3.13Å
125I85Confident87.7Confident6 Ų636.8 Ų36.83%0.03118%0.179CC..Hα-helixtrans-59.5-47.3178.4-71.1169.7000109.7F33 P58 L121 A122 R128 N129F33-I125 HydrophobicContact CZ-CD1 4.47Å; P58-I125 HydrophobicContact CG-CD1 4.17Å; P58-I125 VanDerWaalsContact O-CG2 3.29Å; P58-I125 WeakPolarHBondContact O-CG2 3.44Å; L121-I125 HydrophobicContact CD1-CD1 4.06Å; L121-I125 HydrophobicContact CD1-CG1 4.26Å; L121-I125 HydrophobicContact CG-CD1 4.05Å; L121-I125 WeakPolarHBondContact O-CG1 3.24Å; L121-I125 PolarHBondContact O-N 3.06Å; A122-I125 PolarHBondContact O-N 3.13Å; I125-R128 PolarHBondContact O-N 3.41Å; I125-N129 WeakPolarHBondContact O-CB 3.07Å; I125-N129 PolarHBondContact O-N 2.88Å; I125-N129 PolarHBondContact O-ND2 3.5Å
126W91.1Very high87.3Confident5 Ų539.1 Ų39.12%0.01919%0.194CC..Hα-helixtrans-64.1-43.8-179.3-79.545.3000112.5W25 A64 F73 W114 L118 A122 R124 R128 D130 T131 V132W25-W126 HydrophobicContact CB-CZ2 4.03Å; W25-W126 AromaticContact CD1-CH2 3.52Å; W25-W126 AromaticContact CD1-CZ2 3.2Å; W25-W126 AromaticContact CD2-CZ2 3.87Å; W25-W126 HydrophobicContact CD2-CZ2 3.87Å; W25-W126 AromaticContact CE2-CZ2 3.96Å; W25-W126 HydrophobicContact CG-CH2 4.19Å; W25-W126 AromaticContact CG-CZ2 3.43Å; W25-W126 HydrophobicContact CG-CZ2 3.43Å; W25-W126 VanDerWaalsContact CG-CZ2 3.43Å; W25-W126 AromaticContact NE1-CH2 3.79Å; W25-W126 AromaticContact NE1-CZ2 3.53Å; A64-W126 HydrophobicContact CB-CH2 4.47Å; A64-W126 HydrophobicContact CB-CZ3 3.8Å; F73-W126 HydrophobicContact CE1-CB 4.06Å; F73-W126 HydrophobicContact CZ-CB 4.15Å; W114-W126 HydrophobicContact CH2-CE3 4.17Å; W114-W126 AromaticContact CH2-CZ3 3.74Å; W114-W126 HydrophobicContact CH2-CZ3 3.74Å; W114-W126 HydrophobicContact CZ3-CE3 4.16Å; W114-W126 AromaticContact CZ3-CZ3 3.66Å; W114-W126 HydrophobicContact CZ3-CZ3 3.66Å; L118-W126 HydrophobicContact CD1-CB 4.42Å; L118-W126 HydrophobicContact CD1-CD2 3.94Å; L118-W126 HydrophobicContact CD1-CE3 3.95Å; L118-W126 HydrophobicContact CD1-CG 4.16Å; L118-W126 HydrophobicContact CD2-CZ2 4.45Å; A122-W126 WeakPolarHBondContact O-CB 3.24Å; A122-W126 PolarHBondContact O-N 2.66Å; R124-W126 VanDerWaalsContact C-N 3.33Å; R124-W126 PolarHBondContact O-N 3.37Å; W126-R128 VanDerWaalsContact C-N 3.32Å; W126-R128 PolarHBondContact O-N 3.45Å; W126-D130 PolarHBondContact O-N 3.5Å; W126-D130 VanDerWaalsContact O-N 3.17Å; W126-T131 HydrophobicContact CD2-CG2 3.67Å; W126-T131 HydrophobicContact CE3-CG2 3.8Å; W126-T131 HydrophobicContact CG-CG2 4.11Å; W126-T131 HydrophobicContact CH2-CG2 4.44Å; W126-T131 HydrophobicContact CZ2-CG2 4.23Å; W126-T131 HydrophobicContact CZ3-CG2 4.21Å; W126-T131 PolarHBondContact O-N 2.83Å; W126-T131 VanDerWaalsContact O-N 3.09Å; W126-V132 HydrophobicContact CE3-CG2 3.87Å; W126-V132 HydrophobicContact CZ3-CG2 4.34Å
127S87.4Confident86.1Confident49 Ų4940 Ų4034%0.34320%0.198SC..Hα-helixtrans-63.9-36.8176.1175.80000112.4R123 R124R123-S127 WeakPolarHBondContact O-CB 3.38Å; R123-S127 PolarHBondContact O-N 3.11Å; R124-S127 PolarHBondContact O-N 3.26Å
128R85.6Confident84.3Confident147 Ų14744.8 Ų44.856%0.55523%0.232SC*.Hα-helixtrans-76.1-35.1-179.8-77.9178.9174172.6-3113.4E57 R124 I125 W126 D130E57-R128 VanDerWaalsContact CD-NH1 3.29Å; E57-R128 IonicContact OE1-NH1 3.12Å; E57-R128 PolarHBondContact OE1-NH1 3.48Å; E57-R128 IonicContact OE2-NH1 3.12Å; E57-R128 PolarHBondContact OE2-NH1 2.86Å; R124-R128 WeakPolarHBondContact O-CB 3.34Å; R124-R128 WeakPolarHBondContact O-CG 3.24Å; R124-R128 PolarHBondContact O-N 3.13Å; I125-R128 PolarHBondContact O-N 3.41Å; W126-R128 VanDerWaalsContact C-N 3.32Å; W126-R128 PolarHBondContact O-N 3.45Å; R128-D130 VanDerWaalsContact C-N 3.31Å
129N88Confident82.3Confident45 Ų4548.4 Ų48.424%0.24125%0.251CS..THydrogen-bonded Turntrans-93.68.1-177.3-69-79.1000112.8K59 I125 T131K59-N129 VanDerWaalsContact CD-OD1 3.23Å; K59-N129 WeakPolarHBondContact CD-OD1 3.21Å; K59-N129 VanDerWaalsContact CE-OD1 3.31Å; K59-N129 WeakPolarHBondContact CE-OD1 3.39Å; K59-N129 WeakPolarHBondContact CG-OD1 3.49Å; I125-N129 WeakPolarHBondContact O-CB 3.07Å; I125-N129 PolarHBondContact O-N 2.88Å; I125-N129 PolarHBondContact O-ND2 3.5Å; N129-T131 PolarHBondContact O-N 3.37Å
130D89.4Confident79.9Confident78 Ų7856 Ų5642%0.41729%0.285SS..THydrogen-bonded Turntrans49.647.4-179.7-163.715.9000111.9W126 R128 V132 R183W126-D130 PolarHBondContact O-N 3.5Å; W126-D130 VanDerWaalsContact O-N 3.17Å; R128-D130 VanDerWaalsContact C-N 3.31Å; D130-V132 PolarHBondContact O-N 3.36Å; D130-R183 VanDerWaalsContact CG-NH2 3.31Å; D130-R183 PolarHBondContact O-NH1 2.96Å; D130-R183 IonicContact OD1-CZ 2.58Å; D130-R183 IonicContact OD1-NH1 3.78Å; D130-R183 PolarHBondContact OD1-NH1 3.1Å; D130-R183 IonicContact OD1-NH2 3.27Å; D130-R183 PolarHBondContact OD1-NH2 3.47Å; D130-R183 IonicContact OD2-CZ 3.29Å; D130-R183 IonicContact OD2-NH1 3.55Å; D130-R183 PolarHBondContact OD2-NH1 2.87Å; D130-R183 VanDerWaalsContact OD2-NH1 3.12Å; D130-R183 IonicContact OD2-NH2 2.73Å; D130-R183 PolarHBondContact OD2-NH2 3.47Å
131T94.9Very high77.6Confident7 Ų757.9 Ų57.94%0.04330%0.297CS..  trans-73.8-2.8-175-54.10000112.6P60 A62 A64 W126 N129P60-T131 HydrophobicContact CG-CG2 4.01Å; A62-T131 HydrophobicContact CB-CG2 4.12Å; A62-T131 WeakPolarHBondContact O-CG2 3.4Å; A64-T131 PolarHBondContact N-O 3.27Å; W126-T131 HydrophobicContact CD2-CG2 3.67Å; W126-T131 HydrophobicContact CE3-CG2 3.8Å; W126-T131 HydrophobicContact CG-CG2 4.11Å; W126-T131 HydrophobicContact CH2-CG2 4.44Å; W126-T131 HydrophobicContact CZ2-CG2 4.23Å; W126-T131 HydrophobicContact CZ3-CG2 4.21Å; W126-T131 PolarHBondContact O-N 2.83Å; W126-T131 VanDerWaalsContact O-N 3.09Å; N129-T131 PolarHBondContact O-N 3.37Å
132V95.4Very high75.4Confident2 Ų261.1 Ų61.11%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-123.3115-177.4-168.40000110.7A64 V71 F73 W114 W126 D130 R183A64-V132 HydrophobicContact CB-CG1 4.26Å; A64-V132 HydrophobicContact CB-CG2 4.17Å; A64-V132 CarbonylContact O-C 3.59Å; A64-V132 VanDerWaalsContact O-CA 3.25Å; A64-V132 WeakPolarHBondContact O-CA 3.45Å; V71-V132 HydrophobicContact CB-CG1 4.49Å; V71-V132 HydrophobicContact CG1-CB 4.35Å; V71-V132 HydrophobicContact CG1-CG1 3.81Å; V71-V132 HydrophobicContact CG2-CG1 3.86Å; F73-V132 HydrophobicContact CE2-CB 4.33Å; F73-V132 HydrophobicContact CE2-CG2 3.83Å; F73-V132 HydrophobicContact CZ-CG2 3.59Å; W114-V132 HydrophobicContact CH2-CG1 4.29Å; W114-V132 HydrophobicContact CH2-CG2 3.79Å; W114-V132 HydrophobicContact CZ2-CG1 4.02Å; W114-V132 HydrophobicContact CZ2-CG2 4.34Å; W126-V132 HydrophobicContact CE3-CG2 3.87Å; W126-V132 HydrophobicContact CZ3-CG2 4.34Å; D130-V132 PolarHBondContact O-N 3.36Å; V132-R183 PolarHBondContact O-NH1 3.14Å
133L95.2Very high72.5Confident2 Ų266.4 Ų66.41%0.0135%0.348CS..EExtended strand (participates in β ladder)trans-78.5118.8166.6-179.766.2000109.2L63 A64 I65 D66 L135 F170 V176 E179 C180L63-L133 HydrophobicContact CD1-CB 4.12Å; A64-L133 PolarHBondContact O-N 2.82Å; I65-L133 HydrophobicContact CG1-CB 4.16Å; I65-L133 HydrophobicContact CG1-CD2 4.25Å; D66-L133 PolarHBondContact N-O 2.97Å; L133-L135 HydrophobicContact CD2-CD2 4.36Å; L133-L135 HydrophobicContact CG-CD2 4.45Å; L133-F170 HydrophobicContact CD2-CE1 4.07Å; L133-F170 HydrophobicContact CD2-CZ 4.17Å; L133-V176 HydrophobicContact CD2-CG1 4.49Å; L133-E179 HydrophobicContact CD1-CB 4.39Å; L133-E179 HydrophobicContact CD1-CG 3.83Å; L133-C180 HydrophobicContact CD2-CB 3.65Å
134K91.5Very high69.8Low85 Ų8571 Ų7137%0.3738%0.376SS..EExtended strand (participates in β ladder)trans-98.8104.9-177.4-62.5178.9-171.7178.60110.4R68 V71R68-K134 HydrophobicContact CB-CB 4.1Å; R68-K134 HydrophobicContact CG-CB 4.32Å; R68-K134 HydrophobicContact CG-CD 4.39Å; V71-K134 HydrophobicContact CB-CD 4.49Å; V71-K134 HydrophobicContact CB-CG 4.27Å; V71-K134 HydrophobicContact CG1-CD 4.35Å; V71-K134 HydrophobicContact CG1-CG 4.23Å
135L89.9Confident67.2Low7 Ų775 Ų754%0.03740%0.399CS..EExtended strand (participates in β ladder)trans-66.6129.9-179.6-55.8177.8000110.6I65 D66 R68 L133 V169 F170 V176 F207 I210I65-L135 HydrophobicContact CG2-CD1 3.8Å; I65-L135 HydrophobicContact CG2-CD2 3.9Å; I65-L135 HydrophobicContact CG2-CG 3.9Å; D66-L135 WeakPolarHBondContact O-CG 3.42Å; D66-L135 PolarHBondContact O-N 2.89Å; R68-L135 WeakPolarHBondContact CB-O 3.39Å; R68-L135 PolarHBondContact N-O 3.29Å; R68-L135 VanDerWaalsContact N-O 3.07Å; L133-L135 HydrophobicContact CD2-CD2 4.36Å; L133-L135 HydrophobicContact CG-CD2 4.45Å; L135-V169 HydrophobicContact CD1-CG1 4.03Å; L135-V169 HydrophobicContact CD2-CG1 3.68Å; L135-V169 HydrophobicContact CG-CG1 4.38Å; L135-F170 HydrophobicContact CD2-CE1 4.49Å; L135-V176 HydrophobicContact CD2-CG1 3.59Å; L135-F207 HydrophobicContact CD1-CE1 4.37Å; L135-I210 HydrophobicContact CD1-CD1 3.59Å
136P79.3Confident64.7Low49 Ų4979.8 Ų79.832%0.31843%0.433SS..  trans-78.5118.7173.831-30.5000109.2S138 V176P136-S138 PolarHBondContact O-N 3.17Å; P136-S138 VanDerWaalsContact O-N 3.08Å; P136-V176 HydrophobicContact CG-CG2 3.82Å
137L60.9Low61.8Low48 Ų4884.9 Ų84.925%0.25147%0.469SS..SBendtrans-87.373.2164.3-76.2129000110.9I67 C158I67-L137 HydrophobicContact CB-CD1 3.42Å; I67-L137 VanDerWaalsContact CB-CD1 3.42Å; I67-L137 HydrophobicContact CD1-CD1 4.23Å; I67-L137 HydrophobicContact CG1-CD1 4.39Å; I67-L137 HydrophobicContact CG2-CD1 3.29Å; I67-L137 HydrophobicContact CG2-CG 4.47Å; L137-C158 HydrophobicContact CB-CB 4.02Å; L137-C158 WeakPolarHBondContact CB-SG 3.33Å; L137-C158 HydrophobicContact CD1-CB 3.44Å; L137-C158 VanDerWaalsContact CD1-CB 3.44Å; L137-C158 HydrophobicContact CD2-CB 4.17Å; L137-C158 VanDerWaalsContact CD2-SG 3.54Å; L137-C158 HydrophobicContact CG-CB 4.02Å; L137-C158 VanDerWaalsContact CG-SG 3.54Å
138S49.3Very low59.1Low102 Ų10289.3 Ų89.371%0.71349%0.494SS*.  trans-132.356.7145.1-168.70000106P136 Q140P136-S138 PolarHBondContact O-N 3.17Å; P136-S138 VanDerWaalsContact O-N 3.08Å; S138-Q140 PolarHBondContact O-N 3.22Å; S138-Q140 VanDerWaalsContact O-N 3.12Å
139L46.3Very low56.5Low85 Ų8588.9 Ų88.945%0.44550%0.503SS..  trans-68.2108.9165.5-64168.9000104.4V169L139-V169 HydrophobicContact CD1-CG2 3.9Å
140Q34.6Very low53.6Low171 Ų17190.6 Ų90.680%0.79953%0.532SS*.  trans-47.6134.6-171.3-66.3-167.8-25.200110.9S138 I142S138-Q140 PolarHBondContact O-N 3.22Å; S138-Q140 VanDerWaalsContact O-N 3.12Å; Q140-I142 PolarHBondContact O-N 3.39Å
141P33Very low50.8Low113 Ų11393.7 Ų93.773%0.73455%0.547SS*.  trans-58.6136158.626.5-29.5000107
142I30.6Very low47.7Very low119 Ų119102 Ų10261%0.6158%0.584SS**  trans-44131.6161.8-62.1162.8000106.8Q140 D144 Y493Q140-I142 PolarHBondContact O-N 3.39Å; I142-D144 PolarHBondContact O-N 3.36Å; I142-Y493 HydrophobicContact CD1-CD1 4.43Å; I142-Y493 HydrophobicContact CD1-CE1 4.17Å
143P25.3Very low44.6Very low116 Ų116110.1 Ų110.175%0.75362%0.622SS**  trans-65.199.6-174.224.2-32.2000110.2
144D29.6Very low41.6Very low139 Ų139114.8 Ų114.874%0.74366%0.655SS**  trans-98.1110.6163.2-90.6-16000108.1I142 S146I142-D144 PolarHBondContact O-N 3.36Å; D144-S146 PolarHBondContact O-N 3.03Å
145E28.7Very low38.7Very low199 Ų199118.3 Ų118.393%0.9368%0.678SS**SBendtrans-6524.5175.1-74.4-169.2141.900113.7
146S33.8Very low36.1Very low108 Ų108121.3 Ų121.376%0.75570%0.7SS**  trans-154.565.4-166.3-62.60000114.3D144D144-S146 PolarHBondContact O-N 3.03Å
147S30.1Very low34.5Very low111 Ų111123.3 Ų123.378%0.77671%0.711SS**  trans-148.297156.153.90000112.9
148V30.4Very low34.1Very low143 Ų143123 Ų12387%0.86771%0.712SS**  trans-88.34.1176.6167.60000112.6
149N30.6Very low35.1Very low137 Ų137122 Ų12273%0.73371%0.705SS**  trans-109.495.8-172.1-70.8-14.2000112.3I151N149-I151 PolarHBondContact O-N 3.41Å
150G26.1Very low37Very low82 Ų82118.7 Ų118.785%0.84569%0.688SS**  trans-61.894.3168.700000111.4
151I30.5Very low39.6Very low143 Ų143112.6 Ų112.673%0.73366%0.664SS**  trans-109.8119.1165.4-60.1177.1000106.5N149 Q153N149-I151 PolarHBondContact O-N 3.41Å; I151-Q153 PolarHBondContact O-N 2.72Å
152H30.9Very low42.5Very low180 Ų180107.6 Ų107.683%0.83363%0.631SS**  trans-28.4102.7171.9-65.1-93000113.3S154H152-S154 PolarHBondContact O-N 3.4Å
153Q31Very low45.6Very low173 Ų173102.4 Ų102.481%0.80860%0.604SS**  trans-70.289.6160.3-86179.64.300107.2I151 D155I151-Q153 PolarHBondContact O-N 2.72Å; Q153-D155 PolarHBondContact O-N 3.42Å
154S31.5Very low48.9Very low100 Ų10097.5 Ų97.570%0.69957%0.572SS**  trans-54.8123.3167.151.90000109.7H152 S156H152-S154 PolarHBondContact O-N 3.4Å; S154-S156 PolarHBondContact O-N 2.74Å
155D31.3Very low51.9Low159 Ų15992.9 Ų92.985%0.8555%0.546SS*.  trans29.947.1162.1-70.2-19.9000114.7Q153 V157Q153-D155 PolarHBondContact O-N 3.42Å; D155-V157 PolarHBondContact O-N 2.85Å
156S35.5Very low55Low71 Ų7183.4 Ų83.450%0.49750%0.502SS..  trans-72.479.2175.362.60000105.4S154 C158S154-S156 PolarHBondContact O-N 2.74Å; S156-C158 PolarHBondContact O-N 2.78Å
157V44.6Very low57.8Low90 Ų9080.8 Ų80.855%0.54548%0.478SS..  trans-44.2115.1161174.70000103.8D155 S159D155-V157 PolarHBondContact O-N 2.85Å; V157-S159 VanDerWaalsContact C-N 3.35Å; V157-S159 WeakPolarHBondContact O-CA 3.28Å; V157-S159 VanDerWaalsContact O-CB 3.31Å; V157-S159 WeakPolarHBondContact O-CB 3.46Å; V157-S159 PolarHBondContact O-N 2.83Å
158C53.1Low60.7Low41 Ų4177.7 Ų77.728%0.27745%0.452SS..  trans-63.599.2-162.3-139.30000108.6I67 L137 S156I67-C158 VanDerWaalsContact CD1-O 3.24Å; I67-C158 WeakPolarHBondContact CD1-O 3.4Å; L137-C158 HydrophobicContact CB-CB 4.02Å; L137-C158 WeakPolarHBondContact CB-SG 3.33Å; L137-C158 HydrophobicContact CD1-CB 3.44Å; L137-C158 VanDerWaalsContact CD1-CB 3.44Å; L137-C158 HydrophobicContact CD2-CB 4.17Å; L137-C158 VanDerWaalsContact CD2-SG 3.54Å; L137-C158 HydrophobicContact CG-CB 4.02Å; L137-C158 VanDerWaalsContact CG-SG 3.54Å; S156-C158 PolarHBondContact O-N 2.78Å
159S69.2Low63.6Low82 Ų8271.2 Ų71.257%0.57341%0.413SS*.  trans-105.5114.1-158.463.50000110.2V157 S161V157-S159 VanDerWaalsContact C-N 3.35Å; V157-S159 WeakPolarHBondContact O-CA 3.28Å; V157-S159 VanDerWaalsContact O-CB 3.31Å; V157-S159 WeakPolarHBondContact O-CB 3.46Å; V157-S159 PolarHBondContact O-N 2.83Å; S159-S161 PolarHBondContact O-N 2.81Å
160L87.1Confident66.3Low16 Ų1665 Ų658%0.08438%0.38CS..  trans-78.999.3165.3-166.873.1000108E165 V169 G206 F207 I210L160-E165 HydrophobicContact CD1-CB 3.8Å; L160-V169 HydrophobicContact CD1-CG2 3.91Å; L160-V169 HydrophobicContact CD2-CG2 4.45Å; L160-G206 PolarHBondContact O-N 3.3Å; L160-F207 HydrophobicContact CB-CE2 4.46Å; L160-F207 HydrophobicContact CD2-CD1 4.36Å; L160-F207 HydrophobicContact CD2-CD2 4.19Å; L160-F207 HydrophobicContact CD2-CE2 4.35Å; L160-F207 HydrophobicContact CD2-CG 4.2Å; L160-I210 HydrophobicContact CD2-CD1 3.35Å; L160-I210 HydrophobicContact CD2-CG1 4.01Å
161S89.6Confident69.1Low42 Ų4268.1 Ų68.129%0.29437%0.366SS..  trans-101.4-31.5-163.271.40000113.7S159 E165 N252S159-S161 PolarHBondContact O-N 2.81Å; S161-E165 WeakPolarHBondContact CA-OE2 3.34Å; S161-E165 PolarHBondContact N-OE2 3.31Å; S161-E165 PolarHBondContact OG-OE2 3.22Å; S161-N252 PolarHBondContact O-ND2 3.15Å
162T93.8Very high71.4Confident8 Ų867.3 Ų67.35%0.04937%0.373CS..SBendtrans-117.8152.3-173.567.80000112.6T164 E165 G166 G206 L248 D491T162-T164 VanDerWaalsContact C-N 3.3Å; T162-T164 PolarHBondContact O-N 2.94Å; T162-E165 PolarHBondContact N-OE2 3.07Å; T162-E165 PolarHBondContact O-N 3.11Å; T162-E165 VanDerWaalsContact OG1-CB 3.23Å; T162-E165 WeakPolarHBondContact OG1-CB 3.43Å; T162-E165 VanDerWaalsContact OG1-CD 3.31Å; T162-E165 WeakPolarHBondContact OG1-CG 3.34Å; T162-E165 PolarHBondContact OG1-N 2.96Å; T162-E165 PolarHBondContact OG1-OE2 3Å; T162-E165 VanDerWaalsContact OG1-OE2 3.13Å; T162-G166 PolarHBondContact O-N 2.58Å; T162-G166 VanDerWaalsContact O-N 3.08Å; T162-G206 VanDerWaalsContact C-CA 3.45Å; T162-G206 WeakPolarHBondContact O-CA 3.41Å; T162-L248 HydrophobicContact CG2-CD1 3.96Å; T162-L248 HydrophobicContact CG2-CD2 3.98Å; T162-L248 HydrophobicContact CG2-CG 4.47Å; T162-D491 VanDerWaalsContact CB-OD2 3.3Å; T162-D491 WeakPolarHBondContact CB-OD2 3.46Å
163F95.4Very high73.6Confident11 Ų1161.9 Ų61.95%0.04837%0.366CS..Hα-helixtrans-54.6-45.7173.6178.2-95.2000111.6G166 Q167 G209 S212 N252 C255 I259 M494F163-G166 WeakPolarHBondContact O-CA 3.44Å; F163-G166 PolarHBondContact O-N 3.21Å; F163-Q167 HydrophobicContact CD1-CG 4.27Å; F163-Q167 HydrophobicContact CE1-CG 3.81Å; F163-Q167 HydrophobicContact CZ-CG 4Å; F163-Q167 PolarHBondContact O-N 2.84Å; F163-G209 VanDerWaalsContact CD2-CA 3.47Å; F163-G209 WeakPolarHBondContact O-CA 3.43Å; F163-S212 WeakPolarHBondContact CE2-OG 3.37Å; F163-S212 VanDerWaalsContact CZ-OG 3.31Å; F163-S212 WeakPolarHBondContact CZ-OG 3.04Å; F163-N252 PolarHBondContact N-OD1 2.94Å; F163-C255 HydrophobicContact CB-CB 4.17Å; F163-C255 HydrophobicContact CD1-CB 3.88Å; F163-C255 HydrophobicContact CD2-CB 3.34Å; F163-C255 HydrophobicContact CE1-CB 4.05Å; F163-C255 HydrophobicContact CE2-CB 3.57Å; F163-C255 HydrophobicContact CG-CB 3.52Å; F163-C255 HydrophobicContact CZ-CB 3.93Å; F163-I259 HydrophobicContact CE2-CD1 4.42Å; F163-I259 HydrophobicContact CZ-CD1 3.95Å; F163-M494 HydrophobicContact CD1-CE 4.26Å
164T94.4Very high76.3Confident13 Ų1355.1 Ų55.18%0.0834%0.338CS..Hα-helixtrans-67.7-38-179.7-63.10000112.5T162 G166 Q167 N168 D491 Y493T162-T164 VanDerWaalsContact C-N 3.3Å; T162-T164 PolarHBondContact O-N 2.94Å; T164-G166 PolarHBondContact O-N 2.79Å; T164-Q167 PolarHBondContact O-N 2.97Å; T164-N168 VanDerWaalsContact O-CB 3.31Å; T164-N168 WeakPolarHBondContact O-CB 3.45Å; T164-N168 PolarHBondContact O-N 2.89Å; T164-N168 PolarHBondContact O-ND2 3.36Å; T164-D491 VanDerWaalsContact CB-OD2 3.31Å; T164-D491 WeakPolarHBondContact CB-OD2 3.09Å; T164-D491 PolarHBondContact N-OD2 3.38Å; T164-D491 VanDerWaalsContact N-OD2 3.16Å; T164-D491 PolarHBondContact OG1-OD2 3.43Å; T164-Y493 VanDerWaalsContact CG2-CB 3.45Å
165E92.1Very high79Confident42 Ų4259 Ų5920%0.19634%0.342CS..Hα-helixtrans-56.3-41.4169.5-76.6168.4156.200111.3L160 S161 T162 N168 V169 Y493L160-E165 HydrophobicContact CD1-CB 3.8Å; S161-E165 WeakPolarHBondContact CA-OE2 3.34Å; S161-E165 PolarHBondContact N-OE2 3.31Å; S161-E165 PolarHBondContact OG-OE2 3.22Å; T162-E165 PolarHBondContact N-OE2 3.07Å; T162-E165 PolarHBondContact O-N 3.11Å; T162-E165 VanDerWaalsContact OG1-CB 3.23Å; T162-E165 WeakPolarHBondContact OG1-CB 3.43Å; T162-E165 VanDerWaalsContact OG1-CD 3.31Å; T162-E165 WeakPolarHBondContact OG1-CG 3.34Å; T162-E165 PolarHBondContact OG1-N 2.96Å; T162-E165 PolarHBondContact OG1-OE2 3Å; T162-E165 VanDerWaalsContact OG1-OE2 3.13Å; E165-N168 WeakPolarHBondContact O-CB 3.45Å; E165-N168 PolarHBondContact O-N 3.17Å; E165-V169 PolarHBondContact O-N 3.39Å; E165-Y493 HydrophobicContact CG-CD2 3.85Å; E165-Y493 HydrophobicContact CG-CE2 3.58Å; E165-Y493 WeakPolarHBondContact OE1-CE2 3.34Å
166G93.9Very high81.8Confident0 Ų052.6 Ų52.60%031%0.308CS..Hα-helixtrans-62.4-48.9177.400000114.2T162 F163 T164 N168 V169 G206 I210T162-G166 PolarHBondContact O-N 2.58Å; T162-G166 VanDerWaalsContact O-N 3.08Å; F163-G166 WeakPolarHBondContact O-CA 3.44Å; F163-G166 PolarHBondContact O-N 3.21Å; T164-G166 PolarHBondContact O-N 2.79Å; G166-N168 PolarHBondContact O-N 2.87Å; G166-V169 VanDerWaalsContact O-CB 3.3Å; G166-V169 WeakPolarHBondContact O-CB 3.36Å; G166-V169 WeakPolarHBondContact O-CG2 3.23Å; G166-V169 PolarHBondContact O-N 3Å; G166-G206 WeakPolarHBondContact CA-O 3.43Å; G166-I210 WeakPolarHBondContact O-CG1 3.37Å
167Q93Very high84.5Confident53 Ų5349.4 Ų49.425%0.24829%0.286CS..Hα-helixtrans-59.2-38.8174.4-70-175.5-58.600110.9F163 T164 V169 F170F163-Q167 HydrophobicContact CD1-CG 4.27Å; F163-Q167 HydrophobicContact CE1-CG 3.81Å; F163-Q167 HydrophobicContact CZ-CG 4Å; F163-Q167 PolarHBondContact O-N 2.84Å; T164-Q167 PolarHBondContact O-N 2.97Å; Q167-V169 PolarHBondContact O-N 3.12Å; Q167-V169 VanDerWaalsContact O-N 3.15Å; Q167-F170 PolarHBondContact O-N 3.07Å; Q167-F170 VanDerWaalsContact O-N 3.13Å
168N91.2Very high86.8Confident45 Ų4548.9 Ų48.924%0.24128%0.281CS..Hα-helixtrans-65.9-17.1-178.7-72.9-35000114.2T164 E165 G166 F170 R171T164-N168 VanDerWaalsContact O-CB 3.31Å; T164-N168 WeakPolarHBondContact O-CB 3.45Å; T164-N168 PolarHBondContact O-N 2.89Å; T164-N168 PolarHBondContact O-ND2 3.36Å; E165-N168 WeakPolarHBondContact O-CB 3.45Å; E165-N168 PolarHBondContact O-N 3.17Å; G166-N168 PolarHBondContact O-N 2.87Å; N168-F170 VanDerWaalsContact C-N 3.26Å; N168-F170 PolarHBondContact O-N 3.24Å; N168-R171 HydrophobicContact CB-CG 4.48Å; N168-R171 VanDerWaalsContact CG-NE 3.32Å; N168-R171 PolarHBondContact ND2-NH2 3.34Å; N168-R171 VanDerWaalsContact ND2-NH2 3.19Å; N168-R171 WeakPolarHBondContact O-CG 3.41Å; N168-R171 VanDerWaalsContact OD1-CZ 3.27Å; N168-R171 PolarHBondContact OD1-NE 3.47Å; N168-R171 PolarHBondContact OD1-NH2 2.82Å
169V90.1Very high88.7Confident8 Ų850.6 Ų50.65%0.04829%0.285CS..Hα-helixtrans-62.1-37.4173.4176.60000111.5L135 L139 L160 E165 G166 Q167 V176 I210L135-V169 HydrophobicContact CD1-CG1 4.03Å; L135-V169 HydrophobicContact CD2-CG1 3.68Å; L135-V169 HydrophobicContact CG-CG1 4.38Å; L139-V169 HydrophobicContact CD1-CG2 3.9Å; L160-V169 HydrophobicContact CD1-CG2 3.91Å; L160-V169 HydrophobicContact CD2-CG2 4.45Å; E165-V169 PolarHBondContact O-N 3.39Å; G166-V169 VanDerWaalsContact O-CB 3.3Å; G166-V169 WeakPolarHBondContact O-CB 3.36Å; G166-V169 WeakPolarHBondContact O-CG2 3.23Å; G166-V169 PolarHBondContact O-N 3Å; Q167-V169 PolarHBondContact O-N 3.12Å; Q167-V169 VanDerWaalsContact O-N 3.15Å; V169-V176 HydrophobicContact CG1-CG1 4.25Å; V169-I210 HydrophobicContact CB-CD1 4.5Å; V169-I210 HydrophobicContact CB-CG1 4.31Å; V169-I210 HydrophobicContact CG1-CD1 4.49Å; V169-I210 HydrophobicContact CG2-CD1 4.2Å; V169-I210 HydrophobicContact CG2-CG1 4.28Å
170F88.9Confident90Very high5 Ų546.7 Ų46.72%0.02226%0.257CS..THydrogen-bonded Turntrans-111.534.5-174.6-71-40.6000112.2I65 L133 L135 Q167 N168 S172 V176 A177 C180 I210 Q213 L214I65-F170 HydrophobicContact CD1-CE2 4.47Å; I65-F170 HydrophobicContact CD1-CZ 4.14Å; I65-F170 HydrophobicContact CG2-CZ 4.47Å; L133-F170 HydrophobicContact CD2-CE1 4.07Å; L133-F170 HydrophobicContact CD2-CZ 4.17Å; L135-F170 HydrophobicContact CD2-CE1 4.49Å; Q167-F170 PolarHBondContact O-N 3.07Å; Q167-F170 VanDerWaalsContact O-N 3.13Å; N168-F170 VanDerWaalsContact C-N 3.26Å; N168-F170 PolarHBondContact O-N 3.24Å; F170-S172 PolarHBondContact O-N 3.36Å; F170-V176 HydrophobicContact CD1-CG1 4.1Å; F170-V176 HydrophobicContact CE1-CG1 3.82Å; F170-A177 HydrophobicContact CB-CB 4.23Å; F170-A177 HydrophobicContact CD1-CB 4.18Å; F170-C180 HydrophobicContact CD1-CB 4.41Å; F170-C180 HydrophobicContact CE1-CB 3.62Å; F170-C180 HydrophobicContact CZ-CB 3.89Å; F170-I210 HydrophobicContact CD2-CG2 4.39Å; F170-I210 HydrophobicContact CE2-CG2 3.71Å; F170-I210 HydrophobicContact CZ-CG2 4.49Å; F170-Q213 HydrophobicContact CB-CB 4.26Å; F170-Q213 HydrophobicContact CB-CG 3.63Å; F170-Q213 HydrophobicContact CD2-CB 4.02Å; F170-Q213 HydrophobicContact CD2-CG 4.11Å; F170-Q213 HydrophobicContact CG-CG 4.35Å; F170-L214 HydrophobicContact CE2-CD2 3.84Å; F170-L214 HydrophobicContact CE2-CG 4.15Å; F170-L214 HydrophobicContact CZ-CD2 4.36Å
171R84.6Confident90.4Very high148 Ų14848.4 Ų48.456%0.55827%0.266SS*.  trans-51.1137.4171.4-76.2175.4178.8-169.42110.4N168 G173 S174N168-R171 HydrophobicContact CB-CG 4.48Å; N168-R171 VanDerWaalsContact CG-NE 3.32Å; N168-R171 PolarHBondContact ND2-NH2 3.34Å; N168-R171 VanDerWaalsContact ND2-NH2 3.19Å; N168-R171 WeakPolarHBondContact O-CG 3.41Å; N168-R171 VanDerWaalsContact OD1-CZ 3.27Å; N168-R171 PolarHBondContact OD1-NE 3.47Å; N168-R171 PolarHBondContact OD1-NH2 2.82Å; R171-G173 PolarHBondContact O-N 3.02Å; R171-S174 WeakPolarHBondContact O-CB 3.28Å; R171-S174 PolarHBondContact O-N 3.04Å; R171-S174 PolarHBondContact O-OG 2.94Å
172S77.8Confident90.7Very high126 Ų12650.7 Ų50.788%0.88128%0.276SS*.THydrogen-bonded Turntrans-52.9132.3179.2-48.80000111.3F170 S174F170-S172 PolarHBondContact O-N 3.36Å; S172-S174 VanDerWaalsContact C-N 3.26Å; S172-S174 PolarHBondContact O-N 3.11Å
173G78.3Confident90.8Very high66 Ų6651 Ų5168%0.6828%0.276SS*.THydrogen-bonded Turntrans76.35.4-176.900000115R171R171-G173 PolarHBondContact O-N 3.02Å
174S86.2Confident90.9Very high32 Ų3250.7 Ų50.722%0.22427%0.274CS..  trans-76140.8168.572.40000110.4R171 S172 V176 A177 D178R171-S174 WeakPolarHBondContact O-CB 3.28Å; R171-S174 PolarHBondContact O-N 3.04Å; R171-S174 PolarHBondContact O-OG 2.94Å; S172-S174 VanDerWaalsContact C-N 3.26Å; S172-S174 PolarHBondContact O-N 3.11Å; S174-V176 PolarHBondContact O-N 3.31Å; S174-V176 VanDerWaalsContact O-N 3.08Å; S174-A177 WeakPolarHBondContact O-CB 3.27Å; S174-A177 PolarHBondContact O-N 3.01Å; S174-A177 VanDerWaalsContact OG-CB 3.31Å; S174-A177 WeakPolarHBondContact OG-CB 3.44Å; S174-A177 PolarHBondContact OG-N 2.85Å; S174-D178 PolarHBondContact O-N 3.2Å
175K88.8Confident90.9Very high181 Ų18156.4 Ų56.479%0.78730%0.295SS*.Hα-helixtrans-55.6-31.2178.2-66.2-176.8178.7-179.40113.3E179K175-E179 WeakPolarHBondContact O-CB 3.33Å; K175-E179 PolarHBondContact O-N 3.47Å
176V90.7Very high91Very high24 Ų2460 Ų6015%0.14531%0.307CS..Hα-helixtrans-75.4-36.5-178.3179.50000110.9L133 L135 P136 V169 F170 S174 C180L133-V176 HydrophobicContact CD2-CG1 4.49Å; L135-V176 HydrophobicContact CD2-CG1 3.59Å; P136-V176 HydrophobicContact CG-CG2 3.82Å; V169-V176 HydrophobicContact CG1-CG1 4.25Å; F170-V176 HydrophobicContact CD1-CG1 4.1Å; F170-V176 HydrophobicContact CE1-CG1 3.82Å; S174-V176 PolarHBondContact O-N 3.31Å; S174-V176 VanDerWaalsContact O-N 3.08Å; V176-C180 WeakPolarHBondContact O-CB 3.13Å; V176-C180 PolarHBondContact O-N 3.09Å
177A91.2Very high91.1Very high4 Ų460.5 Ų60.53%0.03331%0.309CS..Hα-helixtrans-64.4-52.2171.500000110.6F170 S174 E179 C180 D181F170-A177 HydrophobicContact CB-CB 4.23Å; F170-A177 HydrophobicContact CD1-CB 4.18Å; S174-A177 WeakPolarHBondContact O-CB 3.27Å; S174-A177 PolarHBondContact O-N 3.01Å; S174-A177 VanDerWaalsContact OG-CB 3.31Å; S174-A177 WeakPolarHBondContact OG-CB 3.44Å; S174-A177 PolarHBondContact OG-N 2.85Å; A177-E179 VanDerWaalsContact C-N 3.28Å; A177-E179 PolarHBondContact O-N 3.45Å; A177-C180 WeakPolarHBondContact O-CA 3.44Å; A177-C180 WeakPolarHBondContact O-CB 3.33Å; A177-C180 PolarHBondContact O-N 3Å; A177-D181 PolarHBondContact O-N 2.91Å
178D92.8Very high91.2Very high80 Ų8058.6 Ų58.643%0.42830%0.302SS..Hα-helixtrans-57-43.1179.2-59.5-19000111.3S174 C180 D181 D182S174-D178 PolarHBondContact O-N 3.2Å; D178-C180 VanDerWaalsContact C-N 3.35Å; D178-C180 PolarHBondContact O-N 3.35Å; D178-D181 PolarHBondContact O-N 3.38Å; D178-D182 WeakPolarHBondContact O-CB 3.3Å; D178-D182 PolarHBondContact O-N 3Å
179E94.3Very high91.4Very high76 Ų7662.9 Ų62.936%0.35532%0.32SS..Hα-helixtrans-65.2-37.2176.8-174.7178.5174.400112.5L133 K175 A177 R183L133-E179 HydrophobicContact CD1-CB 4.39Å; L133-E179 HydrophobicContact CD1-CG 3.83Å; K175-E179 WeakPolarHBondContact O-CB 3.33Å; K175-E179 PolarHBondContact O-N 3.47Å; A177-E179 VanDerWaalsContact C-N 3.28Å; A177-E179 PolarHBondContact O-N 3.45Å; E179-R183 WeakPolarHBondContact O-CB 3.38Å; E179-R183 WeakPolarHBondContact O-CG 3.38Å; E179-R183 PolarHBondContact O-N 2.85Å; E179-R183 IonicContact OE1-CZ 2.91Å; E179-R183 IonicContact OE1-NE 3.78Å; E179-R183 PolarHBondContact OE1-NE 3.46Å; E179-R183 IonicContact OE1-NH2 2.67Å; E179-R183 PolarHBondContact OE1-NH2 3.48Å
180C95.8Very high91.4Very high0 Ų066.3 Ų66.30%033%0.332CS..Hα-helixtrans-64.6-50.2176.1-172.30000111L133 F170 V176 A177 D178 D182 R183 I184L133-C180 HydrophobicContact CD2-CB 3.65Å; F170-C180 HydrophobicContact CD1-CB 4.41Å; F170-C180 HydrophobicContact CE1-CB 3.62Å; F170-C180 HydrophobicContact CZ-CB 3.89Å; V176-C180 WeakPolarHBondContact O-CB 3.13Å; V176-C180 PolarHBondContact O-N 3.09Å; A177-C180 WeakPolarHBondContact O-CA 3.44Å; A177-C180 WeakPolarHBondContact O-CB 3.33Å; A177-C180 PolarHBondContact O-N 3Å; D178-C180 VanDerWaalsContact C-N 3.35Å; D178-C180 PolarHBondContact O-N 3.35Å; C180-D182 PolarHBondContact O-N 3.12Å; C180-R183 WeakPolarHBondContact O-CB 3.41Å; C180-R183 PolarHBondContact O-N 2.75Å; C180-R183 VanDerWaalsContact O-N 3.11Å; C180-I184 WeakPolarHBondContact O-CG1 3.12Å; C180-I184 PolarHBondContact O-N 2.87Å
181D95Very high91.6Very high52 Ų5266.6 Ų66.628%0.27834%0.335SS..Hα-helixtrans-62.2-43.9-179.9-65.4-20.7000110.6A177 D178 R183 I184 R185 N217A177-D181 PolarHBondContact O-N 2.91Å; D178-D181 PolarHBondContact O-N 3.38Å; D181-R183 VanDerWaalsContact C-N 3.29Å; D181-R183 PolarHBondContact O-N 2.93Å; D181-I184 PolarHBondContact O-N 3.23Å; D181-R185 WeakPolarHBondContact O-CB 3.41Å; D181-R185 PolarHBondContact O-N 2.69Å; D181-N217 PolarHBondContact OD1-ND2 3.3Å
182D95.9Very high91.9Very high91 Ų9162.8 Ų62.849%0.48734%0.335SS..Hα-helixtrans-59.8-37.1174.1-83.3-13.2000112.7D178 C180 R186D178-D182 WeakPolarHBondContact O-CB 3.3Å; D178-D182 PolarHBondContact O-N 3Å; C180-D182 PolarHBondContact O-N 3.12Å; D182-R186 WeakPolarHBondContact O-CB 3.24Å; D182-R186 VanDerWaalsContact O-CG 3.3Å; D182-R186 WeakPolarHBondContact O-CG 3.46Å; D182-R186 PolarHBondContact O-N 3.21Å; D182-R186 PolarHBondContact O-NE 2.93Å
183R96.6Very high92.4Very high15 Ų1561.5 Ų61.56%0.05731%0.313CS..Hα-helixtrans-69.5-43.6176.5-75.8175.5-173.3-121.82.9111L63 D130 V132 E179 C180 D181 R186 I187L63-R183 HydrophobicContact CD1-CB 4.17Å; L63-R183 HydrophobicContact CD1-CG 4.49Å; L63-R183 HydrophobicContact CD2-CB 3.93Å; D130-R183 VanDerWaalsContact CG-NH2 3.31Å; D130-R183 PolarHBondContact O-NH1 2.96Å; D130-R183 IonicContact OD1-CZ 2.58Å; D130-R183 IonicContact OD1-NH1 3.78Å; D130-R183 PolarHBondContact OD1-NH1 3.1Å; D130-R183 IonicContact OD1-NH2 3.27Å; D130-R183 PolarHBondContact OD1-NH2 3.47Å; D130-R183 IonicContact OD2-CZ 3.29Å; D130-R183 IonicContact OD2-NH1 3.55Å; D130-R183 PolarHBondContact OD2-NH1 2.87Å; D130-R183 VanDerWaalsContact OD2-NH1 3.12Å; D130-R183 IonicContact OD2-NH2 2.73Å; D130-R183 PolarHBondContact OD2-NH2 3.47Å; V132-R183 PolarHBondContact O-NH1 3.14Å; E179-R183 WeakPolarHBondContact O-CB 3.38Å; E179-R183 WeakPolarHBondContact O-CG 3.38Å; E179-R183 PolarHBondContact O-N 2.85Å; E179-R183 IonicContact OE1-CZ 2.91Å; E179-R183 IonicContact OE1-NE 3.78Å; E179-R183 PolarHBondContact OE1-NE 3.46Å; E179-R183 IonicContact OE1-NH2 2.67Å; E179-R183 PolarHBondContact OE1-NH2 3.48Å; C180-R183 WeakPolarHBondContact O-CB 3.41Å; C180-R183 PolarHBondContact O-N 2.75Å; C180-R183 VanDerWaalsContact O-N 3.11Å; D181-R183 VanDerWaalsContact C-N 3.29Å; D181-R183 PolarHBondContact O-N 2.93Å; R183-R186 PolarHBondContact O-N 3.05Å; R183-I187 WeakPolarHBondContact O-CD1 3.35Å; R183-I187 VanDerWaalsContact O-CG1 3.25Å; R183-I187 WeakPolarHBondContact O-CG1 3.3Å; R183-I187 PolarHBondContact O-N 3.37Å
184I96.5Very high92.9Very high3 Ų359.7 Ų59.72%0.01529%0.29CS..Hα-helixtrans-62.4-45.7177.3-66.8171.3000110.1L11 L63 C180 D181 R186 I187 S188 F197 L214 F222L11-I184 HydrophobicContact CD1-CD1 4Å; L11-I184 HydrophobicContact CD2-CD1 4.24Å; L11-I184 HydrophobicContact CD2-CG1 4.06Å; L63-I184 HydrophobicContact CD2-CG1 3.92Å; C180-I184 WeakPolarHBondContact O-CG1 3.12Å; C180-I184 PolarHBondContact O-N 2.87Å; D181-I184 PolarHBondContact O-N 3.23Å; I184-R186 PolarHBondContact O-N 3.31Å; I184-I187 WeakPolarHBondContact O-CB 3.28Å; I184-I187 PolarHBondContact O-N 3.27Å; I184-I187 VanDerWaalsContact O-N 3.08Å; I184-S188 PolarHBondContact O-N 3.36Å; I184-F197 HydrophobicContact CG2-CE1 4.35Å; I184-L214 HydrophobicContact CD1-CD2 4.29Å; I184-F222 HydrophobicContact CG2-CE2 4.45Å
185R95.4Very high92.9Very high134 Ų13459.4 Ų59.451%0.50629%0.286SS..Hα-helixtrans-60-45.1176.3-164.3-176.7-157.3127.912.8112.6D181 I187 S188 E189D181-R185 WeakPolarHBondContact O-CB 3.41Å; D181-R185 PolarHBondContact O-N 2.69Å; R185-I187 VanDerWaalsContact C-N 3.26Å; R185-I187 PolarHBondContact O-N 3.26Å; R185-S188 WeakPolarHBondContact CA-OG 3.35Å; R185-S188 PolarHBondContact O-N 3.18Å; R185-S188 PolarHBondContact O-OG 3.17Å; R185-E189 HydrophobicContact CG-CG 4.46Å; R185-E189 IonicContact NE-OE1 3.22Å; R185-E189 WeakPolarHBondContact O-CB 3.3Å; R185-E189 VanDerWaalsContact O-CG 3.29Å; R185-E189 WeakPolarHBondContact O-CG 3.5Å; R185-E189 PolarHBondContact O-N 2.76Å
186R95.1Very high93.1Very high118 Ų11850.8 Ų50.845%0.44525%0.248SC..Hα-helixtrans-63.3-31174.5-79.5178.9-78.4130.8-14.4113D182 R183 I184 R190D182-R186 WeakPolarHBondContact O-CB 3.24Å; D182-R186 VanDerWaalsContact O-CG 3.3Å; D182-R186 WeakPolarHBondContact O-CG 3.46Å; D182-R186 PolarHBondContact O-N 3.21Å; D182-R186 PolarHBondContact O-NE 2.93Å; R183-R186 PolarHBondContact O-N 3.05Å; I184-R186 PolarHBondContact O-N 3.31Å; R186-R190 WeakPolarHBondContact O-CG 3.5Å; R186-R190 PolarHBondContact O-NE 2.94Å
187I96Very high93.4Very high10 Ų1049.7 Ų49.75%0.05124%0.241CC..Hα-helixtrans-69.7-48.5173-64.4159.7000109.5I9 H61 A62 L63 R183 I184 R185 E189 R190 C191I9-I187 HydrophobicContact CD1-CG2 4.06Å; I9-I187 HydrophobicContact CG1-CG2 3.91Å; I9-I187 HydrophobicContact CG2-CG2 4.02Å; H61-I187 HydrophobicContact CB-CG2 4.13Å; A62-I187 WeakPolarHBondContact O-CD1 3.25Å; L63-I187 HydrophobicContact CB-CD1 3.88Å; R183-I187 WeakPolarHBondContact O-CD1 3.35Å; R183-I187 VanDerWaalsContact O-CG1 3.25Å; R183-I187 WeakPolarHBondContact O-CG1 3.3Å; R183-I187 PolarHBondContact O-N 3.37Å; I184-I187 WeakPolarHBondContact O-CB 3.28Å; I184-I187 PolarHBondContact O-N 3.27Å; I184-I187 VanDerWaalsContact O-N 3.08Å; R185-I187 VanDerWaalsContact C-N 3.26Å; R185-I187 PolarHBondContact O-N 3.26Å; I187-E189 PolarHBondContact O-N 3.48Å; I187-R190 PolarHBondContact O-N 2.78Å; I187-C191 PolarHBondContact O-SG 2.98Å
188S95.2Very high93.6Very high13 Ų1349.7 Ų49.79%0.09124%0.241CC..Hα-helixtrans-64.4-37.3-177.473.10000113.1I184 R185 R190 C191I184-S188 PolarHBondContact O-N 3.36Å; R185-S188 WeakPolarHBondContact CA-OG 3.35Å; R185-S188 PolarHBondContact O-N 3.18Å; R185-S188 PolarHBondContact O-OG 3.17Å; S188-R190 PolarHBondContact O-N 3.06Å; S188-C191 WeakPolarHBondContact O-CB 3.31Å; S188-C191 PolarHBondContact O-N 2.82Å
189E94.2Very high93.9Very high134 Ų13446 Ų4663%0.62622%0.221SC*.THydrogen-bonded Turntrans-64.3-21.6176.6-75.5172.5177.700113.7R185 I187R185-E189 HydrophobicContact CG-CG 4.46Å; R185-E189 IonicContact NE-OE1 3.22Å; R185-E189 WeakPolarHBondContact O-CB 3.3Å; R185-E189 VanDerWaalsContact O-CG 3.29Å; R185-E189 WeakPolarHBondContact O-CG 3.5Å; R185-E189 PolarHBondContact O-N 2.76Å; I187-E189 PolarHBondContact O-N 3.48Å
190R91.2Very high94.1Very high80 Ų8042.4 Ų42.430%0.30220%0.204SC..THydrogen-bonded Turntrans-84.7-20.5173.8-64.4176.8-59.3164.312.8112.4R186 I187 S188R186-R190 WeakPolarHBondContact O-CG 3.5Å; R186-R190 PolarHBondContact O-NE 2.94Å; I187-R190 PolarHBondContact O-N 2.78Å; S188-R190 PolarHBondContact O-N 3.06Å
191C92.4Very high94.3Very high12 Ų1242.4 Ų42.48%0.08120%0.204CC..  trans-79.1138175.1-58.90000109.6E7 I187 S188 P194E7-C191 HydrophobicContact CB-CB 4.08Å; E7-C191 VanDerWaalsContact OE2-C 3.29Å; E7-C191 VanDerWaalsContact OE2-CA 3.27Å; E7-C191 WeakPolarHBondContact OE2-CA 3.4Å; E7-C191 VanDerWaalsContact OE2-CB 3.31Å; E7-C191 WeakPolarHBondContact OE2-CB 3.44Å; I187-C191 PolarHBondContact O-SG 2.98Å; S188-C191 WeakPolarHBondContact O-CB 3.31Å; S188-C191 PolarHBondContact O-N 2.82Å; C191-P194 HydrophobicContact CB-CB 3.66Å; C191-P194 HydrophobicContact CB-CG 3.99Å
192A90Very high94.4Very high67 Ų6740.2 Ų40.255%0.55419%0.193SC*.SBendtrans-71.2-33166.500000112.3E7E7-A192 WeakPolarHBondContact OE2-CA 3.32Å; E7-A192 PolarHBondContact OE2-N 2.95Å
193F88.4Confident94.5Very high99 Ų9935.9 Ų35.943%0.43417%0.17SC..  trans-145.474.1180-160-120.1000112.6E7 N195E7-F193 PolarHBondContact N-O 3.45Å; E7-F193 PolarHBondContact OE2-N 3.12Å; F193-N195 VanDerWaalsContact C-N 3.26Å; F193-N195 HydrophobicContact CD1-CB 4.02Å; F193-N195 HydrophobicContact CE1-CB 3.75Å; F193-N195 VanDerWaalsContact CE1-CG 3.44Å; F193-N195 WeakPolarHBondContact CE1-ND2 3.48Å; F193-N195 HydrophobicContact CZ-CB 4.12Å; F193-N195 PolarHBondContact O-N 3.48Å
194P89.4Confident94.5Very high28 Ų2836.2 Ų36.218%0.18217%0.172CC..  trans-7865.2-179.633-35.3000112.2I9 C191I9-P194 HydrophobicContact CD1-CB 3.86Å; C191-P194 HydrophobicContact CB-CB 3.66Å; C191-P194 HydrophobicContact CB-CG 3.99Å
195N85.6Confident94.4Very high26 Ų2638.2 Ų38.214%0.13918%0.182CC..  trans-97.72.5-176.679.4-26.1000113.8G6 F193 A225 F226G6-N195 WeakPolarHBondContact CA-OD1 3.14Å; F193-N195 VanDerWaalsContact C-N 3.26Å; F193-N195 HydrophobicContact CD1-CB 4.02Å; F193-N195 HydrophobicContact CE1-CB 3.75Å; F193-N195 VanDerWaalsContact CE1-CG 3.44Å; F193-N195 WeakPolarHBondContact CE1-ND2 3.48Å; F193-N195 HydrophobicContact CZ-CB 4.12Å; F193-N195 PolarHBondContact O-N 3.48Å; N195-A225 VanDerWaalsContact O-CA 3.28Å; N195-A225 WeakPolarHBondContact O-CA 3.37Å; N195-F226 PolarHBondContact O-N 2.96Å
196S93.6Very high94.3Very high0 Ų031.8 Ų31.80%016%0.158CC..EExtended strand (participates in β ladder)trans-137.8138.5-169.3-64.40000111.1I8 I9 F226I8-S196 WeakPolarHBondContact CA-O 3.39Å; I9-S196 PolarHBondContact N-O 2.99Å; S196-F226 CarbonylContact C-O 3.55Å; S196-F226 WeakPolarHBondContact CA-O 3.35Å
197F96.2Very high94.4Very high1 Ų126.5 Ų26.50%0.00414%0.138CC..EExtended strand (participates in β ladder)trans-127.5138.7178.7-69.7-100.7000110.3I9 I184 I218 F222 A225 F226 I227 F228I9-F197 HydrophobicContact CB-CD1 3.81Å; I9-F197 HydrophobicContact CB-CE1 3.79Å; I9-F197 HydrophobicContact CB-CZ 4.5Å; I9-F197 HydrophobicContact CD1-CE1 3.92Å; I9-F197 HydrophobicContact CD1-CZ 3.97Å; I9-F197 HydrophobicContact CG1-CE1 4.39Å; I9-F197 HydrophobicContact CG2-CD1 4.07Å; I9-F197 HydrophobicContact CG2-CE1 3.95Å; I9-F197 CarbonylContact O-C 3.56Å; I9-F197 VanDerWaalsContact O-CA 3.29Å; I9-F197 WeakPolarHBondContact O-CA 3.47Å; I184-F197 HydrophobicContact CG2-CE1 4.35Å; F197-I218 HydrophobicContact CB-CD1 4.35Å; F197-I218 HydrophobicContact CD1-CD1 3.66Å; F197-I218 HydrophobicContact CD1-CG1 3.94Å; F197-I218 HydrophobicContact CD1-CG2 4.14Å; F197-I218 HydrophobicContact CD2-CG2 3.71Å; F197-I218 HydrophobicContact CE1-CD1 4.18Å; F197-I218 HydrophobicContact CE1-CG1 3.95Å; F197-I218 HydrophobicContact CE1-CG2 4.26Å; F197-I218 HydrophobicContact CE2-CG2 3.85Å; F197-I218 HydrophobicContact CG-CD1 4.09Å; F197-I218 HydrophobicContact CG-CG1 4.44Å; F197-I218 HydrophobicContact CG-CG2 3.86Å; F197-I218 HydrophobicContact CZ-CG1 4.48Å; F197-I218 HydrophobicContact CZ-CG2 4.12Å; F197-F222 HydrophobicContact CE1-CD2 4.47Å; F197-F222 HydrophobicContact CE1-CE2 4.47Å; F197-F222 HydrophobicContact CE2-CB 3.99Å; F197-F222 HydrophobicContact CE2-CD1 4.25Å; F197-F222 AromaticContact CE2-CD2 3.8Å; F197-F222 HydrophobicContact CE2-CD2 3.8Å; F197-F222 HydrophobicContact CE2-CE2 4.36Å; F197-F222 AromaticContact CE2-CG 3.75Å; F197-F222 HydrophobicContact CE2-CG 3.75Å; F197-F222 HydrophobicContact CZ-CD1 4.31Å; F197-F222 AromaticContact CZ-CD2 3.44Å; F197-F222 HydrophobicContact CZ-CD2 3.44Å; F197-F222 VanDerWaalsContact CZ-CD2 3.44Å; F197-F222 HydrophobicContact CZ-CE1 4.44Å; F197-F222 AromaticContact CZ-CE2 3.61Å; F197-F222 HydrophobicContact CZ-CE2 3.61Å; F197-F222 AromaticContact CZ-CG 3.84Å; F197-F222 HydrophobicContact CZ-CG 3.84Å; F197-F222 HydrophobicContact CZ-CZ 4.12Å; F197-A225 HydrophobicContact CD2-CB 3.69Å; F197-A225 HydrophobicContact CE2-CB 3.89Å; F197-F226 PolarHBondContact N-O 2.66Å; F197-I227 HydrophobicContact CB-CG1 4.34Å; F197-I227 WeakPolarHBondContact O-CA 3.43Å; F197-F228 PolarHBondContact O-N 3.45Å
198Q97.1Very high94.5Very high4 Ų426 Ų262%0.01914%0.136CC..EExtended strand (participates in β ladder)trans-113.1118.4168.3-178.3-179.9-80.900108.5I8 I9 T10 L11 V200 F228I8-Q198 HydrophobicContact CG2-CB 3.82Å; I9-Q198 PolarHBondContact O-N 3.1Å; T10-Q198 CarbonylContact C-O 3.43Å; T10-Q198 VanDerWaalsContact CA-O 3.28Å; T10-Q198 WeakPolarHBondContact CA-O 3.38Å; T10-Q198 HydrophobicContact CG2-CB 4.41Å; T10-Q198 HydrophobicContact CG2-CG 4.48Å; L11-Q198 PolarHBondContact N-O 2.78Å; Q198-V200 HydrophobicContact CG-CG2 4.22Å; Q198-F228 CarbonylContact C-O 3.49Å; Q198-F228 VanDerWaalsContact CA-O 3.26Å; Q198-F228 WeakPolarHBondContact CA-O 3.26Å; Q198-F228 HydrophobicContact CG-CD1 4.17Å
199L98.7Very high94.6Very high3 Ų325.4 Ų25.42%0.01613%0.132CC..EExtended strand (participates in β ladder)trans-102.6127.2174177.264000109.4L11 V201 L214 L215 F228 S229 V230L11-L199 HydrophobicContact CB-CD1 4.06Å; L11-L199 CarbonylContact O-C 3.49Å; L11-L199 WeakPolarHBondContact O-CA 3.43Å; L199-V201 HydrophobicContact CD1-CB 4.35Å; L199-V201 HydrophobicContact CD2-CG1 4.29Å; L199-V201 HydrophobicContact CG-CB 4.32Å; L199-V201 HydrophobicContact CG-CG1 4.29Å; L199-L214 HydrophobicContact CD1-CD1 4.15Å; L199-L215 HydrophobicContact CD2-CD1 3.84Å; L199-L215 HydrophobicContact CD2-CD2 3.79Å; L199-L215 HydrophobicContact CD2-CG 3.67Å; L199-F228 PolarHBondContact N-O 3.43Å; L199-S229 CarbonylContact O-C 3.51Å; L199-S229 WeakPolarHBondContact O-CA 3.46Å; L199-V230 PolarHBondContact O-N 2.95Å
200V98.9Very high94.7Very high0 Ų019 Ų190%010%0.102CC..EExtended strand (participates in β ladder)trans-122116170-169.30000108.3L11 Q12 A13 A17 C21 Q198 V230 V232 I296L11-V200 PolarHBondContact O-N 3.19Å; Q12-V200 CarbonylContact C-O 3.51Å; Q12-V200 WeakPolarHBondContact CA-O 3.25Å; Q12-V200 HydrophobicContact CB-CB 4.42Å; A13-V200 PolarHBondContact N-O 2.89Å; A17-V200 HydrophobicContact CB-CG1 3.95Å; A17-V200 WeakPolarHBondContact CB-O 3.41Å; C21-V200 VanDerWaalsContact SG-CB 3.59Å; Q198-V200 HydrophobicContact CG-CG2 4.22Å; V200-V230 WeakPolarHBondContact CA-O 3.5Å; V200-V230 HydrophobicContact CG1-CB 4.24Å; V200-V230 HydrophobicContact CG1-CG1 4.37Å; V200-V230 HydrophobicContact CG2-CB 4.2Å; V200-V232 HydrophobicContact CG1-CG2 3.6Å; V200-I296 HydrophobicContact CG1-CD1 4.43Å
201V98.7Very high95Very high1 Ų115.2 Ų15.21%0.0069%0.087CC..EExtended strand (participates in β ladder)trans-138.2144.9-168.665.10000111.5A13 L199 A203 F207 V230 P231 V232 L256A13-V201 HydrophobicContact CB-CG2 4.05Å; A13-V201 WeakPolarHBondContact O-CA 3.17Å; L199-V201 HydrophobicContact CD1-CB 4.35Å; L199-V201 HydrophobicContact CD2-CG1 4.29Å; L199-V201 HydrophobicContact CG-CB 4.32Å; L199-V201 HydrophobicContact CG-CG1 4.29Å; V201-A203 PolarHBondContact O-N 2.93Å; V201-F207 HydrophobicContact CG2-CB 4.28Å; V201-F207 VanDerWaalsContact CG2-O 3.29Å; V201-F207 WeakPolarHBondContact CG2-O 3.37Å; V201-V230 PolarHBondContact N-O 2.84Å; V201-V230 VanDerWaalsContact N-O 3.15Å; V201-P231 CarbonylContact O-C 3.46Å; V201-P231 WeakPolarHBondContact O-CA 3.31Å; V201-V232 PolarHBondContact O-N 3.15Å; V201-L256 HydrophobicContact CG1-CD1 4.35Å; V201-L256 HydrophobicContact CG1-CD2 3.7Å
202N97.8Very high95.3Very high6 Ų614.7 Ų14.73%0.0328%0.084CC..EExtended strand (participates in β ladder)trans-60.1134.6168.9-65.711000109.4A13 G14 L16 A17 D205 F207 T208A13-N202 PolarHBondContact O-N 3.19Å; A13-N202 VanDerWaalsContact O-N 3.08Å; G14-N202 VanDerWaalsContact C-OD1 3.26Å; G14-N202 WeakPolarHBondContact CA-OD1 3.1Å; G14-N202 PolarHBondContact O-OD1 3.24Å; L16-N202 WeakPolarHBondContact CB-OD1 3.11Å; L16-N202 PolarHBondContact N-OD1 3.08Å; L16-N202 VanDerWaalsContact N-OD1 3.11Å; A17-N202 PolarHBondContact N-OD1 3Å; N202-D205 WeakPolarHBondContact CB-OD1 3.39Å; N202-D205 PolarHBondContact ND2-OD2 3.47Å; N202-F207 HydrophobicContact CB-CB 4.09Å; N202-T208 WeakPolarHBondContact O-CG2 3.36Å
203A98Very high95.6Very high0 Ų013 Ų130%07%0.065CC..SBendtrans-99.1-2.7-176.100000114.1V201 T208 P231 V232 Y233 Q253 L256V201-A203 PolarHBondContact O-N 2.93Å; A203-T208 VanDerWaalsContact C-CG2 3.48Å; A203-T208 WeakPolarHBondContact O-CG2 3.43Å; A203-P231 HydrophobicContact CB-CB 3.75Å; A203-V232 PolarHBondContact N-O 2.93Å; A203-Y233 HydrophobicContact CB-CD1 3.72Å; A203-Y233 HydrophobicContact CB-CD2 3.89Å; A203-Y233 HydrophobicContact CB-CE1 3.4Å; A203-Y233 HydrophobicContact CB-CE2 3.58Å; A203-Y233 HydrophobicContact CB-CG 3.94Å; A203-Q253 WeakPolarHBondContact O-CA 3.46Å; A203-Q253 WeakPolarHBondContact O-CG 3.28Å; A203-L256 HydrophobicContact CB-CD2 4.4Å
204E95.7Very high96Very high21 Ų218.3 Ų8.310%0.0984%0.044CC..SBendtrans-121.1-4.3-163.5-64.1-177.2143.200114.9Y233 N234 S235 V238 T249 N252 Q253E204-Y233 HydrophobicContact CG-CD1 3.86Å; E204-N234 VanDerWaalsContact CD-N 3.34Å; E204-N234 PolarHBondContact OE1-N 2.96Å; E204-N234 VanDerWaalsContact OE2-C 3.32Å; E204-N234 WeakPolarHBondContact OE2-CA 3.34Å; E204-N234 PolarHBondContact OE2-N 2.88Å; E204-S235 PolarHBondContact OE1-N 2.63Å; E204-V238 HydrophobicContact CB-CG2 4.25Å; E204-V238 HydrophobicContact CG-CG2 4.21Å; E204-V238 WeakPolarHBondContact OE1-CG2 3.5Å; E204-V238 WeakPolarHBondContact OE2-CG2 3.45Å; E204-T249 HydrophobicContact CB-CG2 3.66Å; E204-T249 HydrophobicContact CG-CG2 3.93Å; E204-T249 PolarHBondContact O-OG1 2.8Å; E204-N252 PolarHBondContact O-ND2 3.31Å; E204-Q253 HydrophobicContact CG-CG 4.46Å
205D94.3Very high96.4Very high45 Ų457 Ų724%0.2414%0.035CC..SBendtrans-135.9-172.7-174.261.426.5000110.8N202 F207 T208 N252N202-D205 WeakPolarHBondContact CB-OD1 3.39Å; N202-D205 PolarHBondContact ND2-OD2 3.47Å; D205-F207 PolarHBondContact O-N 3.13Å; D205-F207 VanDerWaalsContact O-N 3.13Å; D205-F207 WeakPolarHBondContact OD1-CB 3.34Å; D205-F207 WeakPolarHBondContact OD1-CD2 3.28Å; D205-F207 PolarHBondContact OD1-N 3.24Å; D205-T208 WeakPolarHBondContact O-CB 3.4Å; D205-T208 VanDerWaalsContact O-CG2 3.28Å; D205-T208 WeakPolarHBondContact O-CG2 3.47Å; D205-T208 PolarHBondContact O-N 2.79Å; D205-T208 VanDerWaalsContact O-N 3.11Å; D205-T208 PolarHBondContact O-OG1 2.92Å; D205-N252 WeakPolarHBondContact CA-ND2 3.41Å
206G94.2Very high96.8Very high0 Ų08.8 Ų8.80%04%0.043CC..THydrogen-bonded Turntrans-67.4-9-176.100000115.4L160 T162 G166 T208 G209L160-G206 PolarHBondContact O-N 3.3Å; T162-G206 VanDerWaalsContact C-CA 3.45Å; T162-G206 WeakPolarHBondContact O-CA 3.41Å; G166-G206 WeakPolarHBondContact CA-O 3.43Å; G206-T208 PolarHBondContact O-N 3Å; G206-G209 PolarHBondContact O-N 3.06Å
207F96.7Very high96.9Very high7 Ų710 Ų103%0.0315%0.049CC..Hα-helixtrans-65.2-16.4170-75-87.4000112.5A13 G14 P15 D66 I67 L135 L160 V201 N202 D205 G209 I210 G211A13-F207 HydrophobicContact CB-CD1 4.15Å; G14-F207 VanDerWaalsContact CA-CE1 3.44Å; G14-F207 VanDerWaalsContact CA-CG 3.47Å; G14-F207 VanDerWaalsContact N-CD1 3.29Å; P15-F207 VanDerWaalsContact CD-CE2 3.42Å; P15-F207 HydrophobicContact CG-CE2 4.43Å; D66-F207 WeakPolarHBondContact OD1-CZ 3.31Å; I67-F207 HydrophobicContact CG2-CZ 4.09Å; L135-F207 HydrophobicContact CD1-CE1 4.37Å; L160-F207 HydrophobicContact CB-CE2 4.46Å; L160-F207 HydrophobicContact CD2-CD1 4.36Å; L160-F207 HydrophobicContact CD2-CD2 4.19Å; L160-F207 HydrophobicContact CD2-CE2 4.35Å; L160-F207 HydrophobicContact CD2-CG 4.2Å; V201-F207 HydrophobicContact CG2-CB 4.28Å; V201-F207 VanDerWaalsContact CG2-O 3.29Å; V201-F207 WeakPolarHBondContact CG2-O 3.37Å; N202-F207 HydrophobicContact CB-CB 4.09Å; D205-F207 PolarHBondContact O-N 3.13Å; D205-F207 VanDerWaalsContact O-N 3.13Å; D205-F207 WeakPolarHBondContact OD1-CB 3.34Å; D205-F207 WeakPolarHBondContact OD1-CD2 3.28Å; D205-F207 PolarHBondContact OD1-N 3.24Å; F207-G209 PolarHBondContact O-N 3.43Å; F207-I210 HydrophobicContact CD1-CB 4.46Å; F207-I210 HydrophobicContact CD1-CD1 3.55Å; F207-I210 HydrophobicContact CE1-CD1 3.79Å; F207-I210 HydrophobicContact CG-CD1 4.35Å; F207-I210 WeakPolarHBondContact O-CB 3.25Å; F207-I210 PolarHBondContact O-N 2.57Å; F207-G211 PolarHBondContact O-N 2.83Å
208T98.1Very high96.8Very high0 Ų010.1 Ų10.10%05%0.05CC..Hα-helixtrans-54.5-40.116752.20000112.6N202 A203 D205 G206 G211 S212 N252 L256N202-T208 WeakPolarHBondContact O-CG2 3.36Å; A203-T208 VanDerWaalsContact C-CG2 3.48Å; A203-T208 WeakPolarHBondContact O-CG2 3.43Å; D205-T208 WeakPolarHBondContact O-CB 3.4Å; D205-T208 VanDerWaalsContact O-CG2 3.28Å; D205-T208 WeakPolarHBondContact O-CG2 3.47Å; D205-T208 PolarHBondContact O-N 2.79Å; D205-T208 VanDerWaalsContact O-N 3.11Å; D205-T208 PolarHBondContact O-OG1 2.92Å; G206-T208 PolarHBondContact O-N 3Å; T208-G211 PolarHBondContact O-N 3.28Å; T208-S212 PolarHBondContact O-N 2.87Å; T208-N252 HydrophobicContact CG2-CB 4.04Å; T208-N252 WeakPolarHBondContact CG2-O 3.5Å; T208-L256 HydrophobicContact CG2-CB 3.97Å; T208-L256 HydrophobicContact CG2-CD2 4.06Å
209G96.7Very high96.6Very high0 Ų010.8 Ų10.80%06%0.055CC..Hα-helixtrans-74.1-29.8176.100000114.1F163 G206 F207 S212 Q213F163-G209 VanDerWaalsContact CD2-CA 3.47Å; F163-G209 WeakPolarHBondContact O-CA 3.43Å; G206-G209 PolarHBondContact O-N 3.06Å; F207-G209 PolarHBondContact O-N 3.43Å; G209-S212 VanDerWaalsContact C-OG 3.28Å; G209-S212 VanDerWaalsContact CA-OG 3.3Å; G209-S212 WeakPolarHBondContact CA-OG 3.29Å; G209-S212 PolarHBondContact O-OG 3.14Å; G209-Q213 PolarHBondContact O-N 3.35Å
210I97Very high96.4Very high0 Ų018.5 Ų18.50%09%0.091CC..Hα-helixtrans-66.9-47.5169-71.4175.4000109.3A13 I65 L135 L160 G166 V169 F170 F207 S212 Q213 L214A13-I210 HydrophobicContact CB-CG2 3.89Å; I65-I210 HydrophobicContact CG2-CG2 4.27Å; L135-I210 HydrophobicContact CD1-CD1 3.59Å; L160-I210 HydrophobicContact CD2-CD1 3.35Å; L160-I210 HydrophobicContact CD2-CG1 4.01Å; G166-I210 WeakPolarHBondContact O-CG1 3.37Å; V169-I210 HydrophobicContact CB-CD1 4.5Å; V169-I210 HydrophobicContact CB-CG1 4.31Å; V169-I210 HydrophobicContact CG1-CD1 4.49Å; V169-I210 HydrophobicContact CG2-CD1 4.2Å; V169-I210 HydrophobicContact CG2-CG1 4.28Å; F170-I210 HydrophobicContact CD2-CG2 4.39Å; F170-I210 HydrophobicContact CE2-CG2 3.71Å; F170-I210 HydrophobicContact CZ-CG2 4.49Å; F207-I210 HydrophobicContact CD1-CB 4.46Å; F207-I210 HydrophobicContact CD1-CD1 3.55Å; F207-I210 HydrophobicContact CE1-CD1 3.79Å; F207-I210 HydrophobicContact CG-CD1 4.35Å; F207-I210 WeakPolarHBondContact O-CB 3.25Å; F207-I210 PolarHBondContact O-N 2.57Å; I210-S212 VanDerWaalsContact C-N 3.28Å; I210-S212 PolarHBondContact O-N 2.78Å; I210-Q213 PolarHBondContact O-N 3.12Å; I210-L214 HydrophobicContact CG2-CD1 4.1Å; I210-L214 HydrophobicContact CG2-CG 4.45Å; I210-L214 WeakPolarHBondContact O-CG 3.25Å; I210-L214 PolarHBondContact O-N 3.15Å
211G98.3Very high96.1Very high0 Ų022.1 Ų22.10%011%0.108CC..Hα-helixtrans-57-40.8177.800000112.4F207 T208 L214 L215F207-G211 PolarHBondContact O-N 2.83Å; T208-G211 PolarHBondContact O-N 3.28Å; G211-L214 PolarHBondContact O-N 2.93Å; G211-L215 VanDerWaalsContact O-CG 3.31Å; G211-L215 WeakPolarHBondContact O-CG 3.45Å; G211-L215 PolarHBondContact O-N 3.11Å; G211-L215 VanDerWaalsContact O-N 3.1Å
212S97.5Very high95.8Very high0 Ų023.7 Ų23.70%012%0.115CC..Hα-helixtrans-62.7-46.5174.954.70000113F163 T208 G209 I210 L214 L215 E216F163-S212 WeakPolarHBondContact CE2-OG 3.37Å; F163-S212 VanDerWaalsContact CZ-OG 3.31Å; F163-S212 WeakPolarHBondContact CZ-OG 3.04Å; T208-S212 PolarHBondContact O-N 2.87Å; G209-S212 VanDerWaalsContact C-OG 3.28Å; G209-S212 VanDerWaalsContact CA-OG 3.3Å; G209-S212 WeakPolarHBondContact CA-OG 3.29Å; G209-S212 PolarHBondContact O-OG 3.14Å; I210-S212 VanDerWaalsContact C-N 3.28Å; I210-S212 PolarHBondContact O-N 2.78Å; S212-L214 VanDerWaalsContact C-N 3.3Å; S212-L214 PolarHBondContact O-N 2.93Å; S212-L215 WeakPolarHBondContact O-CB 3.33Å; S212-L215 PolarHBondContact O-N 3.31Å; S212-L215 VanDerWaalsContact O-N 3.14Å; S212-E216 PolarHBondContact O-N 3Å
213Q96.2Very high95.4Very high33 Ų3327.9 Ų27.915%0.15414%0.142CC..Hα-helixtrans-65.2-37.6-179.4-168.566.555.100111.5F170 G209 I210 L215 E216 N217F170-Q213 HydrophobicContact CB-CB 4.26Å; F170-Q213 HydrophobicContact CB-CG 3.63Å; F170-Q213 HydrophobicContact CD2-CB 4.02Å; F170-Q213 HydrophobicContact CD2-CG 4.11Å; F170-Q213 HydrophobicContact CG-CG 4.35Å; G209-Q213 PolarHBondContact O-N 3.35Å; I210-Q213 PolarHBondContact O-N 3.12Å; Q213-L215 VanDerWaalsContact C-N 3.31Å; Q213-L215 PolarHBondContact O-N 3.11Å; Q213-E216 PolarHBondContact O-N 2.81Å; Q213-N217 PolarHBondContact NE2-OD1 2.93Å; Q213-N217 WeakPolarHBondContact O-CB 3.48Å; Q213-N217 VanDerWaalsContact O-CG 3.26Å; Q213-N217 PolarHBondContact O-N 3.42Å; Q213-N217 PolarHBondContact O-OD1 2.84Å; Q213-N217 VanDerWaalsContact O-OD1 3.09Å
214L97.6Very high95Very high0 Ų036.1 Ų36.10%018%0.178CC..Hα-helixtrans-60.8-41.7174-66.2172.9000111.6L11 A13 I65 F170 I184 L199 I210 G211 S212 I218L11-L214 HydrophobicContact CB-CD1 4.45Å; L11-L214 HydrophobicContact CD1-CB 4.23Å; L11-L214 HydrophobicContact CD1-CD1 4.38Å; L11-L214 HydrophobicContact CD1-CD2 4.25Å; A13-L214 HydrophobicContact CB-CD1 4.37Å; I65-L214 HydrophobicContact CD1-CD1 3.62Å; I65-L214 HydrophobicContact CD1-CD2 3.83Å; I65-L214 HydrophobicContact CD1-CG 4.29Å; F170-L214 HydrophobicContact CE2-CD2 3.84Å; F170-L214 HydrophobicContact CE2-CG 4.15Å; F170-L214 HydrophobicContact CZ-CD2 4.36Å; I184-L214 HydrophobicContact CD1-CD2 4.29Å; L199-L214 HydrophobicContact CD1-CD1 4.15Å; I210-L214 HydrophobicContact CG2-CD1 4.1Å; I210-L214 HydrophobicContact CG2-CG 4.45Å; I210-L214 WeakPolarHBondContact O-CG 3.25Å; I210-L214 PolarHBondContact O-N 3.15Å; G211-L214 PolarHBondContact O-N 2.93Å; S212-L214 VanDerWaalsContact C-N 3.3Å; S212-L214 PolarHBondContact O-N 2.93Å; L214-I218 WeakPolarHBondContact O-CB 3.4Å; L214-I218 VanDerWaalsContact O-CD1 3.28Å; L214-I218 WeakPolarHBondContact O-CD1 3.25Å; L214-I218 WeakPolarHBondContact O-CG1 3.47Å; L214-I218 PolarHBondContact O-N 2.85Å
215L97.4Very high94.8Very high0 Ų035.4 Ų35.40%018%0.176CC..Hα-helixtrans-65.9-42.1177.9-71.1168.3000112L199 G211 S212 Q213 S219 I227 I259 L260 L266L199-L215 HydrophobicContact CD2-CD1 3.84Å; L199-L215 HydrophobicContact CD2-CD2 3.79Å; L199-L215 HydrophobicContact CD2-CG 3.67Å; G211-L215 VanDerWaalsContact O-CG 3.31Å; G211-L215 WeakPolarHBondContact O-CG 3.45Å; G211-L215 PolarHBondContact O-N 3.11Å; G211-L215 VanDerWaalsContact O-N 3.1Å; S212-L215 WeakPolarHBondContact O-CB 3.33Å; S212-L215 PolarHBondContact O-N 3.31Å; S212-L215 VanDerWaalsContact O-N 3.14Å; Q213-L215 VanDerWaalsContact C-N 3.31Å; Q213-L215 PolarHBondContact O-N 3.11Å; L215-S219 VanDerWaalsContact O-CB 3.3Å; L215-S219 WeakPolarHBondContact O-CB 3.48Å; L215-S219 PolarHBondContact O-N 3.37Å; L215-S219 PolarHBondContact O-OG 3.35Å; L215-I227 HydrophobicContact CD2-CD1 4.41Å; L215-I227 HydrophobicContact CD2-CG2 3.76Å; L215-I259 HydrophobicContact CB-CG2 4.39Å; L215-I259 HydrophobicContact CD1-CG2 4Å; L215-L260 HydrophobicContact CD1-CD2 3.68Å; L215-L260 HydrophobicContact CD1-CG 4.47Å; L215-L266 HydrophobicContact CB-CD1 4.47Å; L215-L266 HydrophobicContact CB-CD2 4.31Å; L215-L266 HydrophobicContact CD1-CD1 4.16Å; L215-L266 HydrophobicContact CD2-CD1 4.22Å; L215-L266 HydrophobicContact CD2-CD2 4.47Å
216E95.1Very high94.7Very high64 Ų6434.9 Ų34.930%0.29917%0.172SC..Hα-helixtrans-61.3-51.6175.3-73174.6-166.100110.9S212 Q213 I218 S219 E220 L265S212-E216 PolarHBondContact O-N 3Å; Q213-E216 PolarHBondContact O-N 2.81Å; E216-I218 PolarHBondContact O-N 2.92Å; E216-S219 PolarHBondContact O-N 3.47Å; E216-S219 VanDerWaalsContact O-N 3.09Å; E216-S219 PolarHBondContact O-OG 3.29Å; E216-E220 PolarHBondContact O-N 2.89Å; E216-L265 HydrophobicContact CG-CD2 3.91Å
217N94.2Very high94.7Very high25 Ų2535.2 Ų35.213%0.13417%0.173CC..Hα-helixtrans-59.5-44.7178.8-68.417.5000111.7D181 Q213 S219 E220 E221D181-N217 PolarHBondContact OD1-ND2 3.3Å; Q213-N217 PolarHBondContact NE2-OD1 2.93Å; Q213-N217 WeakPolarHBondContact O-CB 3.48Å; Q213-N217 VanDerWaalsContact O-CG 3.26Å; Q213-N217 PolarHBondContact O-N 3.42Å; Q213-N217 PolarHBondContact O-OD1 2.84Å; Q213-N217 VanDerWaalsContact O-OD1 3.09Å; N217-S219 VanDerWaalsContact C-N 3.33Å; N217-S219 PolarHBondContact O-N 2.93Å; N217-E220 PolarHBondContact O-N 3.44Å; N217-E221 PolarHBondContact O-N 2.95Å
218I95Very high94.6Very high4 Ų434.9 Ų34.92%0.02117%0.172CC..Hα-helixtrans-62.3-41.8176.1-70161.4000110.9L11 F197 L214 E216 E220 F222 A225 I227L11-I218 HydrophobicContact CD1-CD1 3.32Å; L11-I218 HydrophobicContact CD1-CG1 4.13Å; L11-I218 HydrophobicContact CG-CD1 4.41Å; F197-I218 HydrophobicContact CB-CD1 4.35Å; F197-I218 HydrophobicContact CD1-CD1 3.66Å; F197-I218 HydrophobicContact CD1-CG1 3.94Å; F197-I218 HydrophobicContact CD1-CG2 4.14Å; F197-I218 HydrophobicContact CD2-CG2 3.71Å; F197-I218 HydrophobicContact CE1-CD1 4.18Å; F197-I218 HydrophobicContact CE1-CG1 3.95Å; F197-I218 HydrophobicContact CE1-CG2 4.26Å; F197-I218 HydrophobicContact CE2-CG2 3.85Å; F197-I218 HydrophobicContact CG-CD1 4.09Å; F197-I218 HydrophobicContact CG-CG1 4.44Å; F197-I218 HydrophobicContact CG-CG2 3.86Å; F197-I218 HydrophobicContact CZ-CG1 4.48Å; F197-I218 HydrophobicContact CZ-CG2 4.12Å; L214-I218 WeakPolarHBondContact O-CB 3.4Å; L214-I218 VanDerWaalsContact O-CD1 3.28Å; L214-I218 WeakPolarHBondContact O-CD1 3.25Å; L214-I218 WeakPolarHBondContact O-CG1 3.47Å; L214-I218 PolarHBondContact O-N 2.85Å; E216-I218 PolarHBondContact O-N 2.92Å; I218-E220 VanDerWaalsContact C-N 3.3Å; I218-E220 PolarHBondContact O-N 3.15Å; I218-F222 HydrophobicContact CG2-CB 4.5Å; I218-F222 HydrophobicContact CG2-CD2 4.46Å; I218-F222 CarbonylContact O-C 3.59Å; I218-F222 VanDerWaalsContact O-CA 3.3Å; I218-F222 WeakPolarHBondContact O-CA 3.3Å; I218-F222 WeakPolarHBondContact O-CB 3.42Å; I218-F222 PolarHBondContact O-N 3.47Å; I218-A225 HydrophobicContact CG2-CB 4.35Å; I218-I227 HydrophobicContact CG2-CD1 4.05Å; I218-I227 HydrophobicContact CG2-CG1 4.49Å
219S93.3Very high94.6Very high17 Ų1734.9 Ų34.912%0.11917%0.172CC..Hα-helixtrans-67.2-32-178.671.50000112.6L215 E216 N217 P223 L265L215-S219 VanDerWaalsContact O-CB 3.3Å; L215-S219 WeakPolarHBondContact O-CB 3.48Å; L215-S219 PolarHBondContact O-N 3.37Å; L215-S219 PolarHBondContact O-OG 3.35Å; E216-S219 PolarHBondContact O-N 3.47Å; E216-S219 VanDerWaalsContact O-N 3.09Å; E216-S219 PolarHBondContact O-OG 3.29Å; N217-S219 VanDerWaalsContact C-N 3.33Å; N217-S219 PolarHBondContact O-N 2.93Å; S219-P223 VanDerWaalsContact O-CA 3.24Å; S219-P223 WeakPolarHBondContact O-CA 3.13Å; S219-L265 WeakPolarHBondContact OG-CD1 3.41Å
220E93.2Very high94.7Very high166 Ų16634.9 Ų34.978%0.77617%0.172SC*.Hα-helixtrans-73.7-47.1175.7-173.7175.5177.300111.6E216 N217 I218E216-E220 PolarHBondContact O-N 2.89Å; N217-E220 PolarHBondContact O-N 3.44Å; I218-E220 VanDerWaalsContact C-N 3.3Å; I218-E220 PolarHBondContact O-N 3.15Å
221E92.7Very high94.8Very high75 Ų7534.9 Ų34.935%0.3517%0.172SC..Hα-helixtrans-77.6-34.8-177.6-169.2177.3-174.200112.5N217 P223N217-E221 PolarHBondContact O-N 2.95Å; E221-P223 WeakPolarHBondContact O-CD 3.23Å
222F93.5Very high94.8Very high35 Ų3534.9 Ų34.915%0.15417%0.172CC..  trans-127.567.9-177.1-52.2-89.3000111.4I184 F197 I218 K224 A225I184-F222 HydrophobicContact CG2-CE2 4.45Å; F197-F222 HydrophobicContact CE1-CD2 4.47Å; F197-F222 HydrophobicContact CE1-CE2 4.47Å; F197-F222 HydrophobicContact CE2-CB 3.99Å; F197-F222 HydrophobicContact CE2-CD1 4.25Å; F197-F222 AromaticContact CE2-CD2 3.8Å; F197-F222 HydrophobicContact CE2-CD2 3.8Å; F197-F222 HydrophobicContact CE2-CE2 4.36Å; F197-F222 AromaticContact CE2-CG 3.75Å; F197-F222 HydrophobicContact CE2-CG 3.75Å; F197-F222 HydrophobicContact CZ-CD1 4.31Å; F197-F222 AromaticContact CZ-CD2 3.44Å; F197-F222 HydrophobicContact CZ-CD2 3.44Å; F197-F222 VanDerWaalsContact CZ-CD2 3.44Å; F197-F222 HydrophobicContact CZ-CE1 4.44Å; F197-F222 AromaticContact CZ-CE2 3.61Å; F197-F222 HydrophobicContact CZ-CE2 3.61Å; F197-F222 AromaticContact CZ-CG 3.84Å; F197-F222 HydrophobicContact CZ-CG 3.84Å; F197-F222 HydrophobicContact CZ-CZ 4.12Å; I218-F222 HydrophobicContact CG2-CB 4.5Å; I218-F222 HydrophobicContact CG2-CD2 4.46Å; I218-F222 CarbonylContact O-C 3.59Å; I218-F222 VanDerWaalsContact O-CA 3.3Å; I218-F222 WeakPolarHBondContact O-CA 3.3Å; I218-F222 WeakPolarHBondContact O-CB 3.42Å; I218-F222 PolarHBondContact O-N 3.47Å; F222-K224 PolarHBondContact O-N 2.82Å; F222-A225 HydrophobicContact CB-CB 3.7Å; F222-A225 WeakPolarHBondContact O-CB 3.38Å; F222-A225 PolarHBondContact O-N 3.35Å
223P89.6Confident94.8Very high94 Ų9434.9 Ų34.961%0.6117%0.172SC*.THydrogen-bonded Turntrans-64.2-14.9-173.524.5-35.7000114.8S219 E221S219-P223 VanDerWaalsContact O-CA 3.24Å; S219-P223 WeakPolarHBondContact O-CA 3.13Å; E221-P223 WeakPolarHBondContact O-CD 3.23Å
224K88.6Confident94.8Very high172 Ų17234.9 Ų34.975%0.74817%0.173SC*.THydrogen-bonded Turntrans-104.610.4175.4-61.5-176.4-178.5178.60112.9F222F222-K224 PolarHBondContact O-N 2.82Å
225A90.9Very high94.6Very high7 Ų735.8 Ų35.86%0.05818%0.179CC..  trans-67.5142.8179.400000111.8N195 F197 I218 F222 I227N195-A225 VanDerWaalsContact O-CA 3.28Å; N195-A225 WeakPolarHBondContact O-CA 3.37Å; F197-A225 HydrophobicContact CD2-CB 3.69Å; F197-A225 HydrophobicContact CE2-CB 3.89Å; I218-A225 HydrophobicContact CG2-CB 4.35Å; F222-A225 HydrophobicContact CB-CB 3.7Å; F222-A225 WeakPolarHBondContact O-CB 3.38Å; F222-A225 PolarHBondContact O-N 3.35Å; A225-I227 HydrophobicContact CB-CG1 4.41Å
226F92.5Very high94.3Very high34 Ų3437.8 Ų37.815%0.14919%0.193CC..EExtended strand (participates in β ladder)trans-92124.7169.8-68.1-89000109.1N195 S196 F197 H268 L314 D315 L318 F323N195-F226 PolarHBondContact O-N 2.96Å; S196-F226 CarbonylContact C-O 3.55Å; S196-F226 WeakPolarHBondContact CA-O 3.35Å; F197-F226 PolarHBondContact N-O 2.66Å; F226-H268 WeakPolarHBondContact CA-O 3.3Å; F226-H268 HydrophobicContact CD1-CB 3.64Å; F226-H268 HydrophobicContact CE1-CB 3.78Å; F226-H268 AromaticContact CE1-CD2 3.76Å; F226-H268 AromaticContact CE1-CG 3.92Å; F226-H268 HydrophobicContact CG-CB 4.28Å; F226-L314 HydrophobicContact CB-CD2 4.39Å; F226-D315 VanDerWaalsContact CD1-CA 3.48Å; F226-D315 HydrophobicContact CD1-CB 3.56Å; F226-D315 HydrophobicContact CD2-CB 3.5Å; F226-D315 HydrophobicContact CE1-CB 3.38Å; F226-D315 HydrophobicContact CE2-CB 3.32Å; F226-D315 HydrophobicContact CG-CB 3.62Å; F226-D315 HydrophobicContact CZ-CB 3.26Å; F226-L318 HydrophobicContact CB-CD1 3.97Å; F226-L318 HydrophobicContact CD1-CD1 4.21Å; F226-F323 HydrophobicContact CD1-CE2 4.32Å; F226-F323 HydrophobicContact CD1-CZ 4.42Å; F226-F323 HydrophobicContact CE1-CE2 4.02Å; F226-F323 HydrophobicContact CE1-CZ 4.44Å
227I94.3Very high94Very high6 Ų637.4 Ų37.43%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-118.8118-170.8-58.5169.1000110F197 L215 I218 A225 L266 H268 A269 C270F197-I227 HydrophobicContact CB-CG1 4.34Å; F197-I227 WeakPolarHBondContact O-CA 3.43Å; L215-I227 HydrophobicContact CD2-CD1 4.41Å; L215-I227 HydrophobicContact CD2-CG2 3.76Å; I218-I227 HydrophobicContact CG2-CD1 4.05Å; I218-I227 HydrophobicContact CG2-CG1 4.49Å; A225-I227 HydrophobicContact CB-CG1 4.41Å; I227-L266 HydrophobicContact CD1-CD2 3.79Å; I227-H268 PolarHBondContact N-O 2.82Å; I227-A269 HydrophobicContact CB-CB 3.96Å; I227-A269 WeakPolarHBondContact O-CA 3.45Å; I227-C270 PolarHBondContact O-N 3.4Å
228F95Very high93.9Very high1 Ų137 Ų370%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-106109.9170.5-179.8-120.4000109.9F197 Q198 L199 V230 C270 L272 V299 T300 L314 L330F197-F228 PolarHBondContact O-N 3.45Å; Q198-F228 CarbonylContact C-O 3.49Å; Q198-F228 VanDerWaalsContact CA-O 3.26Å; Q198-F228 WeakPolarHBondContact CA-O 3.26Å; Q198-F228 HydrophobicContact CG-CD1 4.17Å; L199-F228 PolarHBondContact N-O 3.43Å; F228-V230 HydrophobicContact CD1-CG2 4.08Å; F228-V230 HydrophobicContact CE1-CG2 3.48Å; F228-V230 VanDerWaalsContact CE1-CG2 3.48Å; F228-V230 HydrophobicContact CZ-CG2 3.83Å; F228-C270 VanDerWaalsContact CD2-SG 3.53Å; F228-L272 HydrophobicContact CE2-CB 3.86Å; F228-L272 HydrophobicContact CZ-CB 3.79Å; F228-L272 HydrophobicContact CZ-CD2 3.99Å; F228-V299 HydrophobicContact CZ-CG1 4.12Å; F228-T300 HydrophobicContact CD1-CG2 3.82Å; F228-T300 HydrophobicContact CE1-CG2 3.63Å; F228-L314 HydrophobicContact CB-CD1 4.39Å; F228-L314 HydrophobicContact CB-CD2 4.27Å; F228-L330 HydrophobicContact CE2-CD1 4.18Å
229S98Very high93.7Very high0 Ų040.3 Ų40.30%022%0.217CC..EExtended strand (participates in β ladder)trans-103140.7-178.5-630000112.2L199 L260 C270 W271 L272L199-S229 CarbonylContact O-C 3.51Å; L199-S229 WeakPolarHBondContact O-CA 3.46Å; S229-L260 VanDerWaalsContact CB-CD2 3.48Å; S229-L260 WeakPolarHBondContact OG-CD2 3.19Å; S229-C270 PolarHBondContact N-O 2.66Å; S229-W271 CarbonylContact O-C 3.45Å; S229-W271 WeakPolarHBondContact O-CA 3.5Å; S229-L272 PolarHBondContact O-N 3.27Å
230V98.7Very high93.6Very high0 Ų048.3 Ų48.30%024%0.244CC..EExtended strand (participates in β ladder)trans-12889.1178.7-176.70000108.6L199 V200 V201 F228 V232 L272 I274 I296L199-V230 PolarHBondContact O-N 2.95Å; V200-V230 WeakPolarHBondContact CA-O 3.5Å; V200-V230 HydrophobicContact CG1-CB 4.24Å; V200-V230 HydrophobicContact CG1-CG1 4.37Å; V200-V230 HydrophobicContact CG2-CB 4.2Å; V201-V230 PolarHBondContact N-O 2.84Å; V201-V230 VanDerWaalsContact N-O 3.15Å; F228-V230 HydrophobicContact CD1-CG2 4.08Å; F228-V230 HydrophobicContact CE1-CG2 3.48Å; F228-V230 VanDerWaalsContact CE1-CG2 3.48Å; F228-V230 HydrophobicContact CZ-CG2 3.83Å; V230-V232 HydrophobicContact CG1-CG2 4.36Å; V230-V232 PolarHBondContact O-N 2.96Å; V230-L272 WeakPolarHBondContact CA-O 3.25Å; V230-I274 HydrophobicContact CG1-CD1 3.43Å; V230-I274 VanDerWaalsContact CG1-CD1 3.43Å; V230-I274 HydrophobicContact CG1-CG1 3.64Å; V230-I296 HydrophobicContact CG1-CD1 3.97Å; V230-I296 HydrophobicContact CG1-CG1 4.18Å
231P98.9Very high93.6Very high0 Ų043.3 Ų43.30%022%0.222CC..EExtended strand (participates in β ladder)trans-70.4126171.3-16.131.4000109.9V201 A203 Y233 L256 L260 W271 P273 I274V201-P231 CarbonylContact O-C 3.46Å; V201-P231 WeakPolarHBondContact O-CA 3.31Å; A203-P231 HydrophobicContact CB-CB 3.75Å; P231-Y233 HydrophobicContact CB-CE2 3.75Å; P231-Y233 WeakPolarHBondContact O-CD2 3.28Å; P231-Y233 WeakPolarHBondContact O-CE2 3.36Å; P231-L256 HydrophobicContact CB-CD2 3.98Å; P231-L256 HydrophobicContact CG-CD2 4.27Å; P231-L260 HydrophobicContact CG-CD1 3.61Å; P231-W271 HydrophobicContact CG-CE3 4.45Å; P231-P273 WeakPolarHBondContact O-CA 3.3Å; P231-I274 PolarHBondContact O-N 2.83Å
232V98.7Very high93.6Very high0 Ų043.9 Ų43.90%023%0.227CC..EExtended strand (participates in β ladder)trans-106.2126.3-175.5-168.10000110.4L16 A17 V20 V200 V201 A203 V230 I274 L292L16-V232 HydrophobicContact CD2-CB 4.33Å; L16-V232 HydrophobicContact CD2-CG1 3.76Å; L16-V232 HydrophobicContact CG-CB 4.39Å; L16-V232 HydrophobicContact CG-CG1 3.7Å; A17-V232 HydrophobicContact CB-CG2 4.33Å; V20-V232 HydrophobicContact CG2-CG1 4.09Å; V200-V232 HydrophobicContact CG1-CG2 3.6Å; V201-V232 PolarHBondContact O-N 3.15Å; A203-V232 PolarHBondContact N-O 2.93Å; V230-V232 HydrophobicContact CG1-CG2 4.36Å; V230-V232 PolarHBondContact O-N 2.96Å; V232-I274 WeakPolarHBondContact CA-O 3.43Å; V232-I274 HydrophobicContact CB-CG1 4.49Å; V232-I274 HydrophobicContact CG1-CG1 4.33Å; V232-I274 HydrophobicContact CG2-CD1 4.22Å; V232-I274 HydrophobicContact CG2-CG1 4.13Å; V232-L292 HydrophobicContact CG1-CD1 4.43Å
233Y98Very high93.6Very high0 Ų045.6 Ų45.60%025%0.248CC..EExtended strand (participates in β ladder)trans-113.9155.2-176.3-58.3-104.7000111.4A203 E204 P231 Q253 P273 I274 A276 P353 Y354A203-Y233 HydrophobicContact CB-CD1 3.72Å; A203-Y233 HydrophobicContact CB-CD2 3.89Å; A203-Y233 HydrophobicContact CB-CE1 3.4Å; A203-Y233 HydrophobicContact CB-CE2 3.58Å; A203-Y233 HydrophobicContact CB-CG 3.94Å; E204-Y233 HydrophobicContact CG-CD1 3.86Å; P231-Y233 HydrophobicContact CB-CE2 3.75Å; P231-Y233 WeakPolarHBondContact O-CD2 3.28Å; P231-Y233 WeakPolarHBondContact O-CE2 3.36Å; Y233-Q253 HydrophobicContact CD1-CG 4.47Å; Y233-Q253 HydrophobicContact CE1-CG 3.84Å; Y233-P273 HydrophobicContact CD2-CB 4.34Å; Y233-P273 HydrophobicContact CE2-CB 3.57Å; Y233-I274 PolarHBondContact N-O 2.97Å; Y233-A276 PolarHBondContact O-N 3.18Å; Y233-P353 HydrophobicContact CD1-CB 4.34Å; Y233-P353 HydrophobicContact CD1-CG 4.05Å; Y233-P353 HydrophobicContact CD2-CG 3.74Å; Y233-P353 HydrophobicContact CE1-CG 4.1Å; Y233-P353 HydrophobicContact CE2-CG 3.81Å; Y233-P353 HydrophobicContact CG-CB 4.25Å; Y233-P353 HydrophobicContact CG-CG 3.89Å; Y233-Y354 WeakPolarHBondContact CE1-OH 3.49Å; Y233-Y354 PolarHBondContact OH-OH 3.01Å
234N95Very high93.7Very high32 Ų3248.9 Ų48.917%0.17125%0.248CC..  trans-139.266.3164.7-167.4-12.8000109.4L16 E204 S236 V237 V238 S277L16-N234 HydrophobicContact CD2-CB 3.89Å; E204-N234 VanDerWaalsContact CD-N 3.34Å; E204-N234 PolarHBondContact OE1-N 2.96Å; E204-N234 VanDerWaalsContact OE2-C 3.32Å; E204-N234 WeakPolarHBondContact OE2-CA 3.34Å; E204-N234 PolarHBondContact OE2-N 2.88Å; N234-S236 PolarHBondContact O-N 3.32Å; N234-S236 PolarHBondContact OD1-OG 3.18Å; N234-V237 HydrophobicContact CB-CG2 4.32Å; N234-V237 VanDerWaalsContact CG-CG2 3.47Å; N234-V237 VanDerWaalsContact ND2-CG2 3.33Å; N234-V237 WeakPolarHBondContact ND2-CG2 3.17Å; N234-V237 WeakPolarHBondContact O-CB 3.37Å; N234-V237 PolarHBondContact O-N 3.08Å; N234-V238 PolarHBondContact O-N 2.88Å; N234-S277 VanDerWaalsContact C-OG 3.31Å; N234-S277 PolarHBondContact OD1-OG 3.4Å
235S93.4Very high93.8Very high19 Ų1944.3 Ų44.313%0.13323%0.231CC..Hα-helixtrans-48.4-29.5179.8-52.70000114.3E204 V237 V238 S239 D275 S277E204-S235 PolarHBondContact OE1-N 2.63Å; S235-V237 VanDerWaalsContact C-N 3.33Å; S235-V238 PolarHBondContact O-N 3.18Å; S235-S239 WeakPolarHBondContact O-CB 3.33Å; S235-S239 PolarHBondContact O-N 2.97Å; S235-S239 PolarHBondContact O-OG 3.34Å; S235-D275 VanDerWaalsContact CB-OD2 3.25Å; S235-D275 WeakPolarHBondContact CB-OD2 3.34Å; S235-D275 PolarHBondContact N-OD1 3.47Å; S235-D275 VanDerWaalsContact OG-CG 3.29Å; S235-D275 PolarHBondContact OG-OD2 2.88Å; S235-S277 PolarHBondContact N-OG 2.73Å
236S91.5Very high93.9Very high42 Ų4247.5 Ų47.529%0.29424%0.244SC..Hα-helixtrans-70.2-26.5177.472.70000113.7N234 S239 R240 S277N234-S236 PolarHBondContact O-N 3.32Å; N234-S236 PolarHBondContact OD1-OG 3.18Å; S236-S239 PolarHBondContact O-OG 3.23Å; S236-S239 VanDerWaalsContact O-OG 3.07Å; S236-R240 PolarHBondContact O-NE 3.36Å; S236-S277 WeakPolarHBondContact CB-OG 3.4Å; S236-S277 PolarHBondContact N-OG 3.33Å; S236-S277 PolarHBondContact OG-OG 3.37Å
237V89.9Confident94Very high56 Ų5650.3 Ų50.334%0.33926%0.256SS..Hα-helixtrans-76.1-47.7170.2177.30000109N234 S235 S239 R240 M241N234-V237 HydrophobicContact CB-CG2 4.32Å; N234-V237 VanDerWaalsContact CG-CG2 3.47Å; N234-V237 VanDerWaalsContact ND2-CG2 3.33Å; N234-V237 WeakPolarHBondContact ND2-CG2 3.17Å; N234-V237 WeakPolarHBondContact O-CB 3.37Å; N234-V237 PolarHBondContact O-N 3.08Å; S235-V237 VanDerWaalsContact C-N 3.33Å; V237-S239 VanDerWaalsContact C-N 3.3Å; V237-S239 PolarHBondContact O-N 2.76Å; V237-R240 PolarHBondContact O-N 3.19Å; V237-R240 VanDerWaalsContact O-N 3.12Å; V237-M241 HydrophobicContact CG1-CE 3.88Å
238V91.1Very high94Very high17 Ų1751.1 Ų51.110%0.10326%0.26CS..Hα-helixtrans-59.2-39.8178.6-179.90000112E204 N234 S235 R240 M241 K246 T249E204-V238 HydrophobicContact CB-CG2 4.25Å; E204-V238 HydrophobicContact CG-CG2 4.21Å; E204-V238 WeakPolarHBondContact OE1-CG2 3.5Å; E204-V238 WeakPolarHBondContact OE2-CG2 3.45Å; N234-V238 PolarHBondContact O-N 2.88Å; S235-V238 PolarHBondContact O-N 3.18Å; V238-R240 PolarHBondContact O-N 2.89Å; V238-R240 VanDerWaalsContact O-N 3.09Å; V238-M241 HydrophobicContact CG2-CE 4.31Å; V238-M241 WeakPolarHBondContact O-CB 3.32Å; V238-M241 PolarHBondContact O-N 2.85Å; V238-K246 HydrophobicContact CG1-CG 4.18Å; V238-K246 WeakPolarHBondContact O-CE 3.44Å; V238-K246 WeakPolarHBondContact O-CG 3.38Å; V238-T249 HydrophobicContact CG1-CG2 3.83Å; V238-T249 HydrophobicContact CG2-CG2 3.88Å
239S90.7Very high94Very high73 Ų7351.4 Ų51.451%0.5126%0.262SS..THydrogen-bonded Turntrans-61.7-21.418071.40000113.7S235 S236 V237 K246S235-S239 WeakPolarHBondContact O-CB 3.33Å; S235-S239 PolarHBondContact O-N 2.97Å; S235-S239 PolarHBondContact O-OG 3.34Å; S236-S239 PolarHBondContact O-OG 3.23Å; S236-S239 VanDerWaalsContact O-OG 3.07Å; V237-S239 VanDerWaalsContact C-N 3.3Å; V237-S239 PolarHBondContact O-N 2.76Å; S239-K246 VanDerWaalsContact C-CE 3.46Å; S239-K246 WeakPolarHBondContact O-CE 3.14Å; S239-K246 PolarHBondContact O-NZ 3.23Å
240R92.2Very high93.9Very high185 Ų18552.6 Ų52.670%0.69827%0.27SS*.THydrogen-bonded Turntrans-93-9.4177.7-64.7179.8-69.2-165.60.7113.8S236 V237 V238S236-R240 PolarHBondContact O-NE 3.36Å; V237-R240 PolarHBondContact O-N 3.19Å; V237-R240 VanDerWaalsContact O-N 3.12Å; V238-R240 PolarHBondContact O-N 2.89Å; V238-R240 VanDerWaalsContact O-N 3.09Å
241M91.5Very high93.8Very high62 Ų6252.6 Ų52.631%0.30527%0.27SS..SBendtrans-73162.8176.1-58.5-178.2-175.400111.5V237 V238 L245 K246V237-M241 HydrophobicContact CG1-CE 3.88Å; V238-M241 HydrophobicContact CG2-CE 4.31Å; V238-M241 WeakPolarHBondContact O-CB 3.32Å; V238-M241 PolarHBondContact O-N 2.85Å; M241-L245 HydrophobicContact CB-CB 3.96Å; M241-L245 HydrophobicContact CB-CD1 4.43Å; M241-L245 HydrophobicContact SD-CB 4.07Å; M241-K246 HydrophobicContact CB-CG 4.31Å; M241-K246 WeakPolarHBondContact O-CE 3.42Å; M241-K246 PolarHBondContact O-NZ 2.78Å
242D94.3Very high93.8Very high86 Ų8652.7 Ų52.746%0.4627%0.27SS..  trans-66.8168.2171.568.976.9000112R244 L245 K246D242-R244 VanDerWaalsContact C-N 3.3Å; D242-R244 PolarHBondContact O-N 2.94Å; D242-R244 WeakPolarHBondContact OD1-CA 3.27Å; D242-R244 VanDerWaalsContact OD1-CB 3.28Å; D242-R244 WeakPolarHBondContact OD1-CB 3.42Å; D242-R244 PolarHBondContact OD1-N 3.26Å; D242-L245 PolarHBondContact O-N 3.09Å; D242-L245 PolarHBondContact OD1-N 3.17Å; D242-L245 WeakPolarHBondContact OD2-CD1 3.47Å; D242-L245 VanDerWaalsContact OD2-CG 3.29Å; D242-L245 WeakPolarHBondContact OD2-CG 3.36Å; D242-K246 WeakPolarHBondContact O-CG 3.49Å; D242-K246 PolarHBondContact O-N 2.99Å
243A92.7Very high93.8Very high72 Ų7253.4 Ų53.460%0.59527%0.273SS*.Hα-helixtrans-64.8-30.8-174.800000113.7K247A243-K247 WeakPolarHBondContact O-CG 3.22Å; A243-K247 PolarHBondContact O-N 3.46Å
244R91.4Very high93.8Very high163 Ų16353.4 Ų53.462%0.61527%0.273SS*.Hα-helixtrans-70.9-49.5178.7177.5-174.3173.7131.17.6109.7D242 K246 K247 L248D242-R244 VanDerWaalsContact C-N 3.3Å; D242-R244 PolarHBondContact O-N 2.94Å; D242-R244 WeakPolarHBondContact OD1-CA 3.27Å; D242-R244 VanDerWaalsContact OD1-CB 3.28Å; D242-R244 WeakPolarHBondContact OD1-CB 3.42Å; D242-R244 PolarHBondContact OD1-N 3.26Å; R244-K246 VanDerWaalsContact C-N 3.33Å; R244-K246 PolarHBondContact O-N 3.44Å; R244-K247 WeakPolarHBondContact O-CB 3.48Å; R244-K247 PolarHBondContact O-N 3.03Å; R244-K247 VanDerWaalsContact O-N 3.16Å; R244-L248 PolarHBondContact O-N 3.5Å
245L91.4Very high93.9Very high75 Ų7552.1 Ų52.139%0.39327%0.267SS..Hα-helixtrans-62.1-40.1178.4-70-177.8000112.1M241 D242 K247 L248 T249M241-L245 HydrophobicContact CB-CB 3.96Å; M241-L245 HydrophobicContact CB-CD1 4.43Å; M241-L245 HydrophobicContact SD-CB 4.07Å; D242-L245 PolarHBondContact O-N 3.09Å; D242-L245 PolarHBondContact OD1-N 3.17Å; D242-L245 WeakPolarHBondContact OD2-CD1 3.47Å; D242-L245 VanDerWaalsContact OD2-CG 3.29Å; D242-L245 WeakPolarHBondContact OD2-CG 3.36Å; L245-K247 VanDerWaalsContact C-N 3.3Å; L245-K247 PolarHBondContact O-N 2.84Å; L245-L248 PolarHBondContact O-N 2.85Å; L245-T249 PolarHBondContact O-N 3.01Å; L245-T249 PolarHBondContact O-OG1 3.25Å
246K93.4Very high94.1Very high75 Ų7551.2 Ų51.233%0.32626%0.261SS..Hα-helixtrans-56.2-43.6173-77.8168.5172.7154.30112.7V238 S239 M241 D242 R244 T249 V250V238-K246 HydrophobicContact CG1-CG 4.18Å; V238-K246 WeakPolarHBondContact O-CE 3.44Å; V238-K246 WeakPolarHBondContact O-CG 3.38Å; S239-K246 VanDerWaalsContact C-CE 3.46Å; S239-K246 WeakPolarHBondContact O-CE 3.14Å; S239-K246 PolarHBondContact O-NZ 3.23Å; M241-K246 HydrophobicContact CB-CG 4.31Å; M241-K246 WeakPolarHBondContact O-CE 3.42Å; M241-K246 PolarHBondContact O-NZ 2.78Å; D242-K246 WeakPolarHBondContact O-CG 3.49Å; D242-K246 PolarHBondContact O-N 2.99Å; R244-K246 VanDerWaalsContact C-N 3.33Å; R244-K246 PolarHBondContact O-N 3.44Å; K246-T249 PolarHBondContact O-N 2.97Å; K246-V250 WeakPolarHBondContact O-CG2 3.35Å; K246-V250 PolarHBondContact O-N 3.34Å; K246-V250 VanDerWaalsContact O-N 3.13Å
247K93.6Very high94.4Very high93 Ų9349.2 Ų49.240%0.40425%0.247SC..Hα-helixtrans-66.3-42.3177.7-74.7-177.8179.4-164.70111.6A243 R244 L245 T249 V250 V251 H485 L490A243-K247 WeakPolarHBondContact O-CG 3.22Å; A243-K247 PolarHBondContact O-N 3.46Å; R244-K247 WeakPolarHBondContact O-CB 3.48Å; R244-K247 PolarHBondContact O-N 3.03Å; R244-K247 VanDerWaalsContact O-N 3.16Å; L245-K247 VanDerWaalsContact C-N 3.3Å; L245-K247 PolarHBondContact O-N 2.84Å; K247-T249 VanDerWaalsContact C-N 3.34Å; K247-T249 PolarHBondContact O-N 2.92Å; K247-V250 WeakPolarHBondContact O-CB 3.44Å; K247-V250 PolarHBondContact O-N 2.87Å; K247-V250 VanDerWaalsContact O-N 3.15Å; K247-V251 PolarHBondContact O-N 2.83Å; K247-V251 VanDerWaalsContact O-N 3.07Å; K247-H485 PolarHBondContact NZ-CE1 2.59Å; K247-H485 PolarHBondContact NZ-NE2 3.48Å; K247-L490 HydrophobicContact CB-CD1 4.2Å
248L93.9Very high94.7Very high22 Ų2247.3 Ų47.312%0.11523%0.234CC..Hα-helixtrans-62.1-41.9176.3-178.661.6000111.8T162 R244 L245 V250 V251 N252 D491T162-L248 HydrophobicContact CG2-CD1 3.96Å; T162-L248 HydrophobicContact CG2-CD2 3.98Å; T162-L248 HydrophobicContact CG2-CG 4.47Å; R244-L248 PolarHBondContact O-N 3.5Å; L245-L248 PolarHBondContact O-N 2.85Å; L248-V250 VanDerWaalsContact C-N 3.29Å; L248-V250 PolarHBondContact O-N 2.71Å; L248-V251 WeakPolarHBondContact O-CA 3.46Å; L248-V251 WeakPolarHBondContact O-CB 3.21Å; L248-V251 PolarHBondContact O-N 2.73Å; L248-N252 PolarHBondContact O-N 2.98Å; L248-D491 HydrophobicContact CD1-CB 4.48Å
249T95.6Very high95Very high8 Ų847.1 Ų47.15%0.04923%0.233CC..Hα-helixtrans-58.3-40.9172.5-68.10000112E204 V238 L245 K246 K247 V251 N252 Q253E204-T249 HydrophobicContact CB-CG2 3.66Å; E204-T249 HydrophobicContact CG-CG2 3.93Å; E204-T249 PolarHBondContact O-OG1 2.8Å; V238-T249 HydrophobicContact CG1-CG2 3.83Å; V238-T249 HydrophobicContact CG2-CG2 3.88Å; L245-T249 PolarHBondContact O-N 3.01Å; L245-T249 PolarHBondContact O-OG1 3.25Å; K246-T249 PolarHBondContact O-N 2.97Å; K247-T249 VanDerWaalsContact C-N 3.34Å; K247-T249 PolarHBondContact O-N 2.92Å; T249-V251 VanDerWaalsContact C-N 3.3Å; T249-V251 PolarHBondContact O-N 3.5Å; T249-N252 PolarHBondContact O-N 3.48Å; T249-Q253 HydrophobicContact CG2-CG 4.37Å; T249-Q253 VanDerWaalsContact O-CG 3.23Å; T249-Q253 WeakPolarHBondContact O-CG 3.04Å; T249-Q253 PolarHBondContact O-N 3.41Å
250V96.4Very high95.2Very high25 Ų2543.8 Ų43.815%0.15221%0.209CC..Hα-helixtrans-62.6-37.5174.6172.50000111.5K246 K247 L248 L254 L478 L482K246-V250 WeakPolarHBondContact O-CG2 3.35Å; K246-V250 PolarHBondContact O-N 3.34Å; K246-V250 VanDerWaalsContact O-N 3.13Å; K247-V250 WeakPolarHBondContact O-CB 3.44Å; K247-V250 PolarHBondContact O-N 2.87Å; K247-V250 VanDerWaalsContact O-N 3.15Å; L248-V250 VanDerWaalsContact C-N 3.29Å; L248-V250 PolarHBondContact O-N 2.71Å; V250-L254 HydrophobicContact CG1-CD1 3.9Å; V250-L254 HydrophobicContact CG1-CG 4.3Å; V250-L254 WeakPolarHBondContact O-CB 3.45Å; V250-L254 WeakPolarHBondContact O-CG 3.4Å; V250-L254 PolarHBondContact O-N 2.94Å; V250-L478 HydrophobicContact CG1-CB 4.32Å; V250-L478 HydrophobicContact CG1-CD2 4.13Å; V250-L478 HydrophobicContact CG2-CD2 4.12Å; V250-L482 HydrophobicContact CG1-CD1 4.37Å; V250-L482 HydrophobicContact CG1-CD2 4.09Å; V250-L482 HydrophobicContact CG1-CG 4.21Å
251V97.3Very high95.2Very high0 Ų036.1 Ų36.10%018%0.181CC..Hα-helixtrans-61.6-52.4173.2176.80000110.8K247 L248 T249 Q253 L254 C255 L482 L490 W499K247-V251 PolarHBondContact O-N 2.83Å; K247-V251 VanDerWaalsContact O-N 3.07Å; L248-V251 WeakPolarHBondContact O-CA 3.46Å; L248-V251 WeakPolarHBondContact O-CB 3.21Å; L248-V251 PolarHBondContact O-N 2.73Å; T249-V251 VanDerWaalsContact C-N 3.3Å; T249-V251 PolarHBondContact O-N 3.5Å; V251-Q253 VanDerWaalsContact C-N 3.3Å; V251-Q253 PolarHBondContact O-N 3.18Å; V251-L254 PolarHBondContact O-N 3.09Å; V251-L254 VanDerWaalsContact O-N 3.15Å; V251-C255 WeakPolarHBondContact O-CB 2.76Å; V251-C255 PolarHBondContact O-N 2.82Å; V251-C255 PolarHBondContact O-SG 3.29Å; V251-L482 HydrophobicContact CG2-CD1 4.03Å; V251-L482 HydrophobicContact CG2-CD2 4.02Å; V251-L490 HydrophobicContact CG2-CB 3.93Å; V251-L490 HydrophobicContact CG2-CD1 3.79Å; V251-L490 HydrophobicContact CG2-CG 4.49Å; V251-W499 HydrophobicContact CG1-CZ3 3.92Å; V251-W499 HydrophobicContact CG2-CH2 3.89Å; V251-W499 HydrophobicContact CG2-CZ3 4.03Å
252N97.7Very high95.3Very high1 Ų136.9 Ų36.91%0.00518%0.181CC..Hα-helixtrans-53.9-47.4178.4-67.4-20.5000111.9S161 F163 E204 D205 T208 L248 T249 C255 L256S161-N252 PolarHBondContact O-ND2 3.15Å; F163-N252 PolarHBondContact N-OD1 2.94Å; E204-N252 PolarHBondContact O-ND2 3.31Å; D205-N252 WeakPolarHBondContact CA-ND2 3.41Å; T208-N252 HydrophobicContact CG2-CB 4.04Å; T208-N252 WeakPolarHBondContact CG2-O 3.5Å; L248-N252 PolarHBondContact O-N 2.98Å; T249-N252 PolarHBondContact O-N 3.48Å; N252-C255 PolarHBondContact O-N 3.34Å; N252-L256 PolarHBondContact O-N 3.26Å; N252-L256 VanDerWaalsContact O-N 3.13Å
253Q97.9Very high94.9Very high16 Ų1634.4 Ų34.48%0.07518%0.176CC..Hα-helixtrans-56.6-54.3176.5-71.917612.600111.2A203 E204 Y233 T249 V251 C255 L256 L257A203-Q253 WeakPolarHBondContact O-CA 3.46Å; A203-Q253 WeakPolarHBondContact O-CG 3.28Å; E204-Q253 HydrophobicContact CG-CG 4.46Å; Y233-Q253 HydrophobicContact CD1-CG 4.47Å; Y233-Q253 HydrophobicContact CE1-CG 3.84Å; T249-Q253 HydrophobicContact CG2-CG 4.37Å; T249-Q253 VanDerWaalsContact O-CG 3.23Å; T249-Q253 WeakPolarHBondContact O-CG 3.04Å; T249-Q253 PolarHBondContact O-N 3.41Å; V251-Q253 VanDerWaalsContact C-N 3.3Å; V251-Q253 PolarHBondContact O-N 3.18Å; Q253-C255 VanDerWaalsContact C-N 3.35Å; Q253-C255 PolarHBondContact O-N 3.47Å; Q253-L256 PolarHBondContact O-N 3.14Å; Q253-L257 WeakPolarHBondContact O-CG 3.22Å; Q253-L257 PolarHBondContact O-N 3.11Å
254L98.1Very high94.6Very high0 Ų037.4 Ų37.40%018%0.182CC..Hα-helixtrans-69.7-31-174.5-67.8-178.5000112.5V250 V251 L257 N258 L478 V479 L482 F502 I506 L510V250-L254 HydrophobicContact CG1-CD1 3.9Å; V250-L254 HydrophobicContact CG1-CG 4.3Å; V250-L254 WeakPolarHBondContact O-CB 3.45Å; V250-L254 WeakPolarHBondContact O-CG 3.4Å; V250-L254 PolarHBondContact O-N 2.94Å; V251-L254 PolarHBondContact O-N 3.09Å; V251-L254 VanDerWaalsContact O-N 3.15Å; L254-L257 HydrophobicContact CD2-CD1 4.42Å; L254-L257 PolarHBondContact O-N 3.28Å; L254-N258 VanDerWaalsContact O-CB 3.24Å; L254-N258 WeakPolarHBondContact O-CB 3.29Å; L254-N258 PolarHBondContact O-N 3.46Å; L254-L478 HydrophobicContact CD1-CB 4.06Å; L254-L478 HydrophobicContact CD2-CB 4.33Å; L254-V479 HydrophobicContact CD1-CG2 4.24Å; L254-V479 HydrophobicContact CD2-CG2 4.39Å; L254-L482 HydrophobicContact CB-CD1 4.49Å; L254-L482 HydrophobicContact CD1-CD1 3.53Å; L254-L482 HydrophobicContact CD1-CG 4.06Å; L254-F502 HydrophobicContact CB-CZ 3.94Å; L254-I506 HydrophobicContact CD1-CD1 4.27Å; L254-L510 HydrophobicContact CD2-CD1 3.74Å
255C98Very high94.5Very high4 Ų432 Ų323%0.02717%0.165CC..Hα-helixtrans-61.6-47.6170.7-68.90000111.7F163 V251 N252 Q253 N258 I259 F502F163-C255 HydrophobicContact CB-CB 4.17Å; F163-C255 HydrophobicContact CD1-CB 3.88Å; F163-C255 HydrophobicContact CD2-CB 3.34Å; F163-C255 HydrophobicContact CE1-CB 4.05Å; F163-C255 HydrophobicContact CE2-CB 3.57Å; F163-C255 HydrophobicContact CG-CB 3.52Å; F163-C255 HydrophobicContact CZ-CB 3.93Å; V251-C255 WeakPolarHBondContact O-CB 2.76Å; V251-C255 PolarHBondContact O-N 2.82Å; V251-C255 PolarHBondContact O-SG 3.29Å; N252-C255 PolarHBondContact O-N 3.34Å; Q253-C255 VanDerWaalsContact C-N 3.35Å; Q253-C255 PolarHBondContact O-N 3.47Å; C255-N258 WeakPolarHBondContact O-CB 3.32Å; C255-N258 PolarHBondContact O-N 2.82Å; C255-I259 PolarHBondContact O-N 3.05Å; C255-F502 HydrophobicContact CB-CE2 4.15Å; C255-F502 HydrophobicContact CB-CZ 4.46Å; C255-F502 WeakPolarHBondContact SG-CE2 3.49Å; C255-F502 WeakPolarHBondContact SG-CZ 3.42Å
256L98.5Very high94.4Very high1 Ų128.6 Ų28.61%0.00515%0.147CC..Hα-helixtrans-62.2-47.9175.6178.161.7000111.6V201 A203 T208 P231 N252 Q253 N258 I259 L260V201-L256 HydrophobicContact CG1-CD1 4.35Å; V201-L256 HydrophobicContact CG1-CD2 3.7Å; A203-L256 HydrophobicContact CB-CD2 4.4Å; T208-L256 HydrophobicContact CG2-CB 3.97Å; T208-L256 HydrophobicContact CG2-CD2 4.06Å; P231-L256 HydrophobicContact CB-CD2 3.98Å; P231-L256 HydrophobicContact CG-CD2 4.27Å; N252-L256 PolarHBondContact O-N 3.26Å; N252-L256 VanDerWaalsContact O-N 3.13Å; Q253-L256 PolarHBondContact O-N 3.14Å; L256-N258 VanDerWaalsContact C-N 3.29Å; L256-N258 PolarHBondContact O-N 3Å; L256-I259 PolarHBondContact O-N 3.1Å; L256-L260 HydrophobicContact CD1-CD1 4.28Å; L256-L260 HydrophobicContact CD1-CG 4.33Å; L256-L260 HydrophobicContact CG-CD1 3.96Å; L256-L260 HydrophobicContact CG-CG 4.43Å; L256-L260 WeakPolarHBondContact O-CG 3.37Å; L256-L260 PolarHBondContact O-N 3.14Å
257L97.4Very high94Very high0 Ų028.2 Ų28.20%015%0.154CC..Hα-helixtrans-62.8-35.8-179.8-67-168.1000112.5Q253 L254 I259 L260 E261 W271 Y354 L475 L510Q253-L257 WeakPolarHBondContact O-CG 3.22Å; Q253-L257 PolarHBondContact O-N 3.11Å; L254-L257 HydrophobicContact CD2-CD1 4.42Å; L254-L257 PolarHBondContact O-N 3.28Å; L257-I259 PolarHBondContact O-N 2.81Å; L257-L260 HydrophobicContact CD2-CD1 4.11Å; L257-L260 PolarHBondContact O-N 2.85Å; L257-E261 WeakPolarHBondContact O-CB 3.41Å; L257-E261 PolarHBondContact O-N 3.42Å; L257-W271 HydrophobicContact CD1-CH2 4.11Å; L257-W271 HydrophobicContact CD2-CD2 4.41Å; L257-W271 HydrophobicContact CD2-CE3 3.95Å; L257-W271 HydrophobicContact CD2-CH2 3.61Å; L257-W271 HydrophobicContact CD2-CZ2 4.1Å; L257-W271 HydrophobicContact CD2-CZ3 3.53Å; L257-W271 HydrophobicContact CG-CH2 4.44Å; L257-Y354 HydrophobicContact CD1-CE2 3.99Å; L257-Y354 WeakPolarHBondContact CD1-OH 3.48Å; L257-L475 HydrophobicContact CD1-CD2 3.57Å; L257-L510 HydrophobicContact CB-CD1 3.99Å; L257-L510 HydrophobicContact CB-CD2 4.16Å
258N96.5Very high93.8Very high15 Ų1527 Ų278%0.0815%0.149CC..Hα-helixtrans-57.4-35.5176.5-170.141.2000112.6L254 C255 L256 Y262 F502 S505 I506 R509L254-N258 VanDerWaalsContact O-CB 3.24Å; L254-N258 WeakPolarHBondContact O-CB 3.29Å; L254-N258 PolarHBondContact O-N 3.46Å; C255-N258 WeakPolarHBondContact O-CB 3.32Å; C255-N258 PolarHBondContact O-N 2.82Å; L256-N258 VanDerWaalsContact C-N 3.29Å; L256-N258 PolarHBondContact O-N 3Å; N258-Y262 PolarHBondContact O-N 3.17Å; N258-F502 HydrophobicContact CB-CE2 4.28Å; N258-S505 VanDerWaalsContact CG-OG 3.28Å; N258-S505 PolarHBondContact ND2-OG 3.49Å; N258-S505 PolarHBondContact OD1-OG 2.95Å; N258-I506 HydrophobicContact CB-CG2 3.73Å; N258-R509 PolarHBondContact ND2-NH1 2.87Å; N258-R509 PolarHBondContact O-NH1 3.46Å; N258-R509 VanDerWaalsContact O-NH1 3.13Å; N258-R509 WeakPolarHBondContact OD1-CD 3.39Å; N258-R509 PolarHBondContact OD1-NH1 3.38Å
259I96Very high93.7Very high14 Ų1426 Ų267%0.07214%0.144CC..Hα-helixtrans-82.3-42.3-179.4-68.2174.1000110.4F163 L215 C255 L256 L257 E261 Y262 L265 L266F163-I259 HydrophobicContact CE2-CD1 4.42Å; F163-I259 HydrophobicContact CZ-CD1 3.95Å; L215-I259 HydrophobicContact CB-CG2 4.39Å; L215-I259 HydrophobicContact CD1-CG2 4Å; C255-I259 PolarHBondContact O-N 3.05Å; L256-I259 PolarHBondContact O-N 3.1Å; L257-I259 PolarHBondContact O-N 2.81Å; I259-E261 PolarHBondContact O-N 2.9Å; I259-Y262 VanDerWaalsContact O-CB 3.3Å; I259-Y262 WeakPolarHBondContact O-CB 3.47Å; I259-Y262 PolarHBondContact O-N 3.27Å; I259-L265 HydrophobicContact CG2-CD2 4.14Å; I259-L266 HydrophobicContact CG2-CD1 4.41Å; I259-L266 WeakPolarHBondContact O-CD1 3.35Å
260L95.5Very high93.6Very high3 Ų325.7 Ų25.72%0.01614%0.142CC..Hα-helixtrans-58.1-36.7174.8-68.2174.3000112.2L215 S229 P231 L256 L257 Y262 W271 K328L215-L260 HydrophobicContact CD1-CD2 3.68Å; L215-L260 HydrophobicContact CD1-CG 4.47Å; S229-L260 VanDerWaalsContact CB-CD2 3.48Å; S229-L260 WeakPolarHBondContact OG-CD2 3.19Å; P231-L260 HydrophobicContact CG-CD1 3.61Å; L256-L260 HydrophobicContact CD1-CD1 4.28Å; L256-L260 HydrophobicContact CD1-CG 4.33Å; L256-L260 HydrophobicContact CG-CD1 3.96Å; L256-L260 HydrophobicContact CG-CG 4.43Å; L256-L260 WeakPolarHBondContact O-CG 3.37Å; L256-L260 PolarHBondContact O-N 3.14Å; L257-L260 HydrophobicContact CD2-CD1 4.11Å; L257-L260 PolarHBondContact O-N 2.85Å; L260-Y262 VanDerWaalsContact C-N 3.34Å; L260-W271 HydrophobicContact CB-CG 4.06Å; L260-W271 HydrophobicContact CD1-CB 4Å; L260-W271 HydrophobicContact CD1-CD2 4.3Å; L260-W271 HydrophobicContact CD1-CG 4.04Å; L260-W271 HydrophobicContact CD2-CB 4.39Å; L260-K328 VanDerWaalsContact O-CD 3.3Å; L260-K328 WeakPolarHBondContact O-CD 3.23Å; L260-K328 PolarHBondContact O-NZ 2.56Å
261E92.9Very high93.5Very high23 Ų2324.5 Ų24.511%0.10714%0.135CC..THydrogen-bonded Turntrans-82.6-5.3175.2-72.2-64.416200114L257 I259 G263 W271 M329 R509 L510 Y514L257-E261 WeakPolarHBondContact O-CB 3.41Å; L257-E261 PolarHBondContact O-N 3.42Å; I259-E261 PolarHBondContact O-N 2.9Å; E261-G263 PolarHBondContact O-N 3.2Å; E261-W271 HydrophobicContact CG-CZ2 4.32Å; E261-W271 WeakPolarHBondContact OE1-CZ2 3.26Å; E261-W271 PolarHBondContact OE1-NE1 3.12Å; E261-M329 PolarHBondContact OE1-N 3.02Å; E261-R509 HydrophobicContact CB-CB 4.27Å; E261-L510 HydrophobicContact CB-CD2 3.94Å; E261-L510 HydrophobicContact CG-CD2 3.56Å; E261-Y514 PolarHBondContact OE1-OH 3.19Å
262Y92.2Very high93.5Very high79 Ų7924.5 Ų24.531%0.3114%0.135SC..  trans-74.396.2-178.8-166-169.3000111.3N258 I259 L260 D264 L265 L266 K328 R509N258-Y262 PolarHBondContact O-N 3.17Å; I259-Y262 VanDerWaalsContact O-CB 3.3Å; I259-Y262 WeakPolarHBondContact O-CB 3.47Å; I259-Y262 PolarHBondContact O-N 3.27Å; L260-Y262 VanDerWaalsContact C-N 3.34Å; Y262-D264 HydrophobicContact CD2-CB 4.21Å; Y262-D264 HydrophobicContact CE2-CB 3.6Å; Y262-D264 WeakPolarHBondContact CE2-OD2 3.47Å; Y262-D264 PolarHBondContact O-N 2.99Å; Y262-L265 HydrophobicContact CD1-CB 3.54Å; Y262-L265 HydrophobicContact CD1-CD2 4.17Å; Y262-L265 HydrophobicContact CD1-CG 4.47Å; Y262-L265 HydrophobicContact CE1-CB 3.99Å; Y262-L265 HydrophobicContact CG-CB 3.94Å; Y262-L265 PolarHBondContact O-N 3.11Å; Y262-L266 PolarHBondContact O-N 2.83Å; Y262-K328 PolarHBondContact O-NZ 2.85Å; Y262-R509 VanDerWaalsContact CD2-CZ 3.41Å; Y262-R509 VanDerWaalsContact CE2-NH2 3.35Å; Y262-R509 VanDerWaalsContact CG-CZ 3.47Å
263G86.4Confident93.5Very high33 Ų3324.5 Ų24.534%0.3414%0.135SC..THydrogen-bonded Turntrans-61.5-37.9-177.200000115.2E261 L265 L266 S267E261-G263 PolarHBondContact O-N 3.2Å; G263-L265 VanDerWaalsContact C-N 3.31Å; G263-L265 PolarHBondContact O-N 3.19Å; G263-L266 CarbonylContact O-C 3.57Å; G263-S267 VanDerWaalsContact O-CA 3.23Å; G263-S267 WeakPolarHBondContact O-CA 3.41Å; G263-S267 PolarHBondContact O-N 3.2Å; G263-S267 PolarHBondContact O-OG 3.36Å
264D87.5Confident93.5Very high136 Ų13623.7 Ų23.773%0.72713%0.132SC*.THydrogen-bonded Turntrans-69.2-33.6-177.5-55.7-29.8000111.8Y262Y262-D264 HydrophobicContact CD2-CB 4.21Å; Y262-D264 HydrophobicContact CE2-CB 3.6Å; Y262-D264 WeakPolarHBondContact CE2-OD2 3.47Å; Y262-D264 PolarHBondContact O-N 2.99Å
265L89.1Confident93.5Very high49 Ų4923.7 Ų23.726%0.25713%0.132SC..THydrogen-bonded Turntrans-80.6-50.1174.3-173.771.7000111.4E216 S219 I259 Y262 G263E216-L265 HydrophobicContact CG-CD2 3.91Å; S219-L265 WeakPolarHBondContact OG-CD1 3.41Å; I259-L265 HydrophobicContact CG2-CD2 4.14Å; Y262-L265 HydrophobicContact CD1-CB 3.54Å; Y262-L265 HydrophobicContact CD1-CD2 4.17Å; Y262-L265 HydrophobicContact CD1-CG 4.47Å; Y262-L265 HydrophobicContact CE1-CB 3.99Å; Y262-L265 HydrophobicContact CG-CB 3.94Å; Y262-L265 PolarHBondContact O-N 3.11Å; G263-L265 VanDerWaalsContact C-N 3.31Å; G263-L265 PolarHBondContact O-N 3.19Å
266L89.6Confident93.3Very high3 Ų323.5 Ų23.52%0.01613%0.13CC..  trans-113.472.2-173-54.2-177.2000110.1L215 I227 I259 Y262 G263 H268 A269 K328L215-L266 HydrophobicContact CB-CD1 4.47Å; L215-L266 HydrophobicContact CB-CD2 4.31Å; L215-L266 HydrophobicContact CD1-CD1 4.16Å; L215-L266 HydrophobicContact CD2-CD1 4.22Å; L215-L266 HydrophobicContact CD2-CD2 4.47Å; I227-L266 HydrophobicContact CD1-CD2 3.79Å; I259-L266 HydrophobicContact CG2-CD1 4.41Å; I259-L266 WeakPolarHBondContact O-CD1 3.35Å; Y262-L266 PolarHBondContact O-N 2.83Å; G263-L266 CarbonylContact O-C 3.57Å; L266-H268 VanDerWaalsContact C-N 3.28Å; L266-H268 PolarHBondContact O-N 3.5Å; L266-A269 HydrophobicContact CB-CB 3.74Å; L266-A269 HydrophobicContact CD1-CB 4.47Å; L266-K328 WeakPolarHBondContact O-CE 3.18Å; L266-K328 PolarHBondContact O-NZ 3.01Å
267S85.1Confident93.1Very high67 Ų6724.4 Ų24.447%0.46914%0.137SC..THydrogen-bonded Turntrans-66.8-29.6-174.4-45.50000113.2G263G263-S267 VanDerWaalsContact O-CA 3.23Å; G263-S267 WeakPolarHBondContact O-CA 3.41Å; G263-S267 PolarHBondContact O-N 3.2Å; G263-S267 PolarHBondContact O-OG 3.36Å
268H88.5Confident92.7Very high67 Ų6726.2 Ų26.231%0.3115%0.145SC..THydrogen-bonded Turntrans-12053.7-176.7-5495.7000112.2F226 I227 L266 F323F226-H268 WeakPolarHBondContact CA-O 3.3Å; F226-H268 HydrophobicContact CD1-CB 3.64Å; F226-H268 HydrophobicContact CE1-CB 3.78Å; F226-H268 AromaticContact CE1-CD2 3.76Å; F226-H268 AromaticContact CE1-CG 3.92Å; F226-H268 HydrophobicContact CG-CB 4.28Å; I227-H268 PolarHBondContact N-O 2.82Å; L266-H268 VanDerWaalsContact C-N 3.28Å; L266-H268 PolarHBondContact O-N 3.5Å; H268-F323 VanDerWaalsContact CA-CZ 3.47Å; H268-F323 HydrophobicContact CB-CZ 3.85Å
269A91.4Very high92.5Very high2 Ų225.5 Ų25.52%0.01714%0.141CC..EExtended strand (participates in β ladder)trans-127.7148.9-175.400000113.5I227 L266 K328I227-A269 HydrophobicContact CB-CB 3.96Å; I227-A269 WeakPolarHBondContact O-CA 3.45Å; L266-A269 HydrophobicContact CB-CB 3.74Å; L266-A269 HydrophobicContact CD1-CB 4.47Å; A269-K328 WeakPolarHBondContact O-CG 3.18Å
270C92.9Very high92Very high1 Ų132.2 Ų32.21%0.00717%0.167CC..EExtended strand (participates in β ladder)trans-138.6165.7163.384.30000110.4I227 F228 S229 L318 C322 K328I227-C270 PolarHBondContact O-N 3.4Å; F228-C270 VanDerWaalsContact CD2-SG 3.53Å; S229-C270 PolarHBondContact N-O 2.66Å; C270-L318 HydrophobicContact CB-CD2 4.2Å; C270-L318 WeakPolarHBondContact SG-CD2 3.22Å; C270-C322 HydrophobicContact CB-CB 4.1Å; C270-C322 WeakPolarHBondContact CB-SG 3.35Å; C270-K328 CarbonylContact C-O 3.57Å; C270-K328 VanDerWaalsContact CA-O 3.32Å; C270-K328 WeakPolarHBondContact CA-O 3.09Å; C270-K328 VanDerWaalsContact CB-O 3.26Å; C270-K328 WeakPolarHBondContact CB-O 3.43Å
271W95.8Very high91.5Very high1 Ų136.2 Ų36.20%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-141.9140.3-177.158.8-83.5000112.9S229 P231 L257 L260 E261 P273 K328 M329 L330 Y354S229-W271 CarbonylContact O-C 3.45Å; S229-W271 WeakPolarHBondContact O-CA 3.5Å; P231-W271 HydrophobicContact CG-CE3 4.45Å; L257-W271 HydrophobicContact CD1-CH2 4.11Å; L257-W271 HydrophobicContact CD2-CD2 4.41Å; L257-W271 HydrophobicContact CD2-CE3 3.95Å; L257-W271 HydrophobicContact CD2-CH2 3.61Å; L257-W271 HydrophobicContact CD2-CZ2 4.1Å; L257-W271 HydrophobicContact CD2-CZ3 3.53Å; L257-W271 HydrophobicContact CG-CH2 4.44Å; L260-W271 HydrophobicContact CB-CG 4.06Å; L260-W271 HydrophobicContact CD1-CB 4Å; L260-W271 HydrophobicContact CD1-CD2 4.3Å; L260-W271 HydrophobicContact CD1-CG 4.04Å; L260-W271 HydrophobicContact CD2-CB 4.39Å; E261-W271 HydrophobicContact CG-CZ2 4.32Å; E261-W271 WeakPolarHBondContact OE1-CZ2 3.26Å; E261-W271 PolarHBondContact OE1-NE1 3.12Å; W271-P273 HydrophobicContact CE3-CB 4.21Å; W271-P273 HydrophobicContact CE3-CG 4Å; W271-P273 HydrophobicContact CZ3-CB 3.95Å; W271-P273 HydrophobicContact CZ3-CG 3.64Å; W271-K328 PolarHBondContact N-O 3.38Å; W271-M329 HydrophobicContact CD2-CB 4.27Å; W271-M329 HydrophobicContact CD2-CG 4.37Å; W271-M329 HydrophobicContact CE3-CG 4.2Å; W271-M329 HydrophobicContact CH2-CB 3.81Å; W271-M329 HydrophobicContact CH2-CG 3.44Å; W271-M329 VanDerWaalsContact CH2-CG 3.44Å; W271-M329 HydrophobicContact CH2-SD 3.22Å; W271-M329 WeakPolarHBondContact CH2-SD 3.41Å; W271-M329 HydrophobicContact CZ2-CB 3.39Å; W271-M329 HydrophobicContact CZ2-CG 3.62Å; W271-M329 HydrophobicContact CZ2-SD 3.8Å; W271-M329 HydrophobicContact CZ3-CB 4.39Å; W271-M329 HydrophobicContact CZ3-CG 3.74Å; W271-M329 HydrophobicContact CZ3-SD 3.81Å; W271-L330 PolarHBondContact O-N 2.88Å; W271-Y354 HydrophobicContact CZ3-CE2 4.46Å
272L96.2Very high91.3Very high0 Ų035.7 Ų35.70%019%0.186CC..  trans-121.798.4-178.2179.967.2000109.6F228 S229 V230 I274 V299 L330 V332F228-L272 HydrophobicContact CE2-CB 3.86Å; F228-L272 HydrophobicContact CZ-CB 3.79Å; F228-L272 HydrophobicContact CZ-CD2 3.99Å; S229-L272 PolarHBondContact O-N 3.27Å; V230-L272 WeakPolarHBondContact CA-O 3.25Å; L272-I274 HydrophobicContact CD2-CG2 4.49Å; L272-I274 HydrophobicContact CG-CG2 4.25Å; L272-V299 HydrophobicContact CD2-CB 4.48Å; L272-V299 HydrophobicContact CD2-CG1 4.19Å; L272-V299 HydrophobicContact CD2-CG2 4.17Å; L272-L330 HydrophobicContact CB-CB 4.31Å; L272-L330 HydrophobicContact CD1-CB 3.67Å; L272-V332 HydrophobicContact CD1-CB 3.83Å; L272-V332 HydrophobicContact CD1-CG1 3.87Å; L272-V332 HydrophobicContact CD2-CB 4.34Å; L272-V332 HydrophobicContact CD2-CG1 4.16Å; L272-V332 HydrophobicContact CG-CG1 4.29Å
273P98.1Very high90.8Very high0 Ų037.1 Ų37.10%021%0.205CC..  trans-72.7134.6177.234.5-34.6000110.3P231 Y233 W271 L330 N352 P353P231-P273 WeakPolarHBondContact O-CA 3.3Å; Y233-P273 HydrophobicContact CD2-CB 4.34Å; Y233-P273 HydrophobicContact CE2-CB 3.57Å; W271-P273 HydrophobicContact CE3-CB 4.21Å; W271-P273 HydrophobicContact CE3-CG 4Å; W271-P273 HydrophobicContact CZ3-CB 3.95Å; W271-P273 HydrophobicContact CZ3-CG 3.64Å; P273-L330 WeakPolarHBondContact CD-O 3.36Å; P273-N352 HydrophobicContact CG-CB 4.44Å; P273-N352 WeakPolarHBondContact CG-ND2 3.18Å; P273-P353 HydrophobicContact CB-CG 4.25Å
274I98.2Very high90.8Very high0 Ų037.7 Ų37.70%020%0.198CC..EExtended strand (participates in β ladder)trans-131128.6177.958.7175.4000111.6V230 P231 V232 Y233 L272 L292 I296 V332 L351V230-I274 HydrophobicContact CG1-CD1 3.43Å; V230-I274 VanDerWaalsContact CG1-CD1 3.43Å; V230-I274 HydrophobicContact CG1-CG1 3.64Å; P231-I274 PolarHBondContact O-N 2.83Å; V232-I274 WeakPolarHBondContact CA-O 3.43Å; V232-I274 HydrophobicContact CB-CG1 4.49Å; V232-I274 HydrophobicContact CG1-CG1 4.33Å; V232-I274 HydrophobicContact CG2-CD1 4.22Å; V232-I274 HydrophobicContact CG2-CG1 4.13Å; Y233-I274 PolarHBondContact N-O 2.97Å; L272-I274 HydrophobicContact CD2-CG2 4.49Å; L272-I274 HydrophobicContact CG-CG2 4.25Å; I274-L292 HydrophobicContact CB-CD2 4.33Å; I274-L292 HydrophobicContact CD1-CB 4.17Å; I274-L292 HydrophobicContact CD1-CD1 4.29Å; I274-L292 HydrophobicContact CD1-CD2 4.37Å; I274-I296 HydrophobicContact CD1-CD1 3.93Å; I274-I296 HydrophobicContact CD1-CG1 4.09Å; I274-V332 HydrophobicContact CG2-CG1 4.19Å; I274-L351 CarbonylContact C-O 3.48Å; I274-L351 WeakPolarHBondContact CA-O 3.03Å; I274-L351 HydrophobicContact CB-CB 4.42Å; I274-L351 HydrophobicContact CG2-CB 4.27Å; I274-L351 HydrophobicContact CG2-CD1 4.43Å
275D97.4Very high90.9Very high0 Ų034.3 Ų34.30%018%0.184CC..EExtended strand (participates in β ladder)trans-111.2115.1-178.3-177.33.9000111.6S235 S277 Q278 L351 P353S235-D275 VanDerWaalsContact CB-OD2 3.25Å; S235-D275 WeakPolarHBondContact CB-OD2 3.34Å; S235-D275 PolarHBondContact N-OD1 3.47Å; S235-D275 VanDerWaalsContact OG-CG 3.29Å; S235-D275 PolarHBondContact OG-OD2 2.88Å; D275-S277 PolarHBondContact O-N 3.36Å; D275-S277 VanDerWaalsContact O-N 3.12Å; D275-S277 WeakPolarHBondContact OD1-CB 3.1Å; D275-S277 PolarHBondContact OD1-N 3.4Å; D275-S277 PolarHBondContact OD1-OG 3.36Å; D275-Q278 HydrophobicContact CB-CG 4.02Å; D275-Q278 PolarHBondContact O-N 3.26Å; D275-Q278 PolarHBondContact OD2-NE2 3.23Å; D275-Q278 VanDerWaalsContact OD2-NE2 3.1Å; D275-L351 PolarHBondContact N-O 3.1Å; D275-P353 HydrophobicContact CB-CB 4.05Å
276A94.9Very high90.9Very high0 Ų032 Ų320%017%0.172CC..G310 helixtrans-62.4-19.2177.800000113.3Y233 Q278 L279 M289 L292Y233-A276 PolarHBondContact O-N 3.18Å; A276-Q278 PolarHBondContact O-N 3.19Å; A276-L279 PolarHBondContact O-N 2.96Å; A276-M289 HydrophobicContact CB-CE 3.82Å; A276-M289 HydrophobicContact CB-SD 4.28Å; A276-L292 HydrophobicContact CB-CD1 3.8Å
277S93.2Very high91.1Very high20 Ų2034.4 Ų34.414%0.1418%0.182CC..G310 helixtrans-66.7-27.9-179.7-490000112.7N234 S235 S236 D275 L279N234-S277 VanDerWaalsContact C-OG 3.31Å; N234-S277 PolarHBondContact OD1-OG 3.4Å; S235-S277 PolarHBondContact N-OG 2.73Å; S236-S277 WeakPolarHBondContact CB-OG 3.4Å; S236-S277 PolarHBondContact N-OG 3.33Å; S236-S277 PolarHBondContact OG-OG 3.37Å; D275-S277 PolarHBondContact O-N 3.36Å; D275-S277 VanDerWaalsContact O-N 3.12Å; D275-S277 WeakPolarHBondContact OD1-CB 3.1Å; D275-S277 PolarHBondContact OD1-N 3.4Å; D275-S277 PolarHBondContact OD1-OG 3.36Å; S277-L279 PolarHBondContact O-N 3.28Å
278Q90Very high91.5Very high37 Ų3733.1 Ų33.117%0.17317%0.168CC..G310 helixtrans-71.5-16.5-176.9-51.6-59-42.400112.2D275 A276 Y280 Y349 N350 L351 N356D275-Q278 HydrophobicContact CB-CG 4.02Å; D275-Q278 PolarHBondContact O-N 3.26Å; D275-Q278 PolarHBondContact OD2-NE2 3.23Å; D275-Q278 VanDerWaalsContact OD2-NE2 3.1Å; A276-Q278 PolarHBondContact O-N 3.19Å; Q278-Y280 WeakPolarHBondContact O-CD1 3.34Å; Q278-Y280 WeakPolarHBondContact O-CE1 3.28Å; Q278-Y280 PolarHBondContact O-N 3.07Å; Q278-Y349 WeakPolarHBondContact O-CD1 3.26Å; Q278-N350 WeakPolarHBondContact CB-O 3.43Å; Q278-N350 VanDerWaalsContact CG-O 3.3Å; Q278-N350 WeakPolarHBondContact CG-O 3.31Å; Q278-L351 HydrophobicContact CB-CD2 4.05Å; Q278-N356 PolarHBondContact OE1-ND2 3.29Å; Q278-N356 VanDerWaalsContact OE1-ND2 3.07Å
279L92.2Very high91.8Very high0 Ų030.1 Ų30.10%016%0.155CC..  trans-91.560.5-178.7-66.5176.2000112A276 S277 H282 K288 V291 L292 Y349 L351A276-L279 PolarHBondContact O-N 2.96Å; S277-L279 PolarHBondContact O-N 3.28Å; L279-H282 PolarHBondContact O-N 2.87Å; L279-K288 HydrophobicContact CB-CB 4.38Å; L279-K288 HydrophobicContact CB-CD 4.47Å; L279-K288 HydrophobicContact CB-CG 4.13Å; L279-K288 HydrophobicContact CD1-CB 4.26Å; L279-K288 WeakPolarHBondContact CD1-O 3.29Å; L279-K288 WeakPolarHBondContact O-CE 3.42Å; L279-K288 PolarHBondContact O-NZ 2.83Å; L279-V291 HydrophobicContact CD1-CB 3.87Å; L279-V291 HydrophobicContact CD1-CG1 3.82Å; L279-V291 HydrophobicContact CD2-CG1 3.8Å; L279-V291 HydrophobicContact CG-CG1 4.49Å; L279-L292 HydrophobicContact CD1-CD2 3.65Å; L279-L292 HydrophobicContact CD1-CG 3.81Å; L279-Y349 HydrophobicContact CD2-CD1 4.22Å; L279-Y349 HydrophobicContact CD2-CD2 3.72Å; L279-Y349 HydrophobicContact CD2-CE2 4.07Å; L279-Y349 HydrophobicContact CD2-CG 3.8Å; L279-L351 HydrophobicContact CD2-CD2 4.13Å; L279-L351 HydrophobicContact CG-CD2 4.16Å
280Y85.3Confident91.9Very high155 Ų15530.4 Ų30.461%0.60816%0.156SC*.THydrogen-bonded Turntrans-70.5-29.2-174.448.1-95.5000114.3Q278 H282 Y349Q278-Y280 WeakPolarHBondContact O-CD1 3.34Å; Q278-Y280 WeakPolarHBondContact O-CE1 3.28Å; Q278-Y280 PolarHBondContact O-N 3.07Å; Y280-H282 PolarHBondContact O-N 3.23Å; Y280-Y349 HydrophobicContact CE1-CD1 4.33Å; Y280-Y349 HydrophobicContact CE1-CE1 4.18Å; Y280-Y349 HydrophobicContact CE2-CE1 4.4Å
281D85.6Confident92.1Very high88 Ų8830.3 Ų30.347%0.47116%0.156SC..THydrogen-bonded Turntrans-73.9-2.9178.8-59.4-43.2000113.9P283 Y349D281-P283 VanDerWaalsContact O-CD 3.23Å; D281-P283 WeakPolarHBondContact O-CD 3.34Å; D281-Y349 WeakPolarHBondContact CB-OH 3.4Å; D281-Y349 PolarHBondContact OD2-OH 3.31Å
282H87.2Confident92.2Very high12 Ų1230.3 Ų30.36%0.05616%0.156CC..  trans-109.788.3180-58.6-72.1000109.1L279 Y280 H284 K287 K288 Y453L279-H282 PolarHBondContact O-N 2.87Å; Y280-H282 PolarHBondContact O-N 3.23Å; H282-H284 PolarHBondContact O-N 3.2Å; H282-K287 HydrophobicContact CB-CB 4.18Å; H282-K288 HydrophobicContact CB-CG 3.88Å; H282-K288 WeakPolarHBondContact O-CE 3.23Å; H282-K288 WeakPolarHBondContact O-CG 3.26Å; H282-Y453 AromaticContact CE1-CE2 3.92Å; H282-Y453 AromaticContact ND1-CE2 3.43Å; H282-Y453 WeakPolarHBondContact ND1-CE2 3.48Å; H282-Y453 AromaticContact ND1-CZ 3.51Å; H282-Y453 PolarHBondContact ND1-OH 3.04Å
283P81.5Confident92.3Very high109 Ų10930.3 Ų30.371%0.70816%0.156SC*.  trans-68.7-34.2-166.924.7-35000113.4D281D281-P283 VanDerWaalsContact O-CD 3.23Å; D281-P283 WeakPolarHBondContact O-CD 3.34Å
284H87.6Confident92.2Very high44 Ų4430.4 Ų30.420%0.20416%0.157CC..SBendtrans-79.3131.7180-167.9-88000110.6H282 C286 K287 K288 Q451H282-H284 PolarHBondContact O-N 3.2Å; H284-C286 VanDerWaalsContact C-N 3.28Å; H284-C286 VanDerWaalsContact CE1-SG 3.56Å; H284-C286 WeakPolarHBondContact ND1-CB 3.29Å; H284-C286 PolarHBondContact ND1-N 2.94Å; H284-C286 VanDerWaalsContact ND1-N 3.11Å; H284-C286 PolarHBondContact O-N 2.93Å; H284-K287 HydrophobicContact CB-CB 4.2Å; H284-K287 HydrophobicContact CB-CD 4.03Å; H284-K287 HydrophobicContact CB-CG 4Å; H284-K287 WeakPolarHBondContact O-CA 3.33Å; H284-K287 WeakPolarHBondContact O-CB 3.38Å; H284-K287 PolarHBondContact O-N 2.83Å; H284-K288 PolarHBondContact O-N 2.95Å; H284-Q451 HydrophobicContact CB-CB 4.39Å; H284-Q451 PolarHBondContact CE1-N 3.44Å
285P88.7Confident92.2Very high65 Ų6530.4 Ų30.442%0.42216%0.157SC..Hα-helixtrans-53.2-42.9180-28.535000113.3K287 K288 M289P285-K287 VanDerWaalsContact C-N 3.28Å; P285-K287 PolarHBondContact O-N 3.01Å; P285-K288 WeakPolarHBondContact O-CB 3.39Å; P285-K288 PolarHBondContact O-N 3.47Å; P285-M289 WeakPolarHBondContact O-CG 3.47Å; P285-M289 PolarHBondContact O-N 2.95Å
286C90.5Very high92.2Very high2 Ų230.5 Ų30.51%0.01416%0.157CC..Hα-helixtrans-67.4-26.1177.7-58.10000113.2H23 C117 H284 S290 Q451H23-C286 PolarHBondContact NE2-O 3.5Å; C117-C286 PolarHBondContact SG-SG 3.47Å; H284-C286 VanDerWaalsContact C-N 3.28Å; H284-C286 VanDerWaalsContact CE1-SG 3.56Å; H284-C286 WeakPolarHBondContact ND1-CB 3.29Å; H284-C286 PolarHBondContact ND1-N 2.94Å; H284-C286 VanDerWaalsContact ND1-N 3.11Å; H284-C286 PolarHBondContact O-N 2.93Å; C286-S290 VanDerWaalsContact O-CB 3.28Å; C286-S290 WeakPolarHBondContact O-CB 3.16Å; C286-S290 PolarHBondContact O-N 2.8Å; C286-S290 PolarHBondContact O-OG 3.03Å; C286-Q451 CarbonylContact C-O 3.53Å; C286-Q451 VanDerWaalsContact C-O 3.24Å; C286-Q451 WeakPolarHBondContact CB-O 3.34Å
287K92.2Very high92.2Very high52 Ų5230.8 Ų30.823%0.22616%0.158CC..Hα-helixtrans-67.8-44.3172.5-75.6179.8173.2179.40110.1H282 H284 P285 S290 V291 Q451 Y453H282-K287 HydrophobicContact CB-CB 4.18Å; H284-K287 HydrophobicContact CB-CB 4.2Å; H284-K287 HydrophobicContact CB-CD 4.03Å; H284-K287 HydrophobicContact CB-CG 4Å; H284-K287 WeakPolarHBondContact O-CA 3.33Å; H284-K287 WeakPolarHBondContact O-CB 3.38Å; H284-K287 PolarHBondContact O-N 2.83Å; P285-K287 VanDerWaalsContact C-N 3.28Å; P285-K287 PolarHBondContact O-N 3.01Å; K287-S290 WeakPolarHBondContact CA-OG 3.26Å; K287-S290 PolarHBondContact O-N 2.89Å; K287-S290 PolarHBondContact O-OG 3.28Å; K287-V291 WeakPolarHBondContact O-CG2 3.37Å; K287-V291 PolarHBondContact O-N 2.91Å; K287-V291 VanDerWaalsContact O-N 3.1Å; K287-Q451 HydrophobicContact CG-CB 4.41Å; K287-Q451 WeakPolarHBondContact CG-O 3.04Å; K287-Q451 PolarHBondContact N-O 2.85Å; K287-Q451 VanDerWaalsContact N-O 3.15Å; K287-Y453 HydrophobicContact CB-CD2 4.41Å; K287-Y453 HydrophobicContact CB-CE2 3.72Å; K287-Y453 HydrophobicContact CD-CE1 4.17Å; K287-Y453 HydrophobicContact CD-CE2 4.24Å; K287-Y453 HydrophobicContact CG-CD2 4.42Å; K287-Y453 HydrophobicContact CG-CE1 4.49Å; K287-Y453 HydrophobicContact CG-CE2 3.92Å
288K93.9Very high92.3Very high40 Ų4029.8 Ų29.817%0.17415%0.152CC..Hα-helixtrans-56.6-51.6172.8-59.5-173.6175.7-150.10111.3L279 H282 H284 P285 S290 V291 L292L279-K288 HydrophobicContact CB-CB 4.38Å; L279-K288 HydrophobicContact CB-CD 4.47Å; L279-K288 HydrophobicContact CB-CG 4.13Å; L279-K288 HydrophobicContact CD1-CB 4.26Å; L279-K288 WeakPolarHBondContact CD1-O 3.29Å; L279-K288 WeakPolarHBondContact O-CE 3.42Å; L279-K288 PolarHBondContact O-NZ 2.83Å; H282-K288 HydrophobicContact CB-CG 3.88Å; H282-K288 WeakPolarHBondContact O-CE 3.23Å; H282-K288 WeakPolarHBondContact O-CG 3.26Å; H284-K288 PolarHBondContact O-N 2.95Å; P285-K288 WeakPolarHBondContact O-CB 3.39Å; P285-K288 PolarHBondContact O-N 3.47Å; K288-S290 VanDerWaalsContact C-N 3.29Å; K288-S290 PolarHBondContact O-N 2.89Å; K288-V291 PolarHBondContact O-N 3.18Å; K288-V291 VanDerWaalsContact O-N 3.09Å; K288-L292 PolarHBondContact O-N 3.11Å
289M94.7Very high92.5Very high5 Ų528 Ų283%0.02514%0.143CC..Hα-helixtrans-64.1-34.1-178.7-58.1-38.6149.900112.4L16 R19 V20 H23 A276 P285 V291 L292 A293L16-M289 HydrophobicContact CD1-CE 3.48Å; L16-M289 VanDerWaalsContact CD1-CE 3.48Å; L16-M289 HydrophobicContact CD1-SD 3.85Å; R19-M289 HydrophobicContact CB-CG 4.31Å; R19-M289 HydrophobicContact CG-CB 4.29Å; R19-M289 HydrophobicContact CG-CG 3.84Å; V20-M289 HydrophobicContact CG2-CB 4.18Å; V20-M289 HydrophobicContact CG2-CG 4.22Å; V20-M289 HydrophobicContact CG2-SD 3.55Å; V20-M289 VanDerWaalsContact CG2-SD 3.55Å; H23-M289 VanDerWaalsContact CD2-CB 3.49Å; H23-M289 WeakPolarHBondContact CD2-CB 3.22Å; A276-M289 HydrophobicContact CB-CE 3.82Å; A276-M289 HydrophobicContact CB-SD 4.28Å; P285-M289 WeakPolarHBondContact O-CG 3.47Å; P285-M289 PolarHBondContact O-N 2.95Å; M289-V291 VanDerWaalsContact C-N 3.34Å; M289-V291 PolarHBondContact O-N 2.91Å; M289-L292 PolarHBondContact O-N 2.82Å; M289-L292 HydrophobicContact SD-CD1 4.2Å; M289-A293 WeakPolarHBondContact O-CB 3.36Å; M289-A293 PolarHBondContact O-N 2.85Å
290S94.4Very high92.4Very high7 Ų728.3 Ų28.35%0.04915%0.145CC..Hα-helixtrans-67-32.4174.173.40000113.5C286 K287 K288 S294 Y453C286-S290 VanDerWaalsContact O-CB 3.28Å; C286-S290 WeakPolarHBondContact O-CB 3.16Å; C286-S290 PolarHBondContact O-N 2.8Å; C286-S290 PolarHBondContact O-OG 3.03Å; K287-S290 WeakPolarHBondContact CA-OG 3.26Å; K287-S290 PolarHBondContact O-N 2.89Å; K287-S290 PolarHBondContact O-OG 3.28Å; K288-S290 VanDerWaalsContact C-N 3.29Å; K288-S290 PolarHBondContact O-N 2.89Å; S290-S294 WeakPolarHBondContact O-CB 3.23Å; S290-S294 PolarHBondContact O-N 3.01Å; S290-S294 PolarHBondContact O-OG 3.29Å; S290-Y453 WeakPolarHBondContact OG-CD2 3.32Å
291V96.3Very high92.7Very high0 Ų020.9 Ų20.90%012%0.116CC..Hα-helixtrans-72.5-43.1173.3173.20000110.4L279 K287 K288 M289 A293 S294 V295 V336 Y453 M458L279-V291 HydrophobicContact CD1-CB 3.87Å; L279-V291 HydrophobicContact CD1-CG1 3.82Å; L279-V291 HydrophobicContact CD2-CG1 3.8Å; L279-V291 HydrophobicContact CG-CG1 4.49Å; K287-V291 WeakPolarHBondContact O-CG2 3.37Å; K287-V291 PolarHBondContact O-N 2.91Å; K287-V291 VanDerWaalsContact O-N 3.1Å; K288-V291 PolarHBondContact O-N 3.18Å; K288-V291 VanDerWaalsContact O-N 3.09Å; M289-V291 VanDerWaalsContact C-N 3.34Å; M289-V291 PolarHBondContact O-N 2.91Å; V291-A293 VanDerWaalsContact C-N 3.34Å; V291-A293 PolarHBondContact O-N 3.35Å; V291-S294 WeakPolarHBondContact O-CA 3.45Å; V291-S294 VanDerWaalsContact O-CB 3.26Å; V291-S294 WeakPolarHBondContact O-CB 3.46Å; V291-S294 PolarHBondContact O-N 3.18Å; V291-S294 VanDerWaalsContact O-N 3.11Å; V291-V295 WeakPolarHBondContact O-CG2 3.43Å; V291-V295 PolarHBondContact O-N 2.95Å; V291-V336 HydrophobicContact CG1-CG1 4.33Å; V291-V336 HydrophobicContact CG1-CG2 4.28Å; V291-V336 HydrophobicContact CG2-CG2 4.45Å; V291-Y453 HydrophobicContact CG2-CD2 4.06Å; V291-Y453 HydrophobicContact CG2-CE2 3.94Å; V291-M458 HydrophobicContact CG1-CE 4.13Å
292L97.9Very high92.8Very high0 Ų016.9 Ų16.90%010%0.095CC..Hα-helixtrans-61.2-42.1174.5-67.5-171.7000112.4V20 V232 I274 A276 L279 K288 M289 S294 V295 I296 L351V20-L292 HydrophobicContact CG1-CB 3.9Å; V20-L292 HydrophobicContact CG2-CB 4.13Å; V20-L292 HydrophobicContact CG2-CD1 3.96Å; V232-L292 HydrophobicContact CG1-CD1 4.43Å; I274-L292 HydrophobicContact CB-CD2 4.33Å; I274-L292 HydrophobicContact CD1-CB 4.17Å; I274-L292 HydrophobicContact CD1-CD1 4.29Å; I274-L292 HydrophobicContact CD1-CD2 4.37Å; A276-L292 HydrophobicContact CB-CD1 3.8Å; L279-L292 HydrophobicContact CD1-CD2 3.65Å; L279-L292 HydrophobicContact CD1-CG 3.81Å; K288-L292 PolarHBondContact O-N 3.11Å; M289-L292 PolarHBondContact O-N 2.82Å; M289-L292 HydrophobicContact SD-CD1 4.2Å; L292-S294 VanDerWaalsContact C-N 3.27Å; L292-S294 PolarHBondContact O-N 3.31Å; L292-V295 WeakPolarHBondContact O-CB 3.46Å; L292-V295 PolarHBondContact O-N 3.3Å; L292-V295 VanDerWaalsContact O-N 3.12Å; L292-I296 WeakPolarHBondContact O-CG1 3.47Å; L292-I296 PolarHBondContact O-N 3.09Å; L292-L351 HydrophobicContact CD2-CD1 3.74Å; L292-L351 HydrophobicContact CD2-CD2 4.27Å
293A98.1Very high92.9Very high0 Ų016.5 Ų16.50%09%0.093CC..Hα-helixtrans-59.1-40.1172.600000112.5V20 H23 F24 L27 M289 V291 V295 I296 D297V20-A293 HydrophobicContact CG1-CB 4.36Å; V20-A293 WeakPolarHBondContact O-CB 3.31Å; H23-A293 HydrophobicContact CB-CB 3.63Å; F24-A293 HydrophobicContact CB-CB 3.96Å; F24-A293 VanDerWaalsContact N-CB 3.3Å; L27-A293 HydrophobicContact CD1-CB 4.42Å; M289-A293 WeakPolarHBondContact O-CB 3.36Å; M289-A293 PolarHBondContact O-N 2.85Å; V291-A293 VanDerWaalsContact C-N 3.34Å; V291-A293 PolarHBondContact O-N 3.35Å; A293-V295 VanDerWaalsContact C-N 3.29Å; A293-V295 PolarHBondContact O-N 2.83Å; A293-I296 PolarHBondContact O-N 3.28Å; A293-D297 WeakPolarHBondContact O-CB 3.28Å; A293-D297 PolarHBondContact O-N 3.24Å
294S97.3Very high93.2Very high3 Ų311.7 Ų11.72%0.0216%0.061CC..Hα-helixtrans-63.3-36175.5-66.80000112S290 V291 L292 T298 L433 M458S290-S294 WeakPolarHBondContact O-CB 3.23Å; S290-S294 PolarHBondContact O-N 3.01Å; S290-S294 PolarHBondContact O-OG 3.29Å; V291-S294 WeakPolarHBondContact O-CA 3.45Å; V291-S294 VanDerWaalsContact O-CB 3.26Å; V291-S294 WeakPolarHBondContact O-CB 3.46Å; V291-S294 PolarHBondContact O-N 3.18Å; V291-S294 VanDerWaalsContact O-N 3.11Å; L292-S294 VanDerWaalsContact C-N 3.27Å; L292-S294 PolarHBondContact O-N 3.31Å; S294-T298 VanDerWaalsContact O-CB 3.31Å; S294-T298 WeakPolarHBondContact O-CB 3.44Å; S294-T298 PolarHBondContact O-N 3.23Å; S294-T298 PolarHBondContact O-OG1 3.39Å; S294-L433 VanDerWaalsContact CB-CD1 3.45Å; S294-M458 VanDerWaalsContact CB-CE 3.45Å; S294-M458 VanDerWaalsContact O-SD 3.37Å
295V98Very high93.3Very high0 Ų09.6 Ų9.60%05%0.052CC..Hα-helixtrans-67.1-50.3174.4172.70000110.8V291 L292 A293 D297 T298 V299 V332 T334 L351 M458V291-V295 WeakPolarHBondContact O-CG2 3.43Å; V291-V295 PolarHBondContact O-N 2.95Å; L292-V295 WeakPolarHBondContact O-CB 3.46Å; L292-V295 PolarHBondContact O-N 3.3Å; L292-V295 VanDerWaalsContact O-N 3.12Å; A293-V295 VanDerWaalsContact C-N 3.29Å; A293-V295 PolarHBondContact O-N 2.83Å; V295-D297 VanDerWaalsContact C-N 3.25Å; V295-D297 PolarHBondContact O-N 3.47Å; V295-T298 PolarHBondContact O-N 2.89Å; V295-T298 VanDerWaalsContact O-N 3.12Å; V295-V299 HydrophobicContact CG1-CG2 4.23Å; V295-V299 WeakPolarHBondContact O-CG2 3.48Å; V295-V299 PolarHBondContact O-N 3.24Å; V295-V332 HydrophobicContact CG1-CG1 3.95Å; V295-V332 HydrophobicContact CG1-CG2 4.01Å; V295-T334 HydrophobicContact CG2-CG2 3.84Å; V295-L351 HydrophobicContact CB-CD1 4.32Å; V295-L351 HydrophobicContact CG1-CD1 4.12Å; V295-L351 HydrophobicContact CG2-CD1 3.77Å; V295-M458 HydrophobicContact CB-SD 4.29Å; V295-M458 HydrophobicContact CG2-CE 3.78Å; V295-M458 HydrophobicContact CG2-SD 3.65Å; V295-M458 PolarHBondContact N-SD 2.75Å
296I97.2Very high93.2Very high1 Ų17 Ų71%0.0054%0.035CC..Hα-helixtrans-57.1-44.3176.5-62.4171.4000109.8V20 F24 V200 V230 I274 L292 A293 T298 T300V20-I296 HydrophobicContact CG1-CD1 3.66Å; F24-I296 HydrophobicContact CD2-CB 4.4Å; F24-I296 HydrophobicContact CD2-CG2 4.08Å; F24-I296 HydrophobicContact CE2-CG2 4.09Å; V200-I296 HydrophobicContact CG1-CD1 4.43Å; V230-I296 HydrophobicContact CG1-CD1 3.97Å; V230-I296 HydrophobicContact CG1-CG1 4.18Å; I274-I296 HydrophobicContact CD1-CD1 3.93Å; I274-I296 HydrophobicContact CD1-CG1 4.09Å; L292-I296 WeakPolarHBondContact O-CG1 3.47Å; L292-I296 PolarHBondContact O-N 3.09Å; A293-I296 PolarHBondContact O-N 3.28Å; I296-T298 PolarHBondContact O-N 2.76Å; I296-T300 HydrophobicContact CG2-CG2 4.46Å; I296-T300 WeakPolarHBondContact O-CB 3.42Å; I296-T300 WeakPolarHBondContact O-CG2 3.37Å; I296-T300 PolarHBondContact O-N 3.09Å; I296-T300 PolarHBondContact O-OG1 2.99Å
297D95.4Very high92.8Very high6 Ų611.1 Ų11.13%0.0326%0.056CC..Hα-helixtrans-60.5-46177-172.3-97.4000112.2F24 L27 Q28 A293 V295 T300 T301 K304 R379 L433F24-D297 HydrophobicContact CD2-CB 4.17Å; F24-D297 HydrophobicContact CE2-CB 4.18Å; L27-D297 HydrophobicContact CD1-CB 4.11Å; Q28-D297 PolarHBondContact NE2-OD2 2.9Å; A293-D297 WeakPolarHBondContact O-CB 3.28Å; A293-D297 PolarHBondContact O-N 3.24Å; V295-D297 VanDerWaalsContact C-N 3.25Å; V295-D297 PolarHBondContact O-N 3.47Å; D297-T300 PolarHBondContact O-N 3.18Å; D297-T300 PolarHBondContact O-OG1 3.11Å; D297-T301 PolarHBondContact O-N 2.86Å; D297-T301 PolarHBondContact O-OG1 3.39Å; D297-K304 VanDerWaalsContact CG-NZ 3.27Å; D297-K304 PolarHBondContact O-NZ 3.2Å; D297-K304 IonicContact OD1-NZ 2.95Å; D297-K304 IonicContact OD2-NZ 2.85Å; D297-K304 PolarHBondContact OD2-NZ 3.34Å; D297-R379 IonicContact OD1-CZ 3.34Å; D297-R379 IonicContact OD1-NH1 2.68Å; D297-R379 PolarHBondContact OD1-NH1 2.82Å; D297-R379 IonicContact OD1-NH2 2.83Å; D297-L433 HydrophobicContact CB-CD2 4Å; D297-L433 WeakPolarHBondContact OD1-CD2 3.2Å
298T94.9Very high92.2Very high0 Ų016 Ų160%08%0.08CC..Hα-helixtrans-65.1-48-178.3-60.60000111.5S294 V295 I296 T300 T301 M377 R379 L433 C460S294-T298 VanDerWaalsContact O-CB 3.31Å; S294-T298 WeakPolarHBondContact O-CB 3.44Å; S294-T298 PolarHBondContact O-N 3.23Å; S294-T298 PolarHBondContact O-OG1 3.39Å; V295-T298 PolarHBondContact O-N 2.89Å; V295-T298 VanDerWaalsContact O-N 3.12Å; I296-T298 PolarHBondContact O-N 2.76Å; T298-T300 VanDerWaalsContact C-N 3.31Å; T298-T300 PolarHBondContact O-N 3.35Å; T298-T301 VanDerWaalsContact C-OG1 3.23Å; T298-T301 WeakPolarHBondContact CA-OG1 3.41Å; T298-T301 VanDerWaalsContact O-CB 3.3Å; T298-T301 WeakPolarHBondContact O-CB 3.39Å; T298-T301 PolarHBondContact O-N 2.7Å; T298-T301 VanDerWaalsContact O-N 3.16Å; T298-T301 PolarHBondContact O-OG1 3.39Å; T298-M377 HydrophobicContact CG2-CB 4.01Å; T298-M377 WeakPolarHBondContact O-CE 3.38Å; T298-R379 HydrophobicContact CG2-CG 4Å; T298-L433 WeakPolarHBondContact OG1-CD1 3.44Å; T298-C460 HydrophobicContact CG2-CB 3.95Å
299V92.9Very high91.7Very high0 Ų017.2 Ų17.20%08%0.084CC..Hα-helixtrans-65-35.8179.3173.70000111.6F228 L272 V295 T301 F317 V332 M377 C460 V462F228-V299 HydrophobicContact CZ-CG1 4.12Å; L272-V299 HydrophobicContact CD2-CB 4.48Å; L272-V299 HydrophobicContact CD2-CG1 4.19Å; L272-V299 HydrophobicContact CD2-CG2 4.17Å; V295-V299 HydrophobicContact CG1-CG2 4.23Å; V295-V299 WeakPolarHBondContact O-CG2 3.48Å; V295-V299 PolarHBondContact O-N 3.24Å; V299-T301 VanDerWaalsContact C-N 3.28Å; V299-T301 PolarHBondContact O-N 3.38Å; V299-F317 HydrophobicContact CG1-CZ 4.23Å; V299-V332 HydrophobicContact CG2-CG2 4.26Å; V299-M377 WeakPolarHBondContact O-CE 3.33Å; V299-C460 HydrophobicContact CG2-CB 4.21Å; V299-V462 HydrophobicContact CG1-CG2 4.21Å; V299-V462 HydrophobicContact CG2-CG2 3.74Å
300T91.7Very high91Very high5 Ų519.5 Ų19.53%0.03111%0.108CC..THydrogen-bonded Turntrans-87.42.7178.4600000113F228 I296 D297 T298 P302 S303 K304F228-T300 HydrophobicContact CD1-CG2 3.82Å; F228-T300 HydrophobicContact CE1-CG2 3.63Å; I296-T300 HydrophobicContact CG2-CG2 4.46Å; I296-T300 WeakPolarHBondContact O-CB 3.42Å; I296-T300 WeakPolarHBondContact O-CG2 3.37Å; I296-T300 PolarHBondContact O-N 3.09Å; I296-T300 PolarHBondContact O-OG1 2.99Å; D297-T300 PolarHBondContact O-N 3.18Å; D297-T300 PolarHBondContact O-OG1 3.11Å; T298-T300 VanDerWaalsContact C-N 3.31Å; T298-T300 PolarHBondContact O-N 3.35Å; T300-P302 VanDerWaalsContact C-CD 3.49Å; T300-S303 WeakPolarHBondContact O-CB 3.22Å; T300-S303 PolarHBondContact O-N 3.48Å; T300-S303 VanDerWaalsContact O-N 3.14Å; T300-S303 PolarHBondContact O-OG 3.49Å; T300-K304 WeakPolarHBondContact O-CE 3.28Å; T300-K304 PolarHBondContact OG1-NZ 2.84Å
301T91.3Very high90.6Very high0 Ų019.6 Ų19.60%011%0.111CC..Hα-helixtrans-55.7-45-173.2-46.20000114.5F45 D297 T298 V299 S303 K304 L305 R379 Y426F45-T301 HydrophobicContact CE1-CG2 3.51Å; F45-T301 HydrophobicContact CZ-CG2 4.15Å; D297-T301 PolarHBondContact O-N 2.86Å; D297-T301 PolarHBondContact O-OG1 3.39Å; T298-T301 VanDerWaalsContact C-OG1 3.23Å; T298-T301 WeakPolarHBondContact CA-OG1 3.41Å; T298-T301 VanDerWaalsContact O-CB 3.3Å; T298-T301 WeakPolarHBondContact O-CB 3.39Å; T298-T301 PolarHBondContact O-N 2.7Å; T298-T301 VanDerWaalsContact O-N 3.16Å; T298-T301 PolarHBondContact O-OG1 3.39Å; V299-T301 VanDerWaalsContact C-N 3.28Å; V299-T301 PolarHBondContact O-N 3.38Å; T301-S303 PolarHBondContact O-N 3.13Å; T301-S303 VanDerWaalsContact O-N 3.13Å; T301-K304 PolarHBondContact O-N 2.82Å; T301-L305 HydrophobicContact CG2-CD2 4.49Å; T301-L305 HydrophobicContact CG2-CG 4.22Å; T301-L305 PolarHBondContact O-N 3.29Å; T301-R379 PolarHBondContact OG1-NH1 3.47Å; T301-Y426 HydrophobicContact CG2-CE1 3.57Å; T301-Y426 WeakPolarHBondContact CG2-OH 3.34Å
302P88.1Confident90Very high4 Ų421.1 Ų21.13%0.02612%0.118CC..Hα-helixtrans-55.5-34.3-179.4-26.635.3000113.4T300 K304 G311 M312 F317 M377T300-P302 VanDerWaalsContact C-CD 3.49Å; P302-K304 PolarHBondContact O-N 3.03Å; P302-G311 CarbonylContact O-C 3.52Å; P302-G311 VanDerWaalsContact O-CA 3.27Å; P302-G311 WeakPolarHBondContact O-CA 3.41Å; P302-M312 CarbonylContact C-O 3.48Å; P302-M312 HydrophobicContact CB-CG 3.74Å; P302-M312 HydrophobicContact CB-SD 4.23Å; P302-M312 PolarHBondContact O-N 2.97Å; P302-F317 HydrophobicContact CG-CD2 4.41Å; P302-M377 HydrophobicContact CG-CE 3.36Å
303S88.2Confident89.3Confident4 Ų422.4 Ų22.43%0.02813%0.127CC..Hα-helixtrans-65.3-25.3177.375.40000114I8 T300 T301 M312I8-S303 WeakPolarHBondContact CD1-OG 3.31Å; T300-S303 WeakPolarHBondContact O-CB 3.22Å; T300-S303 PolarHBondContact O-N 3.48Å; T300-S303 VanDerWaalsContact O-N 3.14Å; T300-S303 PolarHBondContact O-OG 3.49Å; T301-S303 PolarHBondContact O-N 3.13Å; T301-S303 VanDerWaalsContact O-N 3.13Å; S303-M312 WeakPolarHBondContact CA-O 3.46Å
304K88.9Confident88.5Confident7 Ų722.6 Ų22.63%0.0313%0.128CC..Hα-helixtrans-104.2-16.7-176.2-60.5168.1-56.6-157.90113.2F45 T46 V49 L50 D297 T300 T301 P302F45-K304 CarbonylContact C-O 3.52Å; F45-K304 VanDerWaalsContact CA-O 3.26Å; F45-K304 WeakPolarHBondContact CA-O 3.08Å; F45-K304 HydrophobicContact CD1-CB 4.12Å; T46-K304 PolarHBondContact N-O 3.38Å; V49-K304 HydrophobicContact CG1-CG 4.42Å; L50-K304 HydrophobicContact CD1-CD 3.62Å; L50-K304 HydrophobicContact CD1-CG 4.23Å; L50-K304 HydrophobicContact CG-CD 4.34Å; L50-K304 HydrophobicContact CG-CG 4.43Å; D297-K304 VanDerWaalsContact CG-NZ 3.27Å; D297-K304 PolarHBondContact O-NZ 3.2Å; D297-K304 IonicContact OD1-NZ 2.95Å; D297-K304 IonicContact OD2-NZ 2.85Å; D297-K304 PolarHBondContact OD2-NZ 3.34Å; T300-K304 WeakPolarHBondContact O-CE 3.28Å; T300-K304 PolarHBondContact OG1-NZ 2.84Å; T301-K304 PolarHBondContact O-N 2.82Å; P302-K304 PolarHBondContact O-N 3.03Å
305L88.6Confident87.8Confident1 Ų124.7 Ų24.71%0.00514%0.139CC..BIsolated β-bridgetrans-64148.8176.1-76171.4000110.7K5 P44 F45 T301 Y426 L428K5-L305 PolarHBondContact NZ-O 2.86Å; P44-L305 HydrophobicContact CB-CD2 4.16Å; P44-L305 CarbonylContact O-C 3.53Å; P44-L305 VanDerWaalsContact O-CA 3.26Å; P44-L305 WeakPolarHBondContact O-CA 3.4Å; P44-L305 WeakPolarHBondContact O-CD2 3.46Å; F45-L305 HydrophobicContact CD1-CD2 4.08Å; F45-L305 HydrophobicContact CE1-CD2 3.84Å; F45-L305 HydrophobicContact CE1-CG 4.44Å; F45-L305 HydrophobicContact CZ-CD2 4.32Å; T301-L305 HydrophobicContact CG2-CD2 4.49Å; T301-L305 HydrophobicContact CG2-CG 4.22Å; T301-L305 PolarHBondContact O-N 3.29Å; L305-Y426 HydrophobicContact CD1-CD2 3.48Å; L305-Y426 VanDerWaalsContact CD1-CD2 3.48Å; L305-Y426 HydrophobicContact CD1-CE1 4.4Å; L305-Y426 HydrophobicContact CD1-CE2 3.1Å; L305-Y426 HydrophobicContact CD1-CG 4.23Å; L305-Y426 HydrophobicContact CD2-CE2 3.96Å; L305-Y426 HydrophobicContact CG-CE2 4.04Å; L305-L428 HydrophobicContact CD2-CD1 4.03Å
306A85.9Confident87Confident9 Ų927.9 Ų27.97%0.07416%0.156CC..  trans-68.8153.4167.100000110.9P44 T46 E308 Y309 G311P44-A306 PolarHBondContact O-N 3.49Å; T46-A306 WeakPolarHBondContact OG1-CA 3.46Å; A306-E308 VanDerWaalsContact C-N 3.27Å; A306-E308 HydrophobicContact CB-CG 4.19Å; A306-E308 PolarHBondContact O-N 2.86Å; A306-Y309 HydrophobicContact CB-CD2 4.06Å; A306-Y309 PolarHBondContact O-N 3.37Å; A306-G311 PolarHBondContact O-N 2.98Å
307I82.1Confident86Confident89 Ų8928 Ų2846%0.45616%0.156SC..G310 helixtrans-60.7-39.3-173.6-64.7173.2000110.7S3 K5 Y309 G310S3-I307 WeakPolarHBondContact OG-CD1 3.48Å; K5-I307 HydrophobicContact CD-CG1 4.06Å; K5-I307 VanDerWaalsContact CE-CG1 3.42Å; K5-I307 HydrophobicContact CG-CD1 4.45Å; K5-I307 HydrophobicContact CG-CG1 4.41Å; K5-I307 VanDerWaalsContact NZ-CG1 3.29Å; I307-Y309 PolarHBondContact O-N 3.44Å; I307-G310 PolarHBondContact O-N 3.39Å
308E81.3Confident85.3Confident154 Ų15427.7 Ų27.772%0.7216%0.155SC*.G310 helixtrans-60.3-23176.364.3-134.8-163.500114.4A306A306-E308 VanDerWaalsContact C-N 3.27Å; A306-E308 HydrophobicContact CB-CG 4.19Å; A306-E308 PolarHBondContact O-N 2.86Å
309Y82Confident84.4Confident67 Ų6729.9 Ų29.926%0.26317%0.17SC..G310 helixtrans-9816.7175.4-64.4-82.5000113E42 P44 A306 I307E42-Y309 VanDerWaalsContact CA-OH 3.31Å; E42-Y309 WeakPolarHBondContact CA-OH 3.31Å; E42-Y309 WeakPolarHBondContact CB-OH 3.42Å; E42-Y309 VanDerWaalsContact CD-OH 3.27Å; E42-Y309 WeakPolarHBondContact CG-OH 3.49Å; E42-Y309 PolarHBondContact OE2-OH 3.12Å; P44-Y309 HydrophobicContact CB-CD1 3.81Å; P44-Y309 HydrophobicContact CB-CD2 3.64Å; P44-Y309 HydrophobicContact CB-CE1 4.14Å; P44-Y309 HydrophobicContact CB-CE2 3.98Å; P44-Y309 HydrophobicContact CB-CG 3.56Å; A306-Y309 HydrophobicContact CB-CD2 4.06Å; A306-Y309 PolarHBondContact O-N 3.37Å; I307-Y309 PolarHBondContact O-N 3.44Å
310G80.8Confident83.2Confident52 Ų5232.1 Ų32.154%0.53618%0.184SC..THydrogen-bonded Turntrans79.616.6-179.300000114I307I307-G310 PolarHBondContact O-N 3.39Å
311G85.8Confident82Confident9 Ų932 Ų329%0.09318%0.183CC..  trans-67.3140.3174.100000111.8K5 P302 A306K5-G311 WeakPolarHBondContact CE-O 3.32Å; K5-G311 VanDerWaalsContact NZ-CA 3.34Å; K5-G311 PolarHBondContact NZ-O 3.02Å; P302-G311 CarbonylContact O-C 3.52Å; P302-G311 VanDerWaalsContact O-CA 3.27Å; P302-G311 WeakPolarHBondContact O-CA 3.41Å; A306-G311 PolarHBondContact O-N 2.98Å
312M84.3Confident80.8Confident33 Ų3332 Ų3216%0.16318%0.183CC..  trans-122.6153.6179.159.7-172.367.300109.5P302 S303 N316 F317P302-M312 CarbonylContact C-O 3.48Å; P302-M312 HydrophobicContact CB-CG 3.74Å; P302-M312 HydrophobicContact CB-SD 4.23Å; P302-M312 PolarHBondContact O-N 2.97Å; S303-M312 WeakPolarHBondContact CA-O 3.46Å; M312-N316 HydrophobicContact CB-CB 4.18Å; M312-F317 HydrophobicContact CG-CB 4.15Å; M312-F317 HydrophobicContact SD-CB 3.99Å; M312-F317 HydrophobicContact SD-CD2 4.4Å
313S82.5Confident79.5Confident26 Ų2635.4 Ų35.418%0.18220%0.198CC..  trans-66.5161.2172.950.80000111.2D315 N316 F317S313-D315 WeakPolarHBondContact CB-OD1 3.46Å; S313-D315 PolarHBondContact O-N 2.85Å; S313-D315 PolarHBondContact OG-OD1 3.15Å; S313-D315 PolarHBondContact OG-OD2 2.59Å; S313-N316 PolarHBondContact O-N 2.88Å; S313-F317 PolarHBondContact O-N 3.08Å
314L81.6Confident78.1Confident5 Ų539 Ų393%0.02623%0.227CC..Hα-helixtrans-59.1-36.8179.6-173.665.9000111.1I8 F226 F228 N316 F317 L318I8-L314 HydrophobicContact CD1-CB 4.41Å; I8-L314 HydrophobicContact CD1-CD2 4.48Å; F226-L314 HydrophobicContact CB-CD2 4.39Å; F228-L314 HydrophobicContact CB-CD1 4.39Å; F228-L314 HydrophobicContact CB-CD2 4.27Å; L314-N316 PolarHBondContact O-N 3.09Å; L314-F317 HydrophobicContact CD1-CD1 4.03Å; L314-F317 WeakPolarHBondContact O-CB 3.28Å; L314-F317 PolarHBondContact O-N 2.81Å; L314-L318 HydrophobicContact CD1-CG 4.39Å; L314-L318 HydrophobicContact CG-CD1 4.32Å; L314-L318 HydrophobicContact CG-CG 4.23Å; L314-L318 WeakPolarHBondContact O-CB 3.4Å; L314-L318 VanDerWaalsContact O-CG 3.31Å; L314-L318 WeakPolarHBondContact O-CG 3.38Å; L314-L318 PolarHBondContact O-N 3.22Å
315D82.1Confident77Confident46 Ų4640.8 Ų40.825%0.24624%0.236CC..Hα-helixtrans-58.4-45.8175.761.3-82000113.1F226 S313 F317 L318 S319F226-D315 VanDerWaalsContact CD1-CA 3.48Å; F226-D315 HydrophobicContact CD1-CB 3.56Å; F226-D315 HydrophobicContact CD2-CB 3.5Å; F226-D315 HydrophobicContact CE1-CB 3.38Å; F226-D315 HydrophobicContact CE2-CB 3.32Å; F226-D315 HydrophobicContact CG-CB 3.62Å; F226-D315 HydrophobicContact CZ-CB 3.26Å; S313-D315 WeakPolarHBondContact CB-OD1 3.46Å; S313-D315 PolarHBondContact O-N 2.85Å; S313-D315 PolarHBondContact OG-OD1 3.15Å; S313-D315 PolarHBondContact OG-OD2 2.59Å; D315-F317 VanDerWaalsContact C-N 3.33Å; D315-L318 PolarHBondContact O-N 2.96Å; D315-S319 WeakPolarHBondContact O-CB 3.43Å; D315-S319 PolarHBondContact O-N 3.25Å; D315-S319 PolarHBondContact O-OG 3.14Å
316N81.1Confident76.2Confident67 Ų6742.9 Ų42.936%0.35826%0.257SS..Hα-helixtrans-70.8-33.2179.3-17058.3000111.4M312 S313 L314 S319 V320M312-N316 HydrophobicContact CB-CB 4.18Å; S313-N316 PolarHBondContact O-N 2.88Å; L314-N316 PolarHBondContact O-N 3.09Å; N316-S319 WeakPolarHBondContact CA-OG 3.46Å; N316-S319 PolarHBondContact O-OG 3.46Å; N316-S319 VanDerWaalsContact O-OG 3.06Å; N316-V320 WeakPolarHBondContact O-CB 3.32Å; N316-V320 WeakPolarHBondContact O-CG2 3.48Å; N316-V320 PolarHBondContact O-N 3.1Å
317F77.4Confident75.9Confident3 Ų343.1 Ų43.11%0.01326%0.256CS..Hα-helixtrans-63.6-45.3171173.5-104.7000111.6V299 P302 M312 S313 L314 D315 T321 M377V299-F317 HydrophobicContact CG1-CZ 4.23Å; P302-F317 HydrophobicContact CG-CD2 4.41Å; M312-F317 HydrophobicContact CG-CB 4.15Å; M312-F317 HydrophobicContact SD-CB 3.99Å; M312-F317 HydrophobicContact SD-CD2 4.4Å; S313-F317 PolarHBondContact O-N 3.08Å; L314-F317 HydrophobicContact CD1-CD1 4.03Å; L314-F317 WeakPolarHBondContact O-CB 3.28Å; L314-F317 PolarHBondContact O-N 2.81Å; D315-F317 VanDerWaalsContact C-N 3.33Å; F317-T321 HydrophobicContact CD2-CG2 4.27Å; F317-T321 HydrophobicContact CE1-CG2 4.35Å; F317-T321 HydrophobicContact CE2-CG2 3.84Å; F317-T321 HydrophobicContact CZ-CG2 3.89Å; F317-T321 WeakPolarHBondContact O-CB 3.09Å; F317-T321 WeakPolarHBondContact O-CG2 3.13Å; F317-T321 PolarHBondContact O-N 2.73Å; F317-T321 PolarHBondContact O-OG1 3.32Å; F317-M377 HydrophobicContact CE2-CE 4.07Å
318L79.6Confident76.3Confident0 Ų040 Ų400%024%0.239CC..Hα-helixtrans-68.6-35.4179.2-68.1-168.5000113F226 C270 L314 D315 T321 C322 F323F226-L318 HydrophobicContact CB-CD1 3.97Å; F226-L318 HydrophobicContact CD1-CD1 4.21Å; C270-L318 HydrophobicContact CB-CD2 4.2Å; C270-L318 WeakPolarHBondContact SG-CD2 3.22Å; L314-L318 HydrophobicContact CD1-CG 4.39Å; L314-L318 HydrophobicContact CG-CD1 4.32Å; L314-L318 HydrophobicContact CG-CG 4.23Å; L314-L318 WeakPolarHBondContact O-CB 3.4Å; L314-L318 VanDerWaalsContact O-CG 3.31Å; L314-L318 WeakPolarHBondContact O-CG 3.38Å; L314-L318 PolarHBondContact O-N 3.22Å; D315-L318 PolarHBondContact O-N 2.96Å; L318-T321 VanDerWaalsContact CA-OG1 3.28Å; L318-T321 WeakPolarHBondContact CA-OG1 3.37Å; L318-T321 PolarHBondContact O-OG1 2.9Å; L318-T321 VanDerWaalsContact O-OG1 3.11Å; L318-C322 PolarHBondContact O-N 3.34Å; L318-F323 HydrophobicContact CB-CE2 3.98Å; L318-F323 HydrophobicContact CB-CZ 4.01Å; L318-F323 PolarHBondContact O-N 3.17Å
319S76.3Confident76.9Confident46 Ų4632.7 Ų32.732%0.32221%0.205SC..Hα-helixtrans-70.2-38.5178.568.80000113.3D315 N316D315-S319 WeakPolarHBondContact O-CB 3.43Å; D315-S319 PolarHBondContact O-N 3.25Å; D315-S319 PolarHBondContact O-OG 3.14Å; N316-S319 WeakPolarHBondContact CA-OG 3.46Å; N316-S319 PolarHBondContact O-OG 3.46Å; N316-S319 VanDerWaalsContact O-OG 3.06Å
320V66.9Low77.4Confident47 Ų4729.5 Ų29.529%0.28519%0.193SC..Hα-helixtrans-75.6-28.3177.2176.60000112N316N316-V320 WeakPolarHBondContact O-CB 3.32Å; N316-V320 WeakPolarHBondContact O-CG2 3.48Å; N316-V320 PolarHBondContact O-N 3.1Å
321T66.3Low78Confident2 Ų227.1 Ų27.11%0.01217%0.168CC..Hα-helixtrans-81.5-71.8174.147.90000110.9F317 L318 Q375 I464F317-T321 HydrophobicContact CD2-CG2 4.27Å; F317-T321 HydrophobicContact CE1-CG2 4.35Å; F317-T321 HydrophobicContact CE2-CG2 3.84Å; F317-T321 HydrophobicContact CZ-CG2 3.89Å; F317-T321 WeakPolarHBondContact O-CB 3.09Å; F317-T321 WeakPolarHBondContact O-CG2 3.13Å; F317-T321 PolarHBondContact O-N 2.73Å; F317-T321 PolarHBondContact O-OG1 3.32Å; L318-T321 VanDerWaalsContact CA-OG1 3.28Å; L318-T321 WeakPolarHBondContact CA-OG1 3.37Å; L318-T321 PolarHBondContact O-OG1 2.9Å; L318-T321 VanDerWaalsContact O-OG1 3.11Å; T321-Q375 HydrophobicContact CG2-CG 4.47Å; T321-I464 VanDerWaalsContact C-CD1 3.48Å; T321-I464 WeakPolarHBondContact O-CD1 3.22Å
322C66.7Low78.5Confident1 Ų126.7 Ų26.71%0.00716%0.164CC..THydrogen-bonded Turntrans-97.1-44.6-154.1-60.10000113.8C270 L318 A324 Q325 G326 R327C270-C322 HydrophobicContact CB-CB 4.1Å; C270-C322 WeakPolarHBondContact CB-SG 3.35Å; L318-C322 PolarHBondContact O-N 3.34Å; C322-A324 VanDerWaalsContact C-N 3.32Å; C322-A324 PolarHBondContact O-N 3.46Å; C322-Q325 PolarHBondContact O-N 3.18Å; C322-Q325 VanDerWaalsContact O-N 3.09Å; C322-G326 PolarHBondContact O-N 3.22Å; C322-R327 VanDerWaalsContact CB-O 3.29Å; C322-R327 WeakPolarHBondContact CB-O 3.41Å
323F62.1Low78.9Confident76 Ų7625.2 Ų25.233%0.33316%0.156SC..G310 helixtrans-68.4-30.2-168.5-58-35.8000113.4F226 H268 L318 Q325F226-F323 HydrophobicContact CD1-CE2 4.32Å; F226-F323 HydrophobicContact CD1-CZ 4.42Å; F226-F323 HydrophobicContact CE1-CE2 4.02Å; F226-F323 HydrophobicContact CE1-CZ 4.44Å; H268-F323 VanDerWaalsContact CA-CZ 3.47Å; H268-F323 HydrophobicContact CB-CZ 3.85Å; L318-F323 HydrophobicContact CB-CE2 3.98Å; L318-F323 HydrophobicContact CB-CZ 4.01Å; L318-F323 PolarHBondContact O-N 3.17Å; F323-Q325 PolarHBondContact O-N 3.23Å
324A58.5Low79.5Confident79 Ų7924 Ų2465%0.65315%0.148SC*.G310 helixtrans-63.2-26.6175.700000112.9C322C322-A324 VanDerWaalsContact C-N 3.32Å; C322-A324 PolarHBondContact O-N 3.46Å
325Q64.3Low80.1Confident45 Ų4523.7 Ų23.721%0.2115%0.146CC..G310 helixtrans-106.4-5.9-172.2-58.4-60.7-20.300113.9C322 F323 R327 L372 C373 E420 I464C322-Q325 PolarHBondContact O-N 3.18Å; C322-Q325 VanDerWaalsContact O-N 3.09Å; F323-Q325 PolarHBondContact O-N 3.23Å; Q325-R327 PolarHBondContact O-N 3.5Å; Q325-L372 HydrophobicContact CB-CD1 4.41Å; Q325-L372 HydrophobicContact CG-CB 4.31Å; Q325-L372 PolarHBondContact NE2-O 3.02Å; Q325-C373 HydrophobicContact CG-CB 4.28Å; Q325-E420 PolarHBondContact NE2-OE1 3.02Å; Q325-I464 HydrophobicContact CB-CG2 4.34Å; Q325-I464 HydrophobicContact CG-CD1 4.24Å
326G72.7Confident80.7Confident44 Ų4421.7 Ų21.745%0.45414%0.136SC..THydrogen-bonded Turntrans6520-176.500000114.2C322C322-G326 PolarHBondContact O-N 3.22Å
327R80.6Confident81.2Confident14 Ų1419.3 Ų19.35%0.05312%0.123CC..  trans-118.4141.4179.7-63.3-60.1171.1-150.2-11.2111.3C322 Q325 L372 I464 S513 Q517C322-R327 VanDerWaalsContact CB-O 3.29Å; C322-R327 WeakPolarHBondContact CB-O 3.41Å; Q325-R327 PolarHBondContact O-N 3.5Å; R327-L372 HydrophobicContact CG-CD1 3.72Å; R327-I464 HydrophobicContact CB-CG2 3.56Å; R327-I464 HydrophobicContact CG-CG2 3.94Å; R327-S513 PolarHBondContact NH1-O 3.44Å; R327-Q517 VanDerWaalsContact NH2-OE1 3.12Å
328K89.9Confident81.7Confident23 Ų2320.1 Ų20.110%0.113%0.129CC..  trans-104.9-31.1178.2-61.1-179.8159.6-169.80113.2L260 Y262 L266 A269 C270 W271L260-K328 VanDerWaalsContact O-CD 3.3Å; L260-K328 WeakPolarHBondContact O-CD 3.23Å; L260-K328 PolarHBondContact O-NZ 2.56Å; Y262-K328 PolarHBondContact O-NZ 2.85Å; L266-K328 WeakPolarHBondContact O-CE 3.18Å; L266-K328 PolarHBondContact O-NZ 3.01Å; A269-K328 WeakPolarHBondContact O-CG 3.18Å; C270-K328 CarbonylContact C-O 3.57Å; C270-K328 VanDerWaalsContact CA-O 3.32Å; C270-K328 WeakPolarHBondContact CA-O 3.09Å; C270-K328 VanDerWaalsContact CB-O 3.26Å; C270-K328 WeakPolarHBondContact CB-O 3.43Å; W271-K328 PolarHBondContact N-O 3.38Å
329M92.8Very high81.4Confident1 Ų126.7 Ų26.71%0.00516%0.164CC..BIsolated β-bridgetrans-68.4135.3175-174.1167.653.200111.9E261 W271 P465 E471 L475 Y514E261-M329 PolarHBondContact OE1-N 3.02Å; W271-M329 HydrophobicContact CD2-CB 4.27Å; W271-M329 HydrophobicContact CD2-CG 4.37Å; W271-M329 HydrophobicContact CE3-CG 4.2Å; W271-M329 HydrophobicContact CH2-CB 3.81Å; W271-M329 HydrophobicContact CH2-CG 3.44Å; W271-M329 VanDerWaalsContact CH2-CG 3.44Å; W271-M329 HydrophobicContact CH2-SD 3.22Å; W271-M329 WeakPolarHBondContact CH2-SD 3.41Å; W271-M329 HydrophobicContact CZ2-CB 3.39Å; W271-M329 HydrophobicContact CZ2-CG 3.62Å; W271-M329 HydrophobicContact CZ2-SD 3.8Å; W271-M329 HydrophobicContact CZ3-CB 4.39Å; W271-M329 HydrophobicContact CZ3-CG 3.74Å; W271-M329 HydrophobicContact CZ3-SD 3.81Å; M329-P465 HydrophobicContact CB-CG 4.45Å; M329-P465 HydrophobicContact CE-CB 4.35Å; M329-P465 HydrophobicContact CE-CG 3.57Å; M329-P465 HydrophobicContact CG-CG 4.2Å; M329-P465 WeakPolarHBondContact O-CD 3.41Å; M329-E471 HydrophobicContact CE-CB 3.45Å; M329-E471 VanDerWaalsContact CE-CB 3.45Å; M329-E471 HydrophobicContact CE-CG 4.25Å; M329-E471 HydrophobicContact SD-CB 4.11Å; M329-L475 HydrophobicContact CE-CD1 4.13Å; M329-L475 HydrophobicContact SD-CD1 4.31Å; M329-Y514 HydrophobicContact CE-CE1 4.44Å
330L93.1Very high80.8Confident1 Ų126 Ų261%0.00516%0.164CC..  trans-113.4156.1169.4-59.4-179.1000110.8F228 W271 L272 P273 V462 I464F228-L330 HydrophobicContact CE2-CD1 4.18Å; W271-L330 PolarHBondContact O-N 2.88Å; L272-L330 HydrophobicContact CB-CB 4.31Å; L272-L330 HydrophobicContact CD1-CB 3.67Å; P273-L330 WeakPolarHBondContact CD-O 3.36Å; L330-V462 HydrophobicContact CB-CG1 4.13Å; L330-V462 HydrophobicContact CD1-CG1 4.05Å; L330-V462 HydrophobicContact CD2-CG1 4.27Å; L330-V462 HydrophobicContact CG-CG1 4.4Å; L330-I464 HydrophobicContact CD2-CD1 4.22Å; L330-I464 HydrophobicContact CD2-CG1 3.8Å
331T94.2Very high80.4Confident2 Ų226.2 Ų26.21%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-125.4129.7169.9-72.10000109.6N352 V462 D463 E471T331-N352 HydrophobicContact CG2-CB 3.89Å; T331-N352 PolarHBondContact OG1-ND2 2.84Å; T331-V462 CarbonylContact O-C 3.57Å; T331-V462 WeakPolarHBondContact O-CA 3.32Å; T331-D463 PolarHBondContact N-O 3.01Å; T331-D463 PolarHBondContact O-N 2.83Å; T331-E471 WeakPolarHBondContact CB-OE1 3.08Å; T331-E471 WeakPolarHBondContact CG2-OE1 3.45Å; T331-E471 PolarHBondContact OG1-OE1 2.95Å
332V94.9Very high80.1Confident0 Ų032 Ų320%020%0.197CC..EExtended strand (participates in β ladder)trans-109.6128.3175.767.30000111.9L272 I274 V295 V299 L351 C460 V461 V462L272-V332 HydrophobicContact CD1-CB 3.83Å; L272-V332 HydrophobicContact CD1-CG1 3.87Å; L272-V332 HydrophobicContact CD2-CB 4.34Å; L272-V332 HydrophobicContact CD2-CG1 4.16Å; L272-V332 HydrophobicContact CG-CG1 4.29Å; I274-V332 HydrophobicContact CG2-CG1 4.19Å; V295-V332 HydrophobicContact CG1-CG1 3.95Å; V295-V332 HydrophobicContact CG1-CG2 4.01Å; V299-V332 HydrophobicContact CG2-CG2 4.26Å; V332-L351 HydrophobicContact CG1-CB 3.94Å; V332-L351 HydrophobicContact CG1-CD1 4.09Å; V332-L351 HydrophobicContact CG1-CG 4.34Å; V332-L351 PolarHBondContact O-N 2.64Å; V332-L351 VanDerWaalsContact O-N 3.08Å; V332-C460 HydrophobicContact CG2-CB 4Å; V332-V461 WeakPolarHBondContact CA-O 3.47Å; V332-V462 HydrophobicContact CG2-CG2 4.19Å
333Q94.2Very high79.9Confident1 Ų138.1 Ų38.11%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-106.6128.6163.9-54.4-170.4-8.200108.2Y349 N350 F394 I411 D412 C460 V461Q333-Y349 CarbonylContact C-O 3.58Å; Q333-Y349 WeakPolarHBondContact CA-O 3.25Å; Q333-N350 HydrophobicContact CG-CB 4.31Å; Q333-N350 PolarHBondContact NE2-ND2 2.84Å; Q333-F394 VanDerWaalsContact OE1-CE1 3.25Å; Q333-I411 HydrophobicContact CB-CD1 3.93Å; Q333-I411 HydrophobicContact CG-CD1 4.18Å; Q333-D412 PolarHBondContact NE2-O 3.29Å; Q333-C460 CarbonylContact O-C 3.44Å; Q333-C460 WeakPolarHBondContact O-CA 3.16Å; Q333-V461 HydrophobicContact CB-CB 4.36Å; Q333-V461 PolarHBondContact N-O 3.47Å; Q333-V461 PolarHBondContact O-N 2.85Å
334T94.9Very high80.3Confident0 Ų038 Ų380%023%0.233CC..EExtended strand (participates in β ladder)trans-126.8130.8-175.2-172.40000112V295 W348 Y349 L351 M458 S459V295-T334 HydrophobicContact CG2-CG2 3.84Å; T334-W348 VanDerWaalsContact C-CE3 3.4Å; T334-W348 CarbonylContact O-C 3.4Å; T334-W348 WeakPolarHBondContact O-CA 3.27Å; T334-Y349 PolarHBondContact N-O 2.93Å; T334-Y349 PolarHBondContact O-N 2.91Å; T334-L351 HydrophobicContact CG2-CD1 3.86Å; T334-L351 HydrophobicContact CG2-CG 4.13Å; T334-M458 WeakPolarHBondContact OG1-CG 2.9Å; T334-S459 CarbonylContact C-O 3.48Å; T334-S459 WeakPolarHBondContact CA-O 3.31Å; T334-S459 PolarHBondContact OG1-O 3.3Å; T334-S459 VanDerWaalsContact OG1-O 3.07Å
335G93.6Very high81.4Confident0 Ų038.9 Ų38.90%022%0.224CC..EExtended strand (participates in β ladder)trans-98.7120.4167.300000109.1S347 W348 M458 S459G335-S347 WeakPolarHBondContact CA-O 3.23Å; G335-W348 VanDerWaalsContact CA-CD2 3.43Å; G335-M458 CarbonylContact O-C 3.44Å; G335-M458 WeakPolarHBondContact O-CA 3.04Å; G335-S459 PolarHBondContact N-O 3.37Å; G335-S459 PolarHBondContact O-N 3.5Å
336V93.7Very high82.6Confident4 Ų437 Ų372%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-125.3140.7-174.1630000112.1V291 C338 S347 Y349 T456 M458V291-V336 HydrophobicContact CG1-CG1 4.33Å; V291-V336 HydrophobicContact CG1-CG2 4.28Å; V291-V336 HydrophobicContact CG2-CG2 4.45Å; V336-C338 WeakPolarHBondContact CG2-SG 3.43Å; V336-S347 PolarHBondContact N-O 2.87Å; V336-S347 PolarHBondContact O-N 3.25Å; V336-Y349 HydrophobicContact CG1-CD2 3.88Å; V336-Y349 HydrophobicContact CG1-CE2 3.49Å; V336-Y349 VanDerWaalsContact CG1-CE2 3.49Å; V336-T456 HydrophobicContact CG2-CG2 3.66Å; V336-M458 HydrophobicContact CB-CE 4.03Å; V336-M458 HydrophobicContact CG2-CE 3.75Å
337N91.9Very high83.4Confident17 Ų1737.2 Ų37.29%0.09121%0.209CC..EExtended strand (participates in β ladder)trans-133.2115.1167.7-177.8-34.5000110.4N339 G340 M341 H345 L346 H457N337-N339 PolarHBondContact OD1-N 3.22Å; N337-G340 PolarHBondContact ND2-O 3.47Å; N337-G340 PolarHBondContact OD1-N 3.21Å; N337-G340 PolarHBondContact OD1-O 3.12Å; N337-M341 HydrophobicContact CB-SD 4.06Å; N337-H345 PolarHBondContact ND2-O 3.27Å; N337-H345 VanDerWaalsContact ND2-O 3.08Å; N337-L346 HydrophobicContact CB-CD2 3.85Å; N337-H457 HydrophobicContact CB-CB 4.47Å; N337-H457 PolarHBondContact N-O 2.91Å; N337-H457 PolarHBondContact O-N 2.75Å; N337-H457 PolarHBondContact O-ND1 3.22Å
338C87.5Confident84Confident19 Ų1937.3 Ų37.313%0.12821%0.21CC..  trans-112.4-7.6-179.4-58.30000114.8V336 Y453 T456V336-C338 WeakPolarHBondContact CG2-SG 3.43Å; C338-Y453 HydrophobicContact CB-CD1 3.31Å; C338-Y453 HydrophobicContact CB-CD2 3.67Å; C338-Y453 HydrophobicContact CB-CE1 3.42Å; C338-Y453 VanDerWaalsContact CB-CE1 3.42Å; C338-Y453 HydrophobicContact CB-CE2 3.81Å; C338-Y453 HydrophobicContact CB-CG 3.4Å; C338-Y453 VanDerWaalsContact CB-CG 3.4Å; C338-Y453 WeakPolarHBondContact SG-CD2 2.81Å; C338-T456 PolarHBondContact SG-OG1 2.82Å
339N73.3Confident84.2Confident139 Ų13936.5 Ų36.574%0.74321%0.206SC*.SBendtrans-98.410.5-175.2-67-21.4000112.8N337N337-N339 PolarHBondContact OD1-N 3.22Å
340G65.3Low84.2Confident32 Ų3236.7 Ų36.733%0.3321%0.207SC..  trans87148.8-16800000111.4N337 V342N337-G340 PolarHBondContact ND2-O 3.47Å; N337-G340 PolarHBondContact OD1-N 3.21Å; N337-G340 PolarHBondContact OD1-O 3.12Å; G340-V342 PolarHBondContact O-N 2.84Å
341M58.7Low84.4Confident51 Ų5136.7 Ų36.725%0.25121%0.207SC..SBendtrans-7647.2-177-68.1-72.3-71.900112N337 D343 L386 H457N337-M341 HydrophobicContact CB-SD 4.06Å; M341-D343 PolarHBondContact O-N 3.17Å; M341-L386 HydrophobicContact CE-CD2 4.07Å; M341-H457 HydrophobicContact SD-CB 4.18Å
342V59Low84.5Confident122 Ų12236.6 Ų36.674%0.73921%0.206SC*.SBendtrans-62.4-31.8-179.5-178.90000110.5G340G340-V342 PolarHBondContact O-N 2.84Å
343D61.9Low84.5Confident131 Ų13136.7 Ų36.770%0.70121%0.207SC*.SBendtrans-120.96.1-171.4-57.9-41.2000115.2M341 H345M341-D343 PolarHBondContact O-N 3.17Å; D343-H345 HydrophobicContact CB-CB 4.14Å; D343-H345 PolarHBondContact O-N 3.3Å
344N71Confident84.5Confident74 Ų7436.7 Ų36.740%0.39621%0.207SC..SBendtrans48.721.3-169.9-68.3-33.6000114.3Q383N344-Q383 PolarHBondContact ND2-OE1 2.86Å; N344-Q383 PolarHBondContact OD1-OE1 3.49Å
345H81.7Confident84.3Confident97 Ų9737 Ų3745%0.44921%0.208SC..  trans-97.8138.5-178.3-171.6-84.5000109.9N337 D343N337-H345 PolarHBondContact ND2-O 3.27Å; N337-H345 VanDerWaalsContact ND2-O 3.08Å; D343-H345 HydrophobicContact CB-CB 4.14Å; D343-H345 PolarHBondContact O-N 3.3Å
346L89.2Confident83.8Confident5 Ų539.9 Ų39.93%0.02622%0.224CC..  trans-111129.4170.5-62.6179.6000108.1N337 W348 I381 L386 I390N337-L346 HydrophobicContact CB-CD2 3.85Å; L346-W348 HydrophobicContact CD1-CZ2 4.04Å; L346-I381 HydrophobicContact CD1-CD1 3.86Å; L346-L386 HydrophobicContact CG-CD2 4.45Å; L346-I390 HydrophobicContact CD1-CD1 3.79Å
347S91Very high83.2Confident48 Ų4843.7 Ų43.734%0.33624%0.241SC..EExtended strand (participates in β ladder)trans-80.3121.4168.5-60.80000108.4G335 V336 Y349G335-S347 WeakPolarHBondContact CA-O 3.23Å; V336-S347 PolarHBondContact N-O 2.87Å; V336-S347 PolarHBondContact O-N 3.25Å; S347-Y349 WeakPolarHBondContact CB-OH 3.49Å; S347-Y349 WeakPolarHBondContact O-CD2 3.47Å; S347-Y349 WeakPolarHBondContact O-CE2 3.32Å
348W92Very high82.6Confident17 Ų1742.9 Ų42.96%0.06424%0.237CC..EExtended strand (participates in β ladder)trans-99.5140.3-175-72.985.2000112.8T334 G335 L346 I390 F394 I409 I411 V461T334-W348 VanDerWaalsContact C-CE3 3.4Å; T334-W348 CarbonylContact O-C 3.4Å; T334-W348 WeakPolarHBondContact O-CA 3.27Å; G335-W348 VanDerWaalsContact CA-CD2 3.43Å; L346-W348 HydrophobicContact CD1-CZ2 4.04Å; W348-I390 HydrophobicContact CH2-CD1 4.49Å; W348-I390 HydrophobicContact CH2-CG2 3.93Å; W348-I390 HydrophobicContact CZ2-CD1 3.91Å; W348-I390 HydrophobicContact CZ2-CG1 3.9Å; W348-I390 HydrophobicContact CZ2-CG2 4.11Å; W348-F394 HydrophobicContact CE3-CE2 4.38Å; W348-F394 HydrophobicContact CE3-CZ 4.12Å; W348-F394 AromaticContact CH2-CE2 3.64Å; W348-F394 HydrophobicContact CH2-CE2 3.64Å; W348-F394 HydrophobicContact CH2-CZ 4.11Å; W348-F394 HydrophobicContact CZ2-CE2 4.12Å; W348-F394 AromaticContact CZ3-CE2 3.79Å; W348-F394 HydrophobicContact CZ3-CE2 3.79Å; W348-F394 AromaticContact CZ3-CZ 3.74Å; W348-F394 HydrophobicContact CZ3-CZ 3.74Å; W348-I409 HydrophobicContact CB-CG2 4.17Å; W348-I409 VanDerWaalsContact CB-O 3.28Å; W348-I409 WeakPolarHBondContact CB-O 3.19Å; W348-I409 HydrophobicContact CD2-CG2 4.08Å; W348-I409 HydrophobicContact CG-CB 4.47Å; W348-I409 HydrophobicContact CG-CG2 3.83Å; W348-I411 HydrophobicContact CB-CD1 4.03Å; W348-I411 HydrophobicContact CB-CG1 4.07Å; W348-I411 HydrophobicContact CB-CG2 4.3Å; W348-I411 HydrophobicContact CE3-CD1 4.27Å; W348-V461 HydrophobicContact CH2-CG2 4.16Å; W348-V461 HydrophobicContact CZ3-CG2 4Å
349Y93.9Very high82.4Confident6 Ų644.4 Ų44.42%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-137.3141.3179.8-52.9-81.9000109.9Q278 L279 Y280 D281 Q333 T334 V336 S347Q278-Y349 WeakPolarHBondContact O-CD1 3.26Å; L279-Y349 HydrophobicContact CD2-CD1 4.22Å; L279-Y349 HydrophobicContact CD2-CD2 3.72Å; L279-Y349 HydrophobicContact CD2-CE2 4.07Å; L279-Y349 HydrophobicContact CD2-CG 3.8Å; Y280-Y349 HydrophobicContact CE1-CD1 4.33Å; Y280-Y349 HydrophobicContact CE1-CE1 4.18Å; Y280-Y349 HydrophobicContact CE2-CE1 4.4Å; D281-Y349 WeakPolarHBondContact CB-OH 3.4Å; D281-Y349 PolarHBondContact OD2-OH 3.31Å; Q333-Y349 CarbonylContact C-O 3.58Å; Q333-Y349 WeakPolarHBondContact CA-O 3.25Å; T334-Y349 PolarHBondContact N-O 2.93Å; T334-Y349 PolarHBondContact O-N 2.91Å; V336-Y349 HydrophobicContact CG1-CD2 3.88Å; V336-Y349 HydrophobicContact CG1-CE2 3.49Å; V336-Y349 VanDerWaalsContact CG1-CE2 3.49Å; S347-Y349 WeakPolarHBondContact CB-OH 3.49Å; S347-Y349 WeakPolarHBondContact O-CD2 3.47Å; S347-Y349 WeakPolarHBondContact O-CE2 3.32Å
350N94.2Very high82.9Confident5 Ų541.2 Ų41.23%0.02723%0.227CC..EExtended strand (participates in β ladder)trans-96.2124.7161.7-172.7-46.3000107.7Q278 Q333 N352 Y355Q278-N350 WeakPolarHBondContact CB-O 3.43Å; Q278-N350 VanDerWaalsContact CG-O 3.3Å; Q278-N350 WeakPolarHBondContact CG-O 3.31Å; Q333-N350 HydrophobicContact CG-CB 4.31Å; Q333-N350 PolarHBondContact NE2-ND2 2.84Å; N350-N352 PolarHBondContact OD1-N 3.05Å; N350-Y355 HydrophobicContact CB-CD1 4.08Å; N350-Y355 HydrophobicContact CB-CE1 4.42Å; N350-Y355 WeakPolarHBondContact ND2-CD1 3.46Å; N350-Y355 WeakPolarHBondContact ND2-CD2 3.29Å; N350-Y355 VanDerWaalsContact ND2-CE1 3.32Å; N350-Y355 WeakPolarHBondContact ND2-CE1 3.29Å
351L96.2Very high83.5Confident0 Ų041.4 Ų41.40%022%0.22CC..  trans-97.7-5.4-173.3-58.9-177.4000113.7I274 D275 Q278 L279 L292 V295 V332 T334I274-L351 CarbonylContact C-O 3.48Å; I274-L351 WeakPolarHBondContact CA-O 3.03Å; I274-L351 HydrophobicContact CB-CB 4.42Å; I274-L351 HydrophobicContact CG2-CB 4.27Å; I274-L351 HydrophobicContact CG2-CD1 4.43Å; D275-L351 PolarHBondContact N-O 3.1Å; Q278-L351 HydrophobicContact CB-CD2 4.05Å; L279-L351 HydrophobicContact CD2-CD2 4.13Å; L279-L351 HydrophobicContact CG-CD2 4.16Å; L292-L351 HydrophobicContact CD2-CD1 3.74Å; L292-L351 HydrophobicContact CD2-CD2 4.27Å; V295-L351 HydrophobicContact CB-CD1 4.32Å; V295-L351 HydrophobicContact CG1-CD1 4.12Å; V295-L351 HydrophobicContact CG2-CD1 3.77Å; V332-L351 HydrophobicContact CG1-CB 3.94Å; V332-L351 HydrophobicContact CG1-CD1 4.09Å; V332-L351 HydrophobicContact CG1-CG 4.34Å; V332-L351 PolarHBondContact O-N 2.64Å; V332-L351 VanDerWaalsContact O-N 3.08Å; T334-L351 HydrophobicContact CG2-CD1 3.86Å; T334-L351 HydrophobicContact CG2-CG 4.13Å
352N95.8Very high84.5Confident0 Ų043.4 Ų43.40%025%0.245CC..  trans-75.6120.4179-171.9-38.1000109.8P273 T331 N350 Y354 Y355 E471P273-N352 HydrophobicContact CG-CB 4.44Å; P273-N352 WeakPolarHBondContact CG-ND2 3.18Å; T331-N352 HydrophobicContact CG2-CB 3.89Å; T331-N352 PolarHBondContact OG1-ND2 2.84Å; N350-N352 PolarHBondContact OD1-N 3.05Å; N352-Y354 PolarHBondContact O-N 3.22Å; N352-Y354 VanDerWaalsContact O-N 3.14Å; N352-Y354 WeakPolarHBondContact OD1-CB 3.22Å; N352-Y354 VanDerWaalsContact OD1-CD2 3.29Å; N352-Y354 WeakPolarHBondContact OD1-CD2 3.31Å; N352-Y354 PolarHBondContact OD1-N 3.47Å; N352-Y355 PolarHBondContact O-N 3.01Å; N352-E471 WeakPolarHBondContact ND2-CG 3.26Å
353P95.1Very high85.6Confident2 Ų241 Ų411%0.01324%0.244CC..Hα-helixtrans-60.5-24.9-178.725.7-35.2000113Y233 P273 D275 Q357Y233-P353 HydrophobicContact CD1-CB 4.34Å; Y233-P353 HydrophobicContact CD1-CG 4.05Å; Y233-P353 HydrophobicContact CD2-CG 3.74Å; Y233-P353 HydrophobicContact CE1-CG 4.1Å; Y233-P353 HydrophobicContact CE2-CG 3.81Å; Y233-P353 HydrophobicContact CG-CB 4.25Å; Y233-P353 HydrophobicContact CG-CG 3.89Å; P273-P353 HydrophobicContact CB-CG 4.25Å; D275-P353 HydrophobicContact CB-CB 4.05Å; P353-Q357 VanDerWaalsContact O-CD 3.29Å; P353-Q357 VanDerWaalsContact O-CG 3.25Å; P353-Q357 WeakPolarHBondContact O-CG 3Å
354Y93.9Very high86.7Confident2 Ų242.3 Ų42.31%0.00824%0.244CC..Hα-helixtrans-88.2-19.9-175.8-51.3-58.6000113.2Y233 L257 W271 N352 G358 M474 L475 L478Y233-Y354 WeakPolarHBondContact CE1-OH 3.49Å; Y233-Y354 PolarHBondContact OH-OH 3.01Å; L257-Y354 HydrophobicContact CD1-CE2 3.99Å; L257-Y354 WeakPolarHBondContact CD1-OH 3.48Å; W271-Y354 HydrophobicContact CZ3-CE2 4.46Å; N352-Y354 PolarHBondContact O-N 3.22Å; N352-Y354 VanDerWaalsContact O-N 3.14Å; N352-Y354 WeakPolarHBondContact OD1-CB 3.22Å; N352-Y354 VanDerWaalsContact OD1-CD2 3.29Å; N352-Y354 WeakPolarHBondContact OD1-CD2 3.31Å; N352-Y354 PolarHBondContact OD1-N 3.47Å; Y354-G358 PolarHBondContact O-N 3.09Å; Y354-M474 HydrophobicContact CD1-CG 4.16Å; Y354-L475 HydrophobicContact CD1-CD2 4.18Å; Y354-L475 HydrophobicContact CD2-CD2 4.2Å; Y354-L475 HydrophobicContact CE1-CD2 4.08Å; Y354-L475 HydrophobicContact CE2-CD2 4.09Å; Y354-L475 HydrophobicContact CG-CD2 4.25Å; Y354-L478 HydrophobicContact CD1-CD1 4.14Å; Y354-L478 HydrophobicContact CE1-CD1 3.74Å
355Y92Very high87.4Confident5 Ų545.3 Ų45.32%0.0226%0.26CS..Hα-helixtrans-67.1-61.5-176.5-176.1-96000112.1N350 N352 Q357 G358 K359 D412 Y470 E471N350-Y355 HydrophobicContact CB-CD1 4.08Å; N350-Y355 HydrophobicContact CB-CE1 4.42Å; N350-Y355 WeakPolarHBondContact ND2-CD1 3.46Å; N350-Y355 WeakPolarHBondContact ND2-CD2 3.29Å; N350-Y355 VanDerWaalsContact ND2-CE1 3.32Å; N350-Y355 WeakPolarHBondContact ND2-CE1 3.29Å; N352-Y355 PolarHBondContact O-N 3.01Å; Y355-Q357 VanDerWaalsContact C-N 3.29Å; Y355-Q357 PolarHBondContact O-N 3.27Å; Y355-G358 PolarHBondContact O-N 3.32Å; Y355-K359 PolarHBondContact O-N 2.83Å; Y355-D412 PolarHBondContact OH-O 3.11Å; Y355-Y470 AromaticContact CD2-CD2 3.93Å; Y355-Y470 HydrophobicContact CD2-CD2 3.93Å; Y355-Y470 HydrophobicContact CE1-CD2 4.35Å; Y355-Y470 AromaticContact CE2-CD2 3.66Å; Y355-Y470 HydrophobicContact CE2-CD2 3.66Å; Y355-Y470 HydrophobicContact CE2-CE2 4.31Å; Y355-Y470 HydrophobicContact CG-CD2 4.39Å; Y355-Y470 AromaticContact CZ-CD2 3.9Å; Y355-Y470 WeakPolarHBondContact O-CB 3.28Å; Y355-E471 WeakPolarHBondContact CD2-OE1 3.38Å
356N82.4Confident87.4Confident62 Ų6242 Ų4233%0.33225%0.246SC..Hα-helixtrans-67.7-31.4-177.1-76.3-32.3000112.1Q278 G358Q278-N356 PolarHBondContact OE1-ND2 3.29Å; Q278-N356 VanDerWaalsContact OE1-ND2 3.07Å; N356-G358 VanDerWaalsContact C-N 3.34Å
357Q80.5Confident86.9Confident83 Ų8346.4 Ų46.439%0.38828%0.275SS..Hα-helixtrans-71.6-29.9176.2-64.2-174.813.600112.5P353 Y355 M474P353-Q357 VanDerWaalsContact O-CD 3.29Å; P353-Q357 VanDerWaalsContact O-CG 3.25Å; P353-Q357 WeakPolarHBondContact O-CG 3Å; Y355-Q357 VanDerWaalsContact C-N 3.29Å; Y355-Q357 PolarHBondContact O-N 3.27Å; Q357-M474 HydrophobicContact CB-CE 4.35Å; Q357-M474 HydrophobicContact CB-CG 4.01Å; Q357-M474 HydrophobicContact CB-SD 3.78Å
358G79.5Confident86.2Confident0 Ų045.4 Ų45.40%027%0.268CS..Hα-helixtrans-76.1-18.4178.200000114.8Y354 Y355 N356 V360 V366 Y470Y354-G358 PolarHBondContact O-N 3.09Å; Y355-G358 PolarHBondContact O-N 3.32Å; N356-G358 VanDerWaalsContact C-N 3.34Å; G358-V360 PolarHBondContact O-N 3.19Å; G358-V366 VanDerWaalsContact O-CG2 3.25Å; G358-V366 WeakPolarHBondContact O-CG2 2.99Å; G358-Y470 WeakPolarHBondContact CA-O 3.37Å
359K84.4Confident85.6Confident51 Ų5148.3 Ų48.322%0.22228%0.282CS..THydrogen-bonded Turntrans-60-33.8178.1-73.5-177.3173.6178.40113.4Y355 N365 V366 D412 Y470Y355-K359 PolarHBondContact O-N 2.83Å; K359-N365 WeakPolarHBondContact O-CA 3.15Å; K359-V366 PolarHBondContact O-N 2.85Å; K359-D412 VanDerWaalsContact NZ-CB 3.3Å; K359-D412 IonicContact NZ-OD2 3.52Å; K359-Y470 HydrophobicContact CD-CE2 4.33Å; K359-Y470 HydrophobicContact CG-CD1 4.43Å; K359-Y470 HydrophobicContact CG-CD2 3.71Å; K359-Y470 HydrophobicContact CG-CE1 4.37Å; K359-Y470 HydrophobicContact CG-CE2 3.62Å; K359-Y470 HydrophobicContact CG-CG 4.11Å
360V83.1Confident85.1Confident73 Ų7348.5 Ų48.544%0.44229%0.285SS..EExtended strand (participates in β ladder)trans-127.7105.6179.8-174.20000109.8G358 K364G358-V360 PolarHBondContact O-N 3.19Å; V360-K364 WeakPolarHBondContact CA-O 3.38Å
361I78.9Confident84.8Confident36 Ų3648.8 Ų48.819%0.18529%0.287CS..EExtended strand (participates in β ladder)trans-114.4124.1179-64.4176.8000109G363 K364 V366 K473 K477I361-G363 PolarHBondContact O-N 3.47Å; I361-K364 PolarHBondContact N-O 3.3Å; I361-K364 PolarHBondContact O-N 2.65Å; I361-V366 HydrophobicContact CB-CG2 4.16Å; I361-V366 HydrophobicContact CD1-CG2 4.03Å; I361-V366 HydrophobicContact CG1-CG2 4.08Å; I361-K473 HydrophobicContact CD1-CB 3.42Å; I361-K473 VanDerWaalsContact CD1-CB 3.42Å; I361-K477 HydrophobicContact CG2-CD 4.18Å
362A79.3Confident84.3Confident93 Ų9350.4 Ų50.477%0.76930%0.295SS*.THydrogen-bonded Turntrans50.938.8-177.500000113.3K364A362-K364 VanDerWaalsContact C-N 3.26Å; A362-K364 PolarHBondContact O-N 3.29Å
363G82.7Confident83.8Confident70 Ų7050.5 Ų50.572%0.72230%0.296SS*.THydrogen-bonded Turntrans76.54.1-179.700000115.2I361I361-G363 PolarHBondContact O-N 3.47Å
364K84.2Confident83.5Confident160 Ų16050.4 Ų50.470%0.69630%0.296SS*.EExtended strand (participates in β ladder)trans-106.6137.3177.2-62.7-176.5180-179.30110.6V360 I361 A362V360-K364 WeakPolarHBondContact CA-O 3.38Å; I361-K364 PolarHBondContact N-O 3.3Å; I361-K364 PolarHBondContact O-N 2.65Å; A362-K364 VanDerWaalsContact C-N 3.26Å; A362-K364 PolarHBondContact O-N 3.29Å
365N85.3Confident83.2Confident137 Ų13750.6 Ų50.673%0.73330%0.297SS*.EExtended strand (participates in β ladder)trans-70.5131.1172.1-70.9-21.6000109.8K359K359-N365 WeakPolarHBondContact O-CA 3.15Å
366V81.6Confident83.1Confident27 Ų2750.5 Ų50.516%0.16430%0.296CS..PPolyproline II helixtrans-91.6133.6173.5-175.90000107.7G358 K359 I361 Y470 K473G358-V366 VanDerWaalsContact O-CG2 3.25Å; G358-V366 WeakPolarHBondContact O-CG2 2.99Å; K359-V366 PolarHBondContact O-N 2.85Å; I361-V366 HydrophobicContact CB-CG2 4.16Å; I361-V366 HydrophobicContact CD1-CG2 4.03Å; I361-V366 HydrophobicContact CG1-CG2 4.08Å; V366-Y470 HydrophobicContact CB-CD1 3.96Å; V366-Y470 HydrophobicContact CB-CE1 3.79Å; V366-Y470 HydrophobicContact CG1-CD1 3.85Å; V366-Y470 HydrophobicContact CG1-CE1 3.86Å; V366-Y470 WeakPolarHBondContact O-CE1 3.37Å; V366-Y470 PolarHBondContact O-OH 3.22Å; V366-K473 HydrophobicContact CG1-CG 4.29Å
367P79.1Confident83.5Confident98 Ų9847.7 Ų47.764%0.63628%0.281SS*.PPolyproline II helixtrans-69.4143.5173.129.2-33.7000110.5E369 Y470P367-E369 PolarHBondContact O-N 2.98Å; P367-Y470 WeakPolarHBondContact O-CE1 3.42Å
368S75.8Confident84Confident27 Ų2743.7 Ų43.719%0.18926%0.263CS..PPolyproline II helixtrans-73.7125.9172.1-176.10000108.7Y470S368-Y470 WeakPolarHBondContact CA-OH 3.32Å; S368-Y470 WeakPolarHBondContact CB-OH 3.37Å; S368-Y470 PolarHBondContact N-OH 2.91Å
369E80.5Confident84.6Confident77 Ų7744.3 Ų44.336%0.3627%0.265SS..PPolyproline II helixtrans-92.4171.3167-69.2-155-171.800112.1P367 N466 N468P367-E369 PolarHBondContact O-N 2.98Å; E369-N466 VanDerWaalsContact CB-ND2 3.28Å; E369-N466 WeakPolarHBondContact CB-ND2 3.46Å; E369-N466 PolarHBondContact OE2-ND2 3.37Å; E369-N468 HydrophobicContact CG-CB 3.97Å; E369-N468 WeakPolarHBondContact OE1-CB 3.35Å; E369-N468 PolarHBondContact OE1-ND2 3.29Å; E369-N468 VanDerWaalsContact OE1-ND2 3.14Å; E369-N468 VanDerWaalsContact OE2-CB 3.22Å; E369-N468 WeakPolarHBondContact OE2-CB 3.34Å; E369-N468 PolarHBondContact OE2-ND2 3.03Å
370A82.7Confident84.9Confident11 Ų1142 Ų429%0.09126%0.256CS..PPolyproline II helixtrans-77.7138.8-178.600000112.1V398 Y415 C417 N466A370-V398 HydrophobicContact CB-CG2 3.56Å; A370-Y415 CarbonylContact C-O 3.5Å; A370-Y415 WeakPolarHBondContact CA-O 2.84Å; A370-Y415 WeakPolarHBondContact CB-O 3.27Å; A370-C417 VanDerWaalsContact CB-SG 3.57Å; A370-N466 WeakPolarHBondContact O-CB 3.48Å; A370-N466 VanDerWaalsContact O-CG 3.31Å; A370-N466 PolarHBondContact O-ND2 2.99Å
371V87.9Confident85.1Confident10 Ų1038.7 Ų38.76%0.06124%0.236CC..BIsolated β-bridgetrans-76.1148.4174.6-630000110.6P414 Y415 L416 C417 D463V371-P414 HydrophobicContact CG1-CB 3.86Å; V371-P414 HydrophobicContact CG1-CG 3.66Å; V371-Y415 PolarHBondContact N-O 3.29Å; V371-L416 HydrophobicContact CG2-CD2 3.7Å; V371-C417 PolarHBondContact O-N 2.66Å; V371-D463 HydrophobicContact CB-CB 4.16Å; V371-D463 HydrophobicContact CG1-CB 3.88Å; V371-D463 HydrophobicContact CG2-CB 4.32Å
372L85.8Confident85.4Confident34 Ų3444.2 Ų44.218%0.17826%0.258CS..SBendtrans-78.8-20.8-176.7-63.7179000113.4Q325 R327 E420 I464 N466Q325-L372 HydrophobicContact CB-CD1 4.41Å; Q325-L372 HydrophobicContact CG-CB 4.31Å; Q325-L372 PolarHBondContact NE2-O 3.02Å; R327-L372 HydrophobicContact CG-CD1 3.72Å; L372-E420 VanDerWaalsContact O-CG 3.22Å; L372-E420 WeakPolarHBondContact O-CG 3.29Å; L372-I464 HydrophobicContact CB-CB 4.22Å; L372-I464 HydrophobicContact CB-CG2 4.09Å; L372-I464 HydrophobicContact CD1-CG2 4.25Å; L372-I464 PolarHBondContact N-O 3.2Å; L372-N466 HydrophobicContact CD1-CB 4.34Å; L372-N466 HydrophobicContact CD2-CB 3.87Å; L372-N466 HydrophobicContact CG-CB 3.78Å
373C85.7Confident85.4Confident2 Ų243.1 Ų43.11%0.01424%0.237CC..EExtended strand (participates in β ladder)trans-165.7154176.9176.50000107.8Q325 E420 D463 I464Q325-C373 HydrophobicContact CG-CB 4.28Å; C373-E420 WeakPolarHBondContact CA-OE2 3.44Å; C373-D463 CarbonylContact O-C 3.5Å; C373-D463 WeakPolarHBondContact O-CA 3.46Å; C373-I464 HydrophobicContact CB-CB 4.14Å; C373-I464 HydrophobicContact CB-CD1 3.89Å; C373-I464 HydrophobicContact CB-CG1 3.98Å; C373-I464 PolarHBondContact O-N 3.3Å
374R89.1Confident85.2Confident1 Ų143.7 Ų43.70%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-141.1135177.4174167.7-72.21582.1111.4F394 P414 L416 I422 H423 V461 V462 D463R374-F394 WeakPolarHBondContact CD-O 3.34Å; R374-F394 PolarHBondContact NH1-O 3.45Å; R374-P414 PolarHBondContact NH1-O 3.01Å; R374-P414 VanDerWaalsContact NH1-O 3.14Å; R374-P414 PolarHBondContact NH2-O 2.51Å; R374-L416 HydrophobicContact CB-CD2 3.42Å; R374-L416 VanDerWaalsContact CB-CD2 3.42Å; R374-L416 HydrophobicContact CG-CD2 4.35Å; R374-I422 HydrophobicContact CG-CG1 4.4Å; R374-I422 CarbonylContact O-C 3.48Å; R374-I422 WeakPolarHBondContact O-CA 3.46Å; R374-H423 PolarHBondContact O-N 3.43Å; R374-V461 HydrophobicContact CG-CG1 3.68Å; R374-V462 CarbonylContact C-O 3.52Å; R374-V462 WeakPolarHBondContact CA-O 3.39Å; R374-D463 VanDerWaalsContact CB-OD1 3.31Å; R374-D463 WeakPolarHBondContact CB-OD1 3.44Å; R374-D463 VanDerWaalsContact CG-OD1 3.24Å; R374-D463 WeakPolarHBondContact CG-OD1 3.48Å; R374-D463 IonicContact CZ-OD1 3.8Å; R374-D463 IonicContact CZ-OD2 3.44Å; R374-D463 IonicContact NE-OD1 3.68Å; R374-D463 PolarHBondContact NE-OD1 2.85Å; R374-D463 IonicContact NE-OD2 2.65Å; R374-D463 IonicContact NH2-OD1 3.56Å; R374-D463 PolarHBondContact NH2-OD1 2.87Å; R374-D463 IonicContact NH2-OD2 2.71Å; R374-D463 PolarHBondContact NH2-OD2 3.08Å
375Q87.9Confident84.9Confident6 Ų640.2 Ų40.23%0.02822%0.222CC..EExtended strand (participates in β ladder)trans-123.5143.6172.5-60.9-166.5100111.1T321 H423 V461 V462T321-Q375 HydrophobicContact CG2-CG 4.47Å; Q375-H423 WeakPolarHBondContact CA-O 3.41Å; Q375-H423 HydrophobicContact CG-CB 3.92Å; Q375-V461 CarbonylContact O-C 3.54Å; Q375-V461 VanDerWaalsContact O-CA 3.32Å; Q375-V461 WeakPolarHBondContact O-CA 3.4Å; Q375-V462 PolarHBondContact N-O 2.88Å; Q375-V462 PolarHBondContact O-N 3.04Å
376L88.9Confident84.8Confident3 Ų335.3 Ų35.32%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-121.2128.3-178.7176.368.9000110.3L387 I390 R391 I422 V425 Y426 S459 V461L376-L387 HydrophobicContact CD2-CD1 4.23Å; L376-I390 HydrophobicContact CD1-CG2 3.77Å; L376-I390 HydrophobicContact CD2-CG2 4.3Å; L376-R391 HydrophobicContact CD2-CB 4.38Å; L376-I422 HydrophobicContact CB-CG2 4.41Å; L376-V425 HydrophobicContact CB-CG1 4.19Å; L376-V425 HydrophobicContact CB-CG2 4.16Å; L376-V425 HydrophobicContact CD2-CG1 3.89Å; L376-V425 HydrophobicContact CG-CG1 4.12Å; L376-V425 VanDerWaalsContact O-CA 3.26Å; L376-V425 WeakPolarHBondContact O-CA 3.36Å; L376-Y426 PolarHBondContact O-N 3.07Å; L376-Y426 VanDerWaalsContact O-N 3.1Å; L376-S459 WeakPolarHBondContact CD1-OG 3.31Å; L376-V461 HydrophobicContact CD1-CG2 3.7Å
377M90.3Very high84.7Confident2 Ų235.4 Ų35.41%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-136.3131.4-172.7-51.5167.791.900108.2T298 V299 P302 F317 Y426 S459 C460 V462T298-M377 HydrophobicContact CG2-CB 4.01Å; T298-M377 WeakPolarHBondContact O-CE 3.38Å; V299-M377 WeakPolarHBondContact O-CE 3.33Å; P302-M377 HydrophobicContact CG-CE 3.36Å; F317-M377 HydrophobicContact CE2-CE 4.07Å; M377-Y426 CarbonylContact C-O 3.56Å; M377-Y426 VanDerWaalsContact CA-O 3.29Å; M377-Y426 WeakPolarHBondContact CA-O 3.5Å; M377-Y426 HydrophobicContact CB-CD1 4.49Å; M377-S459 CarbonylContact O-C 3.57Å; M377-S459 WeakPolarHBondContact O-CA 3.18Å; M377-C460 HydrophobicContact CB-CB 4.49Å; M377-C460 PolarHBondContact N-O 3.17Å; M377-C460 PolarHBondContact O-N 2.91Å; M377-V462 HydrophobicContact SD-CG2 4.22Å
378S91.9Very high84.9Confident0 Ų034.9 Ų34.90%019%0.187CC..EExtended strand (participates in β ladder)trans-140.3149.8178.8630000114.6Y426 S427 L428 M458S378-Y426 PolarHBondContact N-O 3.18Å; S378-S427 WeakPolarHBondContact OG-CB 3.12Å; S378-S427 PolarHBondContact OG-OG 3.15Å; S378-S427 VanDerWaalsContact OG-OG 3.11Å; S378-L428 PolarHBondContact O-N 3.03Å; S378-M458 CarbonylContact C-O 3.58Å; S378-M458 VanDerWaalsContact CA-O 3.26Å; S378-M458 WeakPolarHBondContact CA-O 3.19Å
379R92.1Very high85.2Confident13 Ų1335 Ų355%0.04919%0.193CC..EExtended strand (participates in β ladder)trans-134120.4-176.1-63.9-65.8-65.9-79.1-8.5109.7D297 T298 T301 I381 Y431 L433 H457 M458D297-R379 IonicContact OD1-CZ 3.34Å; D297-R379 IonicContact OD1-NH1 2.68Å; D297-R379 PolarHBondContact OD1-NH1 2.82Å; D297-R379 IonicContact OD1-NH2 2.83Å; T298-R379 HydrophobicContact CG2-CG 4Å; T301-R379 PolarHBondContact OG1-NH1 3.47Å; R379-I381 VanDerWaalsContact C-N 3.33Å; R379-I381 PolarHBondContact O-N 2.87Å; R379-Y431 PolarHBondContact NE-O 3.27Å; R379-L433 HydrophobicContact CB-CD1 4.36Å; R379-L433 HydrophobicContact CB-CG 4.08Å; R379-L433 HydrophobicContact CG-CD2 4.4Å; R379-L433 HydrophobicContact CG-CG 4.42Å; R379-H457 WeakPolarHBondContact O-CA 3.32Å; R379-M458 PolarHBondContact N-O 3.14Å; R379-M458 PolarHBondContact O-N 3.11Å
380G90Very high85.4Confident3 Ų331.6 Ų31.63%0.03118%0.177CC..SBendtrans800.6176.800000116.1K382 L428 P429 Y431 H457G380-K382 PolarHBondContact O-N 3.47Å; G380-K382 VanDerWaalsContact O-N 3.1Å; G380-L428 PolarHBondContact N-O 3.34Å; G380-P429 CarbonylContact C-O 3.24Å; G380-P429 VanDerWaalsContact C-O 3.24Å; G380-P429 WeakPolarHBondContact CA-O 3.49Å; G380-Y431 PolarHBondContact N-O 3.13Å; G380-H457 PolarHBondContact O-CD2 2.9Å
381I88.4Confident85.5Confident3 Ų336.3 Ų36.32%0.01519%0.193CC..  trans-82.993.4-177.8-58.5-178.6000109.8L346 R379 L386 I390 P429L346-I381 HydrophobicContact CD1-CD1 3.86Å; R379-I381 VanDerWaalsContact C-N 3.33Å; R379-I381 PolarHBondContact O-N 2.87Å; I381-L386 HydrophobicContact CG2-CB 4.37Å; I381-L386 HydrophobicContact CG2-CD2 3.83Å; I381-L386 HydrophobicContact CG2-CG 4.18Å; I381-I390 HydrophobicContact CD1-CD1 4.44Å; I381-P429 WeakPolarHBondContact O-CA 3.4Å; I381-P429 VanDerWaalsContact O-CB 3.29Å; I381-P429 WeakPolarHBondContact O-CB 3.45Å
382K83.4Confident85.3Confident152 Ų15241.3 Ų41.366%0.66122%0.219SC*.  trans-72-27-178.5-66.5-175.3177.9-175.30114.3G380 S384 P429G380-K382 PolarHBondContact O-N 3.47Å; G380-K382 VanDerWaalsContact O-N 3.1Å; K382-S384 PolarHBondContact O-N 3.4Å; K382-P429 HydrophobicContact CG-CB 4.42Å; K382-P429 WeakPolarHBondContact CG-O 3.21Å
383Q80.6Confident85.2Confident70 Ų7040.5 Ų40.533%0.32722%0.216SC..  trans-82.7110-172.4-167.7178.714.900111.3N344 T385 L386 L387N344-Q383 PolarHBondContact ND2-OE1 2.86Å; N344-Q383 PolarHBondContact OD1-OE1 3.49Å; Q383-T385 VanDerWaalsContact C-N 3.27Å; Q383-T385 VanDerWaalsContact CG-OG1 3.24Å; Q383-T385 WeakPolarHBondContact CG-OG1 3.4Å; Q383-T385 PolarHBondContact NE2-OG1 2.92Å; Q383-T385 PolarHBondContact O-N 2.98Å; Q383-L386 HydrophobicContact CB-CB 4.06Å; Q383-L386 HydrophobicContact CG-CB 4.33Å; Q383-L386 PolarHBondContact O-N 3.12Å; Q383-L386 VanDerWaalsContact O-N 3.15Å; Q383-L387 PolarHBondContact O-N 2.8Å
384S77.9Confident85.2Confident82 Ų8240.5 Ų40.557%0.57322%0.215SC*.Hα-helixtrans-59.8-35.717958.40000113K382 L386 L387 N388K382-S384 PolarHBondContact O-N 3.4Å; S384-L386 PolarHBondContact O-N 3.47Å; S384-L387 PolarHBondContact O-N 2.81Å; S384-N388 WeakPolarHBondContact O-CB 3.41Å; S384-N388 PolarHBondContact O-N 3.37Å; S384-N388 PolarHBondContact O-ND2 3.04Å
385T79.1Confident84.8Confident87 Ų8742.6 Ų42.653%0.53423%0.23SC..Hα-helixtrans-67-34.9177.557.40000112.6Q383 G389Q383-T385 VanDerWaalsContact C-N 3.27Å; Q383-T385 VanDerWaalsContact CG-OG1 3.24Å; Q383-T385 WeakPolarHBondContact CG-OG1 3.4Å; Q383-T385 PolarHBondContact NE2-OG1 2.92Å; Q383-T385 PolarHBondContact O-N 2.98Å; T385-G389 PolarHBondContact O-N 2.81Å
386L81.5Confident84.3Confident34 Ų3444.6 Ų44.618%0.17824%0.24CC..Hα-helixtrans-66-47.4174.7176.958.4000110.1M341 L346 I381 Q383 S384 N388 G389 I390M341-L386 HydrophobicContact CE-CD2 4.07Å; L346-L386 HydrophobicContact CG-CD2 4.45Å; I381-L386 HydrophobicContact CG2-CB 4.37Å; I381-L386 HydrophobicContact CG2-CD2 3.83Å; I381-L386 HydrophobicContact CG2-CG 4.18Å; Q383-L386 HydrophobicContact CB-CB 4.06Å; Q383-L386 HydrophobicContact CG-CB 4.33Å; Q383-L386 PolarHBondContact O-N 3.12Å; Q383-L386 VanDerWaalsContact O-N 3.15Å; S384-L386 PolarHBondContact O-N 3.47Å; L386-N388 PolarHBondContact O-N 3.28Å; L386-G389 PolarHBondContact O-N 3.05Å; L386-I390 HydrophobicContact CD1-CD1 4.25Å; L386-I390 HydrophobicContact CD1-CG1 4.39Å; L386-I390 HydrophobicContact CG-CD1 4.14Å; L386-I390 VanDerWaalsContact O-CG1 3.29Å; L386-I390 WeakPolarHBondContact O-CG1 3.26Å; L386-I390 PolarHBondContact O-N 3.46Å
387L80.3Confident83.6Confident28 Ų2846.7 Ų46.715%0.14725%0.253CS..Hα-helixtrans-62.9-41.4177.7-170.968000112.1L376 Q383 S384 G389 I390 R391L376-L387 HydrophobicContact CD2-CD1 4.23Å; Q383-L387 PolarHBondContact O-N 2.8Å; S384-L387 PolarHBondContact O-N 2.81Å; L387-G389 VanDerWaalsContact C-N 3.33Å; L387-I390 PolarHBondContact O-N 2.97Å; L387-R391 WeakPolarHBondContact O-CB 3.48Å; L387-R391 PolarHBondContact O-N 2.86Å
388N83.3Confident82.6Confident87 Ų8749.8 Ų49.847%0.46527%0.271SS..Hα-helixtrans-65.1-38.3174.3-72.6-15.5000111.6S384 L386 R391 N392S384-N388 WeakPolarHBondContact O-CB 3.41Å; S384-N388 PolarHBondContact O-N 3.37Å; S384-N388 PolarHBondContact O-ND2 3.04Å; L386-N388 PolarHBondContact O-N 3.28Å; N388-R391 PolarHBondContact O-N 2.77Å; N388-N392 WeakPolarHBondContact O-CB 3.37Å; N388-N392 PolarHBondContact O-N 2.71Å; N388-N392 PolarHBondContact O-ND2 2.82Å; N388-N392 PolarHBondContact O-OD1 3.2Å
389G82.9Confident81.2Confident31 Ų3155.4 Ų55.432%0.3230%0.302SS..Hα-helixtrans-59.5-51.917300000111.2T385 L386 L387 R391 N392 V393T385-G389 PolarHBondContact O-N 2.81Å; L386-G389 PolarHBondContact O-N 3.05Å; L387-G389 VanDerWaalsContact C-N 3.33Å; G389-R391 VanDerWaalsContact C-N 3.35Å; G389-R391 PolarHBondContact O-N 2.75Å; G389-N392 PolarHBondContact O-N 3.11Å; G389-V393 WeakPolarHBondContact O-CG2 3.46Å; G389-V393 PolarHBondContact O-N 3.19Å
390I83.7Confident79.5Confident5 Ų557.1 Ų57.13%0.02632%0.315CS..Hα-helixtrans-54.6-52.7174.6-65.1166.8000109.6L346 W348 L376 I381 L386 L387 N392 V393 F394L346-I390 HydrophobicContact CD1-CD1 3.79Å; W348-I390 HydrophobicContact CH2-CD1 4.49Å; W348-I390 HydrophobicContact CH2-CG2 3.93Å; W348-I390 HydrophobicContact CZ2-CD1 3.91Å; W348-I390 HydrophobicContact CZ2-CG1 3.9Å; W348-I390 HydrophobicContact CZ2-CG2 4.11Å; L376-I390 HydrophobicContact CD1-CG2 3.77Å; L376-I390 HydrophobicContact CD2-CG2 4.3Å; I381-I390 HydrophobicContact CD1-CD1 4.44Å; L386-I390 HydrophobicContact CD1-CD1 4.25Å; L386-I390 HydrophobicContact CD1-CG1 4.39Å; L386-I390 HydrophobicContact CG-CD1 4.14Å; L386-I390 VanDerWaalsContact O-CG1 3.29Å; L386-I390 WeakPolarHBondContact O-CG1 3.26Å; L386-I390 PolarHBondContact O-N 3.46Å; L387-I390 PolarHBondContact O-N 2.97Å; I390-N392 PolarHBondContact O-N 2.76Å; I390-V393 PolarHBondContact O-N 3.44Å; I390-V393 VanDerWaalsContact O-N 3.16Å; I390-F394 HydrophobicContact CG2-CD2 3.65Å; I390-F394 HydrophobicContact CG2-CE2 4.01Å; I390-F394 WeakPolarHBondContact O-CB 3.24Å; I390-F394 VanDerWaalsContact O-CD2 3.26Å; I390-F394 WeakPolarHBondContact O-CD2 3.5Å; I390-F394 PolarHBondContact O-N 3.27Å
391R84.1Confident77.5Confident110 Ų11065.2 Ų65.242%0.41535%0.352SS..Hα-helixtrans-55.7-48.5179.7-170.7176.9-171.5144.74.7112L376 L387 N388 G389 V393 F394 S395 I422L376-R391 HydrophobicContact CD2-CB 4.38Å; L387-R391 WeakPolarHBondContact O-CB 3.48Å; L387-R391 PolarHBondContact O-N 2.86Å; N388-R391 PolarHBondContact O-N 2.77Å; G389-R391 VanDerWaalsContact C-N 3.35Å; G389-R391 PolarHBondContact O-N 2.75Å; R391-V393 VanDerWaalsContact C-N 3.31Å; R391-V393 PolarHBondContact O-N 3.46Å; R391-F394 CarbonylContact O-C 3.56Å; R391-F394 PolarHBondContact O-N 3.46Å; R391-S395 VanDerWaalsContact O-CB 3.26Å; R391-S395 WeakPolarHBondContact O-CB 3.13Å; R391-S395 PolarHBondContact O-N 3.44Å; R391-S395 PolarHBondContact O-OG 3.07Å; R391-I422 HydrophobicContact CG-CD1 4.41Å
392N84.6Confident75.9Confident115 Ų11572.8 Ų72.862%0.61539%0.385SS*.Hα-helixtrans-61.4-41.1-179.6-71.7-10.5000111.9N388 G389 I390N388-N392 WeakPolarHBondContact O-CB 3.37Å; N388-N392 PolarHBondContact O-N 2.71Å; N388-N392 PolarHBondContact O-ND2 2.82Å; N388-N392 PolarHBondContact O-OD1 3.2Å; G389-N392 PolarHBondContact O-N 3.11Å; I390-N392 PolarHBondContact O-N 2.76Å
393V84Confident74.4Confident17 Ų1770.2 Ų70.210%0.10338%0.382CS..Hα-helixtrans-66.9-44.5177.9177.30000111.2G389 I390 R391 S395 Q396 N406 I409 I413G389-V393 WeakPolarHBondContact O-CG2 3.46Å; G389-V393 PolarHBondContact O-N 3.19Å; I390-V393 PolarHBondContact O-N 3.44Å; I390-V393 VanDerWaalsContact O-N 3.16Å; R391-V393 VanDerWaalsContact C-N 3.31Å; R391-V393 PolarHBondContact O-N 3.46Å; V393-S395 VanDerWaalsContact C-N 3.3Å; V393-S395 PolarHBondContact O-N 3.24Å; V393-Q396 WeakPolarHBondContact O-CG 3.45Å; V393-N406 HydrophobicContact CG1-CB 4.45Å; V393-N406 WeakPolarHBondContact CG1-ND2 3.46Å; V393-N406 WeakPolarHBondContact CG2-ND2 3.21Å; V393-I409 HydrophobicContact CB-CD1 3.79Å; V393-I409 HydrophobicContact CG1-CD1 3.55Å; V393-I409 HydrophobicContact CG2-CD1 3.92Å; V393-I413 HydrophobicContact CG1-CD1 3.18Å
394F84.9Confident72.9Confident1 Ų170.3 Ų70.30%0.00439%0.387CS..Hα-helixtrans-82.9-1.2-177.5-77.1-78000114.1Q333 W348 R374 I390 R391 I409 I413 L416 V461Q333-F394 VanDerWaalsContact OE1-CE1 3.25Å; W348-F394 HydrophobicContact CE3-CE2 4.38Å; W348-F394 HydrophobicContact CE3-CZ 4.12Å; W348-F394 AromaticContact CH2-CE2 3.64Å; W348-F394 HydrophobicContact CH2-CE2 3.64Å; W348-F394 HydrophobicContact CH2-CZ 4.11Å; W348-F394 HydrophobicContact CZ2-CE2 4.12Å; W348-F394 AromaticContact CZ3-CE2 3.79Å; W348-F394 HydrophobicContact CZ3-CE2 3.79Å; W348-F394 AromaticContact CZ3-CZ 3.74Å; W348-F394 HydrophobicContact CZ3-CZ 3.74Å; R374-F394 WeakPolarHBondContact CD-O 3.34Å; R374-F394 PolarHBondContact NH1-O 3.45Å; I390-F394 HydrophobicContact CG2-CD2 3.65Å; I390-F394 HydrophobicContact CG2-CE2 4.01Å; I390-F394 WeakPolarHBondContact O-CB 3.24Å; I390-F394 VanDerWaalsContact O-CD2 3.26Å; I390-F394 WeakPolarHBondContact O-CD2 3.5Å; I390-F394 PolarHBondContact O-N 3.27Å; R391-F394 CarbonylContact O-C 3.56Å; R391-F394 PolarHBondContact O-N 3.46Å; F394-I409 HydrophobicContact CE2-CD1 4.06Å; F394-I409 HydrophobicContact CZ-CG2 4.44Å; F394-I413 HydrophobicContact CD1-CG2 3.57Å; F394-I413 HydrophobicContact CE1-CB 4.44Å; F394-I413 HydrophobicContact CE1-CD1 4.23Å; F394-I413 HydrophobicContact CE1-CG1 4.09Å; F394-I413 HydrophobicContact CE1-CG2 3.65Å; F394-I413 HydrophobicContact CE2-CD1 4.45Å; F394-I413 HydrophobicContact CG-CG2 4.38Å; F394-I413 HydrophobicContact CZ-CD1 4.09Å; F394-I413 HydrophobicContact CZ-CG1 4.27Å; F394-L416 WeakPolarHBondContact O-CD1 3.31Å; F394-V461 HydrophobicContact CD1-CB 4.3Å; F394-V461 HydrophobicContact CD1-CG1 3.78Å; F394-V461 HydrophobicContact CD1-CG2 3.93Å; F394-V461 HydrophobicContact CD2-CG2 3.93Å; F394-V461 HydrophobicContact CE1-CB 4.18Å; F394-V461 HydrophobicContact CE1-CG1 4.04Å; F394-V461 HydrophobicContact CE1-CG2 3.89Å; F394-V461 HydrophobicContact CE2-CG2 3.9Å; F394-V461 HydrophobicContact CG-CG1 4.35Å; F394-V461 HydrophobicContact CG-CG2 3.95Å; F394-V461 HydrophobicContact CZ-CG2 3.88Å
395S81.5Confident71.7Confident46 Ų4672.6 Ų72.632%0.32239%0.393SS..THydrogen-bonded Turntrans-93.47.2176.2-57.50000113.5R391 V393 I422R391-S395 VanDerWaalsContact O-CB 3.26Å; R391-S395 WeakPolarHBondContact O-CB 3.13Å; R391-S395 PolarHBondContact O-N 3.44Å; R391-S395 PolarHBondContact O-OG 3.07Å; V393-S395 VanDerWaalsContact C-N 3.3Å; V393-S395 PolarHBondContact O-N 3.24Å; S395-I422 WeakPolarHBondContact OG-CD1 3.35Å
396Q76.8Confident70.7Confident48 Ų4870.5 Ų70.522%0.22438%0.378CS..  trans-70.8132.4-176.2-67.9176.15.800111.8V393 L416V393-Q396 WeakPolarHBondContact O-CG 3.45Å; Q396-L416 PolarHBondContact O-N 3.18Å
397T75.1Confident69.6Low47 Ų4774.9 Ų74.929%0.28841%0.412SS..BIsolated β-bridgetrans-107.1163.1179.5580000111.6D399 S400 L416T397-D399 PolarHBondContact O-N 2.84Å; T397-D399 VanDerWaalsContact O-N 3.13Å; T397-S400 PolarHBondContact O-N 2.81Å; T397-S400 VanDerWaalsContact O-N 3.08Å; T397-S400 PolarHBondContact O-OG 3.38Å; T397-L416 WeakPolarHBondContact CA-O 3.32Å; T397-L416 HydrophobicContact CG2-CB 4.24Å
398V68.3Low68.9Low66 Ų6676.8 Ų76.840%0.443%0.428SS..THydrogen-bonded Turntrans-55.5-29.8-175.8177.80000114A370 S400 L416A370-V398 HydrophobicContact CB-CG2 3.56Å; V398-S400 PolarHBondContact O-N 3.36Å; V398-S400 VanDerWaalsContact O-N 3.08Å; V398-L416 PolarHBondContact N-O 3.06Å
399D62.9Low68.4Low119 Ų11973.2 Ų73.264%0.63641%0.408SS*.THydrogen-bonded Turntrans-64.4-16.2-179.6-65.1-28000112.9T397 H401T397-D399 PolarHBondContact O-N 2.84Å; T397-D399 VanDerWaalsContact O-N 3.13Å; D399-H401 PolarHBondContact O-N 2.81Å
400S57.1Low68Low48 Ų4875.1 Ų75.134%0.33643%0.428SS..SBendtrans-80.887.9166.765.90000110.3T397 V398 K402T397-S400 PolarHBondContact O-N 2.81Å; T397-S400 VanDerWaalsContact O-N 3.08Å; T397-S400 PolarHBondContact O-OG 3.38Å; V398-S400 PolarHBondContact O-N 3.36Å; V398-S400 VanDerWaalsContact O-N 3.08Å; S400-K402 PolarHBondContact O-N 2.63Å
401H48.3Very low67.8Low173 Ų17376.4 Ų76.480%0.80144%0.435SS*.  trans-60.618.5-177.7-71.3-57.3000117D399D399-H401 PolarHBondContact O-N 2.81Å
402K53.4Low67.7Low163 Ų16372.6 Ų72.671%0.70942%0.422SS*.  trans-128.3115.7178.7-69-175.1179.11800109.8S400 V404 Y415S400-K402 PolarHBondContact O-N 2.63Å; K402-V404 HydrophobicContact CB-CG2 4.36Å; K402-V404 PolarHBondContact O-N 2.9Å; K402-Y415 PolarHBondContact O-OH 3.21Å
403T52.2Low67.5Low98 Ų9868 Ų6860%0.60140%0.398SS*.  trans-63.4106.6161.939.70000106.1Y415T403-Y415 WeakPolarHBondContact CA-OH 3.21Å; T403-Y415 HydrophobicContact CG2-CE2 3.95Å; T403-Y415 WeakPolarHBondContact CG2-OH 3.47Å; T403-Y415 PolarHBondContact N-OH 3.44Å
404V50.1Low67.4Low72 Ų7267.4 Ų67.444%0.43639%0.394SS..  trans-93.5105.1173-177.60000106.9K402 N406K402-V404 HydrophobicContact CB-CG2 4.36Å; K402-V404 PolarHBondContact O-N 2.9Å; V404-N406 VanDerWaalsContact C-N 3.29Å; V404-N406 PolarHBondContact O-N 2.79Å
405N52.4Low67.3Low129 Ų12968.7 Ų68.769%0.6940%0.399SS*.  trans-63.198.4159.4-81.2-10.8000107.3S407N405-S407 PolarHBondContact O-N 3.31Å
406N57Low67.4Low43 Ų4366.7 Ų66.723%0.2339%0.385CS..  trans-73111.9169.9-87.9-37000108.3V393 V404 S408 I409 G410V393-N406 HydrophobicContact CG1-CB 4.45Å; V393-N406 WeakPolarHBondContact CG1-ND2 3.46Å; V393-N406 WeakPolarHBondContact CG2-ND2 3.21Å; V404-N406 VanDerWaalsContact C-N 3.29Å; V404-N406 PolarHBondContact O-N 2.79Å; N406-S408 PolarHBondContact O-N 3.35Å; N406-I409 PolarHBondContact O-N 3.04Å; N406-G410 PolarHBondContact O-N 3.34Å
407S58Low67.4Low126 Ų12666.3 Ų66.388%0.88139%0.387SS*.THydrogen-bonded Turntrans-56.7-22.3-177.255.20000113.6N405N405-S407 PolarHBondContact O-N 3.31Å
408S66.9Low66.8Low69 Ų6967.8 Ų67.848%0.48340%0.4SS..THydrogen-bonded Turntrans-77.5-25.517855.90000114.7N406N406-S408 PolarHBondContact O-N 3.35Å
409I73.4Confident66.5Low11 Ų1172.8 Ų72.86%0.05642%0.423CS..THydrogen-bonded Turntrans-101.2-26.4-176-73.1160.5000111W348 V393 F394 N406 I411 I413W348-I409 HydrophobicContact CB-CG2 4.17Å; W348-I409 VanDerWaalsContact CB-O 3.28Å; W348-I409 WeakPolarHBondContact CB-O 3.19Å; W348-I409 HydrophobicContact CD2-CG2 4.08Å; W348-I409 HydrophobicContact CG-CB 4.47Å; W348-I409 HydrophobicContact CG-CG2 3.83Å; V393-I409 HydrophobicContact CB-CD1 3.79Å; V393-I409 HydrophobicContact CG1-CD1 3.55Å; V393-I409 HydrophobicContact CG2-CD1 3.92Å; F394-I409 HydrophobicContact CE2-CD1 4.06Å; F394-I409 HydrophobicContact CZ-CG2 4.44Å; N406-I409 PolarHBondContact O-N 3.04Å; I409-I411 HydrophobicContact CG2-CD1 4.25Å; I409-I411 HydrophobicContact CG2-CG1 3.45Å; I409-I411 VanDerWaalsContact CG2-CG1 3.45Å; I409-I411 PolarHBondContact O-N 2.56Å; I409-I413 HydrophobicContact CB-CD1 4.26Å; I409-I413 HydrophobicContact CD1-CD1 3.98Å; I409-I413 HydrophobicContact CG2-CD1 3.78Å; I409-I413 HydrophobicContact CG2-CG1 4.31Å
410G74.3Confident66.5Low71 Ų7169 Ų6973%0.73240%0.401SS*.  trans65.12.3169.200000115.9N406N406-G410 PolarHBondContact O-N 3.34Å
411I79.7Confident66.7Low32 Ų3270.4 Ų70.416%0.16441%0.411CS..SBendtrans-121.9157.6172.861.3167.1000110.2Q333 W348 I409Q333-I411 HydrophobicContact CB-CD1 3.93Å; Q333-I411 HydrophobicContact CG-CD1 4.18Å; W348-I411 HydrophobicContact CB-CD1 4.03Å; W348-I411 HydrophobicContact CB-CG1 4.07Å; W348-I411 HydrophobicContact CB-CG2 4.3Å; W348-I411 HydrophobicContact CE3-CD1 4.27Å; I409-I411 HydrophobicContact CG2-CD1 4.25Å; I409-I411 HydrophobicContact CG2-CG1 3.45Å; I409-I411 VanDerWaalsContact CG2-CG1 3.45Å; I409-I411 PolarHBondContact O-N 2.56Å
412D80.4Confident67.4Low30 Ų3063.1 Ų63.116%0.1638%0.378CS..  trans-76.7130.1175.1-173.724.7000110.2Q333 Y355 K359Q333-D412 PolarHBondContact NE2-O 3.29Å; Y355-D412 PolarHBondContact OH-O 3.11Å; K359-D412 VanDerWaalsContact NZ-CB 3.3Å; K359-D412 IonicContact NZ-OD2 3.52Å
413I80.5Confident68.1Low18 Ų1858.5 Ų58.59%0.09236%0.359CS..  trans-113.7111.8-170.1-58.1176.2000107.7V393 F394 I409V393-I413 HydrophobicContact CG1-CD1 3.18Å; F394-I413 HydrophobicContact CD1-CG2 3.57Å; F394-I413 HydrophobicContact CE1-CB 4.44Å; F394-I413 HydrophobicContact CE1-CD1 4.23Å; F394-I413 HydrophobicContact CE1-CG1 4.09Å; F394-I413 HydrophobicContact CE1-CG2 3.65Å; F394-I413 HydrophobicContact CE2-CD1 4.45Å; F394-I413 HydrophobicContact CG-CG2 4.38Å; F394-I413 HydrophobicContact CZ-CD1 4.09Å; F394-I413 HydrophobicContact CZ-CG1 4.27Å; I409-I413 HydrophobicContact CB-CD1 4.26Å; I409-I413 HydrophobicContact CD1-CD1 3.98Å; I409-I413 HydrophobicContact CG2-CD1 3.78Å; I409-I413 HydrophobicContact CG2-CG1 4.31Å
414P81.8Confident68.5Low5 Ų556.3 Ų56.33%0.03235%0.347CS..PPolyproline II helixtrans-72146.6-178.428.8-31000110.1V371 R374V371-P414 HydrophobicContact CG1-CB 3.86Å; V371-P414 HydrophobicContact CG1-CG 3.66Å; R374-P414 PolarHBondContact NH1-O 3.01Å; R374-P414 VanDerWaalsContact NH1-O 3.14Å; R374-P414 PolarHBondContact NH2-O 2.51Å
415Y83.8Confident69.3Low29 Ų2955.1 Ų55.111%0.11434%0.34CS..PPolyproline II helixtrans-67.5156.3178.3-59.3-78.7000111.9A370 V371 K402 T403A370-Y415 CarbonylContact C-O 3.5Å; A370-Y415 WeakPolarHBondContact CA-O 2.84Å; A370-Y415 WeakPolarHBondContact CB-O 3.27Å; V371-Y415 PolarHBondContact N-O 3.29Å; K402-Y415 PolarHBondContact O-OH 3.21Å; T403-Y415 WeakPolarHBondContact CA-OH 3.21Å; T403-Y415 HydrophobicContact CG2-CE2 3.95Å; T403-Y415 WeakPolarHBondContact CG2-OH 3.47Å; T403-Y415 PolarHBondContact N-OH 3.44Å
416L82.4Confident70.6Confident4 Ų450.1 Ų50.12%0.02131%0.312CS..BIsolated β-bridgetrans-88.6140.1166.8-67166.2000110.8V371 R374 F394 Q396 T397 V398 S418 I422V371-L416 HydrophobicContact CG2-CD2 3.7Å; R374-L416 HydrophobicContact CB-CD2 3.42Å; R374-L416 VanDerWaalsContact CB-CD2 3.42Å; R374-L416 HydrophobicContact CG-CD2 4.35Å; F394-L416 WeakPolarHBondContact O-CD1 3.31Å; Q396-L416 PolarHBondContact O-N 3.18Å; T397-L416 WeakPolarHBondContact CA-O 3.32Å; T397-L416 HydrophobicContact CG2-CB 4.24Å; V398-L416 PolarHBondContact N-O 3.06Å; L416-S418 PolarHBondContact O-N 2.62Å; L416-I422 HydrophobicContact CD1-CD1 4.45Å; L416-I422 HydrophobicContact CD1-CG1 3.83Å
417C77.7Confident71.9Confident39 Ų3949.9 Ų49.926%0.26431%0.313SS..PPolyproline II helixtrans-56.5138.3166.5-75.40000109.4A370 V371 L419 E420A370-C417 VanDerWaalsContact CB-SG 3.57Å; V371-C417 PolarHBondContact O-N 2.66Å; C417-L419 PolarHBondContact O-N 2.92Å; C417-E420 HydrophobicContact CB-CB 4.38Å; C417-E420 HydrophobicContact CB-CG 3.93Å; C417-E420 WeakPolarHBondContact O-CB 3.43Å; C417-E420 PolarHBondContact O-N 3.34Å
418S62.4Low73.3Confident79 Ų7944.6 Ų44.655%0.55228%0.275SS*.THydrogen-bonded Turntrans-61.2-21.4-170.756.30000114.8L416L416-S418 PolarHBondContact O-N 2.62Å
419L60.9Low74.2Confident170 Ų17043.5 Ų43.589%0.8927%0.266SS*.THydrogen-bonded Turntrans-88.1-9.2178.1-65.9169.4000113.6C417C417-L419 PolarHBondContact O-N 2.92Å
420E63.9Low74.8Confident39 Ų3948.1 Ų48.118%0.18229%0.291CS..  trans-96.5132.1-174.9-72-80.3146.800110.9Q325 L372 C373 C417Q325-E420 PolarHBondContact NE2-OE1 3.02Å; L372-E420 VanDerWaalsContact O-CG 3.22Å; L372-E420 WeakPolarHBondContact O-CG 3.29Å; C373-E420 WeakPolarHBondContact CA-OE2 3.44Å; C417-E420 HydrophobicContact CB-CB 4.38Å; C417-E420 HydrophobicContact CB-CG 3.93Å; C417-E420 WeakPolarHBondContact O-CB 3.43Å; C417-E420 PolarHBondContact O-N 3.34Å
421S61.7Low75.5Confident78 Ų7847.3 Ų47.355%0.54527%0.267SS..  trans-98.3152.9166.772.20000110H423S421-H423 PolarHBondContact O-N 3.01Å; S421-H423 PolarHBondContact O-ND1 3.13Å
422I62.8Low76Confident21 Ų2147 Ų4711%0.10827%0.266CS..  trans-59.3112.1167.3-63.2-178.9000107.7R374 L376 R391 S395 L416 V425R374-I422 HydrophobicContact CG-CG1 4.4Å; R374-I422 CarbonylContact O-C 3.48Å; R374-I422 WeakPolarHBondContact O-CA 3.46Å; L376-I422 HydrophobicContact CB-CG2 4.41Å; R391-I422 HydrophobicContact CG-CD1 4.41Å; S395-I422 WeakPolarHBondContact OG-CD1 3.35Å; L416-I422 HydrophobicContact CD1-CD1 4.45Å; L416-I422 HydrophobicContact CD1-CG1 3.83Å; I422-V425 HydrophobicContact CG2-CG2 3.77Å
423H68.1Low76.5Confident66 Ų6645.7 Ų45.731%0.30626%0.259SS..EExtended strand (participates in β ladder)trans-75.1148.1175.7-8168.6000110.3R374 Q375 S421 V425R374-H423 PolarHBondContact O-N 3.43Å; Q375-H423 WeakPolarHBondContact CA-O 3.41Å; Q375-H423 HydrophobicContact CG-CB 3.92Å; S421-H423 PolarHBondContact O-N 3.01Å; S421-H423 PolarHBondContact O-ND1 3.13Å; H423-V425 PolarHBondContact O-N 3.14Å
424S61Low77Confident51 Ų5147.8 Ų47.836%0.35727%0.269SS..EExtended strand (participates in β ladder)trans31.886166.3-1640000115.3Y426S424-Y426 PolarHBondContact O-N 2.75Å
425V65.7Low77.1Confident47 Ų4747.9 Ų47.929%0.28527%0.269SS..EExtended strand (participates in β ladder)trans-86.2102.5171.3-175.40000108.9L376 I422 H423L376-V425 HydrophobicContact CB-CG1 4.19Å; L376-V425 HydrophobicContact CB-CG2 4.16Å; L376-V425 HydrophobicContact CD2-CG1 3.89Å; L376-V425 HydrophobicContact CG-CG1 4.12Å; L376-V425 VanDerWaalsContact O-CA 3.26Å; L376-V425 WeakPolarHBondContact O-CA 3.36Å; I422-V425 HydrophobicContact CG2-CG2 3.77Å; H423-V425 PolarHBondContact O-N 3.14Å
426Y80.5Confident76.4Confident25 Ų2548.5 Ų48.510%0.09828%0.284CS..EExtended strand (participates in β ladder)trans-97.5136.3171155.2-97.5000110.6T301 L305 L376 M377 S378 S424 L428T301-Y426 HydrophobicContact CG2-CE1 3.57Å; T301-Y426 WeakPolarHBondContact CG2-OH 3.34Å; L305-Y426 HydrophobicContact CD1-CD2 3.48Å; L305-Y426 VanDerWaalsContact CD1-CD2 3.48Å; L305-Y426 HydrophobicContact CD1-CE1 4.4Å; L305-Y426 HydrophobicContact CD1-CE2 3.1Å; L305-Y426 HydrophobicContact CD1-CG 4.23Å; L305-Y426 HydrophobicContact CD2-CE2 3.96Å; L305-Y426 HydrophobicContact CG-CE2 4.04Å; L376-Y426 PolarHBondContact O-N 3.07Å; L376-Y426 VanDerWaalsContact O-N 3.1Å; M377-Y426 CarbonylContact C-O 3.56Å; M377-Y426 VanDerWaalsContact CA-O 3.29Å; M377-Y426 WeakPolarHBondContact CA-O 3.5Å; M377-Y426 HydrophobicContact CB-CD1 4.49Å; S378-Y426 PolarHBondContact N-O 3.18Å; S424-Y426 PolarHBondContact O-N 2.75Å; Y426-L428 HydrophobicContact CE1-CG 4.47Å; Y426-L428 HydrophobicContact CE2-CB 4.49Å; Y426-L428 HydrophobicContact CE2-CD1 4.11Å; Y426-L428 HydrophobicContact CE2-CD2 3.82Å; Y426-L428 HydrophobicContact CE2-CG 3.45Å; Y426-L428 VanDerWaalsContact CE2-CG 3.45Å; Y426-L428 WeakPolarHBondContact OH-CD1 2.94Å; Y426-L428 WeakPolarHBondContact OH-CG 3.28Å
427S83.4Confident75.6Confident37 Ų3750.2 Ų50.226%0.25929%0.293SS..EExtended strand (participates in β ladder)trans-141.4125.3179.41790000110.5S378 P429S378-S427 WeakPolarHBondContact OG-CB 3.12Å; S378-S427 PolarHBondContact OG-OG 3.15Å; S378-S427 VanDerWaalsContact OG-OG 3.11Å; S427-P429 WeakPolarHBondContact O-CD 3.32Å
428L88.1Confident74.5Confident16 Ų1651.5 Ų51.58%0.08430%0.3CS..EExtended strand (participates in β ladder)trans-110.887.6162.7-72.5-177.1000110.7P44 F45 L305 S378 G380 Y426 N430 Y431P44-L428 HydrophobicContact CG-CD1 4.08Å; F45-L428 HydrophobicContact CE1-CD1 4.37Å; F45-L428 HydrophobicContact CE2-CD1 4Å; F45-L428 HydrophobicContact CZ-CD1 3.55Å; L305-L428 HydrophobicContact CD2-CD1 4.03Å; S378-L428 PolarHBondContact O-N 3.03Å; G380-L428 PolarHBondContact N-O 3.34Å; Y426-L428 HydrophobicContact CE1-CG 4.47Å; Y426-L428 HydrophobicContact CE2-CB 4.49Å; Y426-L428 HydrophobicContact CE2-CD1 4.11Å; Y426-L428 HydrophobicContact CE2-CD2 3.82Å; Y426-L428 HydrophobicContact CE2-CG 3.45Å; Y426-L428 VanDerWaalsContact CE2-CG 3.45Å; Y426-L428 WeakPolarHBondContact OH-CD1 2.94Å; Y426-L428 WeakPolarHBondContact OH-CG 3.28Å; L428-N430 PolarHBondContact O-N 3.33Å; L428-Y431 HydrophobicContact CB-CD2 3.98Å; L428-Y431 HydrophobicContact CB-CG 4.37Å; L428-Y431 HydrophobicContact CD1-CD2 3.78Å; L428-Y431 HydrophobicContact CD1-CG 3.89Å; L428-Y431 HydrophobicContact CD2-CD2 3.93Å; L428-Y431 HydrophobicContact CD2-CE2 4.44Å; L428-Y431 HydrophobicContact CG-CD2 4.07Å; L428-Y431 PolarHBondContact O-N 3.37Å
429P85.8Confident73.7Confident45 Ų4556.2 Ų56.229%0.29231%0.31SS..THydrogen-bonded Turntrans-59-31.1177.922.8-33.3000112.6G380 I381 K382 S427G380-P429 CarbonylContact C-O 3.24Å; G380-P429 VanDerWaalsContact C-O 3.24Å; G380-P429 WeakPolarHBondContact CA-O 3.49Å; I381-P429 WeakPolarHBondContact O-CA 3.4Å; I381-P429 VanDerWaalsContact O-CB 3.29Å; I381-P429 WeakPolarHBondContact O-CB 3.45Å; K382-P429 HydrophobicContact CG-CB 4.42Å; K382-P429 WeakPolarHBondContact CG-O 3.21Å; S427-P429 WeakPolarHBondContact O-CD 3.32Å
430N86.5Confident72.9Confident108 Ų10854.2 Ų54.258%0.57830%0.296SS*.THydrogen-bonded Turntrans-94.9-4.6-174.2-64.9-31.9000114.6L428 P432L428-N430 PolarHBondContact O-N 3.33Å; N430-P432 VanDerWaalsContact O-CD 3.31Å; N430-P432 WeakPolarHBondContact O-CD 3.45Å
431Y87.9Confident71.9Confident55 Ų5554.7 Ų54.722%0.21631%0.307CS..  trans-122.878.4-175.9-60.2-89.4000111.2E42 P44 F45 R379 G380 L428E42-Y431 PolarHBondContact O-OH 2.77Å; P44-Y431 VanDerWaalsContact CD-CE1 3.45Å; P44-Y431 VanDerWaalsContact CD-CZ 3.41Å; P44-Y431 HydrophobicContact CG-CD1 4.12Å; P44-Y431 HydrophobicContact CG-CD2 4Å; P44-Y431 HydrophobicContact CG-CE1 3.88Å; P44-Y431 HydrophobicContact CG-CE2 3.72Å; P44-Y431 HydrophobicContact CG-CG 4.19Å; F45-Y431 HydrophobicContact CE2-CD1 4.46Å; R379-Y431 PolarHBondContact NE-O 3.27Å; G380-Y431 PolarHBondContact N-O 3.13Å; L428-Y431 HydrophobicContact CB-CD2 3.98Å; L428-Y431 HydrophobicContact CB-CG 4.37Å; L428-Y431 HydrophobicContact CD1-CD2 3.78Å; L428-Y431 HydrophobicContact CD1-CG 3.89Å; L428-Y431 HydrophobicContact CD2-CD2 3.93Å; L428-Y431 HydrophobicContact CD2-CE2 4.44Å; L428-Y431 HydrophobicContact CG-CD2 4.07Å; L428-Y431 PolarHBondContact O-N 3.37Å
432P90.1Very high70.8Confident24 Ų2459.4 Ų59.416%0.15632%0.323CS..  trans-66.7168.3170.532.9-36.8000111N430 Q434 N455N430-P432 VanDerWaalsContact O-CD 3.31Å; N430-P432 WeakPolarHBondContact O-CD 3.45Å; P432-Q434 HydrophobicContact CG-CG 4.13Å; P432-N455 WeakPolarHBondContact CB-OD1 3.46Å; P432-N455 VanDerWaalsContact CG-OD1 3.23Å; P432-N455 WeakPolarHBondContact CG-OD1 3.34Å
433L92.4Very high69.7Low3 Ų366.1 Ų66.12%0.01636%0.358CS..EExtended strand (participates in β ladder)trans-84.3117.5177.9-62163.8000108.4L27 S294 D297 T298 R379 N455 T456 M458L27-L433 HydrophobicContact CD2-CB 4.02Å; S294-L433 VanDerWaalsContact CB-CD1 3.45Å; D297-L433 HydrophobicContact CB-CD2 4Å; D297-L433 WeakPolarHBondContact OD1-CD2 3.2Å; T298-L433 WeakPolarHBondContact OG1-CD1 3.44Å; R379-L433 HydrophobicContact CB-CD1 4.36Å; R379-L433 HydrophobicContact CB-CG 4.08Å; R379-L433 HydrophobicContact CG-CD2 4.4Å; R379-L433 HydrophobicContact CG-CG 4.42Å; L433-N455 CarbonylContact O-C 3.43Å; L433-N455 WeakPolarHBondContact O-CA 3.2Å; L433-T456 WeakPolarHBondContact CB-O 3.43Å; L433-T456 HydrophobicContact CD1-CG2 4.39Å; L433-T456 PolarHBondContact N-O 2.78Å; L433-T456 PolarHBondContact O-N 3.29Å; L433-M458 HydrophobicContact CD1-CB 4Å; L433-M458 HydrophobicContact CD1-SD 4.2Å
434Q89.8Confident68.4Low63 Ų6365 Ų6529%0.29436%0.358SS..EExtended strand (participates in β ladder)trans-128.8146.3-171.3-72.5-174.8-1000112.2L27 Y30 P432 T454 N455L27-Q434 WeakPolarHBondContact CD2-O 3.49Å; Y30-Q434 HydrophobicContact CD1-CB 3.61Å; Y30-Q434 WeakPolarHBondContact CD1-O 3.39Å; Y30-Q434 HydrophobicContact CE1-CB 3.18Å; Y30-Q434 HydrophobicContact CE1-CG 4.22Å; Y30-Q434 VanDerWaalsContact CE1-OE1 3.25Å; Y30-Q434 PolarHBondContact OH-OE1 2.72Å; P432-Q434 HydrophobicContact CG-CG 4.13Å; Q434-T454 VanDerWaalsContact CA-O 3.29Å; Q434-T454 WeakPolarHBondContact CA-O 3.3Å; Q434-N455 HydrophobicContact CG-CB 4.39Å; Q434-N455 VanDerWaalsContact CG-OD1 3.23Å; Q434-N455 WeakPolarHBondContact CG-OD1 3.4Å; Q434-N455 PolarHBondContact NE2-OD1 3.07Å
435T83.4Confident67.4Low7 Ų769 Ų694%0.04339%0.386CS..  trans-121.4148.4173.267.90000110.3N26 L27 I437 Y453 T454N26-T435 HydrophobicContact CB-CG2 4.27Å; L27-T435 HydrophobicContact CD2-CG2 3.61Å; L27-T435 HydrophobicContact CG-CG2 4.22Å; T435-I437 PolarHBondContact O-N 2.87Å; T435-Y453 PolarHBondContact OG1-O 2.94Å; T435-T454 PolarHBondContact N-O 3.38Å; T435-T454 WeakPolarHBondContact OG1-CA 3.5Å
436G69.3Low66.3Low41 Ų4170.1 Ų70.142%0.42340%0.396SS..THydrogen-bonded Turntrans-792.3-177.700000115.5T438G436-T438 PolarHBondContact O-N 3.34Å
437I66.1Low64.9Low40 Ų4073.7 Ų73.721%0.20542%0.424CS..THydrogen-bonded Turntrans-79.6-17.1-159.9-70.6168.1000113.1N26 T435 K439 Q440 Q452N26-I437 HydrophobicContact CB-CD1 4.4Å; T435-I437 PolarHBondContact O-N 2.87Å; I437-K439 VanDerWaalsContact C-N 3.3Å; I437-K439 PolarHBondContact O-N 2.65Å; I437-Q440 PolarHBondContact O-N 3.04Å; I437-Q452 HydrophobicContact CD1-CG 4.27Å
438T54.4Low63.4Low67 Ų6776.8 Ų76.841%0.41144%0.436SS..Hα-helixtrans-65.3-26.4179.82.70000114.7G436 Q440 A441 T454G436-T438 PolarHBondContact O-N 3.34Å; T438-Q440 PolarHBondContact O-N 3.16Å; T438-A441 PolarHBondContact O-N 2.72Å; T438-T454 HydrophobicContact CG2-CG2 3.25Å; T438-T454 WeakPolarHBondContact OG1-CB 2.94Å; T438-T454 WeakPolarHBondContact OG1-CG2 2.95Å
439K47Very low62.3Low178 Ų17880.2 Ų80.277%0.77445%0.451SS*.Hα-helixtrans-70.1-16.3-176-76.6-168.8177.5-175.60113.9I437I437-K439 VanDerWaalsContact C-N 3.3Å; I437-K439 PolarHBondContact O-N 2.65Å
440Q43.4Very low62.1Low127 Ų12779 Ų7959%0.59344%0.443SS*.Hα-helixtrans-104.1-25.5174.8-80.5172.5-25.300113.4I437 T438 M442 L443I437-Q440 PolarHBondContact O-N 3.04Å; T438-Q440 PolarHBondContact O-N 3.16Å; Q440-M442 VanDerWaalsContact C-N 3.25Å; Q440-M442 PolarHBondContact O-N 3.45Å; Q440-L443 PolarHBondContact O-N 3.36Å
441A43Very low61.9Low50 Ų5078 Ų7841%0.41344%0.435SS..Hα-helixtrans-63.7-24.6-174.300000114.5T438 L443T438-A441 PolarHBondContact O-N 2.72Å; A441-L443 VanDerWaalsContact C-N 3.26Å; A441-L443 PolarHBondContact O-N 3.47Å
442M37.9Very low61.9Low177 Ų17776.4 Ų76.487%0.87243%0.43SS*.THydrogen-bonded Turntrans-71.6-15.6178.7-77.5-69.1-156.700114.2Q440Q440-M442 VanDerWaalsContact C-N 3.25Å; Q440-M442 PolarHBondContact O-N 3.45Å
443L40.4Very low61.8Low162 Ų16276.5 Ų76.585%0.84843%0.427SS*.THydrogen-bonded Turntrans-101.2-9.1-173.2-73.7166.5000114.6Q440 A441Q440-L443 PolarHBondContact O-N 3.36Å; A441-L443 VanDerWaalsContact C-N 3.26Å; A441-L443 PolarHBondContact O-N 3.47Å
444S40.8Very low61.5Low42 Ų4278.9 Ų78.929%0.29444%0.442SS..  trans-128.4105.7178.567.90000111S446S444-S446 WeakPolarHBondContact CB-OG 2.97Å; S444-S446 PolarHBondContact O-N 3.08Å
445S40.8Very low61.4Low136 Ų13678.1 Ų78.195%0.95144%0.44SS*.  trans-64.7-7.1168.654.50000113.2S447S445-S447 PolarHBondContact O-N 2.68Å
446S42.4Very low61.9Low70 Ų7078 Ų7849%0.4944%0.439SS..SBendtrans-60.9126.4168.759.40000108.9S444 M448S444-S446 WeakPolarHBondContact CB-OG 2.97Å; S444-S446 PolarHBondContact O-N 3.08Å; S446-M448 VanDerWaalsContact C-N 3.32Å; S446-M448 PolarHBondContact O-N 3.23Å
447S49.4Very low63Low100 Ų10077 Ų7770%0.69942%0.424SS*.  trans-48.195.9170.855.80000109.8S445 H449S445-S447 PolarHBondContact O-N 2.68Å; S447-H449 PolarHBondContact O-N 2.88Å
448M52.8Low64.4Low101 Ų10175.1 Ų75.150%0.49841%0.414SS..  trans-55.3128170.4-75-93.594.500106.6S446 C450S446-M448 VanDerWaalsContact C-N 3.32Å; S446-M448 PolarHBondContact O-N 3.23Å; M448-C450 PolarHBondContact O-N 2.63Å
449H65.3Low66.2Low89 Ų8972 Ų7241%0.41239%0.394SS..SBendtrans-56.9-20.2180-64.9-68.5000112.8C112 S447C112-H449 PolarHBondContact SG-O 2.84Å; S447-H449 PolarHBondContact O-N 2.88Å
450C81.7Confident68.5Low18 Ų1863.5 Ų63.512%0.12236%0.357CS..  trans-122.6115.4179.1167.10000111.7H23 C117 M448 Q452H23-C450 PolarHBondContact CE1-SG 2.9Å; C117-C450 HydrophobicContact CB-CB 4.31Å; M448-C450 PolarHBondContact O-N 2.63Å; C450-Q452 PolarHBondContact SG-NE2 2.95Å; C450-Q452 VanDerWaalsContact SG-NE2 3.39Å
451Q82.4Confident70.8Confident89 Ų8957.4 Ų57.442%0.41633%0.329SS..  trans-102.7114166.9-58-176.9-5.700110H284 C286 K287H284-Q451 HydrophobicContact CB-CB 4.39Å; H284-Q451 PolarHBondContact CE1-N 3.44Å; C286-Q451 CarbonylContact C-O 3.53Å; C286-Q451 VanDerWaalsContact C-O 3.24Å; C286-Q451 WeakPolarHBondContact CB-O 3.34Å; K287-Q451 HydrophobicContact CG-CB 4.41Å; K287-Q451 WeakPolarHBondContact CG-O 3.04Å; K287-Q451 PolarHBondContact N-O 2.85Å; K287-Q451 VanDerWaalsContact N-O 3.15Å
452Q86.7Confident73.2Confident21 Ų2155.2 Ų55.210%0.09831%0.31CS..  trans-126158.5174.469.9-167.4-78.100110.9H23 N26 C117 I437 C450H23-Q452 PolarHBondContact ND1-OE1 2.88Å; N26-Q452 PolarHBondContact ND2-NE2 2.83Å; N26-Q452 VanDerWaalsContact ND2-NE2 3.13Å; N26-Q452 PolarHBondContact ND2-OE1 2.99Å; C117-Q452 PolarHBondContact O-NE2 2.87Å; I437-Q452 HydrophobicContact CD1-CG 4.27Å; C450-Q452 PolarHBondContact SG-NE2 2.95Å; C450-Q452 VanDerWaalsContact SG-NE2 3.39Å
453Y89.1Confident75.7Confident25 Ų2546.9 Ų46.910%0.09827%0.269CS..  trans-74.1144174.5-63.8-68.5000111.2H282 K287 S290 V291 C338 T435H282-Y453 AromaticContact CE1-CE2 3.92Å; H282-Y453 AromaticContact ND1-CE2 3.43Å; H282-Y453 WeakPolarHBondContact ND1-CE2 3.48Å; H282-Y453 AromaticContact ND1-CZ 3.51Å; H282-Y453 PolarHBondContact ND1-OH 3.04Å; K287-Y453 HydrophobicContact CB-CD2 4.41Å; K287-Y453 HydrophobicContact CB-CE2 3.72Å; K287-Y453 HydrophobicContact CD-CE1 4.17Å; K287-Y453 HydrophobicContact CD-CE2 4.24Å; K287-Y453 HydrophobicContact CG-CD2 4.42Å; K287-Y453 HydrophobicContact CG-CE1 4.49Å; K287-Y453 HydrophobicContact CG-CE2 3.92Å; S290-Y453 WeakPolarHBondContact OG-CD2 3.32Å; V291-Y453 HydrophobicContact CG2-CD2 4.06Å; V291-Y453 HydrophobicContact CG2-CE2 3.94Å; C338-Y453 HydrophobicContact CB-CD1 3.31Å; C338-Y453 HydrophobicContact CB-CD2 3.67Å; C338-Y453 HydrophobicContact CB-CE1 3.42Å; C338-Y453 VanDerWaalsContact CB-CE1 3.42Å; C338-Y453 HydrophobicContact CB-CE2 3.81Å; C338-Y453 HydrophobicContact CB-CG 3.4Å; C338-Y453 VanDerWaalsContact CB-CG 3.4Å; C338-Y453 WeakPolarHBondContact SG-CD2 2.81Å; T435-Y453 PolarHBondContact OG1-O 2.94Å
454T85.1Confident78.1Confident54 Ų5439.3 Ų39.333%0.33123%0.23SC..SBendtrans-94.4-27.8-174.958.50000111.6Q434 T435 T438Q434-T454 VanDerWaalsContact CA-O 3.29Å; Q434-T454 WeakPolarHBondContact CA-O 3.3Å; T435-T454 PolarHBondContact N-O 3.38Å; T435-T454 WeakPolarHBondContact OG1-CA 3.5Å; T438-T454 HydrophobicContact CG2-CG2 3.25Å; T438-T454 WeakPolarHBondContact OG1-CB 2.94Å; T438-T454 WeakPolarHBondContact OG1-CG2 2.95Å
455N89Confident80.4Confident46 Ų4637.4 Ų37.425%0.24622%0.217CC..EExtended strand (participates in β ladder)trans-144.2126.7176.6-169.633.5000108.5P432 L433 Q434 H457P432-N455 WeakPolarHBondContact CB-OD1 3.46Å; P432-N455 VanDerWaalsContact CG-OD1 3.23Å; P432-N455 WeakPolarHBondContact CG-OD1 3.34Å; L433-N455 CarbonylContact O-C 3.43Å; L433-N455 WeakPolarHBondContact O-CA 3.2Å; Q434-N455 HydrophobicContact CG-CB 4.39Å; Q434-N455 VanDerWaalsContact CG-OD1 3.23Å; Q434-N455 WeakPolarHBondContact CG-OD1 3.4Å; Q434-N455 PolarHBondContact NE2-OD1 3.07Å; N455-H457 PolarHBondContact ND2-CE1 3.03Å; N455-H457 PolarHBondContact ND2-NE2 2.93Å
456T92.9Very high82.5Confident4 Ų431.5 Ų31.53%0.02517%0.174CC..EExtended strand (participates in β ladder)trans-130.6125-178.2-65.60000109V336 C338 L433 M458V336-T456 HydrophobicContact CG2-CG2 3.66Å; C338-T456 PolarHBondContact SG-OG1 2.82Å; L433-T456 WeakPolarHBondContact CB-O 3.43Å; L433-T456 HydrophobicContact CD1-CG2 4.39Å; L433-T456 PolarHBondContact N-O 2.78Å; L433-T456 PolarHBondContact O-N 3.29Å; T456-M458 HydrophobicContact CG2-CE 4.12Å
457H93.5Very high84.4Confident22 Ų2229.5 Ų29.510%0.10216%0.159CC..EExtended strand (participates in β ladder)trans-99.3132.3170.4-48.683000107.3N337 M341 R379 G380 N455N337-H457 HydrophobicContact CB-CB 4.47Å; N337-H457 PolarHBondContact N-O 2.91Å; N337-H457 PolarHBondContact O-N 2.75Å; N337-H457 PolarHBondContact O-ND1 3.22Å; M341-H457 HydrophobicContact SD-CB 4.18Å; R379-H457 WeakPolarHBondContact O-CA 3.32Å; G380-H457 PolarHBondContact O-CD2 2.9Å; N455-H457 PolarHBondContact ND2-CE1 3.03Å; N455-H457 PolarHBondContact ND2-NE2 2.93Å
458M94Very high86Confident0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-143.3140.2-169.2-174.2163.9-78.400111.5V291 S294 V295 T334 G335 V336 S378 R379 L433 T456V291-M458 HydrophobicContact CG1-CE 4.13Å; S294-M458 VanDerWaalsContact CB-CE 3.45Å; S294-M458 VanDerWaalsContact O-SD 3.37Å; V295-M458 HydrophobicContact CB-SD 4.29Å; V295-M458 HydrophobicContact CG2-CE 3.78Å; V295-M458 HydrophobicContact CG2-SD 3.65Å; V295-M458 PolarHBondContact N-SD 2.75Å; T334-M458 WeakPolarHBondContact OG1-CG 2.9Å; G335-M458 CarbonylContact O-C 3.44Å; G335-M458 WeakPolarHBondContact O-CA 3.04Å; V336-M458 HydrophobicContact CB-CE 4.03Å; V336-M458 HydrophobicContact CG2-CE 3.75Å; S378-M458 CarbonylContact C-O 3.58Å; S378-M458 VanDerWaalsContact CA-O 3.26Å; S378-M458 WeakPolarHBondContact CA-O 3.19Å; R379-M458 PolarHBondContact N-O 3.14Å; R379-M458 PolarHBondContact O-N 3.11Å; L433-M458 HydrophobicContact CD1-CB 4Å; L433-M458 HydrophobicContact CD1-SD 4.2Å; T456-M458 HydrophobicContact CG2-CE 4.12Å
459S93Very high87.7Confident0 Ų022.6 Ų22.60%012%0.117CC..EExtended strand (participates in β ladder)trans-120134.6161.2-159.90000108T334 G335 L376 M377T334-S459 CarbonylContact C-O 3.48Å; T334-S459 WeakPolarHBondContact CA-O 3.31Å; T334-S459 PolarHBondContact OG1-O 3.3Å; T334-S459 VanDerWaalsContact OG1-O 3.07Å; G335-S459 PolarHBondContact N-O 3.37Å; G335-S459 PolarHBondContact O-N 3.5Å; L376-S459 WeakPolarHBondContact CD1-OG 3.31Å; M377-S459 CarbonylContact O-C 3.57Å; M377-S459 WeakPolarHBondContact O-CA 3.18Å
460C94.5Very high88.9Confident0 Ų019.2 Ų19.20%010%0.101CC..EExtended strand (participates in β ladder)trans-119.2133.1172.7-69.30000108.7T298 V299 V332 Q333 M377T298-C460 HydrophobicContact CG2-CB 3.95Å; V299-C460 HydrophobicContact CG2-CB 4.21Å; V332-C460 HydrophobicContact CG2-CB 4Å; Q333-C460 CarbonylContact O-C 3.44Å; Q333-C460 WeakPolarHBondContact O-CA 3.16Å; M377-C460 HydrophobicContact CB-CB 4.49Å; M377-C460 PolarHBondContact N-O 3.17Å; M377-C460 PolarHBondContact O-N 2.91Å
461V92.9Very high89.4Confident0 Ų018.7 Ų18.70%010%0.097CC..EExtended strand (participates in β ladder)trans-111.1115.7168.8-178.50000106V332 Q333 W348 R374 Q375 L376 F394V332-V461 WeakPolarHBondContact CA-O 3.47Å; Q333-V461 HydrophobicContact CB-CB 4.36Å; Q333-V461 PolarHBondContact N-O 3.47Å; Q333-V461 PolarHBondContact O-N 2.85Å; W348-V461 HydrophobicContact CH2-CG2 4.16Å; W348-V461 HydrophobicContact CZ3-CG2 4Å; R374-V461 HydrophobicContact CG-CG1 3.68Å; Q375-V461 CarbonylContact O-C 3.54Å; Q375-V461 VanDerWaalsContact O-CA 3.32Å; Q375-V461 WeakPolarHBondContact O-CA 3.4Å; L376-V461 HydrophobicContact CD1-CG2 3.7Å; F394-V461 HydrophobicContact CD1-CB 4.3Å; F394-V461 HydrophobicContact CD1-CG1 3.78Å; F394-V461 HydrophobicContact CD1-CG2 3.93Å; F394-V461 HydrophobicContact CD2-CG2 3.93Å; F394-V461 HydrophobicContact CE1-CB 4.18Å; F394-V461 HydrophobicContact CE1-CG1 4.04Å; F394-V461 HydrophobicContact CE1-CG2 3.89Å; F394-V461 HydrophobicContact CE2-CG2 3.9Å; F394-V461 HydrophobicContact CG-CG1 4.35Å; F394-V461 HydrophobicContact CG-CG2 3.95Å; F394-V461 HydrophobicContact CZ-CG2 3.88Å
462V92.2Very high89.8Confident3 Ų314.7 Ų14.72%0.0188%0.079CC..EExtended strand (participates in β ladder)trans-107115.4-179.6-1780000108V299 L330 T331 V332 R374 Q375 M377V299-V462 HydrophobicContact CG1-CG2 4.21Å; V299-V462 HydrophobicContact CG2-CG2 3.74Å; L330-V462 HydrophobicContact CB-CG1 4.13Å; L330-V462 HydrophobicContact CD1-CG1 4.05Å; L330-V462 HydrophobicContact CD2-CG1 4.27Å; L330-V462 HydrophobicContact CG-CG1 4.4Å; T331-V462 CarbonylContact O-C 3.57Å; T331-V462 WeakPolarHBondContact O-CA 3.32Å; V332-V462 HydrophobicContact CG2-CG2 4.19Å; R374-V462 CarbonylContact C-O 3.52Å; R374-V462 WeakPolarHBondContact CA-O 3.39Å; Q375-V462 PolarHBondContact N-O 2.88Å; Q375-V462 PolarHBondContact O-N 3.04Å; M377-V462 HydrophobicContact SD-CG2 4.22Å
463D90.9Very high90Very high2 Ų216 Ų161%0.0118%0.084CC..EExtended strand (participates in β ladder)trans-107.4151.1-178.6-71.4-19.3000111.1T331 V371 C373 R374 P465T331-D463 PolarHBondContact N-O 3.01Å; T331-D463 PolarHBondContact O-N 2.83Å; V371-D463 HydrophobicContact CB-CB 4.16Å; V371-D463 HydrophobicContact CG1-CB 3.88Å; V371-D463 HydrophobicContact CG2-CB 4.32Å; C373-D463 CarbonylContact O-C 3.5Å; C373-D463 WeakPolarHBondContact O-CA 3.46Å; R374-D463 VanDerWaalsContact CB-OD1 3.31Å; R374-D463 WeakPolarHBondContact CB-OD1 3.44Å; R374-D463 VanDerWaalsContact CG-OD1 3.24Å; R374-D463 WeakPolarHBondContact CG-OD1 3.48Å; R374-D463 IonicContact CZ-OD1 3.8Å; R374-D463 IonicContact CZ-OD2 3.44Å; R374-D463 IonicContact NE-OD1 3.68Å; R374-D463 PolarHBondContact NE-OD1 2.85Å; R374-D463 IonicContact NE-OD2 2.65Å; R374-D463 IonicContact NH2-OD1 3.56Å; R374-D463 PolarHBondContact NH2-OD1 2.87Å; R374-D463 IonicContact NH2-OD2 2.71Å; R374-D463 PolarHBondContact NH2-OD2 3.08Å; D463-P465 WeakPolarHBondContact O-CD 3.29Å
464I90.1Very high90.2Very high4 Ų415.1 Ų15.12%0.0218%0.081CC..EExtended strand (participates in β ladder)trans-102.8106.1167.7-57.7-169.4000108.2T321 Q325 R327 L330 L372 C373T321-I464 VanDerWaalsContact C-CD1 3.48Å; T321-I464 WeakPolarHBondContact O-CD1 3.22Å; Q325-I464 HydrophobicContact CB-CG2 4.34Å; Q325-I464 HydrophobicContact CG-CD1 4.24Å; R327-I464 HydrophobicContact CB-CG2 3.56Å; R327-I464 HydrophobicContact CG-CG2 3.94Å; L330-I464 HydrophobicContact CD2-CD1 4.22Å; L330-I464 HydrophobicContact CD2-CG1 3.8Å; L372-I464 HydrophobicContact CB-CB 4.22Å; L372-I464 HydrophobicContact CB-CG2 4.09Å; L372-I464 HydrophobicContact CD1-CG2 4.25Å; L372-I464 PolarHBondContact N-O 3.2Å; C373-I464 HydrophobicContact CB-CB 4.14Å; C373-I464 HydrophobicContact CB-CD1 3.89Å; C373-I464 HydrophobicContact CB-CG1 3.98Å; C373-I464 PolarHBondContact O-N 3.3Å
465P89Confident90.6Very high2 Ų212.5 Ų12.51%0.0137%0.065CC..  trans-65.9143.9-179.624.8-30.9000111.4M329 D463 S469M329-P465 HydrophobicContact CB-CG 4.45Å; M329-P465 HydrophobicContact CE-CB 4.35Å; M329-P465 HydrophobicContact CE-CG 3.57Å; M329-P465 HydrophobicContact CG-CG 4.2Å; M329-P465 WeakPolarHBondContact O-CD 3.41Å; D463-P465 WeakPolarHBondContact O-CD 3.29Å; P465-S469 WeakPolarHBondContact CB-OG 3.2Å
466N86Confident90.8Very high12 Ų1212.4 Ų12.46%0.0646%0.063CC..  trans-84.1-175174.685.59.3000111.9E369 A370 L372 N468 S469E369-N466 VanDerWaalsContact CB-ND2 3.28Å; E369-N466 WeakPolarHBondContact CB-ND2 3.46Å; E369-N466 PolarHBondContact OE2-ND2 3.37Å; A370-N466 WeakPolarHBondContact O-CB 3.48Å; A370-N466 VanDerWaalsContact O-CG 3.31Å; A370-N466 PolarHBondContact O-ND2 2.99Å; L372-N466 HydrophobicContact CD1-CB 4.34Å; L372-N466 HydrophobicContact CD2-CB 3.87Å; L372-N466 HydrophobicContact CG-CB 3.78Å; N466-N468 VanDerWaalsContact C-N 3.31Å; N466-N468 PolarHBondContact O-N 3Å; N466-N468 WeakPolarHBondContact OD1-CA 3.45Å; N466-N468 PolarHBondContact OD1-N 2.72Å; N466-S469 VanDerWaalsContact O-CB 3.28Å; N466-S469 WeakPolarHBondContact O-CB 3.33Å; N466-S469 PolarHBondContact O-N 2.98Å; N466-S469 PolarHBondContact O-OG 2.83Å; N466-S469 PolarHBondContact OD1-N 3.02Å
467T82.1Confident90.8Very high27 Ų2716.5 Ų16.517%0.1668%0.081CC..THydrogen-bonded Turntrans-71.9-20.4-173.959.60000115A472 Y514T467-A472 VanDerWaalsContact O-CB 3.26Å; T467-A472 WeakPolarHBondContact O-CB 3.33Å; T467-Y514 WeakPolarHBondContact CB-O 3.35Å; T467-Y514 WeakPolarHBondContact CG2-O 3.24Å
468N83.3Confident90.9Very high47 Ų4716.3 Ų16.325%0.2518%0.08SC..THydrogen-bonded Turntrans-116.710.3179.6-65.4-49000112.3E369 N466 K473E369-N468 HydrophobicContact CG-CB 3.97Å; E369-N468 WeakPolarHBondContact OE1-CB 3.35Å; E369-N468 PolarHBondContact OE1-ND2 3.29Å; E369-N468 VanDerWaalsContact OE1-ND2 3.14Å; E369-N468 VanDerWaalsContact OE2-CB 3.22Å; E369-N468 WeakPolarHBondContact OE2-CB 3.34Å; E369-N468 PolarHBondContact OE2-ND2 3.03Å; N466-N468 VanDerWaalsContact C-N 3.31Å; N466-N468 PolarHBondContact O-N 3Å; N466-N468 WeakPolarHBondContact OD1-CA 3.45Å; N466-N468 PolarHBondContact OD1-N 2.72Å; N468-K473 PolarHBondContact OD1-NZ 2.86Å
469S88.4Confident91Very high10 Ų1016.3 Ų16.37%0.078%0.08CC..SBendtrans-56.2161173.362.30000111.6P465 N466 E471 A472 K473P465-S469 WeakPolarHBondContact CB-OG 3.2Å; N466-S469 VanDerWaalsContact O-CB 3.28Å; N466-S469 WeakPolarHBondContact O-CB 3.33Å; N466-S469 PolarHBondContact O-N 2.98Å; N466-S469 PolarHBondContact O-OG 2.83Å; N466-S469 PolarHBondContact OD1-N 3.02Å; S469-E471 WeakPolarHBondContact CB-OE2 3.26Å; S469-E471 PolarHBondContact O-N 2.87Å; S469-A472 PolarHBondContact O-N 2.74Å; S469-A472 WeakPolarHBondContact OG-CB 3.26Å; S469-A472 PolarHBondContact OG-N 2.77Å; S469-K473 WeakPolarHBondContact O-CG 3.4Å; S469-K473 PolarHBondContact O-N 2.61Å
470Y90.6Very high91Very high17 Ų1721.4 Ų21.47%0.06710%0.102CC..Hα-helixtrans-55.9-40175.4-63.3-34.1000111.8Y355 G358 K359 V366 P367 S368 M474Y355-Y470 AromaticContact CD2-CD2 3.93Å; Y355-Y470 HydrophobicContact CD2-CD2 3.93Å; Y355-Y470 HydrophobicContact CE1-CD2 4.35Å; Y355-Y470 AromaticContact CE2-CD2 3.66Å; Y355-Y470 HydrophobicContact CE2-CD2 3.66Å; Y355-Y470 HydrophobicContact CE2-CE2 4.31Å; Y355-Y470 HydrophobicContact CG-CD2 4.39Å; Y355-Y470 AromaticContact CZ-CD2 3.9Å; Y355-Y470 WeakPolarHBondContact O-CB 3.28Å; G358-Y470 WeakPolarHBondContact CA-O 3.37Å; K359-Y470 HydrophobicContact CD-CE2 4.33Å; K359-Y470 HydrophobicContact CG-CD1 4.43Å; K359-Y470 HydrophobicContact CG-CD2 3.71Å; K359-Y470 HydrophobicContact CG-CE1 4.37Å; K359-Y470 HydrophobicContact CG-CE2 3.62Å; K359-Y470 HydrophobicContact CG-CG 4.11Å; V366-Y470 HydrophobicContact CB-CD1 3.96Å; V366-Y470 HydrophobicContact CB-CE1 3.79Å; V366-Y470 HydrophobicContact CG1-CD1 3.85Å; V366-Y470 HydrophobicContact CG1-CE1 3.86Å; V366-Y470 WeakPolarHBondContact O-CE1 3.37Å; V366-Y470 PolarHBondContact O-OH 3.22Å; P367-Y470 WeakPolarHBondContact O-CE1 3.42Å; S368-Y470 WeakPolarHBondContact CA-OH 3.32Å; S368-Y470 WeakPolarHBondContact CB-OH 3.37Å; S368-Y470 PolarHBondContact N-OH 2.91Å; Y470-M474 WeakPolarHBondContact O-CB 3.38Å; Y470-M474 PolarHBondContact O-N 2.99Å
471E92.4Very high91Very high7 Ų723.7 Ų23.73%0.03312%0.119CC..Hα-helixtrans-59.7-53.1176.4-60.990.4148.100111.4M329 T331 N352 Y355 S469 K473 M474 L475M329-E471 HydrophobicContact CE-CB 3.45Å; M329-E471 VanDerWaalsContact CE-CB 3.45Å; M329-E471 HydrophobicContact CE-CG 4.25Å; M329-E471 HydrophobicContact SD-CB 4.11Å; T331-E471 WeakPolarHBondContact CB-OE1 3.08Å; T331-E471 WeakPolarHBondContact CG2-OE1 3.45Å; T331-E471 PolarHBondContact OG1-OE1 2.95Å; N352-E471 WeakPolarHBondContact ND2-CG 3.26Å; Y355-E471 WeakPolarHBondContact CD2-OE1 3.38Å; S469-E471 WeakPolarHBondContact CB-OE2 3.26Å; S469-E471 PolarHBondContact O-N 2.87Å; E471-K473 PolarHBondContact O-N 3.06Å; E471-M474 PolarHBondContact O-N 3.01Å; E471-M474 VanDerWaalsContact O-N 3.15Å; E471-L475 WeakPolarHBondContact O-CG 2.92Å; E471-L475 PolarHBondContact O-N 2.64Å
472A90.3Very high91.1Very high5 Ų523.9 Ų23.94%0.04112%0.119CC..Hα-helixtrans-61-42.9-179.300000112T467 S469 M474 L475 E476 Y514T467-A472 VanDerWaalsContact O-CB 3.26Å; T467-A472 WeakPolarHBondContact O-CB 3.33Å; S469-A472 PolarHBondContact O-N 2.74Å; S469-A472 WeakPolarHBondContact OG-CB 3.26Å; S469-A472 PolarHBondContact OG-N 2.77Å; A472-M474 VanDerWaalsContact C-N 3.32Å; A472-M474 PolarHBondContact O-N 2.97Å; A472-L475 PolarHBondContact O-N 3.13Å; A472-E476 WeakPolarHBondContact O-CB 3.27Å; A472-E476 PolarHBondContact O-N 3.22Å; A472-Y514 HydrophobicContact CB-CD1 4.26Å
473K91.1Very high91Very high48 Ų4825.8 Ų25.821%0.20913%0.13CC..Hα-helixtrans-66.2-34.3176.5-62.1-50.8-173.7-157.20112.6I361 V366 N468 S469 E471 K477I361-K473 HydrophobicContact CD1-CB 3.42Å; I361-K473 VanDerWaalsContact CD1-CB 3.42Å; V366-K473 HydrophobicContact CG1-CG 4.29Å; N468-K473 PolarHBondContact OD1-NZ 2.86Å; S469-K473 WeakPolarHBondContact O-CG 3.4Å; S469-K473 PolarHBondContact O-N 2.61Å; E471-K473 PolarHBondContact O-N 3.06Å; K473-K477 PolarHBondContact O-N 3.11Å
474M93.3Very high90.9Very high7 Ų732.8 Ų32.83%0.03417%0.166CC..Hα-helixtrans-70.7-41.4175.9-17162.4-150.900111.5Y354 Q357 Y470 E471 A472 K477 L478Y354-M474 HydrophobicContact CD1-CG 4.16Å; Q357-M474 HydrophobicContact CB-CE 4.35Å; Q357-M474 HydrophobicContact CB-CG 4.01Å; Q357-M474 HydrophobicContact CB-SD 3.78Å; Y470-M474 WeakPolarHBondContact O-CB 3.38Å; Y470-M474 PolarHBondContact O-N 2.99Å; E471-M474 PolarHBondContact O-N 3.01Å; E471-M474 VanDerWaalsContact O-N 3.15Å; A472-M474 VanDerWaalsContact C-N 3.32Å; A472-M474 PolarHBondContact O-N 2.97Å; M474-K477 HydrophobicContact CE-CD 3.95Å; M474-K477 WeakPolarHBondContact O-CB 2.74Å; M474-K477 PolarHBondContact O-N 3.23Å; M474-K477 HydrophobicContact SD-CD 3.84Å; M474-L478 HydrophobicContact CE-CD1 4.26Å; M474-L478 HydrophobicContact CE-CD2 3.63Å; M474-L478 HydrophobicContact CE-CG 3.76Å; M474-L478 WeakPolarHBondContact O-CG 3.26Å; M474-L478 PolarHBondContact O-N 3.02Å
475L93.3Very high90.9Very high0 Ų034.7 Ų34.70%018%0.175CC..Hα-helixtrans-59.7-46.1172.9-68.8177.2000111L257 M329 Y354 E471 A472 K477 L478 V479L257-L475 HydrophobicContact CD1-CD2 3.57Å; M329-L475 HydrophobicContact CE-CD1 4.13Å; M329-L475 HydrophobicContact SD-CD1 4.31Å; Y354-L475 HydrophobicContact CD1-CD2 4.18Å; Y354-L475 HydrophobicContact CD2-CD2 4.2Å; Y354-L475 HydrophobicContact CE1-CD2 4.08Å; Y354-L475 HydrophobicContact CE2-CD2 4.09Å; Y354-L475 HydrophobicContact CG-CD2 4.25Å; E471-L475 WeakPolarHBondContact O-CG 2.92Å; E471-L475 PolarHBondContact O-N 2.64Å; A472-L475 PolarHBondContact O-N 3.13Å; L475-K477 VanDerWaalsContact C-N 3.29Å; L475-K477 PolarHBondContact O-N 3.06Å; L475-L478 PolarHBondContact O-N 3.2Å; L475-L478 VanDerWaalsContact O-N 3.11Å; L475-V479 WeakPolarHBondContact O-CG2 3.23Å; L475-V479 PolarHBondContact O-N 3.01Å
476E93Very high90.8Very high43 Ų4340 Ų4020%0.20120%0.198CC..Hα-helixtrans-55.1-43.9174.6-178.7-176.4-179.200111.9A472 K480 V511A472-E476 WeakPolarHBondContact O-CB 3.27Å; A472-E476 PolarHBondContact O-N 3.22Å; E476-K480 HydrophobicContact CG-CD 4.19Å; E476-K480 WeakPolarHBondContact O-CB 3.31Å; E476-K480 VanDerWaalsContact O-CG 3.28Å; E476-K480 WeakPolarHBondContact O-CG 3.29Å; E476-K480 PolarHBondContact O-N 3.4Å; E476-K480 VanDerWaalsContact OE1-CE 3.27Å; E476-K480 WeakPolarHBondContact OE1-CE 3.23Å; E476-K480 IonicContact OE1-NZ 3.33Å; E476-K480 PolarHBondContact OE1-NZ 3.1Å; E476-V511 HydrophobicContact CB-CG1 4.28Å; E476-V511 HydrophobicContact CB-CG2 4.34Å; E476-V511 HydrophobicContact CG-CG1 3.91Å
477K93.4Very high91Very high91 Ų9143.6 Ų43.640%0.39622%0.224SC..Hα-helixtrans-63.6-43.6176.4-179.5-166.3176.8-171.60112.1I361 K473 M474 L475 S481I361-K477 HydrophobicContact CG2-CD 4.18Å; K473-K477 PolarHBondContact O-N 3.11Å; M474-K477 HydrophobicContact CE-CD 3.95Å; M474-K477 WeakPolarHBondContact O-CB 2.74Å; M474-K477 PolarHBondContact O-N 3.23Å; M474-K477 HydrophobicContact SD-CD 3.84Å; L475-K477 VanDerWaalsContact C-N 3.29Å; L475-K477 PolarHBondContact O-N 3.06Å; K477-S481 PolarHBondContact O-N 3.48Å
478L94.8Very high91.3Very high18 Ų1849 Ų499%0.09425%0.247CC..Hα-helixtrans-64.8-46.4179-68.3177.2000111V250 L254 Y354 M474 L475 K480 S481 L482V250-L478 HydrophobicContact CG1-CB 4.32Å; V250-L478 HydrophobicContact CG1-CD2 4.13Å; V250-L478 HydrophobicContact CG2-CD2 4.12Å; L254-L478 HydrophobicContact CD1-CB 4.06Å; L254-L478 HydrophobicContact CD2-CB 4.33Å; Y354-L478 HydrophobicContact CD1-CD1 4.14Å; Y354-L478 HydrophobicContact CE1-CD1 3.74Å; M474-L478 HydrophobicContact CE-CD1 4.26Å; M474-L478 HydrophobicContact CE-CD2 3.63Å; M474-L478 HydrophobicContact CE-CG 3.76Å; M474-L478 WeakPolarHBondContact O-CG 3.26Å; M474-L478 PolarHBondContact O-N 3.02Å; L475-L478 PolarHBondContact O-N 3.2Å; L475-L478 VanDerWaalsContact O-N 3.11Å; L478-K480 PolarHBondContact O-N 2.99Å; L478-S481 WeakPolarHBondContact O-CB 3.17Å; L478-S481 PolarHBondContact O-N 2.85Å; L478-S481 VanDerWaalsContact O-N 3.11Å; L478-S481 PolarHBondContact O-OG 2.99Å; L478-L482 PolarHBondContact O-N 2.91Å
479V95.8Very high91.7Very high0 Ų048.4 Ų48.40%025%0.245CC..Hα-helixtrans-58-50.3176171.80000110.6L254 L475 S481 L482 L483 I506 Q507 L510 V511L254-V479 HydrophobicContact CD1-CG2 4.24Å; L254-V479 HydrophobicContact CD2-CG2 4.39Å; L475-V479 WeakPolarHBondContact O-CG2 3.23Å; L475-V479 PolarHBondContact O-N 3.01Å; V479-S481 PolarHBondContact O-N 2.99Å; V479-L482 PolarHBondContact O-N 2.94Å; V479-L483 HydrophobicContact CG1-CD1 4.47Å; V479-L483 PolarHBondContact O-N 3.43Å; V479-L483 VanDerWaalsContact O-N 3.12Å; V479-I506 HydrophobicContact CG1-CD1 4.08Å; V479-I506 HydrophobicContact CG1-CG1 4.01Å; V479-I506 HydrophobicContact CG2-CB 4.26Å; V479-I506 HydrophobicContact CG2-CD1 4.23Å; V479-I506 HydrophobicContact CG2-CG1 4.33Å; V479-Q507 HydrophobicContact CG1-CB 4.41Å; V479-L510 HydrophobicContact CG2-CB 4.2Å; V479-L510 HydrophobicContact CG2-CD1 4.37Å; V479-V511 HydrophobicContact CB-CG2 3.97Å; V479-V511 HydrophobicContact CG1-CG2 4.04Å; V479-V511 HydrophobicContact CG2-CG2 3.97Å
480K94.5Very high91.9Very high106 Ų10649.8 Ų49.846%0.46125%0.252SS..Hα-helixtrans-59.1-31.9177-74.4178.3-175.7176.50113.3E476 L478 L482 L483E476-K480 HydrophobicContact CG-CD 4.19Å; E476-K480 WeakPolarHBondContact O-CB 3.31Å; E476-K480 VanDerWaalsContact O-CG 3.28Å; E476-K480 WeakPolarHBondContact O-CG 3.29Å; E476-K480 PolarHBondContact O-N 3.4Å; E476-K480 VanDerWaalsContact OE1-CE 3.27Å; E476-K480 WeakPolarHBondContact OE1-CE 3.23Å; E476-K480 IonicContact OE1-NZ 3.33Å; E476-K480 PolarHBondContact OE1-NZ 3.1Å; L478-K480 PolarHBondContact O-N 2.99Å; K480-L482 VanDerWaalsContact C-N 3.3Å; K480-L482 PolarHBondContact O-N 3.43Å; K480-L483 PolarHBondContact O-N 2.78Å
481S93.8Very high91.8Very high49 Ų4949 Ų4934%0.34325%0.249SC..Hα-helixtrans-67-31.6177820000112.8K477 L478 V479K477-S481 PolarHBondContact O-N 3.48Å; L478-S481 WeakPolarHBondContact O-CB 3.17Å; L478-S481 PolarHBondContact O-N 2.85Å; L478-S481 VanDerWaalsContact O-N 3.11Å; L478-S481 PolarHBondContact O-OG 2.99Å; V479-S481 PolarHBondContact O-N 2.99Å
482L94.5Very high91.5Very high3 Ų354.6 Ų54.62%0.01628%0.279CS..Hα-helixtrans-81.1-29.2175.9-63.2-166.4000112.7V250 V251 L254 L478 V479 K480 L484 H485 L490 W499 F502 L503 I506V250-L482 HydrophobicContact CG1-CD1 4.37Å; V250-L482 HydrophobicContact CG1-CD2 4.09Å; V250-L482 HydrophobicContact CG1-CG 4.21Å; V251-L482 HydrophobicContact CG2-CD1 4.03Å; V251-L482 HydrophobicContact CG2-CD2 4.02Å; L254-L482 HydrophobicContact CB-CD1 4.49Å; L254-L482 HydrophobicContact CD1-CD1 3.53Å; L254-L482 HydrophobicContact CD1-CG 4.06Å; L478-L482 PolarHBondContact O-N 2.91Å; V479-L482 PolarHBondContact O-N 2.94Å; K480-L482 VanDerWaalsContact C-N 3.3Å; K480-L482 PolarHBondContact O-N 3.43Å; L482-L484 PolarHBondContact O-N 3.49Å; L482-H485 WeakPolarHBondContact O-CA 3.26Å; L482-H485 WeakPolarHBondContact O-CB 3.34Å; L482-H485 PolarHBondContact O-N 2.8Å; L482-L490 HydrophobicContact CD2-CD1 3.79Å; L482-W499 HydrophobicContact CB-CH2 4.49Å; L482-W499 HydrophobicContact CD1-CH2 4.18Å; L482-F502 HydrophobicContact CD1-CE1 4.18Å; L482-L503 HydrophobicContact CB-CD2 3.81Å; L482-I506 HydrophobicContact CD1-CD1 4.34Å
483L91.2Very high91.3Very high44 Ų4459.9 Ų59.923%0.2330%0.299CS..G310 helixtrans-61.8-15.4175.6-67.3177.8000113.8V479 K480 H485 K486 L503V479-L483 HydrophobicContact CG1-CD1 4.47Å; V479-L483 PolarHBondContact O-N 3.43Å; V479-L483 VanDerWaalsContact O-N 3.12Å; K480-L483 PolarHBondContact O-N 2.78Å; L483-H485 PolarHBondContact O-N 2.95Å; L483-K486 WeakPolarHBondContact O-CG 3.4Å; L483-L503 HydrophobicContact CD2-CB 4.19Å; L483-L503 HydrophobicContact CD2-CD2 4.45Å
484L88.9Confident91.4Very high148 Ų14858.2 Ų58.278%0.77529%0.292SS*.G310 helixtrans-74-11.4171-61.4175000113.1L482L482-L484 PolarHBondContact O-N 3.49Å
485H89.5Confident91.4Very high44 Ų4464.2 Ų64.220%0.20432%0.32CS..G310 helixtrans-113.225.5-175.5-68.5-72.2000112.9K247 L482 L483 S487 H488 L490 W499K247-H485 PolarHBondContact NZ-CE1 2.59Å; K247-H485 PolarHBondContact NZ-NE2 3.48Å; L482-H485 WeakPolarHBondContact O-CA 3.26Å; L482-H485 WeakPolarHBondContact O-CB 3.34Å; L482-H485 PolarHBondContact O-N 2.8Å; L483-H485 PolarHBondContact O-N 2.95Å; H485-S487 VanDerWaalsContact C-N 3.28Å; H485-S487 PolarHBondContact O-N 3.22Å; H485-H488 CarbonylContact O-C 3.58Å; H485-H488 PolarHBondContact O-N 3.22Å; H485-H488 VanDerWaalsContact O-O 3.1Å; H485-L490 HydrophobicContact CB-CG 4.44Å; H485-W499 HydrophobicContact CB-CZ2 4.26Å; H485-W499 PolarHBondContact O-NE1 3.11Å
486K86.9Confident91.4Very high114 Ų11468.2 Ų68.250%0.49634%0.341SS..THydrogen-bonded Turntrans-51.2-41.8-178.1-77.4176.9-178.7-160.20114.3L483 N500 L503L483-K486 WeakPolarHBondContact O-CG 3.4Å; K486-N500 PolarHBondContact O-OD1 2.84Å; K486-L503 HydrophobicContact CB-CD1 4.38Å; K486-L503 HydrophobicContact CG-CD1 3.77Å
487S89.2Confident91.5Very high88 Ų8873 Ų7362%0.61536%0.363SS*.THydrogen-bonded Turntrans-84.6-5.6-176.7-480000114.6H485H485-S487 VanDerWaalsContact C-N 3.28Å; H485-S487 PolarHBondContact O-N 3.22Å
488H90.1Very high91.6Very high139 Ų13973 Ų7364%0.64437%0.366SS*.SBendtrans-142.396.8-171.8-62.2-58.6000110.6H485 L490H485-H488 CarbonylContact O-C 3.58Å; H485-H488 PolarHBondContact O-N 3.22Å; H485-H488 VanDerWaalsContact O-O 3.1Å; H488-L490 PolarHBondContact O-N 2.85Å
489P91.3Very high91.7Very high35 Ų3572.1 Ų72.123%0.22736%0.362CS..  trans-53.3135.1172.3-2433.7000110.7L496 W499P489-L496 HydrophobicContact CG-CD1 4.14Å; P489-W499 HydrophobicContact CB-CB 4.13Å; P489-W499 HydrophobicContact CB-CD2 4.17Å; P489-W499 HydrophobicContact CB-CG 3.97Å; P489-W499 HydrophobicContact CG-CB 3.79Å; P489-W499 HydrophobicContact CG-CG 3.82Å
490L91.3Very high91.7Very high39 Ų3975.3 Ų75.320%0.20438%0.379CS..SBendtrans-85.4-24.3177.8-66.6169.1000112.1K247 V251 L482 H485 H488 W499K247-L490 HydrophobicContact CB-CD1 4.2Å; V251-L490 HydrophobicContact CG2-CB 3.93Å; V251-L490 HydrophobicContact CG2-CD1 3.79Å; V251-L490 HydrophobicContact CG2-CG 4.49Å; L482-L490 HydrophobicContact CD2-CD1 3.79Å; H485-L490 HydrophobicContact CB-CG 4.44Å; H488-L490 PolarHBondContact O-N 2.85Å; L490-W499 HydrophobicContact CD1-CH2 4.35Å
491D89.3Confident91.8Very high0 Ų074.9 Ų74.90%038%0.382CS..SBendtrans-87.2114.8164.6-174.1-18.2000108T162 T164 L248 Y493 M494T162-D491 VanDerWaalsContact CB-OD2 3.3Å; T162-D491 WeakPolarHBondContact CB-OD2 3.46Å; T164-D491 VanDerWaalsContact CB-OD2 3.31Å; T164-D491 WeakPolarHBondContact CB-OD2 3.09Å; T164-D491 PolarHBondContact N-OD2 3.38Å; T164-D491 VanDerWaalsContact N-OD2 3.16Å; T164-D491 PolarHBondContact OG1-OD2 3.43Å; L248-D491 HydrophobicContact CD1-CB 4.48Å; D491-Y493 PolarHBondContact O-N 3.39Å; D491-Y493 PolarHBondContact OD1-N 2.88Å; D491-M494 HydrophobicContact CB-CB 4.02Å; D491-M494 PolarHBondContact O-N 3.28Å; D491-M494 VanDerWaalsContact O-N 3.17Å
492N86Confident91.9Very high125 Ų12573.3 Ų73.367%0.66837%0.369SS*.THydrogen-bonded Turntrans-66.5-20.1-176-71.7-17000113.1
493Y87.2Confident92Very high117 Ų11773.4 Ų73.446%0.45937%0.369SS..THydrogen-bonded Turntrans-89.5-7.7179.1-61.3-75.1000112.6I142 T164 E165 D491I142-Y493 HydrophobicContact CD1-CD1 4.43Å; I142-Y493 HydrophobicContact CD1-CE1 4.17Å; T164-Y493 VanDerWaalsContact CG2-CB 3.45Å; E165-Y493 HydrophobicContact CG-CD2 3.85Å; E165-Y493 HydrophobicContact CG-CE2 3.58Å; E165-Y493 WeakPolarHBondContact OE1-CE2 3.34Å; D491-Y493 PolarHBondContact O-N 3.39Å; D491-Y493 PolarHBondContact OD1-N 2.88Å
494M91.4Very high92.2Very high13 Ų1377.9 Ų77.96%0.06439%0.389CS..SBendtrans-89.1119.9179.7-167.3173.5-64.100110.4F163 D491 I498 W499F163-M494 HydrophobicContact CD1-CE 4.26Å; D491-M494 HydrophobicContact CB-CB 4.02Å; D491-M494 PolarHBondContact O-N 3.28Å; D491-M494 VanDerWaalsContact O-N 3.17Å; M494-I498 HydrophobicContact CG-CB 4.14Å; M494-I498 HydrophobicContact CG-CG2 3.89Å; M494-I498 HydrophobicContact SD-CG2 4.26Å; M494-W499 HydrophobicContact CG-CB 4.28Å; M494-W499 HydrophobicContact SD-CB 4.15Å; M494-W499 HydrophobicContact SD-CE3 3.68Å
495E93.5Very high92.5Very high132 Ų13271.6 Ų71.662%0.61736%0.358SS*.  trans-63.1149.9175.4-62.6-175.5172.700111.2E497 I498 W499E495-E497 VanDerWaalsContact C-N 3.26Å; E495-E497 PolarHBondContact O-N 3.16Å; E495-I498 HydrophobicContact CB-CD1 4.15Å; E495-I498 PolarHBondContact O-N 2.92Å; E495-I498 HydrophobicContact CB-CG1 4.31Å; E495-I498 HydrophobicContact CG-CD1 4.48Å; E495-W499 WeakPolarHBondContact O-CB 3.26Å; E495-W499 PolarHBondContact O-N 3.43Å
496L94.3Very high92.9Very high85 Ų8569.5 Ų69.545%0.44535%0.348SS..Hα-helixtrans-61-34.6-175-179.463.7000112.8P489 N500P489-L496 HydrophobicContact CG-CD1 4.14Å; L496-N500 PolarHBondContact O-N 3.4Å; L496-N500 PolarHBondContact O-ND2 3.17Å
497E95.3Very high93.2Very high143 Ų14366.2 Ų66.267%0.66833%0.334SS*.Hα-helixtrans-64.7-52.6176.5-173.2169.6-172.600110.8E495 W499 N500 D501E495-E497 VanDerWaalsContact C-N 3.26Å; E495-E497 PolarHBondContact O-N 3.16Å; E497-W499 VanDerWaalsContact C-N 3.25Å; E497-W499 PolarHBondContact O-N 3Å; E497-N500 PolarHBondContact O-N 2.89Å; E497-D501 PolarHBondContact O-N 3.2Å
498I95.1Very high93.4Very high90 Ų9065.1 Ų65.146%0.46232%0.324SS..Hα-helixtrans-57.1-40.2175.8-59.1174.6000111.2M494 E495 D501 F502M494-I498 HydrophobicContact CG-CB 4.14Å; M494-I498 HydrophobicContact CG-CG2 3.89Å; M494-I498 HydrophobicContact SD-CG2 4.26Å; E495-I498 HydrophobicContact CB-CD1 4.15Å; E495-I498 PolarHBondContact O-N 2.92Å; E495-I498 HydrophobicContact CB-CG1 4.31Å; E495-I498 HydrophobicContact CG-CD1 4.48Å; I498-D501 PolarHBondContact O-N 3.34Å; I498-F502 VanDerWaalsContact O-CB 3.25Å; I498-F502 WeakPolarHBondContact O-CB 3.29Å; I498-F502 PolarHBondContact O-N 3.27Å
499W96.5Very high93.5Very high0 Ų061.1 Ų61.10%030%0.303CS..Hα-helixtrans-62.6-42.9176174.9-110.6000112.4V251 L482 H485 P489 L490 M494 E495 E497 F502 L503V251-W499 HydrophobicContact CG1-CZ3 3.92Å; V251-W499 HydrophobicContact CG2-CH2 3.89Å; V251-W499 HydrophobicContact CG2-CZ3 4.03Å; L482-W499 HydrophobicContact CB-CH2 4.49Å; L482-W499 HydrophobicContact CD1-CH2 4.18Å; H485-W499 HydrophobicContact CB-CZ2 4.26Å; H485-W499 PolarHBondContact O-NE1 3.11Å; P489-W499 HydrophobicContact CB-CB 4.13Å; P489-W499 HydrophobicContact CB-CD2 4.17Å; P489-W499 HydrophobicContact CB-CG 3.97Å; P489-W499 HydrophobicContact CG-CB 3.79Å; P489-W499 HydrophobicContact CG-CG 3.82Å; L490-W499 HydrophobicContact CD1-CH2 4.35Å; M494-W499 HydrophobicContact CG-CB 4.28Å; M494-W499 HydrophobicContact SD-CB 4.15Å; M494-W499 HydrophobicContact SD-CE3 3.68Å; E495-W499 WeakPolarHBondContact O-CB 3.26Å; E495-W499 PolarHBondContact O-N 3.43Å; E497-W499 VanDerWaalsContact C-N 3.25Å; E497-W499 PolarHBondContact O-N 3Å; W499-F502 AromaticContact CE3-CD1 3.71Å; W499-F502 PolarHBondContact O-N 2.98Å; W499-F502 WeakPolarHBondContact O-CB 3.49Å; W499-F502 HydrophobicContact CZ3-CE1 3.66Å; W499-F502 AromaticContact CZ3-CE1 3.66Å; W499-F502 HydrophobicContact CZ3-CD1 3.7Å; W499-F502 AromaticContact CZ3-CD1 3.7Å; W499-F502 HydrophobicContact CH2-CE1 4.27Å; W499-F502 HydrophobicContact CE3-CE1 4.17Å; W499-F502 HydrophobicContact CE3-CD1 3.71Å; W499-L503 HydrophobicContact CD2-CD1 4.43Å; W499-L503 PolarHBondContact O-N 2.76Å; W499-L503 WeakPolarHBondContact O-CG 3.21Å; W499-L503 VanDerWaalsContact O-CG 3.31Å; W499-L503 HydrophobicContact CZ2-CG 4.16Å; W499-L503 HydrophobicContact CZ2-CD1 4.08Å; W499-L503 HydrophobicContact CH2-CD2 4.15Å; W499-L503 HydrophobicContact CD2-CG 4.29Å; W499-L503 HydrophobicContact CZ2-CD2 3.86Å
500N95.6Very high93.5Very high67 Ų6759.5 Ų59.536%0.35829%0.293SS..Hα-helixtrans-66.7-43.9178.4-74.1-43.5000111.7K486 L496 E497 F502 L503 E504K486-N500 PolarHBondContact O-OD1 2.84Å; L496-N500 PolarHBondContact O-N 3.4Å; L496-N500 PolarHBondContact O-ND2 3.17Å; E497-N500 PolarHBondContact O-N 2.89Å; N500-F502 VanDerWaalsContact C-N 3.3Å; N500-F502 PolarHBondContact O-N 3.07Å; N500-L503 PolarHBondContact O-N 3.08Å; N500-E504 PolarHBondContact O-N 3.13Å
501D96.1Very high93.5Very high98 Ų9858 Ų5852%0.52429%0.285SS..Hα-helixtrans-61.1-42.1175.5-70.2-8.4000111.1E497 I498 E504 S505E497-D501 PolarHBondContact O-N 3.2Å; I498-D501 PolarHBondContact O-N 3.34Å; D501-E504 PolarHBondContact O-N 3.08Å; D501-S505 VanDerWaalsContact O-CB 3.25Å; D501-S505 PolarHBondContact O-N 2.9Å; D501-S505 WeakPolarHBondContact O-CB 3.33Å
502F96.3Very high93.5Very high16 Ų1660.3 Ų60.37%0.0730%0.297CS..Hα-helixtrans-58.7-48.5173.5164.6-111.5000111.8L254 C255 N258 L482 I498 W499 N500 E504 S505 I506L254-F502 HydrophobicContact CB-CZ 3.94Å; C255-F502 HydrophobicContact CB-CE2 4.15Å; C255-F502 HydrophobicContact CB-CZ 4.46Å; C255-F502 WeakPolarHBondContact SG-CE2 3.49Å; C255-F502 WeakPolarHBondContact SG-CZ 3.42Å; N258-F502 HydrophobicContact CB-CE2 4.28Å; L482-F502 HydrophobicContact CD1-CE1 4.18Å; I498-F502 VanDerWaalsContact O-CB 3.25Å; I498-F502 WeakPolarHBondContact O-CB 3.29Å; I498-F502 PolarHBondContact O-N 3.27Å; W499-F502 AromaticContact CE3-CD1 3.71Å; W499-F502 PolarHBondContact O-N 2.98Å; W499-F502 WeakPolarHBondContact O-CB 3.49Å; W499-F502 HydrophobicContact CZ3-CE1 3.66Å; W499-F502 AromaticContact CZ3-CE1 3.66Å; W499-F502 HydrophobicContact CZ3-CD1 3.7Å; W499-F502 AromaticContact CZ3-CD1 3.7Å; W499-F502 HydrophobicContact CH2-CE1 4.27Å; W499-F502 HydrophobicContact CE3-CE1 4.17Å; W499-F502 HydrophobicContact CE3-CD1 3.71Å; N500-F502 VanDerWaalsContact C-N 3.3Å; N500-F502 PolarHBondContact O-N 3.07Å; F502-E504 VanDerWaalsContact C-N 3.34Å; F502-E504 PolarHBondContact O-N 2.98Å; F502-S505 PolarHBondContact O-N 3.42Å; F502-I506 PolarHBondContact O-N 3.18Å; F502-I506 WeakPolarHBondContact O-CG1 3.32Å; F502-I506 HydrophobicContact CZ-CG2 3.73Å; F502-I506 HydrophobicContact CE2-CG2 3.24Å; F502-I506 HydrophobicContact CE2-CD1 4.46Å; F502-I506 HydrophobicContact CZ-CD1 3.94Å; F502-I506 HydrophobicContact CD2-CG2 3.83Å; F502-I506 HydrophobicContact CE1-CD1 4.05Å
503L97Very high93Very high5 Ų556.3 Ų56.33%0.02628%0.279CS..Hα-helixtrans-61.4-39.2179.2-73.5-177.2000112.6L482 L483 K486 W499 N500 I506 Q507L482-L503 HydrophobicContact CB-CD2 3.81Å; L483-L503 HydrophobicContact CD2-CB 4.19Å; L483-L503 HydrophobicContact CD2-CD2 4.45Å; K486-L503 HydrophobicContact CB-CD1 4.38Å; K486-L503 HydrophobicContact CG-CD1 3.77Å; W499-L503 HydrophobicContact CD2-CD1 4.43Å; W499-L503 PolarHBondContact O-N 2.76Å; W499-L503 WeakPolarHBondContact O-CG 3.21Å; W499-L503 VanDerWaalsContact O-CG 3.31Å; W499-L503 HydrophobicContact CZ2-CG 4.16Å; W499-L503 HydrophobicContact CZ2-CD1 4.08Å; W499-L503 HydrophobicContact CH2-CD2 4.15Å; W499-L503 HydrophobicContact CD2-CG 4.29Å; W499-L503 HydrophobicContact CZ2-CD2 3.86Å; N500-L503 PolarHBondContact O-N 3.08Å; L503-I506 HydrophobicContact CD2-CD1 3.95Å; L503-I506 VanDerWaalsContact O-CG1 3.24Å; L503-I506 WeakPolarHBondContact O-CG1 3.18Å; L503-Q507 PolarHBondContact O-N 3.35Å
504E95.7Very high92.1Very high137 Ų13751 Ų5164%0.6426%0.258SS*.Hα-helixtrans-67.7-42.6174.7-176.9171.3178.200111.6N500 D501 F502 Q507 T508N500-E504 PolarHBondContact O-N 3.13Å; D501-E504 PolarHBondContact O-N 3.08Å; F502-E504 VanDerWaalsContact C-N 3.34Å; F502-E504 PolarHBondContact O-N 2.98Å; E504-Q507 PolarHBondContact O-N 3.18Å; E504-T508 WeakPolarHBondContact O-CB 3.29Å; E504-T508 PolarHBondContact O-N 3.31Å; E504-T508 PolarHBondContact O-OG1 3.15Å
505S95.8Very high90.7Very high17 Ų1755.1 Ų55.112%0.11928%0.28CS..Hα-helixtrans-62.3-45.8178.9-177.40000112.3N258 D501 F502 Q507 T508 R509N258-S505 VanDerWaalsContact CG-OG 3.28Å; N258-S505 PolarHBondContact ND2-OG 3.49Å; N258-S505 PolarHBondContact OD1-OG 2.95Å; D501-S505 VanDerWaalsContact O-CB 3.25Å; D501-S505 PolarHBondContact O-N 2.9Å; D501-S505 WeakPolarHBondContact O-CB 3.33Å; F502-S505 PolarHBondContact O-N 3.42Å; S505-Q507 PolarHBondContact O-N 3.1Å; S505-T508 PolarHBondContact O-N 2.89Å; S505-R509 WeakPolarHBondContact O-CB 3.41Å; S505-R509 PolarHBondContact OG-NH2 2.83Å; S505-R509 PolarHBondContact OG-NH1 3.41Å; S505-R509 PolarHBondContact OG-NE 2.83Å; S505-R509 PolarHBondContact O-N 2.95Å; S505-R509 WeakPolarHBondContact O-CG 3.45Å
506I96.1Very high88.8Confident0 Ų057.4 Ų57.40%029%0.288CS..Hα-helixtrans-67.7-35.6178.459.6176.4000112.4L254 N258 V479 L482 F502 L503 T508 L510L254-I506 HydrophobicContact CD1-CD1 4.27Å; N258-I506 HydrophobicContact CB-CG2 3.73Å; V479-I506 HydrophobicContact CG1-CD1 4.08Å; V479-I506 HydrophobicContact CG1-CG1 4.01Å; V479-I506 HydrophobicContact CG2-CB 4.26Å; V479-I506 HydrophobicContact CG2-CD1 4.23Å; V479-I506 HydrophobicContact CG2-CG1 4.33Å; L482-I506 HydrophobicContact CD1-CD1 4.34Å; F502-I506 PolarHBondContact O-N 3.18Å; F502-I506 WeakPolarHBondContact O-CG1 3.32Å; F502-I506 HydrophobicContact CZ-CG2 3.73Å; F502-I506 HydrophobicContact CE2-CG2 3.24Å; F502-I506 HydrophobicContact CE2-CD1 4.46Å; F502-I506 HydrophobicContact CZ-CD1 3.94Å; F502-I506 HydrophobicContact CD2-CG2 3.83Å; F502-I506 HydrophobicContact CE1-CD1 4.05Å; L503-I506 HydrophobicContact CD2-CD1 3.95Å; L503-I506 VanDerWaalsContact O-CG1 3.24Å; L503-I506 WeakPolarHBondContact O-CG1 3.18Å; I506-T508 VanDerWaalsContact C-N 3.31Å; I506-L510 PolarHBondContact O-N 3.29Å; I506-L510 WeakPolarHBondContact O-CB 3.42Å; I506-L510 VanDerWaalsContact O-CB 3.24Å; I506-L510 WeakPolarHBondContact O-CA 3.37Å; I506-L510 HydrophobicContact CB-CG 4.44Å; I506-L510 HydrophobicContact CB-CD1 4.1Å; I506-L510 HydrophobicContact CG2-CD1 4.09Å
507Q95.1Very high86.6Confident44 Ų4461.5 Ų61.521%0.20631%0.305CS..Hα-helixtrans-61.7-45.9173.91796144.900109.8V479 L503 E504 S505 V511 D512V479-Q507 HydrophobicContact CG1-CB 4.41Å; L503-Q507 PolarHBondContact O-N 3.35Å; E504-Q507 PolarHBondContact O-N 3.18Å; S505-Q507 PolarHBondContact O-N 3.1Å; Q507-V511 WeakPolarHBondContact O-CB 3.12Å; Q507-V511 PolarHBondContact O-N 3.22Å; Q507-D512 PolarHBondContact NE2-OD1 2.76Å; Q507-D512 PolarHBondContact O-N 3.37Å
508T92.9Very high86.2Confident66 Ų6657.4 Ų57.441%0.40529%0.287SS..Iπ-helixtrans-65.8-48.2-179.9-57.40000112E504 S505 I506 S513E504-T508 WeakPolarHBondContact O-CB 3.29Å; E504-T508 PolarHBondContact O-N 3.31Å; E504-T508 PolarHBondContact O-OG1 3.15Å; S505-T508 PolarHBondContact O-N 2.89Å; I506-T508 VanDerWaalsContact C-N 3.31Å; T508-S513 WeakPolarHBondContact O-CB 3.09Å; T508-S513 PolarHBondContact O-N 2.99Å
509R91.8Very high85.7Confident55 Ų5555.7 Ų55.721%0.20828%0.277CS..Iπ-helixtrans-89.7-29.3-169.2-64.1-177.1-165.2150.65.4114.7N258 E261 Y262 S505 S513N258-R509 PolarHBondContact ND2-NH1 2.87Å; N258-R509 PolarHBondContact O-NH1 3.46Å; N258-R509 VanDerWaalsContact O-NH1 3.13Å; N258-R509 WeakPolarHBondContact OD1-CD 3.39Å; N258-R509 PolarHBondContact OD1-NH1 3.38Å; E261-R509 HydrophobicContact CB-CB 4.27Å; Y262-R509 VanDerWaalsContact CD2-CZ 3.41Å; Y262-R509 VanDerWaalsContact CE2-NH2 3.35Å; Y262-R509 VanDerWaalsContact CG-CZ 3.47Å; S505-R509 WeakPolarHBondContact O-CB 3.41Å; S505-R509 PolarHBondContact OG-NH2 2.83Å; S505-R509 PolarHBondContact OG-NH1 3.41Å; S505-R509 PolarHBondContact OG-NE 2.83Å; S505-R509 PolarHBondContact O-N 2.95Å; S505-R509 WeakPolarHBondContact O-CG 3.45Å; R509-S513 VanDerWaalsContact C-OG 3.29Å; R509-S513 PolarHBondContact O-OG 3.17Å
510L92.1Very high85.1Confident1 Ų158.8 Ų58.81%0.00529%0.293CS..Iπ-helixtrans-103.6-10.4-177.2-53.6-177.3000113.2L254 L257 E261 V479 I506 Y514L254-L510 HydrophobicContact CD2-CD1 3.74Å; L257-L510 HydrophobicContact CB-CD1 3.99Å; L257-L510 HydrophobicContact CB-CD2 4.16Å; E261-L510 HydrophobicContact CB-CD2 3.94Å; E261-L510 HydrophobicContact CG-CD2 3.56Å; V479-L510 HydrophobicContact CG2-CB 4.2Å; V479-L510 HydrophobicContact CG2-CD1 4.37Å; I506-L510 PolarHBondContact O-N 3.29Å; I506-L510 WeakPolarHBondContact O-CB 3.42Å; I506-L510 VanDerWaalsContact O-CB 3.24Å; I506-L510 WeakPolarHBondContact O-CA 3.37Å; I506-L510 HydrophobicContact CB-CG 4.44Å; I506-L510 HydrophobicContact CB-CD1 4.1Å; I506-L510 HydrophobicContact CG2-CD1 4.09Å; L510-Y514 WeakPolarHBondContact O-CD2 3.33Å
511V90.7Very high84.5Confident7 Ų758.3 Ų58.34%0.04229%0.289CS..Iπ-helixtrans-127.9-60.8-179.3-171.50000111.2E476 V479 Q507 S513 Y514 L515E476-V511 HydrophobicContact CB-CG1 4.28Å; E476-V511 HydrophobicContact CB-CG2 4.34Å; E476-V511 HydrophobicContact CG-CG1 3.91Å; V479-V511 HydrophobicContact CB-CG2 3.97Å; V479-V511 HydrophobicContact CG1-CG2 4.04Å; V479-V511 HydrophobicContact CG2-CG2 3.97Å; Q507-V511 WeakPolarHBondContact O-CB 3.12Å; Q507-V511 PolarHBondContact O-N 3.22Å; V511-S513 PolarHBondContact O-N 3.32Å; V511-Y514 WeakPolarHBondContact O-CA 3.02Å; V511-Y514 WeakPolarHBondContact O-CB 3.31Å; V511-Y514 PolarHBondContact O-N 3.49Å; V511-Y514 VanDerWaalsContact O-N 3.09Å; V511-L515 HydrophobicContact CG1-CD1 4.39Å; V511-L515 PolarHBondContact O-N 3.3Å; V511-L515 VanDerWaalsContact O-N 3.11Å
512D88.1Confident83.8Confident48 Ų4855.8 Ų55.826%0.25727%0.274SS..Iπ-helixtrans-71.1-36-170.7-60.1-14.7000112.8Q507 Y514 L515 K516Q507-D512 PolarHBondContact NE2-OD1 2.76Å; Q507-D512 PolarHBondContact O-N 3.37Å; D512-Y514 PolarHBondContact O-N 3.47Å; D512-L515 PolarHBondContact O-N 3.04Å; D512-K516 PolarHBondContact O-N 2.99Å
513S75.5Confident82.9Confident41 Ų4158.5 Ų58.529%0.28729%0.288SS..Hα-helixtrans-60.8-27.1172.168.90000112.4R327 T508 R509 V511R327-S513 PolarHBondContact NH1-O 3.44Å; T508-S513 WeakPolarHBondContact O-CB 3.09Å; T508-S513 PolarHBondContact O-N 2.99Å; R509-S513 VanDerWaalsContact C-OG 3.29Å; R509-S513 PolarHBondContact O-OG 3.17Å; V511-S513 PolarHBondContact O-N 3.32Å
514Y69Low81.9Confident5 Ų562.3 Ų62.32%0.0231%0.307CS..Hα-helixtrans-78.1-35.9171.7-69.5-98.6000110E261 M329 T467 A472 L510 V511 D512E261-Y514 PolarHBondContact OE1-OH 3.19Å; M329-Y514 HydrophobicContact CE-CE1 4.44Å; T467-Y514 WeakPolarHBondContact CB-O 3.35Å; T467-Y514 WeakPolarHBondContact CG2-O 3.24Å; A472-Y514 HydrophobicContact CB-CD1 4.26Å; L510-Y514 WeakPolarHBondContact O-CD2 3.33Å; V511-Y514 WeakPolarHBondContact O-CA 3.02Å; V511-Y514 WeakPolarHBondContact O-CB 3.31Å; V511-Y514 PolarHBondContact O-N 3.49Å; V511-Y514 VanDerWaalsContact O-N 3.09Å; D512-Y514 PolarHBondContact O-N 3.47Å
515L62.3Low80.9Confident101 Ų10156.5 Ų56.553%0.52928%0.281SS..Hα-helixtrans-75.7-27-178.8-65174.3000115.3V511 D512 Q517V511-L515 HydrophobicContact CG1-CD1 4.39Å; V511-L515 PolarHBondContact O-N 3.3Å; V511-L515 VanDerWaalsContact O-N 3.11Å; D512-L515 PolarHBondContact O-N 3.04Å; L515-Q517 PolarHBondContact O-N 3.03Å
516K53Low79.6Confident180 Ų18059.8 Ų59.878%0.78330%0.295SS*.THydrogen-bonded Turntrans-80.8-5.8-171-77.4-178.3-178.9174.30116D512D512-K516 PolarHBondContact O-N 2.99Å
517Q48.9Very low78.1Confident170 Ų17065.3 Ų65.379%0.79432%0.321SS*.  trans-117.80-173.1-76.2178.4-10.600113.1R327 L515R327-Q517 VanDerWaalsContact NH2-OE1 3.12Å; L515-Q517 PolarHBondContact O-N 3.03Å

Retrieved 517 of 517 residues in 121.6 ms (Link to these results)

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