A0A077Z1S5_TRITR Loading...

2-phosphoxylose phosphatase 1

AlphaFold DB , UniProt , Accession A0A077Z1S5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 547 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
1M42.7Very low57.7Low242 Ų242126.4 Ų126.4100%1.19267%0.674SS**  0104.90-69.6179.5171.500107.6K3M1-K3 PolarHBondContact O-N 3.11Å
2A49.7Very low57.6Low104 Ų104126.3 Ų126.386%0.8666%0.663SS**  trans-65.2126.817600000108.4F4A2-F4 PolarHBondContact O-N 3.37Å; A2-F4 VanDerWaalsContact O-N 3.11Å
3K54.4Low57.5Low208 Ų208120.2 Ų120.290%0.90464%0.642SS**  trans-59.9114.7179.9-77.9178.6174.7177.80108.6M1 D5M1-K3 PolarHBondContact O-N 3.11Å; K3-D5 PolarHBondContact O-N 3.19Å
4F53Low57.1Low178 Ų178121.8 Ų121.878%0.78164%0.641SS**  trans-69.8107.5171.8-156.9-93.1000107A2 P6A2-F4 PolarHBondContact O-N 3.37Å; A2-F4 VanDerWaalsContact O-N 3.11Å; F4-P6 WeakPolarHBondContact O-CD 3.17Å
5D69.6Low56.8Low97 Ų97122.4 Ų122.452%0.51964%0.644SS.*  trans-92.3101.2176.4-175.7-1.2000109.3K3 I7 G8 F9K3-D5 PolarHBondContact O-N 3.19Å; D5-I7 PolarHBondContact O-N 3.23Å; D5-I7 WeakPolarHBondContact OD1-CB 3.49Å; D5-I7 PolarHBondContact OD1-N 3.38Å; D5-G8 PolarHBondContact O-N 2.99Å; D5-F9 PolarHBondContact O-N 3.11Å
6P62.6Low56.3Low80 Ų80122.6 Ų122.652%0.51965%0.645SS.*Hα-helixtrans-63.9-23.6-179.726.5-33.8000112.4F4 F9 V10F4-P6 WeakPolarHBondContact O-CD 3.17Å; P6-F9 PolarHBondContact O-N 3.31Å; P6-V10 WeakPolarHBondContact O-CG2 3.36Å; P6-V10 PolarHBondContact O-N 3.24Å; P6-V10 VanDerWaalsContact O-N 3.11Å
7I64.5Low55.7Low113 Ų113119.6 Ų119.658%0.57963%0.633SS**Hα-helixtrans-71.8-40.5-179.2-56173000109.9D5 F9 V10 L11D5-I7 PolarHBondContact O-N 3.23Å; D5-I7 WeakPolarHBondContact OD1-CB 3.49Å; D5-I7 PolarHBondContact OD1-N 3.38Å; I7-F9 VanDerWaalsContact C-N 3.28Å; I7-F9 PolarHBondContact O-N 2.97Å; I7-V10 PolarHBondContact O-N 3.49Å; I7-L11 HydrophobicContact CG2-CD1 4.1Å; I7-L11 PolarHBondContact O-N 3.39Å
8G59.4Low54.8Low36 Ų36115.9 Ų115.937%0.37163%0.628SS.*Hα-helixtrans-58.9-39.8173.700000112.3D5 F12D5-G8 PolarHBondContact O-N 2.99Å; G8-F12 VanDerWaalsContact O-CB 3.29Å; G8-F12 WeakPolarHBondContact O-CB 3.42Å; G8-F12 PolarHBondContact O-N 3.39Å
9F61.2Low54.3Low145 Ų145120.2 Ų120.264%0.63664%0.635SS**Hα-helixtrans-71.9-37.3179.6-151.4-90.5000112.7D5 P6 I7 F12 A13D5-F9 PolarHBondContact O-N 3.11Å; P6-F9 PolarHBondContact O-N 3.31Å; I7-F9 VanDerWaalsContact C-N 3.28Å; I7-F9 PolarHBondContact O-N 2.97Å; F9-F12 PolarHBondContact O-N 3.34Å; F9-A13 WeakPolarHBondContact O-CB 3.29Å; F9-A13 PolarHBondContact O-N 3.24Å
10V60.8Low53.7Low83 Ų83120.2 Ų120.250%0.50365%0.646SS.*Hα-helixtrans-66.6-44.5174.7174.30000110.6P6 I7 F12 A13 F14P6-V10 WeakPolarHBondContact O-CG2 3.36Å; P6-V10 PolarHBondContact O-N 3.24Å; P6-V10 VanDerWaalsContact O-N 3.11Å; I7-V10 PolarHBondContact O-N 3.49Å; V10-F12 VanDerWaalsContact C-N 3.32Å; V10-F12 PolarHBondContact O-N 3.03Å; V10-A13 PolarHBondContact O-N 3.09Å; V10-F14 HydrophobicContact CG1-CD2 3.79Å; V10-F14 HydrophobicContact CG1-CE2 3.89Å; V10-F14 WeakPolarHBondContact O-CD2 3.4Å; V10-F14 PolarHBondContact O-N 3.2Å
11L56.8Low53.2Low104 Ų104118.1 Ų118.155%0.54564%0.641SS.*Hα-helixtrans-63.4-38.4175.2-79.5164.9000112I7 F14 L15I7-L11 HydrophobicContact CG2-CD1 4.1Å; I7-L11 PolarHBondContact O-N 3.39Å; L11-F14 PolarHBondContact O-N 3.44Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.32Å; L11-L15 PolarHBondContact O-N 3.33Å
12F56.5Low53.7Low126 Ų126112 Ų11255%0.55362%0.62SS**Hα-helixtrans-69.2-36.8176.2-153.4-103.8000112.2G8 F9 V10 L15 L16G8-F12 VanDerWaalsContact O-CB 3.29Å; G8-F12 WeakPolarHBondContact O-CB 3.42Å; G8-F12 PolarHBondContact O-N 3.39Å; F9-F12 PolarHBondContact O-N 3.34Å; V10-F12 VanDerWaalsContact C-N 3.32Å; V10-F12 PolarHBondContact O-N 3.03Å; F12-L15 PolarHBondContact O-N 2.91Å; F12-L16 HydrophobicContact CD1-CD1 3.47Å; F12-L16 VanDerWaalsContact CD1-CD1 3.47Å; F12-L16 HydrophobicContact CD1-CG 3.96Å; F12-L16 HydrophobicContact CE1-CD1 3.4Å; F12-L16 VanDerWaalsContact CE1-CD1 3.4Å; F12-L16 HydrophobicContact CE1-CD2 4.44Å; F12-L16 HydrophobicContact CE1-CG 3.89Å; F12-L16 HydrophobicContact CZ-CD1 4.46Å; F12-L16 VanDerWaalsContact O-CB 3.31Å; F12-L16 WeakPolarHBondContact O-CB 3.46Å; F12-L16 WeakPolarHBondContact O-CG 3.33Å; F12-L16 PolarHBondContact O-N 3.41Å
13A55.9Low54.7Low47 Ų47111.5 Ų111.539%0.38860%0.6SS.*Hα-helixtrans-65.7-39.4172.700000111.7F9 V10 L15 L16 T17F9-A13 WeakPolarHBondContact O-CB 3.29Å; F9-A13 PolarHBondContact O-N 3.24Å; V10-A13 PolarHBondContact O-N 3.09Å; A13-L15 VanDerWaalsContact C-N 3.34Å; A13-L16 PolarHBondContact O-N 2.84Å; A13-T17 PolarHBondContact O-N 3.37Å; A13-T17 PolarHBondContact O-OG1 3.49Å
14F51.7Low56Low142 Ų142103.9 Ų103.962%0.62357%0.569SS**Hα-helixtrans-68.8-29.9173.5-89.8-76.4000113.2V10 L11 T17V10-F14 HydrophobicContact CG1-CD2 3.79Å; V10-F14 HydrophobicContact CG1-CE2 3.89Å; V10-F14 WeakPolarHBondContact O-CD2 3.4Å; V10-F14 PolarHBondContact O-N 3.2Å; L11-F14 PolarHBondContact O-N 3.44Å; F14-T17 WeakPolarHBondContact CA-OG1 3.33Å; F14-T17 PolarHBondContact O-OG1 2.88Å
15L52.8Low57.7Low131 Ų13195.7 Ų95.769%0.68653%0.534SS*.Hα-helixtrans-79.1-31.3173.9-74.5164.9000112.6L11 F12 A13 G18L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.32Å; L11-L15 PolarHBondContact O-N 3.33Å; F12-L15 PolarHBondContact O-N 2.91Å; A13-L15 VanDerWaalsContact C-N 3.34Å; L15-G18 PolarHBondContact O-N 3.44Å; L15-G18 VanDerWaalsContact O-N 3.16Å
16L48.5Very low58.6Low126 Ų12693.2 Ų93.266%0.6652%0.52SS*.Hα-helixtrans-83.5-17.8175.4-77.6178.6000113.8F12 A13 G18F12-L16 HydrophobicContact CD1-CD1 3.47Å; F12-L16 VanDerWaalsContact CD1-CD1 3.47Å; F12-L16 HydrophobicContact CD1-CG 3.96Å; F12-L16 HydrophobicContact CE1-CD1 3.4Å; F12-L16 VanDerWaalsContact CE1-CD1 3.4Å; F12-L16 HydrophobicContact CE1-CD2 4.44Å; F12-L16 HydrophobicContact CE1-CG 3.89Å; F12-L16 HydrophobicContact CZ-CD1 4.46Å; F12-L16 VanDerWaalsContact O-CB 3.31Å; F12-L16 WeakPolarHBondContact O-CB 3.46Å; F12-L16 WeakPolarHBondContact O-CG 3.33Å; F12-L16 PolarHBondContact O-N 3.41Å; A13-L16 PolarHBondContact O-N 2.84Å; L16-G18 PolarHBondContact O-N 3.28Å
17T46.2Very low60.1Low71 Ų7189.4 Ų89.444%0.43650%0.495SS..SBendtrans-7157.3146.360.60000108.2A13 F14 Y19A13-T17 PolarHBondContact O-N 3.37Å; A13-T17 PolarHBondContact O-OG1 3.49Å; F14-T17 WeakPolarHBondContact CA-OG1 3.33Å; F14-T17 PolarHBondContact O-OG1 2.88Å; T17-Y19 VanDerWaalsContact O-CD2 3.29Å; T17-Y19 WeakPolarHBondContact O-CD2 3.43Å; T17-Y19 PolarHBondContact O-N 2.91Å
18G40Very low61.6Low53 Ų5384.1 Ų84.155%0.54647%0.468SS..  trans-5399.8151.200000103.5L15 L16 S20L15-G18 PolarHBondContact O-N 3.44Å; L15-G18 VanDerWaalsContact O-N 3.16Å; L16-G18 PolarHBondContact O-N 3.28Å; G18-S20 PolarHBondContact O-N 2.97Å
19Y45Very low63.4Low197 Ų19782.4 Ų82.477%0.77345%0.45SS*.  trans-55.795169.3-77.5-98.1000103.8T17 S21T17-Y19 VanDerWaalsContact O-CD2 3.29Å; T17-Y19 WeakPolarHBondContact O-CD2 3.43Å; T17-Y19 PolarHBondContact O-N 2.91Å; Y19-S21 PolarHBondContact O-N 2.91Å
20S41.8Very low65.2Low120 Ų12075.5 Ų75.584%0.83942%0.42SS*.  trans-61.175.4146-69.30000103.8G18 C22G18-S20 PolarHBondContact O-N 2.97Å; S20-C22 PolarHBondContact O-N 2.94Å
21S45.1Very low66.8Low78 Ų7871.5 Ų71.555%0.54540%0.396SS..  trans-66.678.8169.2163.10000103.4Y19 Q23Y19-S21 PolarHBondContact O-N 2.91Å; S21-Q23 PolarHBondContact O-N 2.67Å
22C53Low68.7Low112 Ų11266.6 Ų66.676%0.75737%0.37SS*.  trans-60.888.9156.1-171.40000103.6S20 D24S20-C22 PolarHBondContact O-N 2.94Å; C22-D24 PolarHBondContact O-N 2.93Å
23Q69.1Low70.5Confident95 Ų9560.6 Ų60.644%0.44434%0.344SS..PPolyproline II helixtrans-69.5122.5-175.5-147.1166.2-1200105.3S21 L323 P324S21-Q23 PolarHBondContact O-N 2.67Å; Q23-L323 WeakPolarHBondContact O-CD2 3.46Å; Q23-P324 VanDerWaalsContact CD-O 3.32Å; Q23-P324 HydrophobicContact CG-CG 4.12Å; Q23-P324 PolarHBondContact OE1-O 2.84Å
24D81.5Confident72.2Confident47 Ų4760.4 Ų60.425%0.25134%0.335SS..PPolyproline II helixtrans-60.2136.4178.1-67-48.2000108.5C22 M26 R83C22-D24 PolarHBondContact O-N 2.93Å; D24-M26 PolarHBondContact O-N 2.86Å; D24-R83 WeakPolarHBondContact OD2-CB 3.43Å; D24-R83 VanDerWaalsContact OD2-CD 3.24Å; D24-R83 WeakPolarHBondContact OD2-CD 3.31Å; D24-R83 IonicContact OD2-CZ 3.06Å; D24-R83 IonicContact OD2-NE 3.98Å; D24-R83 PolarHBondContact OD2-NE 3.41Å; D24-R83 IonicContact OD2-NH1 2.71Å; D24-R83 PolarHBondContact OD2-NH1 2.91Å; D24-R83 IonicContact OD2-NH2 3.94Å
25P89.7Confident74.1Confident7 Ų753.8 Ų53.85%0.04531%0.307CS..PPolyproline II helixtrans-60.9140.8176.824.3-31.3000109.6L27 Y81 L84 E321 L322 L323P25-L27 VanDerWaalsContact C-N 3.27Å; P25-Y81 HydrophobicContact CG-CD1 3.7Å; P25-Y81 HydrophobicContact CG-CE1 3.83Å; P25-L84 HydrophobicContact CG-CD2 4.3Å; P25-L84 WeakPolarHBondContact O-CD1 3.18Å; P25-E321 HydrophobicContact CB-CB 4.07Å; P25-E321 HydrophobicContact CG-CG 4.43Å; P25-L322 CarbonylContact C-O 3.31Å; P25-L322 VanDerWaalsContact CA-O 3.29Å; P25-L322 WeakPolarHBondContact CA-O 3.33Å; P25-L322 WeakPolarHBondContact CB-O 3.44Å; P25-L323 HydrophobicContact CB-CD2 3.96Å; P25-L323 HydrophobicContact CB-CG 4.42Å
26M88.9Confident75.9Confident45 Ų4548.3 Ų48.322%0.22228%0.278CS..SBendtrans-74.8-22.4175.761.9168.770.300112.3D24 K277 L278 L322 P324 H329D24-M26 PolarHBondContact O-N 2.86Å; M26-K277 HydrophobicContact CG-CG 4.42Å; M26-K277 WeakPolarHBondContact O-CE 3.37Å; M26-K277 HydrophobicContact SD-CG 4.12Å; M26-L278 HydrophobicContact SD-CD2 4.01Å; M26-L322 HydrophobicContact CG-CB 4.29Å; M26-L322 HydrophobicContact CG-CD2 3.93Å; M26-L322 HydrophobicContact CG-CG 3.88Å; M26-L322 VanDerWaalsContact CG-O 3.3Å; M26-L322 WeakPolarHBondContact CG-O 3.49Å; M26-L322 PolarHBondContact N-O 3.36Å; M26-L322 HydrophobicContact SD-CD2 3.79Å; M26-L322 HydrophobicContact SD-CG 4.07Å; M26-P324 HydrophobicContact CE-CB 3.44Å; M26-P324 VanDerWaalsContact CE-CB 3.44Å; M26-P324 HydrophobicContact CE-CG 3.97Å; M26-H329 VanDerWaalsContact CE-CD2 3.46Å; M26-H329 WeakPolarHBondContact CE-CD2 3.29Å
27L93.1Very high77.8Confident0 Ų043.2 Ų43.20%025%0.254CS..EExtended strand (participates in β ladder)trans-146132177.7170.472000109.3P25 Q29 N273 M274 K277 K287 F289 L322P25-L27 VanDerWaalsContact C-N 3.27Å; L27-Q29 HydrophobicContact CD1-CG 4.25Å; L27-Q29 HydrophobicContact CD2-CG 4.23Å; L27-Q29 HydrophobicContact CG-CG 4.05Å; L27-N273 HydrophobicContact CD2-CB 4.46Å; L27-M274 HydrophobicContact CD2-CB 4.45Å; L27-M274 HydrophobicContact CD2-CG 4Å; L27-K277 HydrophobicContact CB-CD 4.41Å; L27-K277 HydrophobicContact CB-CG 4.03Å; L27-K277 HydrophobicContact CD2-CB 4.08Å; L27-K277 HydrophobicContact CD2-CG 4.47Å; L27-K287 WeakPolarHBondContact CA-O 3.24Å; L27-F289 HydrophobicContact CD1-CD2 3.7Å; L27-F289 HydrophobicContact CD1-CE2 3.76Å; L27-L322 HydrophobicContact CB-CB 4.04Å; L27-L322 HydrophobicContact CB-CD2 4.2Å; L27-L322 HydrophobicContact CD2-CD2 4.25Å; L27-L322 PolarHBondContact O-N 2.99Å
28L96.8Very high79.7Confident1 Ų140.1 Ų40.11%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-117.5130.7173.1179.463.4000109.3L30 V77 Y81 L84 K287 L288 F289 E321 F334L28-L30 HydrophobicContact CD1-CD2 3.79Å; L28-L30 HydrophobicContact CD1-CG 4.38Å; L28-L30 HydrophobicContact CD2-CD1 4.18Å; L28-L30 HydrophobicContact CD2-CD2 4.14Å; L28-L30 HydrophobicContact CD2-CG 4.18Å; L28-L30 HydrophobicContact CG-CD2 3.93Å; L28-L30 HydrophobicContact CG-CG 3.99Å; L28-V77 HydrophobicContact CD2-CG1 4.2Å; L28-Y81 HydrophobicContact CD1-CE1 4.26Å; L28-Y81 HydrophobicContact CD1-CE2 4.49Å; L28-Y81 HydrophobicContact CD2-CD1 3.95Å; L28-Y81 HydrophobicContact CD2-CD2 3.44Å; L28-Y81 VanDerWaalsContact CD2-CD2 3.44Å; L28-Y81 HydrophobicContact CD2-CE1 4.16Å; L28-Y81 HydrophobicContact CD2-CE2 3.69Å; L28-Y81 HydrophobicContact CD2-CG 3.57Å; L28-L84 HydrophobicContact CB-CD2 3.58Å; L28-K287 PolarHBondContact N-O 2.8Å; L28-L288 HydrophobicContact CB-CD1 3.95Å; L28-L288 HydrophobicContact CD2-CD1 3.84Å; L28-L288 HydrophobicContact CG-CD1 3.79Å; L28-L288 CarbonylContact O-C 3.43Å; L28-L288 VanDerWaalsContact O-CA 3.28Å; L28-L288 WeakPolarHBondContact O-CA 3.25Å; L28-L288 WeakPolarHBondContact O-CD1 3.19Å; L28-F289 PolarHBondContact O-N 3.22Å; L28-E321 HydrophobicContact CD1-CG 3.98Å; L28-F334 HydrophobicContact CD1-CE1 4.37Å
29Q97.3Very high81.6Confident0 Ų037.8 Ų37.80%021%0.21CC..EExtended strand (participates in β ladder)trans-125.5118.9174.2-52.2-174.87100109.3L27 I270 N273 F289 G319 F320L27-Q29 HydrophobicContact CD1-CG 4.25Å; L27-Q29 HydrophobicContact CD2-CG 4.23Å; L27-Q29 HydrophobicContact CG-CG 4.05Å; Q29-I270 PolarHBondContact NE2-O 2.76Å; Q29-N273 VanDerWaalsContact OE1-CB 3.3Å; Q29-N273 PolarHBondContact OE1-ND2 3.46Å; Q29-F289 CarbonylContact C-O 3.56Å; Q29-F289 WeakPolarHBondContact CA-O 3.37Å; Q29-F289 HydrophobicContact CB-CB 4.33Å; Q29-F289 HydrophobicContact CG-CB 4.15Å; Q29-F289 HydrophobicContact CG-CD2 4.11Å; Q29-F289 HydrophobicContact CG-CG 4.5Å; Q29-G319 CarbonylContact O-C 3.53Å; Q29-G319 WeakPolarHBondContact O-CA 3.49Å; Q29-F320 HydrophobicContact CB-CB 4.29Å; Q29-F320 PolarHBondContact N-O 3.5Å; Q29-F320 PolarHBondContact O-N 3.22Å
30L97.9Very high83Confident0 Ų030.5 Ų30.50%019%0.191CC..EExtended strand (participates in β ladder)trans-112.5131.4-175.3-60177000109.6L28 F73 V77 F111 L288 F289 H290 Y291 F334L28-L30 HydrophobicContact CD1-CD2 3.79Å; L28-L30 HydrophobicContact CD1-CG 4.38Å; L28-L30 HydrophobicContact CD2-CD1 4.18Å; L28-L30 HydrophobicContact CD2-CD2 4.14Å; L28-L30 HydrophobicContact CD2-CG 4.18Å; L28-L30 HydrophobicContact CG-CD2 3.93Å; L28-L30 HydrophobicContact CG-CG 3.99Å; L30-F73 HydrophobicContact CD1-CE1 4.3Å; L30-F73 HydrophobicContact CD1-CZ 3.99Å; L30-F73 HydrophobicContact CD2-CZ 4.24Å; L30-V77 HydrophobicContact CD1-CB 4.49Å; L30-V77 HydrophobicContact CD1-CG1 4.07Å; L30-V77 HydrophobicContact CD1-CG2 3.58Å; L30-F111 HydrophobicContact CD1-CE2 4.36Å; L30-F111 HydrophobicContact CD1-CZ 3.95Å; L30-L288 HydrophobicContact CD1-CD1 3.98Å; L30-L288 HydrophobicContact CG-CD1 4.12Å; L30-F289 PolarHBondContact N-O 2.67Å; L30-H290 CarbonylContact O-C 3.56Å; L30-H290 WeakPolarHBondContact O-CA 3Å; L30-Y291 PolarHBondContact O-N 3.16Å; L30-F334 HydrophobicContact CD2-CZ 4.03Å
31L95.5Very high84.2Confident0 Ų029.9 Ų29.90%018%0.178CC..EExtended strand (participates in β ladder)trans-118.5104.9170.6-6690.2000108.7L266 I270 Y291 L298 L301 A317 I318 F320L31-L266 HydrophobicContact CD2-CD1 3.77Å; L31-L266 HydrophobicContact CD2-CD2 3.61Å; L31-L266 HydrophobicContact CD2-CG 3.91Å; L31-I270 HydrophobicContact CD1-CD1 3.79Å; L31-I270 HydrophobicContact CD1-CG1 4.48Å; L31-I270 HydrophobicContact CD2-CD1 4.34Å; L31-Y291 CarbonylContact C-O 3.42Å; L31-Y291 WeakPolarHBondContact CA-O 3.42Å; L31-Y291 HydrophobicContact CG-CD2 4.22Å; L31-L298 HydrophobicContact CB-CD2 3.64Å; L31-L298 HydrophobicContact CD2-CD2 4.22Å; L31-L298 VanDerWaalsContact O-CD1 3.31Å; L31-L298 WeakPolarHBondContact O-CD1 3.49Å; L31-L301 HydrophobicContact CD1-CD2 4.48Å; L31-L301 HydrophobicContact CD2-CD2 3.71Å; L31-A317 CarbonylContact O-C 3.29Å; L31-A317 VanDerWaalsContact O-CA 3.23Å; L31-A317 WeakPolarHBondContact O-CA 3.35Å; L31-I318 PolarHBondContact N-O 3.2Å; L31-I318 PolarHBondContact O-N 3.35Å; L31-F320 HydrophobicContact CD1-CD2 3.93Å; L31-F320 HydrophobicContact CD1-CE2 3.73Å
32Q96.5Very high85Confident0 Ų028.4 Ų28.40%018%0.175CC..EExtended strand (participates in β ladder)trans-97.9137.1-176.4-175.5-176.9-10.400110.6S70 F73 H290 Y291 V292 T293 A317Q32-S70 PolarHBondContact NE2-OG 3.2Å; Q32-F73 HydrophobicContact CB-CE1 4.25Å; Q32-F73 HydrophobicContact CG-CD1 4.16Å; Q32-F73 HydrophobicContact CG-CE1 4.24Å; Q32-H290 PolarHBondContact OE1-CE1 3.26Å; Q32-H290 PolarHBondContact OE1-NE2 3.06Å; Q32-Y291 PolarHBondContact N-O 3.3Å; Q32-V292 HydrophobicContact CB-CG2 4.41Å; Q32-V292 WeakPolarHBondContact O-CA 3.18Å; Q32-T293 PolarHBondContact O-N 2.85Å; Q32-T293 VanDerWaalsContact O-N 3.07Å; Q32-A317 HydrophobicContact CB-CB 4.21Å; Q32-A317 HydrophobicContact CG-CB 4.44Å
33A93.6Very high85.5Confident1 Ų123.3 Ų23.31%0.00814%0.14CC..EExtended strand (participates in β ladder)trans-69.3137.316900000109.8A35 T293 R295 L298 F316A33-A35 PolarHBondContact O-N 3.34Å; A33-T293 CarbonylContact C-O 3.59Å; A33-T293 WeakPolarHBondContact CA-O 3.26Å; A33-R295 HydrophobicContact CB-CB 4.18Å; A33-L298 HydrophobicContact CB-CD1 3.95Å; A33-F316 HydrophobicContact CB-CD1 4.38Å; A33-F316 WeakPolarHBondContact CB-O 3.27Å; A33-F316 PolarHBondContact N-O 3.03Å
34E92.3Very high85.1Confident43 Ų4319.2 Ų19.220%0.20112%0.121CC..PPolyproline II helixtrans-46.8125166.9-179.8179.586.700109A103 S104 T293E34-A103 HydrophobicContact CG-CB 4.04Å; E34-S104 WeakPolarHBondContact OE2-CB 3.46Å; E34-S104 PolarHBondContact OE2-N 3.3Å; E34-S104 VanDerWaalsContact OE2-N 3.12Å; E34-S104 PolarHBondContact OE2-OG 3.03Å; E34-T293 PolarHBondContact N-O 3.29Å
35A92.2Very high83.6Confident3 Ų325.5 Ų25.53%0.02515%0.149CC..PPolyproline II helixtrans-77.7170.3-176.400000111.6A33 A37 L62 G66 T107 D315A33-A35 PolarHBondContact O-N 3.34Å; A35-A37 PolarHBondContact O-N 3.18Å; A35-A37 VanDerWaalsContact O-N 3.12Å; A35-L62 HydrophobicContact CB-CD1 3.82Å; A35-G66 WeakPolarHBondContact CB-O 3.26Å; A35-T107 HydrophobicContact CB-CG2 3.88Å; A35-T107 PolarHBondContact N-OG1 2.76Å; A35-D315 WeakPolarHBondContact CA-OD1 3.29Å
36D89.5Confident81.8Confident16 Ų1625.6 Ų25.69%0.08615%0.15CC..PPolyproline II helixtrans-53.4117.9-173.9-168.676000113.4L62 T63 Y65 N206 D315D36-L62 WeakPolarHBondContact O-CD1 3.42Å; D36-T63 WeakPolarHBondContact O-CB 3.23Å; D36-T63 WeakPolarHBondContact O-CG2 3.16Å; D36-T63 PolarHBondContact O-N 3.06Å; D36-T63 PolarHBondContact O-OG1 3.46Å; D36-T63 PolarHBondContact OD2-OG1 3.38Å; D36-Y65 HydrophobicContact CB-CD1 4.04Å; D36-N206 PolarHBondContact OD1-ND2 3.21Å; D36-D315 PolarHBondContact N-OD1 2.95Å
37A88.5Confident80.1Confident18 Ų1827 Ų2715%0.14916%0.164CC..BIsolated β-bridgetrans-107.4158.4-179.500000111.5A35 Q61 A103 S203A35-A37 PolarHBondContact O-N 3.18Å; A35-A37 VanDerWaalsContact O-N 3.12Å; A37-Q61 CarbonylContact C-O 3.4Å; A37-Q61 WeakPolarHBondContact CA-O 3.48Å; A37-Q61 WeakPolarHBondContact CB-O 3.24Å; A37-A103 HydrophobicContact CB-CB 3.67Å; A37-S203 VanDerWaalsContact O-CB 3.26Å; A37-S203 WeakPolarHBondContact O-CB 3.39Å; A37-S203 PolarHBondContact O-OG 3.1Å
38T86.1Confident78.2Confident6 Ų632.5 Ų32.54%0.03719%0.193CC..  trans-60.2153172.862.30000110F55 G58 G60 Q61 T63T38-F55 HydrophobicContact CG2-CB 4.17Å; T38-F55 HydrophobicContact CG2-CD1 3.41Å; T38-F55 VanDerWaalsContact CG2-CD1 3.41Å; T38-F55 HydrophobicContact CG2-CE1 3.99Å; T38-F55 HydrophobicContact CG2-CG 3.84Å; T38-G58 PolarHBondContact OG1-O 2.72Å; T38-G60 PolarHBondContact O-N 2.77Å; T38-G60 PolarHBondContact OG1-N 3Å; T38-Q61 PolarHBondContact N-O 2.86Å; T38-Q61 PolarHBondContact OG1-N 3.22Å; T38-Q61 PolarHBondContact OG1-O 2.89Å; T38-T63 HydrophobicContact CG2-CG2 3.93Å
39P79.3Confident76.6Confident5 Ų536 Ų363%0.03222%0.218CC..  trans-43.1142175.1-37.242.8000113.3M51 F59 G60 T200 S203 R204P39-M51 HydrophobicContact CB-CE 4.08Å; P39-M51 HydrophobicContact CB-SD 4.34Å; P39-M51 HydrophobicContact CG-CE 4.29Å; P39-M51 HydrophobicContact CG-SD 4.3Å; P39-F59 WeakPolarHBondContact O-CA 3.41Å; P39-F59 WeakPolarHBondContact O-CB 3.21Å; P39-F59 VanDerWaalsContact O-CD1 3.28Å; P39-F59 WeakPolarHBondContact O-CD1 3.07Å; P39-G60 PolarHBondContact O-N 2.78Å; P39-G60 VanDerWaalsContact O-N 3.14Å; P39-T200 HydrophobicContact CB-CG2 3.64Å; P39-T200 HydrophobicContact CG-CG2 4.27Å; P39-S203 VanDerWaalsContact CD-OG 3.26Å; P39-S203 WeakPolarHBondContact CD-OG 3.31Å; P39-R204 HydrophobicContact CG-CG 3.94Å
40A75.4Confident75Confident43 Ų4339.7 Ų39.736%0.35524%0.235SC..  trans-78.3147171.100000110.8L43A40-L43 HydrophobicContact CB-CD1 3.67Å
41N67.7Low73.4Confident108 Ų10840 Ų4058%0.57824%0.236SC*.THydrogen-bonded Turntrans-61.8145.8-176.1-168.66.4000112L43 F59N41-L43 VanDerWaalsContact C-N 3.28Å; N41-L43 PolarHBondContact O-N 2.69Å; N41-F59 HydrophobicContact CB-CB 4.01Å; N41-F59 HydrophobicContact CB-CD1 3.96Å; N41-F59 HydrophobicContact CB-CD2 3.84Å; N41-F59 HydrophobicContact CB-CE1 4.38Å; N41-F59 HydrophobicContact CB-CE2 4.27Å; N41-F59 HydrophobicContact CB-CG 3.68Å
42G61.6Low72Confident47 Ų4743.4 Ų43.449%0.48526%0.26SS..THydrogen-bonded Turntrans73.610.4169.300000115.5R193G42-R193 PolarHBondContact O-NH2 2.76Å
43L63.2Low70.6Confident5 Ų548.9 Ų48.93%0.02629%0.294CS..SBendtrans-90.6-38.9176.5-78.5155.7000112.7A40 N41 D196 V197 T200A40-L43 HydrophobicContact CB-CD1 3.67Å; N41-L43 VanDerWaalsContact C-N 3.28Å; N41-L43 PolarHBondContact O-N 2.69Å; L43-D196 HydrophobicContact CD1-CB 3.83Å; L43-D196 HydrophobicContact CD2-CB 4.16Å; L43-V197 HydrophobicContact CD2-CB 4.28Å; L43-V197 HydrophobicContact CD2-CG2 3.38Å; L43-T200 HydrophobicContact CB-CG2 4.26Å; L43-T200 WeakPolarHBondContact CD1-OG1 3.27Å
44F60.5Low69.4Low9 Ų955.8 Ų55.84%0.03932%0.32CS..SBendtrans-128.8125.9170.8-58.4-59.8000106.5S46 V197 T200 I201 L215F44-S46 PolarHBondContact O-N 2.7Å; F44-S46 PolarHBondContact O-OG 2.71Å; F44-V197 HydrophobicContact CZ-CG1 3.98Å; F44-T200 HydrophobicContact CD2-CG2 3.31Å; F44-T200 HydrophobicContact CE2-CG2 3.29Å; F44-I201 HydrophobicContact CE2-CG1 4.04Å; F44-I201 HydrophobicContact CZ-CD1 4.3Å; F44-I201 HydrophobicContact CZ-CG1 3.65Å; F44-L215 HydrophobicContact CD1-CD1 3.76Å; F44-L215 HydrophobicContact CE1-CD1 3.3Å; F44-L215 HydrophobicContact CE1-CD2 3.85Å; F44-L215 HydrophobicContact CE1-CG 4.14Å; F44-L215 HydrophobicContact CE2-CD1 4.5Å; F44-L215 HydrophobicContact CZ-CD1 3.72Å
45Q50.3Low68.4Low179 Ų17954.7 Ų54.784%0.83632%0.315SS*.  trans-68.346.5169.1-59.3173.29.500109.9S47Q45-S47 PolarHBondContact O-N 3.19Å
46S52Low67.4Low9 Ų960.2 Ų60.26%0.06335%0.35CS..  trans-51.7118.4150.344.90000103.8F44 D48 M51F44-S46 PolarHBondContact O-N 2.7Å; F44-S46 PolarHBondContact O-OG 2.71Å; S46-D48 PolarHBondContact O-N 3.18Å; S46-M51 VanDerWaalsContact OG-CG 3.25Å; S46-M51 WeakPolarHBondContact OG-CG 3.44Å
47S52.3Low66.8Low73 Ų7364 Ų6451%0.5137%0.374SS..  trans-48.1141176.9560000107.2Q45 S49 E50Q45-S47 PolarHBondContact O-N 3.19Å; S47-S49 CarbonylContact O-C 3.59Å; S47-S49 PolarHBondContact O-N 3.06Å; S47-E50 PolarHBondContact O-N 3.19Å
48D54.7Low66.5Low116 Ų11664.3 Ų64.362%0.6238%0.379SS*.Hα-helixtrans-51.3-20.2178.1-66.8-37.8000111.6S46 S52S46-D48 PolarHBondContact O-N 3.18Å; D48-S52 WeakPolarHBondContact O-CB 3.24Å; D48-S52 PolarHBondContact O-N 3.08Å; D48-S52 PolarHBondContact O-OG 3.25Å
49S62.2Low66.3Low75 Ų7566.6 Ų66.652%0.52439%0.388SS..Hα-helixtrans-63.7-48.8169.9-177.50000115.5S47 M51 S52 T53S47-S49 CarbonylContact O-C 3.59Å; S47-S49 PolarHBondContact O-N 3.06Å; S49-M51 VanDerWaalsContact C-N 3.3Å; S49-M51 PolarHBondContact O-N 2.06Å; S49-S52 WeakPolarHBondContact CA-OG 3.43Å; S49-S52 PolarHBondContact O-OG 3.29Å; S49-T53 WeakPolarHBondContact O-CB 2.98Å; S49-T53 PolarHBondContact O-N 3.12Å; S49-T53 VanDerWaalsContact O-N 3.07Å; S49-T53 PolarHBondContact O-OG1 3.29Å
50E64.1Low66.5Low78 Ų7867.8 Ų67.836%0.36440%0.401SS..Hα-helixtrans-64-40.8178.6-173.4-169.2157.600110.1S47 R54 R204S47-E50 PolarHBondContact O-N 3.19Å; E50-R54 WeakPolarHBondContact O-CB 3.01Å; E50-R54 PolarHBondContact O-N 2.74Å; E50-R204 IonicContact OE1-CZ 3.66Å; E50-R204 IonicContact OE1-NH1 2.61Å; E50-R204 IonicContact OE1-NH2 3.31Å; E50-R204 PolarHBondContact OE1-NH2 3.34Å; E50-R204 VanDerWaalsContact OE1-NH2 3.13Å
51M63.5Low67.2Low5 Ų567.8 Ų67.83%0.02539%0.394CS..Hα-helixtrans-70.4-47.4-179.9-76-65-57.100112.4P39 S46 S49 T53 R54 F55 F59P39-M51 HydrophobicContact CB-CE 4.08Å; P39-M51 HydrophobicContact CB-SD 4.34Å; P39-M51 HydrophobicContact CG-CE 4.29Å; P39-M51 HydrophobicContact CG-SD 4.3Å; S46-M51 VanDerWaalsContact OG-CG 3.25Å; S46-M51 WeakPolarHBondContact OG-CG 3.44Å; S49-M51 VanDerWaalsContact C-N 3.3Å; S49-M51 PolarHBondContact O-N 2.06Å; M51-T53 VanDerWaalsContact C-N 3.3Å; M51-T53 PolarHBondContact O-N 2.72Å; M51-R54 PolarHBondContact O-N 3.37Å; M51-F55 HydrophobicContact CE-CB 4.23Å; M51-F55 HydrophobicContact CE-CD2 3.37Å; M51-F55 HydrophobicContact CE-CE2 4.06Å; M51-F55 HydrophobicContact CE-CG 4.08Å; M51-F55 CarbonylContact O-C 3.52Å; M51-F55 VanDerWaalsContact O-CA 3.32Å; M51-F55 WeakPolarHBondContact O-CA 3.22Å; M51-F55 WeakPolarHBondContact O-CB 3.11Å; M51-F55 PolarHBondContact O-N 3.48Å; M51-F55 HydrophobicContact SD-CD2 3.54Å; M51-F55 VanDerWaalsContact SD-CD2 3.54Å; M51-F55 HydrophobicContact SD-CE2 3.82Å; M51-F59 HydrophobicContact CB-CE1 4.18Å; M51-F59 HydrophobicContact CB-CZ 3.92Å; M51-F59 HydrophobicContact CE-CD1 3.56Å; M51-F59 HydrophobicContact CE-CE1 3.53Å; M51-F59 HydrophobicContact CE-CG 4.34Å; M51-F59 HydrophobicContact CE-CZ 4.29Å; M51-F59 HydrophobicContact CG-CE1 3.65Å; M51-F59 HydrophobicContact CG-CZ 3.81Å; M51-F59 HydrophobicContact SD-CE1 4.12Å
52S65.7Low68.3Low72 Ų7263.7 Ų63.750%0.50337%0.372SS..Hα-helixtrans-63-36.6178.152.90000112.5D48 S49D48-S52 WeakPolarHBondContact O-CB 3.24Å; D48-S52 PolarHBondContact O-N 3.08Å; D48-S52 PolarHBondContact O-OG 3.25Å; S49-S52 WeakPolarHBondContact CA-OG 3.43Å; S49-S52 PolarHBondContact O-OG 3.29Å
53T68.9Low69.6Low115 Ų11561.8 Ų61.871%0.70635%0.351SS*.Hα-helixtrans-70.5-38.6177.6-52.30000111.7S49 M51S49-T53 WeakPolarHBondContact O-CB 2.98Å; S49-T53 PolarHBondContact O-N 3.12Å; S49-T53 VanDerWaalsContact O-N 3.07Å; S49-T53 PolarHBondContact O-OG1 3.29Å; M51-T53 VanDerWaalsContact C-N 3.3Å; M51-T53 PolarHBondContact O-N 2.72Å
54R67.3Low70.8Confident147 Ų14767 Ų6756%0.55538%0.383SS*.Hα-helixtrans-95.4-26.2-172.3-159.7143.8177.7121.1-6.8114.2E50 M51 L209E50-R54 WeakPolarHBondContact O-CB 3.01Å; E50-R54 PolarHBondContact O-N 2.74Å; M51-R54 PolarHBondContact O-N 3.37Å; R54-L209 VanDerWaalsContact CD-CD2 3.45Å; R54-L209 HydrophobicContact CG-CD2 4.38Å
55F71.9Confident72.1Confident20 Ų2070.3 Ų70.39%0.08840%0.395CS..  trans-131.876.5179.1-55-68.9000109.3T38 M51 V57 G58 L207 L209T38-F55 HydrophobicContact CG2-CB 4.17Å; T38-F55 HydrophobicContact CG2-CD1 3.41Å; T38-F55 VanDerWaalsContact CG2-CD1 3.41Å; T38-F55 HydrophobicContact CG2-CE1 3.99Å; T38-F55 HydrophobicContact CG2-CG 3.84Å; M51-F55 HydrophobicContact CE-CB 4.23Å; M51-F55 HydrophobicContact CE-CD2 3.37Å; M51-F55 HydrophobicContact CE-CE2 4.06Å; M51-F55 HydrophobicContact CE-CG 4.08Å; M51-F55 CarbonylContact O-C 3.52Å; M51-F55 VanDerWaalsContact O-CA 3.32Å; M51-F55 WeakPolarHBondContact O-CA 3.22Å; M51-F55 WeakPolarHBondContact O-CB 3.11Å; M51-F55 PolarHBondContact O-N 3.48Å; M51-F55 HydrophobicContact SD-CD2 3.54Å; M51-F55 VanDerWaalsContact SD-CD2 3.54Å; M51-F55 HydrophobicContact SD-CE2 3.82Å; F55-V57 PolarHBondContact O-N 3.02Å; F55-G58 PolarHBondContact O-N 2.71Å; F55-L207 HydrophobicContact CE1-CD1 3.53Å; F55-L207 HydrophobicContact CE1-CD2 3.96Å; F55-L207 HydrophobicContact CE1-CG 4.24Å; F55-L207 HydrophobicContact CE2-CD1 4.41Å; F55-L207 HydrophobicContact CZ-CB 4.26Å; F55-L207 HydrophobicContact CZ-CD1 3.33Å; F55-L207 HydrophobicContact CZ-CD2 4.31Å; F55-L207 HydrophobicContact CZ-CG 4.14Å; F55-L209 HydrophobicContact CE2-CD1 3.74Å; F55-L209 HydrophobicContact CZ-CD1 3.78Å
56P70.8Confident74.1Confident118 Ų11861.8 Ų61.877%0.76636%0.356SS*.THydrogen-bonded Turntrans-59.3-22.9-179.723.7-34.1000112.8G58P56-G58 VanDerWaalsContact C-N 3.31Å
57V78Confident76Confident97 Ų9762.7 Ų62.759%0.58836%0.362SS*.THydrogen-bonded Turntrans-73.1-18.6174.5-62.80000113.7F55 Q61F55-V57 PolarHBondContact O-N 3.02Å; V57-Q61 HydrophobicContact CB-CB 4.19Å; V57-Q61 HydrophobicContact CB-CG 4.1Å; V57-Q61 HydrophobicContact CG2-CB 3.67Å; V57-Q61 HydrophobicContact CG2-CG 4.03Å; V57-Q61 VanDerWaalsContact O-CG 3.31Å; V57-Q61 WeakPolarHBondContact O-CG 3.26Å
58G81.2Confident78Confident24 Ų2463.6 Ų63.625%0.24736%0.36CS..  trans93.5-165.5179.300000115.4T38 F55 P56T38-G58 PolarHBondContact OG1-O 2.72Å; F55-G58 PolarHBondContact O-N 2.71Å; P56-G58 VanDerWaalsContact C-N 3.31Å
59F81.3Confident79.8Confident54 Ų5458.9 Ų58.924%0.23734%0.335CS..THydrogen-bonded Turntrans-81.5147.5-173.8-62.4-85.9000112.7P39 N41 M51 Q61P39-F59 WeakPolarHBondContact O-CA 3.41Å; P39-F59 WeakPolarHBondContact O-CB 3.21Å; P39-F59 VanDerWaalsContact O-CD1 3.28Å; P39-F59 WeakPolarHBondContact O-CD1 3.07Å; N41-F59 HydrophobicContact CB-CB 4.01Å; N41-F59 HydrophobicContact CB-CD1 3.96Å; N41-F59 HydrophobicContact CB-CD2 3.84Å; N41-F59 HydrophobicContact CB-CE1 4.38Å; N41-F59 HydrophobicContact CB-CE2 4.27Å; N41-F59 HydrophobicContact CB-CG 3.68Å; M51-F59 HydrophobicContact CB-CE1 4.18Å; M51-F59 HydrophobicContact CB-CZ 3.92Å; M51-F59 HydrophobicContact CE-CD1 3.56Å; M51-F59 HydrophobicContact CE-CE1 3.53Å; M51-F59 HydrophobicContact CE-CG 4.34Å; M51-F59 HydrophobicContact CE-CZ 4.29Å; M51-F59 HydrophobicContact CG-CE1 3.65Å; M51-F59 HydrophobicContact CG-CZ 3.81Å; M51-F59 HydrophobicContact SD-CE1 4.12Å; F59-Q61 PolarHBondContact O-N 3.29Å
60G83.8Confident81.4Confident30 Ų3055.3 Ų55.331%0.30931%0.31SS..THydrogen-bonded Turntrans63.920.6176.400000114.9T38 P39T38-G60 PolarHBondContact O-N 2.77Å; T38-G60 PolarHBondContact OG1-N 3Å; P39-G60 PolarHBondContact O-N 2.78Å; P39-G60 VanDerWaalsContact O-N 3.14Å
61Q90Very high82.9Confident42 Ų4255.3 Ų55.320%0.19631%0.307CS..PPolyproline II helixtrans-95.6151.3179.1-62.5-55.4-44.900110.6A37 T38 V57 F59 T63 D102A37-Q61 CarbonylContact C-O 3.4Å; A37-Q61 WeakPolarHBondContact CA-O 3.48Å; A37-Q61 WeakPolarHBondContact CB-O 3.24Å; T38-Q61 PolarHBondContact N-O 2.86Å; T38-Q61 PolarHBondContact OG1-N 3.22Å; T38-Q61 PolarHBondContact OG1-O 2.89Å; V57-Q61 HydrophobicContact CB-CB 4.19Å; V57-Q61 HydrophobicContact CB-CG 4.1Å; V57-Q61 HydrophobicContact CG2-CB 3.67Å; V57-Q61 HydrophobicContact CG2-CG 4.03Å; V57-Q61 VanDerWaalsContact O-CG 3.31Å; V57-Q61 WeakPolarHBondContact O-CG 3.26Å; F59-Q61 PolarHBondContact O-N 3.29Å; Q61-T63 PolarHBondContact O-N 2.97Å; Q61-D102 PolarHBondContact NE2-OD2 2.96Å
62L92Very high84.4Confident22 Ų2258.1 Ų58.112%0.11533%0.325CS..BIsolated β-bridgetrans-62.1134.7176.2-174.267.1000110.9A35 D36 C67A35-L62 HydrophobicContact CB-CD1 3.82Å; D36-L62 WeakPolarHBondContact O-CD1 3.42Å; L62-C67 HydrophobicContact CD2-CB 3.8Å; L62-C67 HydrophobicContact CG-CB 4.36Å
63T88.7Confident85.9Confident8 Ų854.7 Ų54.75%0.04930%0.301CS..PPolyproline II helixtrans-78.9160.1174.467.30000111.1D36 T38 Q61 Y65 G66 C67 L207D36-T63 WeakPolarHBondContact O-CB 3.23Å; D36-T63 WeakPolarHBondContact O-CG2 3.16Å; D36-T63 PolarHBondContact O-N 3.06Å; D36-T63 PolarHBondContact O-OG1 3.46Å; D36-T63 PolarHBondContact OD2-OG1 3.38Å; T38-T63 HydrophobicContact CG2-CG2 3.93Å; Q61-T63 PolarHBondContact O-N 2.97Å; T63-Y65 PolarHBondContact O-N 3.38Å; T63-G66 PolarHBondContact O-N 3.31Å; T63-G66 PolarHBondContact OG1-N 2.76Å; T63-C67 PolarHBondContact O-N 2.94Å; T63-L207 HydrophobicContact CG2-CD1 3.95Å; T63-L207 HydrophobicContact CG2-CD2 3.88Å; T63-L207 HydrophobicContact CG2-CG 4.34Å
64V88.1Confident87.2Confident114 Ų11449.2 Ų49.269%0.69127%0.267SS*.Hα-helixtrans-58.2-38.6172178.60000110.9C67 N68V64-C67 PolarHBondContact O-N 2.94Å; V64-N68 PolarHBondContact O-N 2.98Å
65Y87.7Confident88.5Confident79 Ų7944.5 Ų44.531%0.3125%0.253SS..Hα-helixtrans-59.9-51.2174.8176.8-101.9000111.7D36 T63 C67 N68 M69 Q314D36-Y65 HydrophobicContact CB-CD1 4.04Å; T63-Y65 PolarHBondContact O-N 3.38Å; Y65-C67 VanDerWaalsContact C-N 3.32Å; Y65-C67 PolarHBondContact O-N 2.86Å; Y65-N68 PolarHBondContact O-N 3.3Å; Y65-M69 HydrophobicContact CD1-CG 4.41Å; Y65-M69 HydrophobicContact CE1-CG 4.02Å; Y65-M69 HydrophobicContact CE2-CG 4.4Å; Y65-M69 HydrophobicContact CE2-SD 4.45Å; Y65-M69 WeakPolarHBondContact O-CG 3.29Å; Y65-M69 PolarHBondContact O-N 3.11Å; Y65-Q314 PolarHBondContact OH-OE1 2.93Å
66G91.3Very high89.6Confident0 Ų045.2 Ų45.20%026%0.255CS..Hα-helixtrans-62.1-37177.400000113.2A35 T63 M69 S70A35-G66 WeakPolarHBondContact CB-O 3.26Å; T63-G66 PolarHBondContact O-N 3.31Å; T63-G66 PolarHBondContact OG1-N 2.76Å; G66-M69 PolarHBondContact O-N 2.81Å; G66-S70 PolarHBondContact O-N 3.47Å
67C93Very high90.9Very high28 Ų2839.7 Ų39.719%0.18922%0.219CC..Hα-helixtrans-62.9-45.6173.2-174.70000111.9L62 T63 V64 Y65 M69 S70 Y71 C110L62-C67 HydrophobicContact CD2-CB 3.8Å; L62-C67 HydrophobicContact CG-CB 4.36Å; T63-C67 PolarHBondContact O-N 2.94Å; V64-C67 PolarHBondContact O-N 2.94Å; Y65-C67 VanDerWaalsContact C-N 3.32Å; Y65-C67 PolarHBondContact O-N 2.86Å; C67-M69 VanDerWaalsContact C-N 3.32Å; C67-M69 PolarHBondContact O-N 3.17Å; C67-S70 PolarHBondContact O-N 3.47Å; C67-Y71 VanDerWaalsContact O-CB 3.32Å; C67-Y71 WeakPolarHBondContact O-CB 3.23Å; C67-Y71 PolarHBondContact O-N 2.97Å; C67-C110 VanDerWaalsContact CA-SG 3.56Å; C67-C110 HydrophobicContact CB-CB 3.99Å; C67-C110 WeakPolarHBondContact CB-SG 3.32Å; C67-C110 WeakPolarHBondContact O-CB 3.36Å; C67-C110 WeakPolarHBondContact SG-CB 3.11Å; C67-C110 CovalentContact SG-SG 2.04Å; C67-C110 PolarHBondContact SG-SG 2.71Å
68N93.2Very high91.6Very high91 Ų9136.8 Ų36.849%0.48720%0.198SC..Hα-helixtrans-62-38.4177.3-74.2-13000112.4V64 Y65 Y71 T72V64-N68 PolarHBondContact O-N 2.98Å; Y65-N68 PolarHBondContact O-N 3.3Å; N68-Y71 PolarHBondContact O-N 3.37Å; N68-T72 WeakPolarHBondContact O-CB 3.21Å; N68-T72 PolarHBondContact O-N 2.97Å; N68-T72 PolarHBondContact O-OG1 2.63Å
69M93.7Very high92.2Very high17 Ų1742 Ų428%0.08422%0.22CC..Hα-helixtrans-61.2-50.3174.1-69.4-67.8-75.900110.8Y65 G66 C67 Y71 T72 F73 D315 V338 R339Y65-M69 HydrophobicContact CD1-CG 4.41Å; Y65-M69 HydrophobicContact CE1-CG 4.02Å; Y65-M69 HydrophobicContact CE2-CG 4.4Å; Y65-M69 HydrophobicContact CE2-SD 4.45Å; Y65-M69 WeakPolarHBondContact O-CG 3.29Å; Y65-M69 PolarHBondContact O-N 3.11Å; G66-M69 PolarHBondContact O-N 2.81Å; C67-M69 VanDerWaalsContact C-N 3.32Å; C67-M69 PolarHBondContact O-N 3.17Å; M69-Y71 PolarHBondContact O-N 2.91Å; M69-T72 PolarHBondContact O-N 2.92Å; M69-F73 PolarHBondContact O-N 2.9Å; M69-D315 HydrophobicContact CB-CB 4.47Å; M69-D315 VanDerWaalsContact CB-OD2 3.23Å; M69-D315 WeakPolarHBondContact CB-OD2 3.41Å; M69-D315 HydrophobicContact CE-CB 4.1Å; M69-D315 WeakPolarHBondContact CG-OD2 3.3Å; M69-V338 HydrophobicContact CB-CG1 4.01Å; M69-V338 HydrophobicContact CE-CB 3.82Å; M69-V338 HydrophobicContact CE-CG1 3.7Å; M69-V338 WeakPolarHBondContact O-CG1 3.35Å; M69-V338 HydrophobicContact SD-CG1 4.24Å; M69-R339 HydrophobicContact CE-CB 3.8Å; M69-R339 HydrophobicContact CE-CG 4.48Å
70S96Very high92.8Very high0 Ų042 Ų420%022%0.224CC..Hα-helixtrans-62.8-41.9178.8-161.20000112.6Q32 G66 C67 T72 F73 G74 T107 F111Q32-S70 PolarHBondContact NE2-OG 3.2Å; G66-S70 PolarHBondContact O-N 3.47Å; C67-S70 PolarHBondContact O-N 3.47Å; S70-T72 PolarHBondContact O-N 3.09Å; S70-F73 WeakPolarHBondContact O-CB 3.27Å; S70-F73 PolarHBondContact O-N 3.25Å; S70-G74 PolarHBondContact O-N 2.96Å; S70-T107 WeakPolarHBondContact CB-O 3.46Å; S70-T107 WeakPolarHBondContact OG-CG2 3.25Å; S70-T107 PolarHBondContact OG-O 2.9Å; S70-F111 WeakPolarHBondContact O-CA 3.32Å; S70-F111 WeakPolarHBondContact OG-CB 3.44Å; S70-F111 PolarHBondContact OG-N 3.21Å
71Y94.8Very high93.3Very high78 Ų7840.8 Ų40.831%0.30621%0.211SC..Hα-helixtrans-59-45.9173.6173.8-96.5000112C67 N68 M69 F73 G74 L75 C110 Q113 G114C67-Y71 VanDerWaalsContact O-CB 3.32Å; C67-Y71 WeakPolarHBondContact O-CB 3.23Å; C67-Y71 PolarHBondContact O-N 2.97Å; N68-Y71 PolarHBondContact O-N 3.37Å; M69-Y71 PolarHBondContact O-N 2.91Å; Y71-F73 VanDerWaalsContact C-N 3.3Å; Y71-F73 PolarHBondContact O-N 3.04Å; Y71-G74 WeakPolarHBondContact O-CA 3.43Å; Y71-G74 PolarHBondContact O-N 3.39Å; Y71-L75 HydrophobicContact CD1-CD1 3.99Å; Y71-L75 HydrophobicContact CD1-CG 4.34Å; Y71-L75 HydrophobicContact CE1-CD1 3.36Å; Y71-L75 HydrophobicContact CE1-CD2 4.46Å; Y71-L75 HydrophobicContact CE1-CG 3.87Å; Y71-L75 PolarHBondContact O-N 3.01Å; Y71-C110 VanDerWaalsContact CA-O 3.31Å; Y71-C110 WeakPolarHBondContact CA-O 3.34Å; Y71-Q113 HydrophobicContact CD2-CB 3.88Å; Y71-Q113 HydrophobicContact CE2-CB 4.21Å; Y71-G114 VanDerWaalsContact CD2-N 3.3Å; Y71-G114 WeakPolarHBondContact O-CA 3.49Å
72T94.9Very high93.2Very high65 Ų6540.1 Ų40.140%0.39921%0.214SC..Hα-helixtrans-62.5-39177.3-57.50000111.3N68 M69 S70 G74 L75 Y76N68-T72 WeakPolarHBondContact O-CB 3.21Å; N68-T72 PolarHBondContact O-N 2.97Å; N68-T72 PolarHBondContact O-OG1 2.63Å; M69-T72 PolarHBondContact O-N 2.92Å; S70-T72 PolarHBondContact O-N 3.09Å; T72-G74 VanDerWaalsContact C-N 3.34Å; T72-L75 WeakPolarHBondContact O-CB 3.48Å; T72-L75 PolarHBondContact O-N 3.06Å; T72-Y76 PolarHBondContact O-N 2.83Å
73F97.4Very high93.2Very high0 Ų048.8 Ų48.80%025%0.246CC..Hα-helixtrans-63.8-39.7172.3-178.6-132.7000112.1L30 Q32 M69 S70 Y71 L75 Y76 V77 F111 A317 Y336 V338L30-F73 HydrophobicContact CD1-CE1 4.3Å; L30-F73 HydrophobicContact CD1-CZ 3.99Å; L30-F73 HydrophobicContact CD2-CZ 4.24Å; Q32-F73 HydrophobicContact CB-CE1 4.25Å; Q32-F73 HydrophobicContact CG-CD1 4.16Å; Q32-F73 HydrophobicContact CG-CE1 4.24Å; M69-F73 PolarHBondContact O-N 2.9Å; S70-F73 WeakPolarHBondContact O-CB 3.27Å; S70-F73 PolarHBondContact O-N 3.25Å; Y71-F73 VanDerWaalsContact C-N 3.3Å; Y71-F73 PolarHBondContact O-N 3.04Å; F73-L75 PolarHBondContact O-N 3.44Å; F73-Y76 AromaticContact CD2-CD1 3.86Å; F73-Y76 HydrophobicContact CD2-CD1 3.86Å; F73-Y76 AromaticContact CE2-CD1 3.85Å; F73-Y76 HydrophobicContact CE2-CD1 3.85Å; F73-Y76 HydrophobicContact CE2-CE1 4.23Å; F73-Y76 WeakPolarHBondContact O-CB 3.03Å; F73-Y76 PolarHBondContact O-N 3.47Å; F73-V77 HydrophobicContact CD2-CG2 4.2Å; F73-V77 HydrophobicContact CE2-CG2 3.82Å; F73-V77 HydrophobicContact CZ-CG2 3.98Å; F73-V77 WeakPolarHBondContact O-CG2 3.49Å; F73-V77 PolarHBondContact O-N 2.79Å; F73-F111 HydrophobicContact CB-CD2 4.42Å; F73-F111 AromaticContact CD1-CD2 3.51Å; F73-F111 HydrophobicContact CD1-CD2 3.51Å; F73-F111 AromaticContact CD1-CE2 3.55Å; F73-F111 HydrophobicContact CD1-CE2 3.55Å; F73-F111 HydrophobicContact CE1-CD2 4.06Å; F73-F111 AromaticContact CE1-CE2 3.71Å; F73-F111 HydrophobicContact CE1-CE2 3.71Å; F73-F111 HydrophobicContact CG-CD2 4.19Å; F73-F111 HydrophobicContact CG-CE2 4.17Å; F73-F111 HydrophobicContact CZ-CE2 4.46Å; F73-A317 HydrophobicContact CD1-CB 4.43Å; F73-A317 HydrophobicContact CE1-CB 3.57Å; F73-A317 HydrophobicContact CE2-CB 4.07Å; F73-A317 HydrophobicContact CZ-CB 3.35Å; F73-Y336 AromaticContact CD2-CD1 3.38Å; F73-Y336 HydrophobicContact CD2-CD1 3.38Å; F73-Y336 AromaticContact CD2-CE1 3.35Å; F73-Y336 HydrophobicContact CD2-CE1 3.35Å; F73-Y336 HydrophobicContact CD2-CG 4.33Å; F73-Y336 AromaticContact CE2-CD1 3.49Å; F73-Y336 HydrophobicContact CE2-CD1 3.49Å; F73-Y336 VanDerWaalsContact CE2-CD1 3.49Å; F73-Y336 AromaticContact CE2-CE1 3.92Å; F73-Y336 HydrophobicContact CE2-CE1 3.92Å; F73-Y336 HydrophobicContact CE2-CG 4.06Å; F73-Y336 HydrophobicContact CG-CD1 4.38Å; F73-Y336 HydrophobicContact CG-CE1 4.28Å; F73-V338 HydrophobicContact CB-CG1 4.09Å; F73-V338 HydrophobicContact CB-CG2 4.09Å; F73-V338 HydrophobicContact CD2-CG2 4.48Å; F73-V338 HydrophobicContact CG-CG2 4.23Å
74G96.1Very high93.3Very high0 Ų049.1 Ų49.10%025%0.247CC..Hα-helixtrans-58.3-45.2172.100000113S70 Y71 T72 V77 R78 F111 G114S70-G74 PolarHBondContact O-N 2.96Å; Y71-G74 WeakPolarHBondContact O-CA 3.43Å; Y71-G74 PolarHBondContact O-N 3.39Å; T72-G74 VanDerWaalsContact C-N 3.34Å; G74-V77 PolarHBondContact O-N 2.89Å; G74-R78 PolarHBondContact O-N 3.31Å; G74-F111 WeakPolarHBondContact CA-O 3.42Å; G74-G114 CarbonylContact C-O 3.51Å
75L94.4Very high93.4Very high47 Ų4743.9 Ų43.925%0.24622%0.215CC..Hα-helixtrans-61-44.7174.5-72.9179.2000111.8Y71 T72 F73 V77 R78 N79 V117Y71-L75 HydrophobicContact CD1-CD1 3.99Å; Y71-L75 HydrophobicContact CD1-CG 4.34Å; Y71-L75 HydrophobicContact CE1-CD1 3.36Å; Y71-L75 HydrophobicContact CE1-CD2 4.46Å; Y71-L75 HydrophobicContact CE1-CG 3.87Å; Y71-L75 PolarHBondContact O-N 3.01Å; T72-L75 WeakPolarHBondContact O-CB 3.48Å; T72-L75 PolarHBondContact O-N 3.06Å; F73-L75 PolarHBondContact O-N 3.44Å; L75-V77 VanDerWaalsContact C-N 3.32Å; L75-V77 PolarHBondContact O-N 2.82Å; L75-R78 PolarHBondContact O-N 3.05Å; L75-N79 WeakPolarHBondContact O-CB 3.12Å; L75-N79 VanDerWaalsContact O-CG 3.23Å; L75-N79 PolarHBondContact O-N 2.9Å; L75-N79 PolarHBondContact O-ND2 3.27Å; L75-V117 HydrophobicContact CD2-CG2 3.34Å
76Y96Very high93.4Very high36 Ų3644.3 Ų44.314%0.14122%0.22CC..Hα-helixtrans-56.7-46.6175.2163.2-94.6000111.3T72 F73 N79 T80 Y81 Y336 R343T72-Y76 PolarHBondContact O-N 2.83Å; F73-Y76 AromaticContact CD2-CD1 3.86Å; F73-Y76 HydrophobicContact CD2-CD1 3.86Å; F73-Y76 AromaticContact CE2-CD1 3.85Å; F73-Y76 HydrophobicContact CE2-CD1 3.85Å; F73-Y76 HydrophobicContact CE2-CE1 4.23Å; F73-Y76 WeakPolarHBondContact O-CB 3.03Å; F73-Y76 PolarHBondContact O-N 3.47Å; Y76-N79 PolarHBondContact O-N 2.86Å; Y76-T80 WeakPolarHBondContact CE2-OG1 3.31Å; Y76-T80 VanDerWaalsContact O-CB 3.27Å; Y76-T80 WeakPolarHBondContact O-CB 3.37Å; Y76-T80 PolarHBondContact O-N 2.92Å; Y76-T80 PolarHBondContact O-OG1 3.24Å; Y76-Y81 HydrophobicContact CE1-CE2 4.27Å; Y76-Y336 HydrophobicContact CD1-CD2 4.29Å; Y76-Y336 HydrophobicContact CD1-CE1 4.18Å; Y76-Y336 AromaticContact CD1-CE2 3.86Å; Y76-Y336 HydrophobicContact CD1-CE2 3.86Å; Y76-Y336 AromaticContact CD1-CZ 3.8Å; Y76-Y336 AromaticContact CD2-CE2 3.7Å; Y76-Y336 HydrophobicContact CD2-CE2 3.7Å; Y76-Y336 AromaticContact CD2-CZ 3.87Å; Y76-Y336 AromaticContact CE1-CD2 3.92Å; Y76-Y336 HydrophobicContact CE1-CD2 3.92Å; Y76-Y336 AromaticContact CE1-CE2 3.83Å; Y76-Y336 HydrophobicContact CE1-CE2 3.83Å; Y76-Y336 HydrophobicContact CE1-CG 4.4Å; Y76-Y336 HydrophobicContact CE2-CD2 4.3Å; Y76-Y336 AromaticContact CE2-CE2 3.65Å; Y76-Y336 HydrophobicContact CE2-CE2 3.65Å; Y76-Y336 HydrophobicContact CG-CE1 4.33Å; Y76-Y336 AromaticContact CG-CE2 3.81Å; Y76-Y336 HydrophobicContact CG-CE2 3.81Å; Y76-Y336 AromaticContact CG-CZ 3.61Å; Y76-Y336 AromaticContact CZ-CD2 3.94Å; Y76-Y336 AromaticContact CZ-CE2 3.74Å; Y76-R343 WeakPolarHBondContact OH-CD 3.45Å
77V96.6Very high93.2Very high2 Ų247.8 Ų47.81%0.01224%0.242CC..Hα-helixtrans-65-41.1178.5174.90000111.2L28 L30 F73 G74 L75 Y81 F111 L115 L288L28-V77 HydrophobicContact CD2-CG1 4.2Å; L30-V77 HydrophobicContact CD1-CB 4.49Å; L30-V77 HydrophobicContact CD1-CG1 4.07Å; L30-V77 HydrophobicContact CD1-CG2 3.58Å; F73-V77 HydrophobicContact CD2-CG2 4.2Å; F73-V77 HydrophobicContact CE2-CG2 3.82Å; F73-V77 HydrophobicContact CZ-CG2 3.98Å; F73-V77 WeakPolarHBondContact O-CG2 3.49Å; F73-V77 PolarHBondContact O-N 2.79Å; G74-V77 PolarHBondContact O-N 2.89Å; L75-V77 VanDerWaalsContact C-N 3.32Å; L75-V77 PolarHBondContact O-N 2.82Å; V77-Y81 HydrophobicContact CB-CD2 4.43Å; V77-Y81 HydrophobicContact CG1-CD2 3.99Å; V77-Y81 WeakPolarHBondContact O-CA 3.48Å; V77-Y81 WeakPolarHBondContact O-CB 3.5Å; V77-Y81 PolarHBondContact O-N 3.43Å; V77-F111 HydrophobicContact CB-CE2 4.22Å; V77-F111 HydrophobicContact CB-CZ 4.2Å; V77-F111 HydrophobicContact CG1-CZ 4.28Å; V77-F111 HydrophobicContact CG2-CE2 3.8Å; V77-F111 HydrophobicContact CG2-CZ 4.05Å; V77-L115 HydrophobicContact CB-CD1 4.2Å; V77-L115 HydrophobicContact CG1-CD1 3.75Å; V77-L288 HydrophobicContact CG1-CD2 4.45Å
78R93.6Very high92.8Very high35 Ų3548.7 Ų48.713%0.13225%0.249CC..Hα-helixtrans-61.1-44174.7173.652.463.2-174.72.5111.9G74 L75 G82 V85 H86 L115 Y116G74-R78 PolarHBondContact O-N 3.31Å; L75-R78 PolarHBondContact O-N 3.05Å; R78-G82 WeakPolarHBondContact O-CA 3.28Å; R78-G82 PolarHBondContact O-N 3.49Å; R78-V85 PolarHBondContact NH1-O 3.28Å; R78-H86 PolarHBondContact NH1-O 3.33Å; R78-H86 PolarHBondContact NH2-O 2.95Å; R78-H86 VanDerWaalsContact NH2-O 3.11Å; R78-L115 HydrophobicContact CB-CD1 4.24Å; R78-L115 VanDerWaalsContact CZ-O 3.27Å; R78-L115 PolarHBondContact NE-O 2.79Å; R78-L115 PolarHBondContact NH2-O 2.89Å; R78-Y116 VanDerWaalsContact NH2-CD1 3.3Å; R78-Y116 VanDerWaalsContact NH2-CE1 3.29Å
79N93.5Very high92.4Very high134 Ų13446.7 Ų46.772%0.71724%0.235SC*.Hα-helixtrans-72.1-37.3-177.7-68.4-18.9000111.9L75 Y76L75-N79 WeakPolarHBondContact O-CB 3.12Å; L75-N79 VanDerWaalsContact O-CG 3.23Å; L75-N79 PolarHBondContact O-N 2.9Å; L75-N79 PolarHBondContact O-ND2 3.27Å; Y76-N79 PolarHBondContact O-N 2.86Å
80T94Very high92.2Very high53 Ų5348.8 Ų48.833%0.32525%0.246SC..Hα-helixtrans-83.6-37.7-175.1-51.20000112.5Y76Y76-T80 WeakPolarHBondContact CE2-OG1 3.31Å; Y76-T80 VanDerWaalsContact O-CB 3.27Å; Y76-T80 WeakPolarHBondContact O-CB 3.37Å; Y76-T80 PolarHBondContact O-N 2.92Å; Y76-T80 PolarHBondContact O-OG1 3.24Å
81Y94.3Very high91.8Very high6 Ų651.2 Ų51.22%0.02427%0.266CS..Hα-helixtrans-120.523.9-174.9-49.3-82.8000112.2P25 L28 Y76 V77 R83 L84 E321 F334 R343P25-Y81 HydrophobicContact CG-CD1 3.7Å; P25-Y81 HydrophobicContact CG-CE1 3.83Å; L28-Y81 HydrophobicContact CD1-CE1 4.26Å; L28-Y81 HydrophobicContact CD1-CE2 4.49Å; L28-Y81 HydrophobicContact CD2-CD1 3.95Å; L28-Y81 HydrophobicContact CD2-CD2 3.44Å; L28-Y81 VanDerWaalsContact CD2-CD2 3.44Å; L28-Y81 HydrophobicContact CD2-CE1 4.16Å; L28-Y81 HydrophobicContact CD2-CE2 3.69Å; L28-Y81 HydrophobicContact CD2-CG 3.57Å; Y76-Y81 HydrophobicContact CE1-CE2 4.27Å; V77-Y81 HydrophobicContact CB-CD2 4.43Å; V77-Y81 HydrophobicContact CG1-CD2 3.99Å; V77-Y81 WeakPolarHBondContact O-CA 3.48Å; V77-Y81 WeakPolarHBondContact O-CB 3.5Å; V77-Y81 PolarHBondContact O-N 3.43Å; Y81-R83 PolarHBondContact O-N 3.3Å; Y81-L84 VanDerWaalsContact O-CB 3.28Å; Y81-L84 WeakPolarHBondContact O-CB 3.49Å; Y81-L84 PolarHBondContact O-N 2.92Å; Y81-E321 HydrophobicContact CE1-CG 4.36Å; Y81-E321 VanDerWaalsContact CE1-OE1 3.29Å; Y81-E321 WeakPolarHBondContact CE1-OE1 3.45Å; Y81-E321 VanDerWaalsContact CZ-OE1 3.29Å; Y81-E321 PolarHBondContact OH-OE1 2.88Å; Y81-F334 VanDerWaalsContact OH-CE1 3.3Å; Y81-F334 WeakPolarHBondContact OH-CE1 3.22Å; Y81-F334 WeakPolarHBondContact OH-CZ 3.31Å; Y81-R343 PolarHBondContact OH-NH1 3.45Å
82G88.6Confident91.6Very high27 Ų2749.5 Ų49.528%0.27827%0.265SS..THydrogen-bonded Turntrans-60.3-21.1-174.700000114.8R78R78-G82 WeakPolarHBondContact O-CA 3.28Å; R78-G82 PolarHBondContact O-N 3.49Å
83R90.5Very high91.4Very high205 Ų20547.1 Ų47.177%0.77425%0.25SS*.THydrogen-bonded Turntrans-81.2-23.1174-65.4178.766.5-1575.7113.4D24 Y81D24-R83 WeakPolarHBondContact OD2-CB 3.43Å; D24-R83 VanDerWaalsContact OD2-CD 3.24Å; D24-R83 WeakPolarHBondContact OD2-CD 3.31Å; D24-R83 IonicContact OD2-CZ 3.06Å; D24-R83 IonicContact OD2-NE 3.98Å; D24-R83 PolarHBondContact OD2-NE 3.41Å; D24-R83 IonicContact OD2-NH1 2.71Å; D24-R83 PolarHBondContact OD2-NH1 2.91Å; D24-R83 IonicContact OD2-NH2 3.94Å; Y81-R83 PolarHBondContact O-N 3.3Å
84L91.9Very high91.2Very high15 Ų1547.4 Ų47.48%0.07925%0.251CS..THydrogen-bonded Turntrans-74.3-41.3-178.5179.255.4000111.9P25 L28 Y81 K287P25-L84 HydrophobicContact CG-CD2 4.3Å; P25-L84 WeakPolarHBondContact O-CD1 3.18Å; L28-L84 HydrophobicContact CB-CD2 3.58Å; Y81-L84 VanDerWaalsContact O-CB 3.28Å; Y81-L84 WeakPolarHBondContact O-CB 3.49Å; Y81-L84 PolarHBondContact O-N 2.92Å; L84-K287 HydrophobicContact CD1-CB 3.85Å; L84-K287 HydrophobicContact CD1-CD 4.43Å; L84-K287 HydrophobicContact CD1-CG 4.45Å; L84-K287 HydrophobicContact CG-CB 4.08Å; L84-K287 WeakPolarHBondContact O-CD 3.37Å
85V89.8Confident91.1Very high3 Ų349.6 Ų49.62%0.01826%0.261CS..SBendtrans-120.1137.6-179.2-67.90000110.8R78 L115 K287 L288R78-V85 PolarHBondContact NH1-O 3.28Å; V85-L115 HydrophobicContact CG2-CD1 4.45Å; V85-K287 HydrophobicContact CG1-CB 4.18Å; V85-L288 HydrophobicContact CG1-CB 3.72Å; V85-L288 HydrophobicContact CG1-CD2 4.29Å
86H87.9Confident91.3Very high88 Ų8847.4 Ų47.441%0.40725%0.25SS..  trans-56.8149.1-177-172.4-96.5000111.6R78 S88 I90 E93 Y116R78-H86 PolarHBondContact NH1-O 3.33Å; R78-H86 PolarHBondContact NH2-O 2.95Å; R78-H86 VanDerWaalsContact NH2-O 3.11Å; H86-S88 PolarHBondContact ND1-N 3.44Å; H86-S88 PolarHBondContact ND1-O 2.95Å; H86-S88 PolarHBondContact O-N 3.1Å; H86-I90 HydrophobicContact CB-CD1 3.59Å; H86-I90 HydrophobicContact CB-CG1 4.15Å; H86-E93 VanDerWaalsContact CB-OE2 3.26Å; H86-E93 WeakPolarHBondContact CB-OE2 3.28Å; H86-E93 PolarHBondContact N-OE2 3.5Å; H86-Y116 WeakPolarHBondContact O-CE1 3.5Å
87P86.3Confident91.3Very high73 Ų7347.7 Ų47.747%0.47425%0.251SS..SBendtrans-60.3-24.1177.9-27.836.7000114.5R127P87-R127 VanDerWaalsContact O-CZ 3.27Å; P87-R127 PolarHBondContact O-NH1 3.39Å; P87-R127 PolarHBondContact O-NH2 2.75Å
88S85.1Confident91.3Very high47 Ų4747.6 Ų47.633%0.32925%0.25SS..SBendtrans-107.9149.4172.1-620000110.6H86 I90 R127H86-S88 PolarHBondContact ND1-N 3.44Å; H86-S88 PolarHBondContact ND1-O 2.95Å; H86-S88 PolarHBondContact O-N 3.1Å; S88-I90 PolarHBondContact O-N 3.22Å; S88-R127 PolarHBondContact OG-NH2 3.48Å
89Y86.3Confident91.2Very high50 Ų5045.9 Ų45.920%0.19624%0.244CC..  trans-60124.9178.9169.7-114.5000111.7A91 I94 Y116 V130 P131Y89-A91 HydrophobicContact CE1-CB 4.23Å; Y89-A91 WeakPolarHBondContact OH-CA 3.48Å; Y89-A91 WeakPolarHBondContact OH-CB 3.41Å; Y89-I94 HydrophobicContact CD2-CG2 3.59Å; Y89-I94 HydrophobicContact CE2-CG2 3.45Å; Y89-I94 VanDerWaalsContact CE2-CG2 3.45Å; Y89-Y116 HydrophobicContact CD2-CE2 4.47Å; Y89-V130 HydrophobicContact CD1-CG2 4.32Å; Y89-V130 HydrophobicContact CD2-CB 4.38Å; Y89-V130 HydrophobicContact CD2-CG1 3.87Å; Y89-V130 HydrophobicContact CD2-CG2 3.81Å; Y89-V130 HydrophobicContact CE2-CG1 3.78Å; Y89-V130 HydrophobicContact CE2-CG2 4.42Å; Y89-V130 HydrophobicContact CG-CG2 3.75Å; Y89-P131 VanDerWaalsContact OH-CD 3.28Å; Y89-P131 WeakPolarHBondContact OH-CD 3.29Å
90I87.4Confident91.1Very high60 Ų6042.5 Ų42.531%0.30823%0.226SC..  trans-122.9118.8170-59.2179.2000106.8H86 S88 S92 E93H86-I90 HydrophobicContact CB-CD1 3.59Å; H86-I90 HydrophobicContact CB-CG1 4.15Å; S88-I90 PolarHBondContact O-N 3.22Å; I90-S92 VanDerWaalsContact CG2-OG 3.23Å; I90-S92 WeakPolarHBondContact CG2-OG 3.5Å; I90-S92 PolarHBondContact O-N 2.83Å; I90-E93 HydrophobicContact CB-CB 4.4Å; I90-E93 HydrophobicContact CB-CG 3.94Å; I90-E93 HydrophobicContact CG2-CG 4.06Å; I90-E93 PolarHBondContact O-N 3.1Å
91A88.3Confident91Very high52 Ų5242.8 Ų42.843%0.4322%0.223SC..THydrogen-bonded Turntrans-59-25.1-174.700000113.6Y89 R286Y89-A91 HydrophobicContact CE1-CB 4.23Å; Y89-A91 WeakPolarHBondContact OH-CA 3.48Å; Y89-A91 WeakPolarHBondContact OH-CB 3.41Å; A91-R286 PolarHBondContact O-NE 3.43Å; A91-R286 PolarHBondContact O-NH1 3.27Å; A91-R286 PolarHBondContact O-NH2 3.35Å
92S90.4Very high90.9Very high41 Ų4146.9 Ų46.929%0.28725%0.245SC..THydrogen-bonded Turntrans-76.1-19.417757.10000114.1I90 R286I90-S92 VanDerWaalsContact CG2-OG 3.23Å; I90-S92 WeakPolarHBondContact CG2-OG 3.5Å; I90-S92 PolarHBondContact O-N 2.83Å; S92-R286 VanDerWaalsContact CA-NH1 3.28Å; S92-R286 WeakPolarHBondContact O-CA 3.23Å; S92-R286 VanDerWaalsContact O-CD 3.22Å; S92-R286 WeakPolarHBondContact O-CD 3.22Å; S92-R286 PolarHBondContact O-N 3.5Å; S92-R286 PolarHBondContact O-NH1 3.13Å
93E91.2Very high91.1Very high16 Ų1645.7 Ų45.78%0.07523%0.232CC..THydrogen-bonded Turntrans-95.7-31-171.1-64.6-168.4152.400114H86 I90 K287 L288H86-E93 VanDerWaalsContact CB-OE2 3.26Å; H86-E93 WeakPolarHBondContact CB-OE2 3.28Å; H86-E93 PolarHBondContact N-OE2 3.5Å; I90-E93 HydrophobicContact CB-CB 4.4Å; I90-E93 HydrophobicContact CB-CG 3.94Å; I90-E93 HydrophobicContact CG2-CG 4.06Å; I90-E93 PolarHBondContact O-N 3.1Å; E93-K287 HydrophobicContact CB-CD 4.43Å; E93-K287 HydrophobicContact CG-CD 4.1Å; E93-K287 WeakPolarHBondContact O-CA 3.33Å; E93-K287 PolarHBondContact O-N 3.44Å; E93-K287 IonicContact OE1-NZ 3.22Å; E93-K287 PolarHBondContact OE1-NZ 3Å; E93-L288 PolarHBondContact O-N 2.87Å
94I93.2Very high91.4Very high5 Ų535.9 Ų35.93%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-124.7144.2-175.4-169.9175.7000112.1Y89 V96 L112 L115 Y116 R286 L288Y89-I94 HydrophobicContact CD2-CG2 3.59Å; Y89-I94 HydrophobicContact CE2-CG2 3.45Å; Y89-I94 VanDerWaalsContact CE2-CG2 3.45Å; I94-V96 HydrophobicContact CD1-CG2 3.86Å; I94-V96 HydrophobicContact CG1-CG2 3.97Å; I94-L112 HydrophobicContact CD1-CD2 4.2Å; I94-L115 HydrophobicContact CD1-CD2 3.55Å; I94-Y116 HydrophobicContact CD1-CE2 4.04Å; I94-R286 VanDerWaalsContact C-CD 3.47Å; I94-R286 WeakPolarHBondContact O-CD 3.45Å; I94-R286 PolarHBondContact O-NE 2.88Å; I94-R286 VanDerWaalsContact O-NE 3.09Å; I94-L288 CarbonylContact C-O 3.52Å; I94-L288 VanDerWaalsContact CA-O 3.29Å; I94-L288 WeakPolarHBondContact CA-O 3.42Å; I94-L288 HydrophobicContact CB-CB 4.48Å; I94-L288 HydrophobicContact CD1-CD2 3.75Å; I94-L288 HydrophobicContact CD1-CG 4.21Å; I94-L288 HydrophobicContact CG1-CB 4.13Å; I94-L288 HydrophobicContact CG1-CD2 4.11Å; I94-L288 HydrophobicContact CG1-CG 4.04Å
95H95.1Very high91.6Very high46 Ų4635.9 Ų35.921%0.21320%0.195CC..EExtended strand (participates in β ladder)trans-130.6128.1166.7179.873000109.6H133 L288 F289 H290H95-H133 AromaticContact CE1-CD2 3.34Å; H95-H133 PolarHBondContact CE1-CD2 3.19Å; H95-H133 AromaticContact CE1-CG 3.97Å; H95-H133 AromaticContact ND1-CD2 3.57Å; H95-H133 AromaticContact ND1-NE2 3.98Å; H95-L288 PolarHBondContact N-O 2.95Å; H95-F289 HydrophobicContact CB-CD1 3.75Å; H95-F289 HydrophobicContact CB-CE1 3.9Å; H95-F289 AromaticContact CD2-CD1 3.85Å; H95-F289 CarbonylContact O-C 3.58Å; H95-F289 WeakPolarHBondContact O-CA 3.29Å; H95-H290 PolarHBondContact O-N 2.87Å
96V97.2Very high91.9Very high2 Ų237.5 Ų37.51%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-119.8127.5-179.8-171.80000109.4I94 A108 L112 V130 V132 H133 H290I94-V96 HydrophobicContact CD1-CG2 3.86Å; I94-V96 HydrophobicContact CG1-CG2 3.97Å; V96-A108 HydrophobicContact CG1-CB 4.09Å; V96-L112 HydrophobicContact CG1-CD1 4.39Å; V96-L112 HydrophobicContact CG2-CD1 4.29Å; V96-L112 HydrophobicContact CG2-CD2 4.05Å; V96-V130 HydrophobicContact CG2-CG1 4.49Å; V96-V132 HydrophobicContact CG1-CG1 4.36Å; V96-V132 HydrophobicContact CG1-CG2 3.99Å; V96-H133 WeakPolarHBondContact O-CB 3.09Å; V96-H133 PolarHBondContact O-CD2 3.01Å; V96-H133 VanDerWaalsContact O-CD2 3.28Å; V96-H133 PolarHBondContact O-N 2.89Å; V96-H290 CarbonylContact C-O 3.55Å; V96-H290 VanDerWaalsContact CA-O 3.32Å; V96-H290 WeakPolarHBondContact CA-O 3.5Å; V96-H290 HydrophobicContact CG1-CB 4.36Å; V96-H290 HydrophobicContact CG2-CB 4.36Å
97R95.9Very high92.3Very high41 Ų4133.3 Ų33.316%0.15519%0.187CC..EExtended strand (participates in β ladder)trans-134.5136176.4-175.8-174.5168.9144-4.7110.7H133 D140 L143 H290 Y291 V292R97-H133 CarbonylContact C-O 3.41Å; R97-H133 VanDerWaalsContact CA-O 3.24Å; R97-H133 WeakPolarHBondContact CA-O 3.08Å; R97-H133 HydrophobicContact CB-CB 4.42Å; R97-H133 HydrophobicContact CG-CB 4.43Å; R97-H133 WeakPolarHBondContact CG-O 3.33Å; R97-D140 IonicContact CZ-OD1 2.59Å; R97-D140 IonicContact NH2-OD1 3.76Å; R97-D140 PolarHBondContact NH2-OD1 2.96Å; R97-D140 IonicContact NH2-OD2 3.83Å; R97-L143 HydrophobicContact CB-CD1 4.36Å; R97-L143 HydrophobicContact CG-CD1 3.74Å; R97-H290 PolarHBondContact N-O 2.96Å; R97-Y291 HydrophobicContact CB-CD1 3.91Å; R97-Y291 HydrophobicContact CB-CE1 4.14Å; R97-Y291 CarbonylContact O-C 3.43Å; R97-Y291 WeakPolarHBondContact O-CA 3.41Å; R97-V292 PolarHBondContact O-N 3.35Å
98S96.3Very high92.9Very high0 Ų029.8 Ų29.80%017%0.165CC..EExtended strand (participates in β ladder)trans-122.4154.9178.3176.80000110.5S104 I105 H133S98-S104 WeakPolarHBondContact OG-CB 3.22Å; S98-S104 PolarHBondContact OG-O 2.91Å; S98-I105 PolarHBondContact OG-N 3.25Å; S98-H133 PolarHBondContact N-O 3.37Å
99L91.7Very high93.4Very high0 Ų028.4 Ų28.40%015%0.153CC..EExtended strand (participates in β ladder)trans-53.5145.4155-85.5178000110.5K101 M137 L143 N144 V292 E294L99-K101 PolarHBondContact O-N 3.46Å; L99-M137 HydrophobicContact CD2-SD 3.88Å; L99-L143 VanDerWaalsContact CD2-C 3.46Å; L99-L143 HydrophobicContact CD2-CB 3.76Å; L99-L143 WeakPolarHBondContact CD2-O 3.37Å; L99-L143 HydrophobicContact CG-CB 3.82Å; L99-N144 HydrophobicContact CD2-CB 3.88Å; L99-V292 PolarHBondContact N-O 3.47Å; L99-E294 HydrophobicContact CD1-CG 3.62Å
100D92.7Very high93.8Very high62 Ų6226.5 Ų26.533%0.33215%0.147SC..SBendtrans-79.265.7177.8-162.640.9000111.3T134 E135 M137D100-T134 PolarHBondContact OD1-OG1 3.42Å; D100-T134 VanDerWaalsContact OD1-OG1 3.13Å; D100-E135 WeakPolarHBondContact CB-O 3.44Å; D100-M137 HydrophobicContact CB-CG 4.47Å
101K91.2Very high94.2Very high60 Ų6023.6 Ų23.626%0.26113%0.132SC..SBendtrans-135138173.8-71.2-179161.8-156.90109L99 A103 S104 I105 M137 E294L99-K101 PolarHBondContact O-N 3.46Å; K101-A103 VanDerWaalsContact C-N 3.28Å; K101-A103 PolarHBondContact O-N 3.12Å; K101-S104 PolarHBondContact O-N 3.07Å; K101-I105 VanDerWaalsContact O-CG1 3.31Å; K101-I105 WeakPolarHBondContact O-CG1 3.47Å; K101-I105 PolarHBondContact O-N 3.11Å; K101-M137 HydrophobicContact CG-SD 4.33Å; K101-E294 IonicContact NZ-OE1 3.9Å; K101-E294 PolarHBondContact NZ-OE1 3.06Å
102D92.7Very high94.4Very high91 Ų9121.6 Ų21.649%0.48711%0.114SC..Hα-helixtrans-55.1-43.1-177.3-61.5-12.6000112.7Q61 S106Q61-D102 PolarHBondContact NE2-OD2 2.96Å; D102-S106 WeakPolarHBondContact O-CB 3.34Å; D102-S106 PolarHBondContact O-N 3.5Å; D102-S106 PolarHBondContact O-OG 2.84Å
103A93.2Very high94.4Very high2 Ų222.5 Ų22.52%0.01711%0.114CC..Hα-helixtrans-64.7-43.5176.600000113.1E34 A37 K101 T107E34-A103 HydrophobicContact CG-CB 4.04Å; A37-A103 HydrophobicContact CB-CB 3.67Å; K101-A103 VanDerWaalsContact C-N 3.28Å; K101-A103 PolarHBondContact O-N 3.12Å; A103-T107 VanDerWaalsContact O-CB 3.32Å; A103-T107 WeakPolarHBondContact O-CB 3.48Å; A103-T107 PolarHBondContact O-N 3.07Å; A103-T107 PolarHBondContact O-OG1 3.3Å
104S95.2Very high94.4Very high0 Ų021.8 Ų21.80%011%0.111CC..Hα-helixtrans-63.7-45.7176.1-70.60000111.6E34 S98 K101 T107 A108E34-S104 WeakPolarHBondContact OE2-CB 3.46Å; E34-S104 PolarHBondContact OE2-N 3.3Å; E34-S104 VanDerWaalsContact OE2-N 3.12Å; E34-S104 PolarHBondContact OE2-OG 3.03Å; S98-S104 WeakPolarHBondContact OG-CB 3.22Å; S98-S104 PolarHBondContact OG-O 2.91Å; K101-S104 PolarHBondContact O-N 3.07Å; S104-T107 WeakPolarHBondContact O-CB 3.29Å; S104-T107 PolarHBondContact O-N 3.4Å; S104-A108 PolarHBondContact O-N 3.28Å
105I97.5Very high94.4Very high14 Ų1421.5 Ų21.57%0.07211%0.109CC..Hα-helixtrans-62.1-49.2178.7-65.4164.3000109.7S98 K101 T107 A108 L109 T134 V404S98-I105 PolarHBondContact OG-N 3.25Å; K101-I105 VanDerWaalsContact O-CG1 3.31Å; K101-I105 WeakPolarHBondContact O-CG1 3.47Å; K101-I105 PolarHBondContact O-N 3.11Å; I105-T107 VanDerWaalsContact C-N 3.25Å; I105-T107 PolarHBondContact O-N 3.32Å; I105-A108 WeakPolarHBondContact O-CB 3.37Å; I105-A108 PolarHBondContact O-N 2.51Å; I105-A108 VanDerWaalsContact O-N 3.13Å; I105-L109 HydrophobicContact CG2-CD1 4.14Å; I105-L109 WeakPolarHBondContact O-CG 2.99Å; I105-L109 PolarHBondContact O-N 2.82Å; I105-T134 HydrophobicContact CD1-CG2 3.85Å; I105-T134 HydrophobicContact CG1-CG2 3.72Å; I105-V404 HydrophobicContact CD1-CG2 4.24Å; I105-V404 HydrophobicContact CG2-CB 3.85Å; I105-V404 HydrophobicContact CG2-CG1 3.81Å; I105-V404 HydrophobicContact CG2-CG2 3.93Å
106S95.3Very high94.1Very high37 Ų3720 Ų2026%0.25910%0.102SC..Hα-helixtrans-62.4-34.8177.8-58.90000111.8D102 A108 L109 C110D102-S106 WeakPolarHBondContact O-CB 3.34Å; D102-S106 PolarHBondContact O-N 3.5Å; D102-S106 PolarHBondContact O-OG 2.84Å; S106-A108 VanDerWaalsContact C-N 3.34Å; S106-A108 PolarHBondContact O-N 3.15Å; S106-L109 PolarHBondContact O-N 2.91Å; S106-C110 PolarHBondContact O-N 2.82Å; S106-C110 PolarHBondContact O-SG 2.89Å; S106-C110 VanDerWaalsContact O-SG 3.35Å
107T97.2Very high93.3Very high0 Ų021.8 Ų21.80%011%0.112CC..Hα-helixtrans-60-47.9174.6-63.10000109.6A35 S70 A103 S104 I105 L109 C110 F111 V292A35-T107 HydrophobicContact CB-CG2 3.88Å; A35-T107 PolarHBondContact N-OG1 2.76Å; S70-T107 WeakPolarHBondContact CB-O 3.46Å; S70-T107 WeakPolarHBondContact OG-CG2 3.25Å; S70-T107 PolarHBondContact OG-O 2.9Å; A103-T107 VanDerWaalsContact O-CB 3.32Å; A103-T107 WeakPolarHBondContact O-CB 3.48Å; A103-T107 PolarHBondContact O-N 3.07Å; A103-T107 PolarHBondContact O-OG1 3.3Å; S104-T107 WeakPolarHBondContact O-CB 3.29Å; S104-T107 PolarHBondContact O-N 3.4Å; I105-T107 VanDerWaalsContact C-N 3.25Å; I105-T107 PolarHBondContact O-N 3.32Å; T107-L109 VanDerWaalsContact C-N 3.31Å; T107-L109 PolarHBondContact O-N 2.91Å; T107-C110 PolarHBondContact O-N 2.86Å; T107-F111 PolarHBondContact O-N 3.29Å; T107-V292 HydrophobicContact CG2-CG1 4.06Å
108A97.7Very high91.9Very high0 Ų022.5 Ų22.50%012%0.123CC..Hα-helixtrans-61.4-39.5176.800000112.5V96 S104 I105 S106 F111 L112 V132 V292V96-A108 HydrophobicContact CG1-CB 4.09Å; S104-A108 PolarHBondContact O-N 3.28Å; I105-A108 WeakPolarHBondContact O-CB 3.37Å; I105-A108 PolarHBondContact O-N 2.51Å; I105-A108 VanDerWaalsContact O-N 3.13Å; S106-A108 VanDerWaalsContact C-N 3.34Å; S106-A108 PolarHBondContact O-N 3.15Å; A108-F111 WeakPolarHBondContact O-CB 3.3Å; A108-F111 PolarHBondContact O-N 2.98Å; A108-L112 WeakPolarHBondContact O-CG 3.35Å; A108-L112 PolarHBondContact O-N 3.08Å; A108-V132 HydrophobicContact CB-CG1 3.81Å; A108-V132 HydrophobicContact CB-CG2 3.85Å; A108-V292 HydrophobicContact CB-CG2 3.71Å
109L95Very high90.3Very high17 Ų1730.2 Ų30.29%0.08916%0.164CC..Hα-helixtrans-66-43.9177.7-67.2174.8000112.6I105 S106 T107 F111 L112 Q113 V132 V404 W406I105-L109 HydrophobicContact CG2-CD1 4.14Å; I105-L109 WeakPolarHBondContact O-CG 2.99Å; I105-L109 PolarHBondContact O-N 2.82Å; S106-L109 PolarHBondContact O-N 2.91Å; T107-L109 VanDerWaalsContact C-N 3.31Å; T107-L109 PolarHBondContact O-N 2.91Å; L109-F111 VanDerWaalsContact C-N 3.33Å; L109-F111 PolarHBondContact O-N 3.43Å; L109-L112 HydrophobicContact CD2-CD1 4.47Å; L109-L112 WeakPolarHBondContact O-CB 3.43Å; L109-L112 PolarHBondContact O-N 2.97Å; L109-Q113 WeakPolarHBondContact O-CG 3.39Å; L109-Q113 PolarHBondContact O-N 3.39Å; L109-Q113 VanDerWaalsContact O-N 3.12Å; L109-V132 HydrophobicContact CD2-CG2 3.57Å; L109-V132 HydrophobicContact CG-CG2 4.14Å; L109-V404 HydrophobicContact CD1-CG1 4.31Å; L109-W406 HydrophobicContact CD1-CB 3.86Å; L109-W406 HydrophobicContact CD1-CG 4.22Å; L109-W406 HydrophobicContact CD2-CB 3.43Å; L109-W406 VanDerWaalsContact CD2-CB 3.43Å; L109-W406 HydrophobicContact CD2-CG 4.36Å; L109-W406 HydrophobicContact CG-CB 4.12Å
110C94.6Very high88.5Confident10 Ų1037 Ų377%0.06820%0.195CC..Hα-helixtrans-64.7-38175.4-65.60000111.6C67 Y71 S106 T107 L112 Q113 G114C67-C110 VanDerWaalsContact CA-SG 3.56Å; C67-C110 HydrophobicContact CB-CB 3.99Å; C67-C110 WeakPolarHBondContact CB-SG 3.32Å; C67-C110 WeakPolarHBondContact O-CB 3.36Å; C67-C110 WeakPolarHBondContact SG-CB 3.11Å; C67-C110 CovalentContact SG-SG 2.04Å; C67-C110 PolarHBondContact SG-SG 2.71Å; Y71-C110 VanDerWaalsContact CA-O 3.31Å; Y71-C110 WeakPolarHBondContact CA-O 3.34Å; S106-C110 PolarHBondContact O-N 2.82Å; S106-C110 PolarHBondContact O-SG 2.89Å; S106-C110 VanDerWaalsContact O-SG 3.35Å; T107-C110 PolarHBondContact O-N 2.86Å; C110-L112 VanDerWaalsContact C-N 3.32Å; C110-L112 PolarHBondContact O-N 2.93Å; C110-Q113 PolarHBondContact O-N 2.73Å; C110-G114 PolarHBondContact O-N 2.93Å
111F95.9Very high86.3Confident0 Ų040.7 Ų40.70%023%0.225CC..Hα-helixtrans-57.4-45.7171.4170.8-96.2000111.6L30 S70 F73 G74 V77 T107 A108 L109 Q113 G114 L115 H290L30-F111 HydrophobicContact CD1-CE2 4.36Å; L30-F111 HydrophobicContact CD1-CZ 3.95Å; S70-F111 WeakPolarHBondContact O-CA 3.32Å; S70-F111 WeakPolarHBondContact OG-CB 3.44Å; S70-F111 PolarHBondContact OG-N 3.21Å; F73-F111 HydrophobicContact CB-CD2 4.42Å; F73-F111 AromaticContact CD1-CD2 3.51Å; F73-F111 HydrophobicContact CD1-CD2 3.51Å; F73-F111 AromaticContact CD1-CE2 3.55Å; F73-F111 HydrophobicContact CD1-CE2 3.55Å; F73-F111 HydrophobicContact CE1-CD2 4.06Å; F73-F111 AromaticContact CE1-CE2 3.71Å; F73-F111 HydrophobicContact CE1-CE2 3.71Å; F73-F111 HydrophobicContact CG-CD2 4.19Å; F73-F111 HydrophobicContact CG-CE2 4.17Å; F73-F111 HydrophobicContact CZ-CE2 4.46Å; G74-F111 WeakPolarHBondContact CA-O 3.42Å; V77-F111 HydrophobicContact CB-CE2 4.22Å; V77-F111 HydrophobicContact CB-CZ 4.2Å; V77-F111 HydrophobicContact CG1-CZ 4.28Å; V77-F111 HydrophobicContact CG2-CE2 3.8Å; V77-F111 HydrophobicContact CG2-CZ 4.05Å; T107-F111 PolarHBondContact O-N 3.29Å; A108-F111 WeakPolarHBondContact O-CB 3.3Å; A108-F111 PolarHBondContact O-N 2.98Å; L109-F111 VanDerWaalsContact C-N 3.33Å; L109-F111 PolarHBondContact O-N 3.43Å; F111-Q113 VanDerWaalsContact C-N 3.31Å; F111-Q113 PolarHBondContact O-N 3.05Å; F111-G114 PolarHBondContact O-N 3.06Å; F111-G114 VanDerWaalsContact O-N 3.1Å; F111-L115 HydrophobicContact CE1-CB 4.27Å; F111-L115 HydrophobicContact CE1-CD2 3.85Å; F111-L115 HydrophobicContact CZ-CD2 4.29Å; F111-L115 PolarHBondContact O-N 2.95Å; F111-H290 AromaticContact CD1-CE1 3.33Å; F111-H290 WeakPolarHBondContact CD1-CE1 3.47Å; F111-H290 AromaticContact CD1-CG 3.92Å; F111-H290 AromaticContact CD1-ND1 3.43Å; F111-H290 WeakPolarHBondContact CD1-ND1 3.35Å; F111-H290 AromaticContact CD1-NE2 3.78Å; F111-H290 HydrophobicContact CE1-CB 4.21Å; F111-H290 AromaticContact CE1-CD2 3.96Å; F111-H290 AromaticContact CE1-CE1 3.91Å; F111-H290 AromaticContact CE1-CG 3.74Å; F111-H290 AromaticContact CE1-ND1 3.73Å; F111-H290 AromaticContact CG-CE1 3.52Å; F111-H290 AromaticContact CG-NE2 3.77Å
112L94.1Very high84.4Confident10 Ų1041.7 Ų41.75%0.05223%0.233CC..Hα-helixtrans-63.9-33-179.5-77.7166.1000113.5I94 V96 A108 L109 C110 G114 L115 Y116 V130 V132I94-L112 HydrophobicContact CD1-CD2 4.2Å; V96-L112 HydrophobicContact CG1-CD1 4.39Å; V96-L112 HydrophobicContact CG2-CD1 4.29Å; V96-L112 HydrophobicContact CG2-CD2 4.05Å; A108-L112 WeakPolarHBondContact O-CG 3.35Å; A108-L112 PolarHBondContact O-N 3.08Å; L109-L112 HydrophobicContact CD2-CD1 4.47Å; L109-L112 WeakPolarHBondContact O-CB 3.43Å; L109-L112 PolarHBondContact O-N 2.97Å; C110-L112 VanDerWaalsContact C-N 3.32Å; C110-L112 PolarHBondContact O-N 2.93Å; L112-G114 VanDerWaalsContact C-N 3.31Å; L112-G114 PolarHBondContact O-N 3.26Å; L112-L115 HydrophobicContact CD2-CD2 4.4Å; L112-L115 PolarHBondContact O-N 3.42Å; L112-Y116 HydrophobicContact CD2-CD2 4.11Å; L112-Y116 HydrophobicContact CD2-CE2 4.18Å; L112-Y116 PolarHBondContact O-N 2.89Å; L112-V130 HydrophobicContact CD1-CB 3.9Å; L112-V130 HydrophobicContact CD1-CG1 3.85Å; L112-V130 HydrophobicContact CD2-CB 4.06Å; L112-V130 HydrophobicContact CD2-CG1 3.62Å; L112-V130 HydrophobicContact CD2-CG2 4.46Å; L112-V130 HydrophobicContact CG-CB 4.47Å; L112-V130 HydrophobicContact CG-CG1 4.34Å; L112-V132 HydrophobicContact CD1-CG2 3.69Å
113Q89.7Confident82.3Confident60 Ų6041.9 Ų41.928%0.2824%0.239SC..Hα-helixtrans-64.4-36.1173.3-68.8170.817.800112.2Y71 L109 C110 F111 W406Y71-Q113 HydrophobicContact CD2-CB 3.88Å; Y71-Q113 HydrophobicContact CE2-CB 4.21Å; L109-Q113 WeakPolarHBondContact O-CG 3.39Å; L109-Q113 PolarHBondContact O-N 3.39Å; L109-Q113 VanDerWaalsContact O-N 3.12Å; C110-Q113 PolarHBondContact O-N 2.73Å; F111-Q113 VanDerWaalsContact C-N 3.31Å; F111-Q113 PolarHBondContact O-N 3.05Å; Q113-W406 HydrophobicContact CG-CE3 4.2Å; Q113-W406 HydrophobicContact CG-CH2 3.94Å; Q113-W406 HydrophobicContact CG-CZ3 3.59Å; Q113-W406 VanDerWaalsContact NE2-CZ3 3.28Å
114G91.1Very high80.3Confident0 Ų045.5 Ų45.50%027%0.269CS..Hα-helixtrans-75.2-37.4173.800000112.5Y71 G74 C110 F111 L112 V117Y71-G114 VanDerWaalsContact CD2-N 3.3Å; Y71-G114 WeakPolarHBondContact O-CA 3.49Å; G74-G114 CarbonylContact C-O 3.51Å; C110-G114 PolarHBondContact O-N 2.93Å; F111-G114 PolarHBondContact O-N 3.06Å; F111-G114 VanDerWaalsContact O-N 3.1Å; L112-G114 VanDerWaalsContact C-N 3.31Å; L112-G114 PolarHBondContact O-N 3.26Å; G114-V117 WeakPolarHBondContact O-CG2 3.4Å
115L92.7Very high78.2Confident0 Ų046.8 Ų46.80%028%0.277CS..Hα-helixtrans-70.1-40.3179.4-178.363.1000112.3V77 R78 V85 I94 F111 L112 L288V77-L115 HydrophobicContact CB-CD1 4.2Å; V77-L115 HydrophobicContact CG1-CD1 3.75Å; R78-L115 HydrophobicContact CB-CD1 4.24Å; R78-L115 VanDerWaalsContact CZ-O 3.27Å; R78-L115 PolarHBondContact NE-O 2.79Å; R78-L115 PolarHBondContact NH2-O 2.89Å; V85-L115 HydrophobicContact CG2-CD1 4.45Å; I94-L115 HydrophobicContact CD1-CD2 3.55Å; F111-L115 HydrophobicContact CE1-CB 4.27Å; F111-L115 HydrophobicContact CE1-CD2 3.85Å; F111-L115 HydrophobicContact CZ-CD2 4.29Å; F111-L115 PolarHBondContact O-N 2.95Å; L112-L115 HydrophobicContact CD2-CD2 4.4Å; L112-L115 PolarHBondContact O-N 3.42Å; L115-L288 HydrophobicContact CD2-CD2 3.7Å
116Y88.5Confident76Confident14 Ų1449.8 Ų49.86%0.05529%0.293CS..THydrogen-bonded Turntrans-113.256.3-178.4-69.9-73.3000111.3R78 H86 Y89 I94 L112 C118 R127 V130R78-Y116 VanDerWaalsContact NH2-CD1 3.3Å; R78-Y116 VanDerWaalsContact NH2-CE1 3.29Å; H86-Y116 WeakPolarHBondContact O-CE1 3.5Å; Y89-Y116 HydrophobicContact CD2-CE2 4.47Å; I94-Y116 HydrophobicContact CD1-CE2 4.04Å; L112-Y116 HydrophobicContact CD2-CD2 4.11Å; L112-Y116 HydrophobicContact CD2-CE2 4.18Å; L112-Y116 PolarHBondContact O-N 2.89Å; Y116-C118 PolarHBondContact O-N 3.49Å; Y116-R127 PolarHBondContact O-NH1 2.04Å; Y116-V130 HydrophobicContact CD2-CG2 4.14Å; Y116-V130 HydrophobicContact CE2-CG2 4.34Å
117V80.3Confident74.2Confident39 Ų3951.1 Ų51.124%0.23629%0.293CS..  trans-49.6124.8179.3-169.60000111L75 G114 L119 R127L75-V117 HydrophobicContact CD2-CG2 3.34Å; G114-V117 WeakPolarHBondContact O-CG2 3.4Å; V117-L119 HydrophobicContact CG1-CD2 4.01Å; V117-L119 HydrophobicContact CG1-CG 4.42Å; V117-L119 PolarHBondContact O-N 2.96Å; V117-R127 PolarHBondContact O-NH1 3Å
118C68.3Low72.6Confident57 Ų5755.8 Ų55.839%0.38532%0.321SS..  trans-83.593.9166.6-84.60000109.3Y116 Q120 C125Y116-C118 PolarHBondContact O-N 3.49Å; C118-Q120 PolarHBondContact O-N 3.41Å; C118-C125 WeakPolarHBondContact CA-SG 3.44Å; C118-C125 HydrophobicContact CB-CB 3.95Å; C118-C125 WeakPolarHBondContact CB-SG 3.43Å; C118-C125 WeakPolarHBondContact SG-CB 3.38Å; C118-C125 PolarHBondContact SG-O 3.18Å; C118-C125 CovalentContact SG-SG 2.06Å; C118-C125 PolarHBondContact SG-SG 2.94Å
119L62Low71.5Confident162 Ų16256.5 Ų56.585%0.84833%0.329SS*.SBendtrans-66.7-19.6178.6-67.2172000112.9V117V117-L119 HydrophobicContact CG1-CD2 4.01Å; V117-L119 HydrophobicContact CG1-CG 4.42Å; V117-L119 PolarHBondContact O-N 2.96Å
120Q53.2Low71.1Confident142 Ų14256.5 Ų56.566%0.66433%0.33SS*.SBendtrans-123.9131.3175.6-70.4172.9-900108.2C118 N122 C125C118-Q120 PolarHBondContact O-N 3.41Å; Q120-N122 HydrophobicContact CB-CB 4.29Å; Q120-N122 PolarHBondContact O-N 3.23Å; Q120-C125 WeakPolarHBondContact O-CB 3.28Å
121C47.2Very low71.1Confident140 Ų14057.2 Ų57.295%0.94633%0.334SS*.  trans-64.246.1159.7-66.90000110.7P123C121-P123 WeakPolarHBondContact O-CD 3.38Å
122N50.8Low71.1Confident81 Ų8157.2 Ų57.243%0.43333%0.334SS..  trans-73.9124.8164-173.3-14.9000105.5Q120 A124 C125Q120-N122 HydrophobicContact CB-CB 4.29Å; Q120-N122 PolarHBondContact O-N 3.23Å; N122-A124 PolarHBondContact O-N 2.82Å; N122-A124 VanDerWaalsContact O-N 3.12Å; N122-A124 VanDerWaalsContact OD1-CB 3.24Å; N122-A124 WeakPolarHBondContact OD1-CB 3.31Å; N122-A124 PolarHBondContact OD1-N 3.23Å; N122-C125 HydrophobicContact CB-CB 4.24Å; N122-C125 VanDerWaalsContact O-CA 3.26Å; N122-C125 WeakPolarHBondContact O-CA 3.45Å; N122-C125 WeakPolarHBondContact O-CB 3.32Å; N122-C125 PolarHBondContact O-N 3.5Å
123P49.5Very low71.2Confident94 Ų9458.9 Ų58.961%0.6134%0.341SS*.G310 helixtrans-53.8-27.3169.1-23.833.1000111.8C121 C125 L126C121-P123 WeakPolarHBondContact O-CD 3.38Å; P123-C125 PolarHBondContact O-N 3.37Å; P123-L126 WeakPolarHBondContact O-CB 3.37Å; P123-L126 VanDerWaalsContact O-CD1 3.24Å; P123-L126 WeakPolarHBondContact O-CD1 3.43Å; P123-L126 WeakPolarHBondContact O-CG 3.33Å; P123-L126 PolarHBondContact O-N 2.89Å
124A50.3Low71.5Confident78 Ų7856.3 Ų56.365%0.64533%0.329SS*.G310 helixtrans-71.3-15.117100000113.8N122 L126N122-A124 PolarHBondContact O-N 2.82Å; N122-A124 VanDerWaalsContact O-N 3.12Å; N122-A124 VanDerWaalsContact OD1-CB 3.24Å; N122-A124 WeakPolarHBondContact OD1-CB 3.31Å; N122-A124 PolarHBondContact OD1-N 3.23Å; A124-L126 PolarHBondContact O-N 3.44Å
125C52Low71.3Confident27 Ų2759 Ų5918%0.18234%0.342CS..G310 helixtrans-78.55.7163.3-149.50000112.4C118 Q120 N122 P123 R127C118-C125 WeakPolarHBondContact CA-SG 3.44Å; C118-C125 HydrophobicContact CB-CB 3.95Å; C118-C125 WeakPolarHBondContact CB-SG 3.43Å; C118-C125 WeakPolarHBondContact SG-CB 3.38Å; C118-C125 PolarHBondContact SG-O 3.18Å; C118-C125 CovalentContact SG-SG 2.06Å; C118-C125 PolarHBondContact SG-SG 2.94Å; Q120-C125 WeakPolarHBondContact O-CB 3.28Å; N122-C125 HydrophobicContact CB-CB 4.24Å; N122-C125 VanDerWaalsContact O-CA 3.26Å; N122-C125 WeakPolarHBondContact O-CA 3.45Å; N122-C125 WeakPolarHBondContact O-CB 3.32Å; N122-C125 PolarHBondContact O-N 3.5Å; P123-C125 PolarHBondContact O-N 3.37Å; C125-R127 PolarHBondContact O-N 3.09Å
126L51.5Low71.1Confident78 Ų7860 Ų6041%0.40835%0.349SS..SBendtrans-61.366.9146.9-69.3157.2000107.4P123 A124 T128 P408 V410P123-L126 WeakPolarHBondContact O-CB 3.37Å; P123-L126 VanDerWaalsContact O-CD1 3.24Å; P123-L126 WeakPolarHBondContact O-CD1 3.43Å; P123-L126 WeakPolarHBondContact O-CG 3.33Å; P123-L126 PolarHBondContact O-N 2.89Å; A124-L126 PolarHBondContact O-N 3.44Å; L126-T128 PolarHBondContact O-N 3.39Å; L126-P408 HydrophobicContact CD2-CG 4.21Å; L126-V410 HydrophobicContact CD1-CG2 3.7Å; L126-V410 HydrophobicContact CD2-CG2 4.01Å; L126-V410 HydrophobicContact CG-CG2 4.42Å
127R57.4Low70.8Confident64 Ų6462 Ų6224%0.24236%0.36CS..  trans-59.7125.1179-79.7178162.4157.2-5.9104.4P87 S88 Y116 V117 C125 G129P87-R127 VanDerWaalsContact O-CZ 3.27Å; P87-R127 PolarHBondContact O-NH1 3.39Å; P87-R127 PolarHBondContact O-NH2 2.75Å; S88-R127 PolarHBondContact OG-NH2 3.48Å; Y116-R127 PolarHBondContact O-NH1 2.04Å; V117-R127 PolarHBondContact O-NH1 3Å; C125-R127 PolarHBondContact O-N 3.09Å; R127-G129 PolarHBondContact O-N 3.22Å
128T62.4Low70.9Confident98 Ų9865.8 Ų65.860%0.60138%0.379SS*.  trans-18109.3162.738.90000110.9L126 V130L126-T128 PolarHBondContact O-N 3.39Å; T128-V130 PolarHBondContact O-N 3.35Å; T128-V130 VanDerWaalsContact O-N 3.11Å
129G74.2Confident71.4Confident15 Ų1570.3 Ų70.316%0.15539%0.388CS..PPolyproline II helixtrans-52.2124.8-17400000110R127 P131 W406R127-G129 PolarHBondContact O-N 3.22Å; G129-P131 WeakPolarHBondContact O-CD 3.37Å; G129-W406 WeakPolarHBondContact CA-O 3.41Å
130V88.5Confident72.4Confident18 Ų1862.6 Ų62.611%0.10935%0.347CS..PPolyproline II helixtrans-75.6121.3-176.6-177.90000107.8Y89 V96 L112 Y116 T128 V132Y89-V130 HydrophobicContact CD1-CG2 4.32Å; Y89-V130 HydrophobicContact CD2-CB 4.38Å; Y89-V130 HydrophobicContact CD2-CG1 3.87Å; Y89-V130 HydrophobicContact CD2-CG2 3.81Å; Y89-V130 HydrophobicContact CE2-CG1 3.78Å; Y89-V130 HydrophobicContact CE2-CG2 4.42Å; Y89-V130 HydrophobicContact CG-CG2 3.75Å; V96-V130 HydrophobicContact CG2-CG1 4.49Å; L112-V130 HydrophobicContact CD1-CB 3.9Å; L112-V130 HydrophobicContact CD1-CG1 3.85Å; L112-V130 HydrophobicContact CD2-CB 4.06Å; L112-V130 HydrophobicContact CD2-CG1 3.62Å; L112-V130 HydrophobicContact CD2-CG2 4.46Å; L112-V130 HydrophobicContact CG-CB 4.47Å; L112-V130 HydrophobicContact CG-CG1 4.34Å; Y116-V130 HydrophobicContact CD2-CG2 4.14Å; Y116-V130 HydrophobicContact CE2-CG2 4.34Å; T128-V130 PolarHBondContact O-N 3.35Å; T128-V130 VanDerWaalsContact O-N 3.11Å; V130-V132 PolarHBondContact O-N 3.44Å
131P92.9Very high73.6Confident24 Ų2459.8 Ų59.816%0.15633%0.333CS..EExtended strand (participates in β ladder)trans-70.5129.4-173.827.2-33.6000111.1Y89 G129 A403Y89-P131 VanDerWaalsContact OH-CD 3.28Å; Y89-P131 WeakPolarHBondContact OH-CD 3.29Å; G129-P131 WeakPolarHBondContact O-CD 3.37Å; P131-A403 HydrophobicContact CB-CB 3.84Å
132V96.5Very high75.4Confident0 Ų053.6 Ų53.60%029%0.291CS..EExtended strand (participates in β ladder)trans-100.1110.6165.6177.60000108V96 A108 L109 L112 V130 A403 V404V96-V132 HydrophobicContact CG1-CG1 4.36Å; V96-V132 HydrophobicContact CG1-CG2 3.99Å; A108-V132 HydrophobicContact CB-CG1 3.81Å; A108-V132 HydrophobicContact CB-CG2 3.85Å; L109-V132 HydrophobicContact CD2-CG2 3.57Å; L109-V132 HydrophobicContact CG-CG2 4.14Å; L112-V132 HydrophobicContact CD1-CG2 3.69Å; V130-V132 PolarHBondContact O-N 3.44Å; V132-A403 CarbonylContact O-C 3.54Å; V132-A403 WeakPolarHBondContact O-CA 3.43Å; V132-V404 PolarHBondContact N-O 2.86Å; V132-V404 PolarHBondContact O-N 3.3Å
133H97.1Very high77.2Confident46 Ų4649.9 Ų49.921%0.21327%0.27CS..EExtended strand (participates in β ladder)trans-79.3139.5-179.8-66.2-71.3000111.4H95 V96 R97 S98 V401H95-H133 AromaticContact CE1-CD2 3.34Å; H95-H133 PolarHBondContact CE1-CD2 3.19Å; H95-H133 AromaticContact CE1-CG 3.97Å; H95-H133 AromaticContact ND1-CD2 3.57Å; H95-H133 AromaticContact ND1-NE2 3.98Å; V96-H133 WeakPolarHBondContact O-CB 3.09Å; V96-H133 PolarHBondContact O-CD2 3.01Å; V96-H133 VanDerWaalsContact O-CD2 3.28Å; V96-H133 PolarHBondContact O-N 2.89Å; R97-H133 CarbonylContact C-O 3.41Å; R97-H133 VanDerWaalsContact CA-O 3.24Å; R97-H133 WeakPolarHBondContact CA-O 3.08Å; R97-H133 HydrophobicContact CB-CB 4.42Å; R97-H133 HydrophobicContact CG-CB 4.43Å; R97-H133 WeakPolarHBondContact CG-O 3.33Å; S98-H133 PolarHBondContact N-O 3.37Å; H133-V401 HydrophobicContact CB-CG1 3.65Å
134T94.3Very high78.9Confident5 Ų546 Ų463%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-129.7156.2172.569.80000111.7D100 I105 K402D100-T134 PolarHBondContact OD1-OG1 3.42Å; D100-T134 VanDerWaalsContact OD1-OG1 3.13Å; I105-T134 HydrophobicContact CD1-CG2 3.85Å; I105-T134 HydrophobicContact CG1-CG2 3.72Å; T134-K402 PolarHBondContact N-O 2.63Å
135E87.5Confident80.3Confident56 Ų5643 Ų4326%0.26222%0.218SC..EExtended strand (participates in β ladder)trans-124140.8165.4-78.1-65.6172.400108.3D100 D140D100-E135 WeakPolarHBondContact CB-O 3.44Å; E135-D140 HydrophobicContact CB-CB 3.92Å
136S89.5Confident81.6Confident22 Ų2245.1 Ų45.115%0.15422%0.223CC..  trans-59.2143.9-176.763.20000111.5D138 R139 D140S136-D138 WeakPolarHBondContact CB-OD1 3.47Å; S136-D138 PolarHBondContact O-N 2.99Å; S136-D138 PolarHBondContact OG-OD1 3.32Å; S136-R139 CarbonylContact O-C 3.58Å; S136-R139 WeakPolarHBondContact O-CA 3.44Å; S136-R139 PolarHBondContact O-N 3.24Å; S136-R139 PolarHBondContact OG-NE 3.2Å; S136-R139 PolarHBondContact OG-NH2 2.91Å; S136-D140 PolarHBondContact O-N 3.42Å
137M82.4Confident82.8Confident57 Ų5742.7 Ų42.728%0.28121%0.214SC..THydrogen-bonded Turntrans-53.5-32.1-172.1-73.7-66.1-67.500114.8L99 D100 K101 R139 N144L99-M137 HydrophobicContact CD2-SD 3.88Å; D100-M137 HydrophobicContact CB-CG 4.47Å; K101-M137 HydrophobicContact CG-SD 4.33Å; M137-R139 VanDerWaalsContact C-N 3.31Å; M137-N144 HydrophobicContact CE-CB 4.49Å; M137-N144 PolarHBondContact O-ND2 3.14Å
138D80.4Confident83.6Confident117 Ų11746 Ų4663%0.62624%0.237SC*.THydrogen-bonded Turntrans-73-19.6177.464.1-47.3000113.7S136S136-D138 WeakPolarHBondContact CB-OD1 3.47Å; S136-D138 PolarHBondContact O-N 2.99Å; S136-D138 PolarHBondContact OG-OD1 3.32Å
139R80.4Confident84.4Confident152 Ų15242.9 Ų42.957%0.57422%0.219SC*.THydrogen-bonded Turntrans-116.9-9.2-177.3-62.5-174.7-64-135.9-1.2114S136 M137 F141S136-R139 CarbonylContact O-C 3.58Å; S136-R139 WeakPolarHBondContact O-CA 3.44Å; S136-R139 PolarHBondContact O-N 3.24Å; S136-R139 PolarHBondContact OG-NE 3.2Å; S136-R139 PolarHBondContact OG-NH2 2.91Å; M137-R139 VanDerWaalsContact C-N 3.31Å; R139-F141 WeakPolarHBondContact O-CD2 3.26Å; R139-F141 WeakPolarHBondContact O-CE2 3.25Å; R139-F141 PolarHBondContact O-N 3.15Å
140D82Confident84.8Confident1 Ų146.5 Ų46.51%0.00524%0.239CC..  trans-81.275.5-178.4-166.2-5.3000113R97 E135 S136 L142 L143 N144R97-D140 IonicContact CZ-OD1 2.59Å; R97-D140 IonicContact NH2-OD1 3.76Å; R97-D140 PolarHBondContact NH2-OD1 2.96Å; R97-D140 IonicContact NH2-OD2 3.83Å; E135-D140 HydrophobicContact CB-CB 3.92Å; S136-D140 PolarHBondContact O-N 3.42Å; D140-L142 PolarHBondContact O-N 3.43Å; D140-L142 WeakPolarHBondContact OD1-CB 3.42Å; D140-L142 PolarHBondContact OD1-N 2.89Å; D140-L142 VanDerWaalsContact OD1-N 3.1Å; D140-L143 PolarHBondContact OD1-N 2.78Å; D140-N144 HydrophobicContact CB-CB 4.25Å; D140-N144 WeakPolarHBondContact O-CB 3.16Å; D140-N144 PolarHBondContact O-N 2.82Å; D140-N144 VanDerWaalsContact O-N 3.17Å
141F79.7Confident84.5Confident82 Ų8248.1 Ų48.136%0.3625%0.249SC..THydrogen-bonded Turntrans-72.6-2.7175.2-56.3-79.9000114.1R139 A147R139-F141 WeakPolarHBondContact O-CD2 3.26Å; R139-F141 WeakPolarHBondContact O-CE2 3.25Å; R139-F141 PolarHBondContact O-N 3.15Å; F141-A147 HydrophobicContact CD1-CB 3.88Å; F141-A147 HydrophobicContact CE1-CB 4.24Å
142L84.5Confident84Confident11 Ų1148.3 Ų48.36%0.05825%0.247CC..THydrogen-bonded Turntrans-90-55.5-179-173.367.3000111.7D140 Y265 L266 T269 Y291D140-L142 PolarHBondContact O-N 3.43Å; D140-L142 WeakPolarHBondContact OD1-CB 3.42Å; D140-L142 PolarHBondContact OD1-N 2.89Å; D140-L142 VanDerWaalsContact OD1-N 3.1Å; L142-Y265 HydrophobicContact CB-CD1 3.9Å; L142-Y265 HydrophobicContact CB-CE1 3.67Å; L142-Y265 HydrophobicContact CD1-CD1 3.57Å; L142-Y265 HydrophobicContact CD1-CE1 3.73Å; L142-Y265 HydrophobicContact CD1-CG 4.2Å; L142-Y265 HydrophobicContact CG-CD1 4.36Å; L142-Y265 HydrophobicContact CG-CE1 4.27Å; L142-L266 HydrophobicContact CD1-CB 4.3Å; L142-L266 HydrophobicContact CD1-CD1 3.98Å; L142-L266 HydrophobicContact CG-CD1 4.18Å; L142-T269 HydrophobicContact CD1-CG2 4.37Å; L142-T269 WeakPolarHBondContact CD1-OG1 3.34Å; L142-Y291 HydrophobicContact CD2-CE1 4.13Å
143L87.7Confident83.4Confident2 Ų254.2 Ų54.21%0.0127%0.272CS..THydrogen-bonded Turntrans-103.7-15-173.3-56.1179.1000112.4R97 L99 D140 C145 L266 Y291 T293R97-L143 HydrophobicContact CB-CD1 4.36Å; R97-L143 HydrophobicContact CG-CD1 3.74Å; L99-L143 VanDerWaalsContact CD2-C 3.46Å; L99-L143 HydrophobicContact CD2-CB 3.76Å; L99-L143 WeakPolarHBondContact CD2-O 3.37Å; L99-L143 HydrophobicContact CG-CB 3.82Å; D140-L143 PolarHBondContact OD1-N 2.78Å; L143-C145 PolarHBondContact O-N 3.08Å; L143-L266 HydrophobicContact CD2-CD1 4.09Å; L143-Y291 HydrophobicContact CD1-CD1 4.35Å; L143-Y291 HydrophobicContact CD2-CD1 3.97Å; L143-Y291 HydrophobicContact CD2-CG 4.26Å; L143-T293 PolarHBondContact O-OG1 3.11Å
144N85Confident83.1Confident14 Ų1455.3 Ų55.38%0.07529%0.286CS..  trans-90.891.7177.6-1747.8000111.3L99 M137 D140 R146 A147L99-N144 HydrophobicContact CD2-CB 3.88Å; M137-N144 HydrophobicContact CE-CB 4.49Å; M137-N144 PolarHBondContact O-ND2 3.14Å; D140-N144 HydrophobicContact CB-CB 4.25Å; D140-N144 WeakPolarHBondContact O-CB 3.16Å; D140-N144 PolarHBondContact O-N 2.82Å; D140-N144 VanDerWaalsContact O-N 3.17Å; N144-R146 PolarHBondContact O-N 3.42Å; N144-R146 WeakPolarHBondContact OD1-CA 3.39Å; N144-R146 VanDerWaalsContact OD1-CB 3.32Å; N144-R146 WeakPolarHBondContact OD1-CB 3.29Å; N144-R146 PolarHBondContact OD1-N 3.05Å; N144-A147 VanDerWaalsContact O-CB 3.29Å; N144-A147 WeakPolarHBondContact O-CB 3.23Å; N144-A147 PolarHBondContact O-N 3.12Å; N144-A147 PolarHBondContact OD1-N 2.81Å
145C80.4Confident82.7Confident13 Ų1355.5 Ų55.59%0.08829%0.286CS..THydrogen-bonded Turntrans-67.5-4.1172.6640000113.7L143 K251 C297L143-C145 PolarHBondContact O-N 3.08Å; C145-K251 HydrophobicContact CB-CG 4.13Å; C145-K251 WeakPolarHBondContact O-CE 3.49Å; C145-K251 WeakPolarHBondContact O-CG 2.95Å; C145-C297 HydrophobicContact CB-CB 3.66Å; C145-C297 WeakPolarHBondContact CB-SG 3.39Å; C145-C297 PolarHBondContact N-SG 3.35Å; C145-C297 WeakPolarHBondContact SG-CA 3.29Å; C145-C297 WeakPolarHBondContact SG-CB 3.38Å; C145-C297 CovalentContact SG-SG 2.04Å; C145-C297 PolarHBondContact SG-SG 2.67Å
146R78.6Confident82.7Confident72 Ų7254.3 Ų54.327%0.27228%0.279SS..THydrogen-bonded Turntrans-98.58.6170.9-60.6-177.6171.6127.2-13.2113.2N144 N148 D196 E294N144-R146 PolarHBondContact O-N 3.42Å; N144-R146 WeakPolarHBondContact OD1-CA 3.39Å; N144-R146 VanDerWaalsContact OD1-CB 3.32Å; N144-R146 WeakPolarHBondContact OD1-CB 3.29Å; N144-R146 PolarHBondContact OD1-N 3.05Å; R146-N148 PolarHBondContact O-N 3.22Å; R146-D196 IonicContact NH2-OD1 2.67Å; R146-E294 IonicContact CZ-OE1 3.56Å; R146-E294 IonicContact CZ-OE2 2.59Å; R146-E294 VanDerWaalsContact CZ-OE2 3.31Å; R146-E294 IonicContact NE-OE2 2.62Å; R146-E294 IonicContact NH1-OE1 3.63Å; R146-E294 PolarHBondContact NH1-OE1 3.48Å; R146-E294 IonicContact NH1-OE2 2.71Å; R146-E294 PolarHBondContact NH1-OE2 3.36Å
147A78.4Confident82.8Confident28 Ų2857.6 Ų57.623%0.23130%0.296CS..SBendtrans-54.1139.7174.900000110.6F141 N144 C149F141-A147 HydrophobicContact CD1-CB 3.88Å; F141-A147 HydrophobicContact CE1-CB 4.24Å; N144-A147 VanDerWaalsContact O-CB 3.29Å; N144-A147 WeakPolarHBondContact O-CB 3.23Å; N144-A147 PolarHBondContact O-N 3.12Å; N144-A147 PolarHBondContact OD1-N 2.81Å; A147-C149 PolarHBondContact O-N 2.9Å; A147-C149 VanDerWaalsContact O-N 3.12Å
148N73.8Confident83.2Confident133 Ų13363.8 Ų63.871%0.71132%0.316SS*.  trans-66.7115.3-179.3-177.336.4000110R146R146-N148 PolarHBondContact O-N 3.22Å
149C79.2Confident83.7Confident33 Ų3361.9 Ų61.922%0.22330%0.303CS..  trans-126.5100.1177179.70000108.9A147 V151 Y152 K153A147-C149 PolarHBondContact O-N 2.9Å; A147-C149 VanDerWaalsContact O-N 3.12Å; C149-V151 VanDerWaalsContact C-N 3.25Å; C149-V151 PolarHBondContact O-N 2.91Å; C149-Y152 PolarHBondContact O-N 3.43Å; C149-Y152 VanDerWaalsContact O-N 3.17Å; C149-Y152 VanDerWaalsContact SG-CB 3.58Å; C149-Y152 PolarHBondContact SG-N 2.95Å; C149-Y152 VanDerWaalsContact SG-N 3.4Å; C149-K153 PolarHBondContact O-N 2.95Å
150P81.2Confident84.2Confident90 Ų9054.7 Ų54.758%0.58428%0.276SS*.Hα-helixtrans-57.4-37.2-178.8-27.435.5000113.4K153 S154P150-K153 WeakPolarHBondContact O-CB 3.48Å; P150-K153 PolarHBondContact O-N 2.82Å; P150-S154 PolarHBondContact O-N 3.2Å
151V82.2Confident84.6Confident52 Ų5255.7 Ų55.732%0.31529%0.287SS..Hα-helixtrans-65.5-44.5177.2-179.80000111.3C149 K153 S154 I155 L250 I257C149-V151 VanDerWaalsContact C-N 3.25Å; C149-V151 PolarHBondContact O-N 2.91Å; V151-K153 VanDerWaalsContact C-N 3.3Å; V151-K153 PolarHBondContact O-N 2.82Å; V151-S154 PolarHBondContact O-N 2.82Å; V151-S154 PolarHBondContact O-OG 2.87Å; V151-I155 HydrophobicContact CG1-CD1 3.96Å; V151-I155 WeakPolarHBondContact O-CD1 3.29Å; V151-I155 WeakPolarHBondContact O-CG1 3.31Å; V151-I155 PolarHBondContact O-N 2.95Å; V151-L250 HydrophobicContact CG1-CD1 4.11Å; V151-L250 HydrophobicContact CG1-CD2 4.49Å; V151-I257 HydrophobicContact CG2-CD1 4.04Å; V151-I257 HydrophobicContact CG2-CG1 4.24Å
152Y82.9Confident85.3Confident28 Ų2858 Ų5811%0.1130%0.299CS..Hα-helixtrans-61.2-42.5173.4171.3-86.7000110.9C149 S154 I155 Y156 E241 K247 L250 K251C149-Y152 PolarHBondContact O-N 3.43Å; C149-Y152 VanDerWaalsContact O-N 3.17Å; C149-Y152 VanDerWaalsContact SG-CB 3.58Å; C149-Y152 PolarHBondContact SG-N 2.95Å; C149-Y152 VanDerWaalsContact SG-N 3.4Å; Y152-S154 PolarHBondContact O-N 3.2Å; Y152-I155 PolarHBondContact O-N 3.1Å; Y152-Y156 HydrophobicContact CE1-CD2 4.31Å; Y152-Y156 HydrophobicContact CE1-CG 4.31Å; Y152-Y156 VanDerWaalsContact O-CB 3.31Å; Y152-Y156 WeakPolarHBondContact O-CB 3.46Å; Y152-Y156 PolarHBondContact O-N 3.48Å; Y152-E241 VanDerWaalsContact OH-CA 3.27Å; Y152-E241 WeakPolarHBondContact OH-CA 3.34Å; Y152-E241 VanDerWaalsContact OH-CB 3.31Å; Y152-E241 WeakPolarHBondContact OH-CB 3.41Å; Y152-E241 PolarHBondContact OH-O 2.96Å; Y152-K247 HydrophobicContact CD2-CB 4.33Å; Y152-K247 HydrophobicContact CD2-CG 4.41Å; Y152-K247 HydrophobicContact CE2-CB 3.83Å; Y152-K247 HydrophobicContact CE2-CD 4.45Å; Y152-K247 HydrophobicContact CE2-CG 4.07Å; Y152-L250 HydrophobicContact CD2-CB 4.19Å; Y152-K251 HydrophobicContact CD2-CB 4.09Å; Y152-K251 HydrophobicContact CE1-CD 4.39Å; Y152-K251 HydrophobicContact CE2-CB 3.94Å; Y152-K251 HydrophobicContact CE2-CD 3.78Å; Y152-K251 HydrophobicContact CE2-CG 4.42Å
153K85.2Confident85.7Confident124 Ų12459.5 Ų59.554%0.53931%0.312SS..Hα-helixtrans-61.1-43.5-179-173.7179.3178.4-176.80111.9C149 P150 V151 Y156 N157C149-K153 PolarHBondContact O-N 2.95Å; P150-K153 WeakPolarHBondContact O-CB 3.48Å; P150-K153 PolarHBondContact O-N 2.82Å; V151-K153 VanDerWaalsContact C-N 3.3Å; V151-K153 PolarHBondContact O-N 2.82Å; K153-Y156 PolarHBondContact O-N 3.1Å; K153-N157 WeakPolarHBondContact O-CB 3.25Å; K153-N157 PolarHBondContact O-N 3.4Å; K153-N157 PolarHBondContact O-ND2 2.8Å
154S88.9Confident85.9Confident70 Ų7060.4 Ų60.449%0.4932%0.318SS..Hα-helixtrans-64.8-42.3177.264.90000111.8P150 V151 Y152 N157 R158P150-S154 PolarHBondContact O-N 3.2Å; V151-S154 PolarHBondContact O-N 2.82Å; V151-S154 PolarHBondContact O-OG 2.87Å; Y152-S154 PolarHBondContact O-N 3.2Å; S154-N157 PolarHBondContact O-N 2.88Å; S154-R158 WeakPolarHBondContact O-CB 3.4Å; S154-R158 PolarHBondContact O-N 2.87Å
155I86.8Confident86.4Confident8 Ų865.4 Ų65.44%0.04134%0.339CS..Hα-helixtrans-65.6-44177.2-68.9164.3000111.4V151 Y152 R158 Q159 Q246 K247 L250V151-I155 HydrophobicContact CG1-CD1 3.96Å; V151-I155 WeakPolarHBondContact O-CD1 3.29Å; V151-I155 WeakPolarHBondContact O-CG1 3.31Å; V151-I155 PolarHBondContact O-N 2.95Å; Y152-I155 PolarHBondContact O-N 3.1Å; I155-R158 PolarHBondContact O-N 3.36Å; I155-Q159 HydrophobicContact CG2-CG 4.25Å; I155-Q159 WeakPolarHBondContact O-CB 3.43Å; I155-Q159 WeakPolarHBondContact O-CG 3.41Å; I155-Q159 PolarHBondContact O-N 3.38Å; I155-Q246 HydrophobicContact CD1-CG 4.07Å; I155-Q246 HydrophobicContact CG2-CG 4.5Å; I155-K247 HydrophobicContact CG2-CD 4.39Å; I155-K247 HydrophobicContact CG2-CG 3.73Å; I155-L250 HydrophobicContact CD1-CD1 3.36Å
156Y87.4Confident87Confident31 Ų3170 Ų7012%0.12236%0.359CS..Hα-helixtrans-60.2-47176.7179.5-88.8000111.5Y152 K153 R158 S160 V164 L240 E241 K247Y152-Y156 HydrophobicContact CE1-CD2 4.31Å; Y152-Y156 HydrophobicContact CE1-CG 4.31Å; Y152-Y156 VanDerWaalsContact O-CB 3.31Å; Y152-Y156 WeakPolarHBondContact O-CB 3.46Å; Y152-Y156 PolarHBondContact O-N 3.48Å; K153-Y156 PolarHBondContact O-N 3.1Å; Y156-R158 VanDerWaalsContact C-N 3.35Å; Y156-R158 PolarHBondContact O-N 2.93Å; Y156-S160 WeakPolarHBondContact O-CA 3.18Å; Y156-S160 WeakPolarHBondContact O-CB 3.44Å; Y156-S160 PolarHBondContact O-N 2.59Å; Y156-V164 HydrophobicContact CE1-CG2 4.27Å; Y156-V164 WeakPolarHBondContact OH-CG2 3.41Å; Y156-L240 HydrophobicContact CE2-CB 4.42Å; Y156-L240 WeakPolarHBondContact CE2-O 3.24Å; Y156-E241 HydrophobicContact CE2-CG 4.09Å; Y156-K247 HydrophobicContact CD2-CD 4.19Å
157N91.3Very high87.6Confident92 Ų9267.5 Ų67.549%0.49235%0.351SS..Hα-helixtrans-61.7-44.1177.9-71.5-10.9000111.5K153 S154 G161K153-N157 WeakPolarHBondContact O-CB 3.25Å; K153-N157 PolarHBondContact O-N 3.4Å; K153-N157 PolarHBondContact O-ND2 2.8Å; S154-N157 PolarHBondContact O-N 2.88Å; N157-G161 VanDerWaalsContact O-CA 3.29Å; N157-G161 WeakPolarHBondContact O-CA 3.17Å; N157-G161 PolarHBondContact O-N 2.81Å
158R92.2Very high88.4Confident187 Ų18769.7 Ų69.771%0.70635%0.353SS*.Hα-helixtrans-67-45.2179.7-175.5175.163.1-177.70.6113S154 I155 Y156S154-R158 WeakPolarHBondContact O-CB 3.4Å; S154-R158 PolarHBondContact O-N 2.87Å; I155-R158 PolarHBondContact O-N 3.36Å; Y156-R158 VanDerWaalsContact C-N 3.35Å; Y156-R158 PolarHBondContact O-N 2.93Å
159Q89.8Confident89.3Confident76 Ų7670.6 Ų70.636%0.35535%0.351SS..Hα-helixtrans-87.3-23.5-173.5-69.4178.8-2.300113.8I155 T244I155-Q159 HydrophobicContact CG2-CG 4.25Å; I155-Q159 WeakPolarHBondContact O-CB 3.43Å; I155-Q159 WeakPolarHBondContact O-CG 3.41Å; I155-Q159 PolarHBondContact O-N 3.38Å; Q159-T244 PolarHBondContact OE1-OG1 2.68Å
160S91.5Very high89.8Confident2 Ų273.4 Ų73.41%0.01436%0.361CS..Hα-helixtrans-126.2-0.3-171.9-57.90000113.6Y156 E162 A163 V164 K247Y156-S160 WeakPolarHBondContact O-CA 3.18Å; Y156-S160 WeakPolarHBondContact O-CB 3.44Å; Y156-S160 PolarHBondContact O-N 2.59Å; S160-E162 PolarHBondContact O-N 2.8Å; S160-A163 PolarHBondContact O-N 2.78Å; S160-V164 WeakPolarHBondContact O-CB 3.15Å; S160-V164 WeakPolarHBondContact O-CG2 3.33Å; S160-V164 PolarHBondContact O-N 3.4Å; S160-K247 PolarHBondContact OG-NZ 3.13Å
161G91.1Very high90.2Very high22 Ų2269.9 Ų69.923%0.22734%0.336CS..Hα-helixtrans-52.8-50.4178.700000113.5N157 V164 K165N157-G161 VanDerWaalsContact O-CA 3.29Å; N157-G161 WeakPolarHBondContact O-CA 3.17Å; N157-G161 PolarHBondContact O-N 2.81Å; G161-V164 PolarHBondContact O-N 3.21Å; G161-K165 WeakPolarHBondContact O-CG 3.23Å; G161-K165 PolarHBondContact O-N 3.41Å
162E92.7Very high90.7Very high131 Ų13171.3 Ų71.361%0.61234%0.342SS*.Hα-helixtrans-66.5-44179.1-68.4-52.7130.600112.8S160 V164 K165 Q166S160-E162 PolarHBondContact O-N 2.8Å; E162-V164 VanDerWaalsContact C-N 3.27Å; E162-V164 PolarHBondContact O-N 2.91Å; E162-K165 WeakPolarHBondContact O-CB 3.44Å; E162-K165 PolarHBondContact O-N 3Å; E162-K165 VanDerWaalsContact O-N 3.15Å; E162-K165 IonicContact OE1-NZ 3.84Å; E162-K165 PolarHBondContact OE1-NZ 2.96Å; E162-K165 IonicContact OE2-NZ 3.73Å; E162-Q166 PolarHBondContact O-N 3.2Å
163A92.9Very high90.9Very high41 Ų4173 Ų7334%0.33936%0.358SS..Hα-helixtrans-59.9-38.8174.800000111.8S160 Q166 L167 L240S160-A163 PolarHBondContact O-N 2.78Å; A163-Q166 PolarHBondContact O-N 2.86Å; A163-L167 WeakPolarHBondContact O-CB 3.5Å; A163-L167 WeakPolarHBondContact O-CG 3.27Å; A163-L167 PolarHBondContact O-N 3.29Å; A163-L240 HydrophobicContact CB-CD1 4.11Å; A163-L240 HydrophobicContact CB-CD2 4.06Å
164V92.8Very high91Very high22 Ų2267 Ų6713%0.13333%0.332CS..Hα-helixtrans-66.1-42.1175.2166.30000111.6Y156 S160 G161 E162 Q166 R168 F191 L240Y156-V164 HydrophobicContact CE1-CG2 4.27Å; Y156-V164 WeakPolarHBondContact OH-CG2 3.41Å; S160-V164 WeakPolarHBondContact O-CB 3.15Å; S160-V164 WeakPolarHBondContact O-CG2 3.33Å; S160-V164 PolarHBondContact O-N 3.4Å; G161-V164 PolarHBondContact O-N 3.21Å; E162-V164 VanDerWaalsContact C-N 3.27Å; E162-V164 PolarHBondContact O-N 2.91Å; V164-Q166 VanDerWaalsContact C-N 3.31Å; V164-Q166 PolarHBondContact O-N 3.4Å; V164-R168 WeakPolarHBondContact O-CB 3.46Å; V164-R168 WeakPolarHBondContact O-CG 3.35Å; V164-R168 PolarHBondContact O-N 2.8Å; V164-F191 HydrophobicContact CB-CE2 4.29Å; V164-F191 HydrophobicContact CG1-CE2 3.61Å; V164-F191 HydrophobicContact CG1-CZ 3.8Å; V164-F191 HydrophobicContact CG2-CE2 3.84Å; V164-L240 HydrophobicContact CG2-CD1 3.96Å
165K94.5Very high91Very high118 Ų11864 Ų6451%0.51331%0.311SS..Hα-helixtrans-60.1-43.9173.9-71.8172.5-173.8171.70110.7G161 E162 R168 K169G161-K165 WeakPolarHBondContact O-CG 3.23Å; G161-K165 PolarHBondContact O-N 3.41Å; E162-K165 WeakPolarHBondContact O-CB 3.44Å; E162-K165 PolarHBondContact O-N 3Å; E162-K165 VanDerWaalsContact O-N 3.15Å; E162-K165 IonicContact OE1-NZ 3.84Å; E162-K165 PolarHBondContact OE1-NZ 2.96Å; E162-K165 IonicContact OE2-NZ 3.73Å; K165-R168 PolarHBondContact O-N 3.02Å; K165-K169 WeakPolarHBondContact O-CG 3.4Å; K165-K169 PolarHBondContact O-N 3.39Å; K165-K169 VanDerWaalsContact O-N 3.13Å
166Q93.6Very high91.1Very high110 Ų11067.4 Ų67.451%0.51433%0.326SS..Hα-helixtrans-65.4-47.9179.1-173.36210.600112.2E162 A163 V164 R168 K169 E170E162-Q166 PolarHBondContact O-N 3.2Å; A163-Q166 PolarHBondContact O-N 2.86Å; V164-Q166 VanDerWaalsContact C-N 3.31Å; V164-Q166 PolarHBondContact O-N 3.4Å; Q166-R168 VanDerWaalsContact C-N 3.25Å; Q166-R168 PolarHBondContact O-N 2.9Å; Q166-K169 WeakPolarHBondContact O-CB 3.42Å; Q166-K169 PolarHBondContact O-N 2.87Å; Q166-E170 PolarHBondContact O-N 3.32Å
167L92.4Very high91Very high19 Ų1968.1 Ų68.110%0.09933%0.33CS..Hα-helixtrans-59-37.6176.1-75.1178.5000112.2A163 K169 E170 F171 L233 L236 L240A163-L167 WeakPolarHBondContact O-CB 3.5Å; A163-L167 WeakPolarHBondContact O-CG 3.27Å; A163-L167 PolarHBondContact O-N 3.29Å; L167-K169 VanDerWaalsContact C-N 3.34Å; L167-E170 PolarHBondContact O-N 2.61Å; L167-F171 HydrophobicContact CD2-CD2 4.34Å; L167-F171 HydrophobicContact CD2-CE2 4.16Å; L167-F171 WeakPolarHBondContact O-CB 3.35Å; L167-F171 PolarHBondContact O-N 3.38Å; L167-L233 HydrophobicContact CB-CD1 4.33Å; L167-L236 HydrophobicContact CD1-CB 4.19Å; L167-L236 HydrophobicContact CD2-CB 4.37Å; L167-L236 HydrophobicContact CD2-CD1 3.84Å; L167-L240 HydrophobicContact CD1-CD1 3.42Å; L167-L240 VanDerWaalsContact CD1-CD1 3.42Å; L167-L240 HydrophobicContact CD1-CG 4.38Å
168R93.7Very high90.7Very high74 Ų7464 Ų6428%0.27931%0.307SS..Hα-helixtrans-65.1-36.7175.9-76.9-176.1174.9-76.5-2.4112.6V164 K165 Q166 N172 L175 V189 F191V164-R168 WeakPolarHBondContact O-CB 3.46Å; V164-R168 WeakPolarHBondContact O-CG 3.35Å; V164-R168 PolarHBondContact O-N 2.8Å; K165-R168 PolarHBondContact O-N 3.02Å; Q166-R168 VanDerWaalsContact C-N 3.25Å; Q166-R168 PolarHBondContact O-N 2.9Å; R168-N172 VanDerWaalsContact O-CA 3.27Å; R168-N172 WeakPolarHBondContact O-CA 3.46Å; R168-N172 WeakPolarHBondContact O-CB 3.48Å; R168-N172 PolarHBondContact O-N 3.34Å; R168-N172 VanDerWaalsContact O-N 3.14Å; R168-L175 HydrophobicContact CB-CD1 4.13Å; R168-L175 HydrophobicContact CG-CD1 3.93Å; R168-V189 PolarHBondContact NH1-O 3.08Å; R168-V189 PolarHBondContact NH2-O 3.15Å; R168-F191 HydrophobicContact CG-CE1 4.37Å; R168-F191 HydrophobicContact CG-CZ 4.2Å
169K93Very high90.5Very high153 Ų15357.1 Ų57.167%0.66528%0.283SS*.Hα-helixtrans-68.5-49.4174.3-69.8176.2-179.8179.90111.1K165 Q166 L167 F171 N172K165-K169 WeakPolarHBondContact O-CG 3.4Å; K165-K169 PolarHBondContact O-N 3.39Å; K165-K169 VanDerWaalsContact O-N 3.13Å; Q166-K169 WeakPolarHBondContact O-CB 3.42Å; Q166-K169 PolarHBondContact O-N 2.87Å; L167-K169 VanDerWaalsContact C-N 3.34Å; K169-F171 PolarHBondContact O-N 2.9Å; K169-N172 VanDerWaalsContact O-CB 3.27Å; K169-N172 WeakPolarHBondContact O-CB 3.23Å; K169-N172 PolarHBondContact O-N 2.89Å
170E89.9Confident90Very high92 Ų9257.1 Ų57.143%0.4329%0.288SS..Hα-helixtrans-62.7-43-178-174.2-176.7163.200112.1Q166 L167Q166-E170 PolarHBondContact O-N 3.32Å; L167-E170 PolarHBondContact O-N 2.61Å
171F90.5Very high89.2Confident15 Ų1558.1 Ų58.17%0.06629%0.292CS..THydrogen-bonded Turntrans-9822.2179.6-70.1-101000113.1L167 K169 S173 V174 L175 R232 L233 L236L167-F171 HydrophobicContact CD2-CD2 4.34Å; L167-F171 HydrophobicContact CD2-CE2 4.16Å; L167-F171 WeakPolarHBondContact O-CB 3.35Å; L167-F171 PolarHBondContact O-N 3.38Å; K169-F171 PolarHBondContact O-N 2.9Å; F171-S173 VanDerWaalsContact C-N 3.3Å; F171-S173 PolarHBondContact O-N 2.84Å; F171-V174 HydrophobicContact CB-CB 4.39Å; F171-V174 HydrophobicContact CB-CG2 4.47Å; F171-V174 HydrophobicContact CD1-CG2 3.93Å; F171-V174 WeakPolarHBondContact O-CA 3.32Å; F171-V174 WeakPolarHBondContact O-CB 3.38Å; F171-V174 PolarHBondContact O-N 3.28Å; F171-L175 WeakPolarHBondContact O-CG 3.42Å; F171-L175 PolarHBondContact O-N 3.21Å; F171-R232 HydrophobicContact CE1-CB 4.4Å; F171-R232 HydrophobicContact CE1-CG 4.42Å; F171-R232 HydrophobicContact CZ-CG 4.03Å; F171-L233 HydrophobicContact CB-CD1 4.03Å; F171-L233 HydrophobicContact CB-CD2 3.78Å; F171-L233 HydrophobicContact CB-CG 4.4Å; F171-L233 HydrophobicContact CD1-CB 3.83Å; F171-L233 HydrophobicContact CD1-CD1 4.2Å; F171-L233 HydrophobicContact CD1-CD2 4.24Å; F171-L233 HydrophobicContact CD1-CG 4.29Å; F171-L233 HydrophobicContact CD2-CD1 3.76Å; F171-L233 HydrophobicContact CE1-CB 4.01Å; F171-L233 HydrophobicContact CE2-CD1 4.26Å; F171-L233 HydrophobicContact CG-CB 4.25Å; F171-L233 HydrophobicContact CG-CD1 3.73Å; F171-L233 HydrophobicContact CG-CD2 4.1Å; F171-L233 HydrophobicContact CG-CG 4.22Å; F171-L236 HydrophobicContact CE2-CD1 4.03Å; F171-L236 HydrophobicContact CZ-CD1 4.08Å
172N90.8Very high88.5Confident83 Ų8358.5 Ų58.544%0.44429%0.288SS..Hα-helixtrans-54-46.6-175.7-177.462.4000111.9R168 K169 V174 L175 E176R168-N172 VanDerWaalsContact O-CA 3.27Å; R168-N172 WeakPolarHBondContact O-CA 3.46Å; R168-N172 WeakPolarHBondContact O-CB 3.48Å; R168-N172 PolarHBondContact O-N 3.34Å; R168-N172 VanDerWaalsContact O-N 3.14Å; K169-N172 VanDerWaalsContact O-CB 3.27Å; K169-N172 WeakPolarHBondContact O-CB 3.23Å; K169-N172 PolarHBondContact O-N 2.89Å; N172-V174 PolarHBondContact O-N 3.34Å; N172-L175 PolarHBondContact O-N 3.49Å; N172-L175 VanDerWaalsContact O-N 3.11Å; N172-E176 WeakPolarHBondContact O-CG 3.4Å; N172-E176 PolarHBondContact O-N 3.13Å
173S87.4Confident87.7Confident62 Ų6259.5 Ų59.543%0.43430%0.303SS..Hα-helixtrans-63.2-27.1178.136.30000113.6F171 K177 Y219F171-S173 VanDerWaalsContact C-N 3.3Å; F171-S173 PolarHBondContact O-N 2.84Å; S173-K177 WeakPolarHBondContact O-CB 3.2Å; S173-K177 PolarHBondContact O-N 3.04Å; S173-Y219 WeakPolarHBondContact CB-OH 3.26Å; S173-Y219 PolarHBondContact OG-OH 2.59Å
174V87.3Confident87.1Confident0 Ų061 Ų610%031%0.305CS..Hα-helixtrans-72.5-48.4174.2175.70000108F171 N172 K177 L178 Y219 F226 A229 V230F171-V174 HydrophobicContact CB-CB 4.39Å; F171-V174 HydrophobicContact CB-CG2 4.47Å; F171-V174 HydrophobicContact CD1-CG2 3.93Å; F171-V174 WeakPolarHBondContact O-CA 3.32Å; F171-V174 WeakPolarHBondContact O-CB 3.38Å; F171-V174 PolarHBondContact O-N 3.28Å; N172-V174 PolarHBondContact O-N 3.34Å; V174-K177 PolarHBondContact O-N 2.88Å; V174-L178 HydrophobicContact CG1-CD1 4.01Å; V174-L178 HydrophobicContact CG1-CG 4.36Å; V174-L178 WeakPolarHBondContact O-CG 3.43Å; V174-L178 PolarHBondContact O-N 2.84Å; V174-Y219 WeakPolarHBondContact CA-OH 3.44Å; V174-Y219 HydrophobicContact CG2-CE1 4.09Å; V174-Y219 HydrophobicContact CG2-CE2 3.95Å; V174-Y219 VanDerWaalsContact CG2-CZ 3.45Å; V174-Y219 WeakPolarHBondContact CG2-OH 3.32Å; V174-Y219 PolarHBondContact N-OH 3.07Å; V174-F226 HydrophobicContact CB-CE2 4.44Å; V174-F226 HydrophobicContact CG1-CE2 3.88Å; V174-A229 HydrophobicContact CG2-CB 3.65Å; V174-V230 HydrophobicContact CG1-CG2 3.71Å
175L90.2Very high86.5Confident7 Ų766.5 Ų66.54%0.03733%0.328CS..Hα-helixtrans-63.9-42.9-177.6-64.2170.5000111.6R168 F171 N172 L178 K179 V189 L233R168-L175 HydrophobicContact CB-CD1 4.13Å; R168-L175 HydrophobicContact CG-CD1 3.93Å; F171-L175 WeakPolarHBondContact O-CG 3.42Å; F171-L175 PolarHBondContact O-N 3.21Å; N172-L175 PolarHBondContact O-N 3.49Å; N172-L175 VanDerWaalsContact O-N 3.11Å; L175-L178 WeakPolarHBondContact O-CB 3.39Å; L175-L178 PolarHBondContact O-N 2.92Å; L175-L178 VanDerWaalsContact O-N 3.12Å; L175-K179 PolarHBondContact O-N 2.84Å; L175-V189 HydrophobicContact CD2-CB 4.1Å; L175-V189 HydrophobicContact CD2-CG1 4.39Å; L175-V189 WeakPolarHBondContact O-CG2 3.33Å; L175-L233 HydrophobicContact CD2-CD2 3.92Å; L175-L233 HydrophobicContact CG-CD2 4.28Å
176E88.5Confident85.9Confident78 Ų7866.4 Ų66.436%0.36434%0.337SS..Hα-helixtrans-61.8-43.7175-69.8-47.4118.500111.8N172 L178 K179N172-E176 WeakPolarHBondContact O-CG 3.4Å; N172-E176 PolarHBondContact O-N 3.13Å; E176-L178 VanDerWaalsContact C-N 3.26Å; E176-L178 PolarHBondContact O-N 3.18Å; E176-K179 WeakPolarHBondContact O-CB 3.21Å; E176-K179 PolarHBondContact O-N 2.94Å; E176-K179 VanDerWaalsContact O-N 3.16Å; E176-K179 WeakPolarHBondContact OE1-CE 3.36Å; E176-K179 IonicContact OE1-NZ 2.7Å; E176-K179 PolarHBondContact OE1-NZ 2.93Å; E176-K179 WeakPolarHBondContact OE2-CD 3.24Å; E176-K179 IonicContact OE2-NZ 3.97Å; E176-K179 PolarHBondContact OE2-NZ 2.77Å
177K85.2Confident85.5Confident47 Ų4766.8 Ų66.820%0.20434%0.339CS..Hα-helixtrans-64.5-32.3174.2-175.9166.8172.9-174.40112S173 V174 T180 F181 Q214 F226S173-K177 WeakPolarHBondContact O-CB 3.2Å; S173-K177 PolarHBondContact O-N 3.04Å; V174-K177 PolarHBondContact O-N 2.88Å; K177-T180 PolarHBondContact O-N 3.15Å; K177-T180 PolarHBondContact O-OG1 3.33Å; K177-F181 HydrophobicContact CG-CE2 4.49Å; K177-F181 VanDerWaalsContact O-CD2 3.32Å; K177-F181 WeakPolarHBondContact O-CD2 3.29Å; K177-F181 VanDerWaalsContact O-CE2 3.31Å; K177-F181 WeakPolarHBondContact O-CE2 3.25Å; K177-Q214 WeakPolarHBondContact CE-O 3.32Å; K177-Q214 PolarHBondContact NZ-O 3.25Å; K177-F226 HydrophobicContact CB-CE2 3.85Å; K177-F226 HydrophobicContact CB-CZ 4.3Å; K177-F226 HydrophobicContact CD-CD2 3.67Å; K177-F226 HydrophobicContact CD-CE2 3.54Å; K177-F226 HydrophobicContact CD-CG 4.21Å; K177-F226 HydrophobicContact CD-CZ 4.01Å; K177-F226 HydrophobicContact CG-CD2 4.39Å; K177-F226 HydrophobicContact CG-CE2 3.75Å; K177-F226 HydrophobicContact CG-CZ 3.91Å
178L85.8Confident85.3Confident4 Ų470.3 Ų70.32%0.02136%0.363CS..Hα-helixtrans-71.6-26.6175-73.6177.4000113.5V174 L175 E176 T180 F181 V189 L194 V197 F226 V230V174-L178 HydrophobicContact CG1-CD1 4.01Å; V174-L178 HydrophobicContact CG1-CG 4.36Å; V174-L178 WeakPolarHBondContact O-CG 3.43Å; V174-L178 PolarHBondContact O-N 2.84Å; L175-L178 WeakPolarHBondContact O-CB 3.39Å; L175-L178 PolarHBondContact O-N 2.92Å; L175-L178 VanDerWaalsContact O-N 3.12Å; E176-L178 VanDerWaalsContact C-N 3.26Å; E176-L178 PolarHBondContact O-N 3.18Å; L178-T180 PolarHBondContact O-N 2.68Å; L178-F181 HydrophobicContact CD2-CD2 4.47Å; L178-F181 PolarHBondContact O-N 3.38Å; L178-V189 HydrophobicContact CB-CG1 4.25Å; L178-V189 HydrophobicContact CB-CG2 3.89Å; L178-V189 HydrophobicContact CD1-CG1 4.37Å; L178-L194 HydrophobicContact CD1-CD1 3.5Å; L178-L194 VanDerWaalsContact CD1-CD1 3.5Å; L178-V197 HydrophobicContact CD2-CB 4.43Å; L178-V197 HydrophobicContact CD2-CG1 3.77Å; L178-V197 HydrophobicContact CD2-CG2 4.25Å; L178-F226 HydrophobicContact CD2-CE1 4.33Å; L178-F226 HydrophobicContact CD2-CZ 3.72Å; L178-F226 HydrophobicContact CG-CZ 3.99Å; L178-V230 HydrophobicContact CD1-CG2 4.5Å
179K86.6Confident85.1Confident44 Ų4466.8 Ų66.819%0.19135%0.35CS..Hα-helixtrans-60.7-30.8174.8-69.9-179.6-178.31680112.3L175 E176 F181 Q182 V189L175-K179 PolarHBondContact O-N 2.84Å; E176-K179 WeakPolarHBondContact O-CB 3.21Å; E176-K179 PolarHBondContact O-N 2.94Å; E176-K179 VanDerWaalsContact O-N 3.16Å; E176-K179 WeakPolarHBondContact OE1-CE 3.36Å; E176-K179 IonicContact OE1-NZ 2.7Å; E176-K179 PolarHBondContact OE1-NZ 2.93Å; E176-K179 WeakPolarHBondContact OE2-CD 3.24Å; E176-K179 IonicContact OE2-NZ 3.97Å; E176-K179 PolarHBondContact OE2-NZ 2.77Å; K179-F181 PolarHBondContact O-N 3.33Å; K179-F181 VanDerWaalsContact O-N 3.16Å; K179-Q182 WeakPolarHBondContact O-CB 3.38Å; K179-Q182 PolarHBondContact O-N 3.41Å; K179-V189 HydrophobicContact CB-CG2 4.49Å; K179-V189 HydrophobicContact CG-CG2 3.69Å
180T80.1Confident84.8Confident75 Ų7562.2 Ų62.246%0.4634%0.337SS..THydrogen-bonded Turntrans-65.1-19.9179.969.30000112.9K177 L178K177-T180 PolarHBondContact O-N 3.15Å; K177-T180 PolarHBondContact O-OG1 3.33Å; L178-T180 PolarHBondContact O-N 2.68Å
181F74.3Confident84.7Confident24 Ų2458.9 Ų58.911%0.10532%0.321CS..THydrogen-bonded Turntrans-98.412.2176.6-53.1-80.1000113.1K177 L178 K179 R193 Q214 L215K177-F181 HydrophobicContact CG-CE2 4.49Å; K177-F181 VanDerWaalsContact O-CD2 3.32Å; K177-F181 WeakPolarHBondContact O-CD2 3.29Å; K177-F181 VanDerWaalsContact O-CE2 3.31Å; K177-F181 WeakPolarHBondContact O-CE2 3.25Å; L178-F181 HydrophobicContact CD2-CD2 4.47Å; L178-F181 PolarHBondContact O-N 3.38Å; K179-F181 PolarHBondContact O-N 3.33Å; K179-F181 VanDerWaalsContact O-N 3.16Å; F181-R193 PolarHBondContact O-NH2 3.47Å; F181-Q214 HydrophobicContact CE1-CB 4.44Å; F181-Q214 HydrophobicContact CZ-CB 4.02Å; F181-L215 HydrophobicContact CE1-CD2 4.19Å; F181-L215 HydrophobicContact CE2-CD2 3.78Å; F181-L215 HydrophobicContact CZ-CD2 3.55Å; F181-L215 HydrophobicContact CZ-CG 4.23Å
182Q77.3Confident84.4Confident29 Ų2964.1 Ų64.114%0.13634%0.344CS..SBendtrans-103.1147.1173.8-64.2-168.1-16.200111.2K179 N184 Q187K179-Q182 WeakPolarHBondContact O-CB 3.38Å; K179-Q182 PolarHBondContact O-N 3.41Å; Q182-N184 PolarHBondContact OE1-O 2.92Å; Q182-Q187 PolarHBondContact OE1-O 2.89Å
183T74.7Confident84.1Confident152 Ų15262.6 Ų62.693%0.93333%0.332SS*.SBendtrans-61.9-47.5172.1-40.50000110.7
184N80.9Confident84.2Confident72 Ų7259.6 Ų59.639%0.38531%0.311SS..SBendtrans-100.492.4175.3-172.5-5.3000111.1Q182 T186 Q187Q182-N184 PolarHBondContact OE1-O 2.92Å; N184-T186 PolarHBondContact O-N 3.27Å; N184-T186 VanDerWaalsContact O-N 3.15Å; N184-T186 PolarHBondContact OD1-N 2.54Å; N184-T186 PolarHBondContact OD1-OG1 3.35Å; N184-Q187 PolarHBondContact O-N 3.21Å
185K80.1Confident84.1Confident138 Ų13860.2 Ų60.260%0.631%0.314SS*.THydrogen-bonded Turntrans-65.5-14.7-177.5-61178.8-179.3174.20114.4
186T82.1Confident83.7Confident117 Ų11762 Ų6272%0.71832%0.324SS*.THydrogen-bonded Turntrans-80.2-26-179.565.20000112.9N184N184-T186 PolarHBondContact O-N 3.27Å; N184-T186 VanDerWaalsContact O-N 3.15Å; N184-T186 PolarHBondContact OD1-N 2.54Å; N184-T186 PolarHBondContact OD1-OG1 3.35Å
187Q84.8Confident83.5Confident118 Ų11858.5 Ų58.555%0.55131%0.307SS*.SBendtrans-78.6142.7-178.1-75.8-175.2-4.700111.6Q182 N184Q182-Q187 PolarHBondContact OE1-O 2.89Å; N184-Q187 PolarHBondContact O-N 3.21Å
188P87.3Confident83.6Confident92 Ų9256.8 Ų56.860%0.59730%0.3SS*.PPolyproline II helixtrans-61.2139.9171.4-22.232.9000111.5S190P188-S190 PolarHBondContact O-N 3.12Å
189V89.3Confident83.4Confident1 Ų159 Ų591%0.00632%0.319CS..PPolyproline II helixtrans-61.5122.4173.7-175.30000109.7R168 L175 L178 K179 R193R168-V189 PolarHBondContact NH1-O 3.08Å; R168-V189 PolarHBondContact NH2-O 3.15Å; L175-V189 HydrophobicContact CD2-CB 4.1Å; L175-V189 HydrophobicContact CD2-CG1 4.39Å; L175-V189 WeakPolarHBondContact O-CG2 3.33Å; L178-V189 HydrophobicContact CB-CG1 4.25Å; L178-V189 HydrophobicContact CB-CG2 3.89Å; L178-V189 HydrophobicContact CD1-CG1 4.37Å; K179-V189 HydrophobicContact CB-CG2 4.49Å; K179-V189 HydrophobicContact CG-CG2 3.69Å; V189-R193 HydrophobicContact CG1-CB 4.22Å; V189-R193 HydrophobicContact CG1-CG 4.25Å
190S88.8Confident83.2Confident56 Ų5657 Ų5739%0.39231%0.311SS..PPolyproline II helixtrans-76148.9173.870.90000110.2P188 K192 R193 L194P188-S190 PolarHBondContact O-N 3.12Å; S190-K192 PolarHBondContact O-N 3.31Å; S190-R193 WeakPolarHBondContact O-CB 3.41Å; S190-R193 PolarHBondContact O-N 2.79Å; S190-R193 WeakPolarHBondContact OG-CB 3.31Å; S190-R193 PolarHBondContact OG-N 3.47Å; S190-R193 VanDerWaalsContact OG-N 3.12Å; S190-L194 PolarHBondContact O-N 2.7Å
191F87.6Confident83.3Confident23 Ų2353.7 Ų53.710%0.10129%0.29CS..Hα-helixtrans-64.7-27.2175.7-63.8-30.4000112.7V164 R168 L194 Q195 T237V164-F191 HydrophobicContact CB-CE2 4.29Å; V164-F191 HydrophobicContact CG1-CE2 3.61Å; V164-F191 HydrophobicContact CG1-CZ 3.8Å; V164-F191 HydrophobicContact CG2-CE2 3.84Å; R168-F191 HydrophobicContact CG-CE1 4.37Å; R168-F191 HydrophobicContact CG-CZ 4.2Å; F191-L194 HydrophobicContact CD1-CD2 4.36Å; F191-L194 WeakPolarHBondContact O-CB 3.29Å; F191-L194 PolarHBondContact O-N 2.89Å; F191-Q195 WeakPolarHBondContact O-CB 3.37Å; F191-Q195 VanDerWaalsContact O-CD 3.31Å; F191-Q195 WeakPolarHBondContact O-CG 3.09Å; F191-Q195 PolarHBondContact O-N 2.59Å; F191-Q195 PolarHBondContact O-OE1 3.49Å; F191-T237 HydrophobicContact CB-CG2 4.28Å; F191-T237 HydrophobicContact CD1-CG2 3.58Å; F191-T237 HydrophobicContact CD2-CG2 3.74Å; F191-T237 HydrophobicContact CE1-CG2 3.67Å; F191-T237 HydrophobicContact CE2-CG2 3.82Å; F191-T237 HydrophobicContact CG-CG2 3.62Å; F191-T237 HydrophobicContact CZ-CG2 3.78Å
192K83.3Confident83.7Confident124 Ų12455.9 Ų55.954%0.53930%0.297SS..Hα-helixtrans-59.3-47.7168.4-175.7-179.8176-176.10111.2S190 L194 Q195 D196S190-K192 PolarHBondContact O-N 3.31Å; K192-L194 VanDerWaalsContact C-N 3.35Å; K192-L194 PolarHBondContact O-N 3.07Å; K192-Q195 WeakPolarHBondContact O-CB 3.27Å; K192-Q195 PolarHBondContact O-N 2.67Å; K192-D196 PolarHBondContact O-N 2.86Å
193R85Confident83.9Confident51 Ų5154.7 Ų54.719%0.19229%0.292CS..Hα-helixtrans-64-40.2177.5-178.562.6171.3-169.5-1.6111.8G42 F181 V189 S190 Q195 D196 V197G42-R193 PolarHBondContact O-NH2 2.76Å; F181-R193 PolarHBondContact O-NH2 3.47Å; V189-R193 HydrophobicContact CG1-CB 4.22Å; V189-R193 HydrophobicContact CG1-CG 4.25Å; S190-R193 WeakPolarHBondContact O-CB 3.41Å; S190-R193 PolarHBondContact O-N 2.79Å; S190-R193 WeakPolarHBondContact OG-CB 3.31Å; S190-R193 PolarHBondContact OG-N 3.47Å; S190-R193 VanDerWaalsContact OG-N 3.12Å; R193-Q195 VanDerWaalsContact C-N 3.32Å; R193-Q195 PolarHBondContact O-N 3.16Å; R193-D196 PolarHBondContact O-N 2.95Å; R193-V197 VanDerWaalsContact O-CG2 3.27Å; R193-V197 WeakPolarHBondContact O-CG2 2.86Å; R193-V197 PolarHBondContact O-N 3.29Å
194L88.2Confident84.1Confident0 Ų047.8 Ų47.80%025%0.249CC..Hα-helixtrans-56.2-47.8173.5171.374.3000111.5L178 S190 F191 K192 V197 H198 V230 L233 T237L178-L194 HydrophobicContact CD1-CD1 3.5Å; L178-L194 VanDerWaalsContact CD1-CD1 3.5Å; S190-L194 PolarHBondContact O-N 2.7Å; F191-L194 HydrophobicContact CD1-CD2 4.36Å; F191-L194 WeakPolarHBondContact O-CB 3.29Å; F191-L194 PolarHBondContact O-N 2.89Å; K192-L194 VanDerWaalsContact C-N 3.35Å; K192-L194 PolarHBondContact O-N 3.07Å; L194-V197 WeakPolarHBondContact O-CB 3.16Å; L194-V197 PolarHBondContact O-N 2.03Å; L194-H198 PolarHBondContact O-N 3.23Å; L194-V230 HydrophobicContact CD1-CG1 3.99Å; L194-L233 HydrophobicContact CD1-CD2 4.07Å; L194-L233 HydrophobicContact CD2-CB 3.94Å; L194-L233 HydrophobicContact CD2-CD2 3.58Å; L194-L233 HydrophobicContact CD2-CG 3.43Å; L194-L233 VanDerWaalsContact CD2-CG 3.43Å; L194-L233 HydrophobicContact CG-CD2 4.47Å; L194-T237 HydrophobicContact CD2-CG2 4.28Å
195Q85.3Confident84.1Confident12 Ų1247.2 Ų47.26%0.05626%0.255CS..Hα-helixtrans-59.1-46.4177-80.8153.6-2.300111.8F191 K192 R193 V197 H198 A199 D234 T238 R296F191-Q195 WeakPolarHBondContact O-CB 3.37Å; F191-Q195 VanDerWaalsContact O-CD 3.31Å; F191-Q195 WeakPolarHBondContact O-CG 3.09Å; F191-Q195 PolarHBondContact O-N 2.59Å; F191-Q195 PolarHBondContact O-OE1 3.49Å; K192-Q195 WeakPolarHBondContact O-CB 3.27Å; K192-Q195 PolarHBondContact O-N 2.67Å; R193-Q195 VanDerWaalsContact C-N 3.32Å; R193-Q195 PolarHBondContact O-N 3.16Å; Q195-V197 VanDerWaalsContact C-N 3.32Å; Q195-V197 PolarHBondContact O-N 2.84Å; Q195-H198 PolarHBondContact O-N 3.31Å; Q195-A199 WeakPolarHBondContact O-CB 2.91Å; Q195-A199 PolarHBondContact O-N 3.47Å; Q195-D234 WeakPolarHBondContact CG-OD1 3.31Å; Q195-T238 PolarHBondContact NE2-OG1 3.35Å; Q195-R296 VanDerWaalsContact CD-NH1 3.28Å; Q195-R296 VanDerWaalsContact OE1-NH2 3.16Å
196D82.8Confident84Confident46 Ų4643.3 Ų43.325%0.24624%0.24CC..Hα-helixtrans-63.5-39.2178.6-59.3-24.3000111.1L43 R146 K192 R193 T200L43-D196 HydrophobicContact CD1-CB 3.83Å; L43-D196 HydrophobicContact CD2-CB 4.16Å; R146-D196 IonicContact NH2-OD1 2.67Å; K192-D196 PolarHBondContact O-N 2.86Å; R193-D196 PolarHBondContact O-N 2.95Å; D196-T200 WeakPolarHBondContact O-CB 3.42Å; D196-T200 PolarHBondContact O-N 3.33Å; D196-T200 PolarHBondContact O-OG1 2.92Å
197V83.8Confident83.7Confident3 Ų339.7 Ų39.72%0.01822%0.216CC..Hα-helixtrans-62.1-48.4173.4170.90000111L43 F44 L178 R193 L194 Q195 A199 T200 I201L43-V197 HydrophobicContact CD2-CB 4.28Å; L43-V197 HydrophobicContact CD2-CG2 3.38Å; F44-V197 HydrophobicContact CZ-CG1 3.98Å; L178-V197 HydrophobicContact CD2-CB 4.43Å; L178-V197 HydrophobicContact CD2-CG1 3.77Å; L178-V197 HydrophobicContact CD2-CG2 4.25Å; R193-V197 VanDerWaalsContact O-CG2 3.27Å; R193-V197 WeakPolarHBondContact O-CG2 2.86Å; R193-V197 PolarHBondContact O-N 3.29Å; L194-V197 WeakPolarHBondContact O-CB 3.16Å; L194-V197 PolarHBondContact O-N 2.03Å; Q195-V197 VanDerWaalsContact C-N 3.32Å; Q195-V197 PolarHBondContact O-N 2.84Å; V197-A199 PolarHBondContact O-N 3.13Å; V197-T200 PolarHBondContact O-N 2.78Å; V197-I201 HydrophobicContact CG1-CD1 3.81Å; V197-I201 HydrophobicContact CG1-CG1 4.35Å; V197-I201 WeakPolarHBondContact O-CG1 3.15Å; V197-I201 PolarHBondContact O-N 3.32Å
198H86.5Confident83.3Confident11 Ų1137.1 Ų37.15%0.05122%0.221CC..Hα-helixtrans-62.3-44179.4-178.5-155.7000111.8L194 Q195 T200 I201 R202 V230 D234L194-H198 PolarHBondContact O-N 3.23Å; Q195-H198 PolarHBondContact O-N 3.31Å; H198-T200 PolarHBondContact O-N 2.81Å; H198-I201 PolarHBondContact O-N 3.28Å; H198-R202 PolarHBondContact CE1-NH2 2.89Å; H198-R202 WeakPolarHBondContact O-CB 3.48Å; H198-R202 PolarHBondContact O-N 2.89Å; H198-V230 HydrophobicContact CB-CG1 3.83Å; H198-D234 HydrophobicContact CB-CB 4.24Å; H198-D234 IonicContact CE1-OD2 2.79Å; H198-D234 IonicContact CG-OD2 3.87Å; H198-D234 WeakPolarHBondContact ND1-CB 3.34Å; H198-D234 IonicContact ND1-OD2 2.68Å; H198-D234 PolarHBondContact ND1-OD2 2.92Å
199A83.5Confident82.6Confident50 Ų5033.3 Ų33.341%0.41320%0.196SC..Hα-helixtrans-57.6-41.2174.500000111.4Q195 V197 R202 S203Q195-A199 WeakPolarHBondContact O-CB 2.91Å; Q195-A199 PolarHBondContact O-N 3.47Å; V197-A199 PolarHBondContact O-N 3.13Å; A199-R202 PolarHBondContact O-N 2.97Å; A199-S203 WeakPolarHBondContact O-CB 2.89Å; A199-S203 PolarHBondContact O-N 3.15Å
200T81.4Confident81.7Confident4 Ų443.2 Ų43.23%0.02523%0.233CC..Hα-helixtrans-70-40179.1-54.90000112.6P39 L43 F44 D196 V197 H198 R202 S203 R204P39-T200 HydrophobicContact CB-CG2 3.64Å; P39-T200 HydrophobicContact CG-CG2 4.27Å; L43-T200 HydrophobicContact CB-CG2 4.26Å; L43-T200 WeakPolarHBondContact CD1-OG1 3.27Å; F44-T200 HydrophobicContact CD2-CG2 3.31Å; F44-T200 HydrophobicContact CE2-CG2 3.29Å; D196-T200 WeakPolarHBondContact O-CB 3.42Å; D196-T200 PolarHBondContact O-N 3.33Å; D196-T200 PolarHBondContact O-OG1 2.92Å; V197-T200 PolarHBondContact O-N 2.78Å; H198-T200 PolarHBondContact O-N 2.81Å; T200-R202 VanDerWaalsContact C-N 3.31Å; T200-R202 PolarHBondContact O-N 2.69Å; T200-S203 PolarHBondContact O-N 3.41Å; T200-R204 WeakPolarHBondContact O-CG 3.35Å; T200-R204 PolarHBondContact O-N 3.33Å
201I82.3Confident80.8Confident4 Ų441.9 Ų41.92%0.02122%0.222CC..Hα-helixtrans-60.6-44.1173.6-68.1168.5000110.2F44 V197 H198 R204 A205 L211 V227 V230F44-I201 HydrophobicContact CE2-CG1 4.04Å; F44-I201 HydrophobicContact CZ-CD1 4.3Å; F44-I201 HydrophobicContact CZ-CG1 3.65Å; V197-I201 HydrophobicContact CG1-CD1 3.81Å; V197-I201 HydrophobicContact CG1-CG1 4.35Å; V197-I201 WeakPolarHBondContact O-CG1 3.15Å; V197-I201 PolarHBondContact O-N 3.32Å; H198-I201 PolarHBondContact O-N 3.28Å; I201-R204 PolarHBondContact O-N 2.86Å; I201-A205 WeakPolarHBondContact O-CB 3.34Å; I201-A205 PolarHBondContact O-N 3.34Å; I201-L211 HydrophobicContact CG2-CD1 3.98Å; I201-L211 HydrophobicContact CG2-CD2 4.08Å; I201-V227 HydrophobicContact CG2-CG1 3.74Å; I201-V227 HydrophobicContact CG2-CG2 4.17Å; I201-V230 HydrophobicContact CD1-CG1 4.31Å
202R83.5Confident80Confident71 Ų7142.7 Ų42.727%0.26823%0.226SC..Hα-helixtrans-61.4-50.4178.4-172.3-172.5-50.1159.110.3111.7H198 A199 T200 R204 A205 N206H198-R202 PolarHBondContact CE1-NH2 2.89Å; H198-R202 WeakPolarHBondContact O-CB 3.48Å; H198-R202 PolarHBondContact O-N 2.89Å; A199-R202 PolarHBondContact O-N 2.97Å; T200-R202 VanDerWaalsContact C-N 3.31Å; T200-R202 PolarHBondContact O-N 2.69Å; R202-R204 VanDerWaalsContact C-N 3.34Å; R202-R204 PolarHBondContact O-N 3.19Å; R202-A205 WeakPolarHBondContact O-CB 3.35Å; R202-A205 PolarHBondContact O-N 3.01Å; R202-A205 VanDerWaalsContact O-N 3.13Å; R202-N206 PolarHBondContact O-N 3.45Å
203S80.7Confident79.2Confident4 Ų440.6 Ų40.63%0.02823%0.225CC..Hα-helixtrans-56-47.2176.5170.20000111.6A37 P39 A199 T200 A205 N206 L207A37-S203 VanDerWaalsContact O-CB 3.26Å; A37-S203 WeakPolarHBondContact O-CB 3.39Å; A37-S203 PolarHBondContact O-OG 3.1Å; P39-S203 VanDerWaalsContact CD-OG 3.26Å; P39-S203 WeakPolarHBondContact CD-OG 3.31Å; A199-S203 WeakPolarHBondContact O-CB 2.89Å; A199-S203 PolarHBondContact O-N 3.15Å; T200-S203 PolarHBondContact O-N 3.41Å; S203-A205 VanDerWaalsContact C-N 3.34Å; S203-A205 PolarHBondContact O-N 3.38Å; S203-N206 PolarHBondContact O-N 3.12Å; S203-L207 WeakPolarHBondContact O-CB 3.37Å; S203-L207 WeakPolarHBondContact O-CD1 3.29Å; S203-L207 VanDerWaalsContact O-CG 3.26Å; S203-L207 WeakPolarHBondContact O-CG 3.4Å; S203-L207 PolarHBondContact O-N 3.22Å
204R79.6Confident78.3Confident6 Ų643.3 Ų43.32%0.02324%0.24CC..Hα-helixtrans-59.2-43.5175.5-72.7-171.972.884.60112.4P39 E50 T200 I201 R202 L207 G208 L209 R210 L211P39-R204 HydrophobicContact CG-CG 3.94Å; E50-R204 IonicContact OE1-CZ 3.66Å; E50-R204 IonicContact OE1-NH1 2.61Å; E50-R204 IonicContact OE1-NH2 3.31Å; E50-R204 PolarHBondContact OE1-NH2 3.34Å; E50-R204 VanDerWaalsContact OE1-NH2 3.13Å; T200-R204 WeakPolarHBondContact O-CG 3.35Å; T200-R204 PolarHBondContact O-N 3.33Å; I201-R204 PolarHBondContact O-N 2.86Å; R202-R204 VanDerWaalsContact C-N 3.34Å; R202-R204 PolarHBondContact O-N 3.19Å; R204-L207 PolarHBondContact O-N 2.74Å; R204-G208 PolarHBondContact O-N 3.23Å; R204-L209 HydrophobicContact CB-CB 4.04Å; R204-L209 HydrophobicContact CB-CD1 4.34Å; R204-L209 HydrophobicContact CG-CB 4.4Å; R204-L209 HydrophobicContact CG-CD1 4.02Å; R204-L209 WeakPolarHBondContact O-CB 3.26Å; R204-L209 PolarHBondContact O-N 3.39Å; R204-R210 PolarHBondContact NH2-O 2.87Å; R204-L211 HydrophobicContact CB-CD2 3.88Å
205A79.9Confident77.3Confident61 Ų6143.3 Ų43.350%0.50424%0.24SC..Hα-helixtrans-64.1-44.2178.100000112.1I201 R202 S203 L207 G208I201-A205 WeakPolarHBondContact O-CB 3.34Å; I201-A205 PolarHBondContact O-N 3.34Å; R202-A205 WeakPolarHBondContact O-CB 3.35Å; R202-A205 PolarHBondContact O-N 3.01Å; R202-A205 VanDerWaalsContact O-N 3.13Å; S203-A205 VanDerWaalsContact C-N 3.34Å; S203-A205 PolarHBondContact O-N 3.38Å; A205-L207 PolarHBondContact O-N 3.07Å; A205-G208 PolarHBondContact O-N 2.77Å; A205-G208 VanDerWaalsContact O-N 3.1Å
206N78Confident76.2Confident56 Ų5646.8 Ų46.830%0.29926%0.262SS..Hα-helixtrans-61.7-33.6176.9-72.7-19.4000112.2D36 R202 S203 G208D36-N206 PolarHBondContact OD1-ND2 3.21Å; R202-N206 PolarHBondContact O-N 3.45Å; S203-N206 PolarHBondContact O-N 3.12Å; N206-G208 VanDerWaalsContact C-N 3.25Å; N206-G208 PolarHBondContact O-N 2.99Å
207L76.6Confident75.2Confident40 Ų4049.1 Ų49.121%0.20927%0.274CS..THydrogen-bonded Turntrans-84.96.1178.7-65.9161.4000113.6F55 T63 S203 R204 A205 L209F55-L207 HydrophobicContact CE1-CD1 3.53Å; F55-L207 HydrophobicContact CE1-CD2 3.96Å; F55-L207 HydrophobicContact CE1-CG 4.24Å; F55-L207 HydrophobicContact CE2-CD1 4.41Å; F55-L207 HydrophobicContact CZ-CB 4.26Å; F55-L207 HydrophobicContact CZ-CD1 3.33Å; F55-L207 HydrophobicContact CZ-CD2 4.31Å; F55-L207 HydrophobicContact CZ-CG 4.14Å; T63-L207 HydrophobicContact CG2-CD1 3.95Å; T63-L207 HydrophobicContact CG2-CD2 3.88Å; T63-L207 HydrophobicContact CG2-CG 4.34Å; S203-L207 WeakPolarHBondContact O-CB 3.37Å; S203-L207 WeakPolarHBondContact O-CD1 3.29Å; S203-L207 VanDerWaalsContact O-CG 3.26Å; S203-L207 WeakPolarHBondContact O-CG 3.4Å; S203-L207 PolarHBondContact O-N 3.22Å; R204-L207 PolarHBondContact O-N 2.74Å; A205-L207 PolarHBondContact O-N 3.07Å; L207-L209 HydrophobicContact CB-CD1 4.15Å; L207-L209 HydrophobicContact CB-CG 3.92Å; L207-L209 PolarHBondContact O-N 2.95Å
208G75.3Confident74Confident64 Ų6460.9 Ų60.966%0.6632%0.319SS*.THydrogen-bonded Turntrans63.122.6-177.500000113.5R204 A205 N206R204-G208 PolarHBondContact O-N 3.23Å; A205-G208 PolarHBondContact O-N 2.77Å; A205-G208 VanDerWaalsContact O-N 3.1Å; N206-G208 VanDerWaalsContact C-N 3.25Å; N206-G208 PolarHBondContact O-N 2.99Å
209L73.8Confident72.8Confident13 Ų1361.8 Ų61.87%0.06832%0.322CS..PPolyproline II helixtrans-81.9135.7-179.6-62.3178.1000110.9R54 F55 R204 L207 L211R54-L209 VanDerWaalsContact CD-CD2 3.45Å; R54-L209 HydrophobicContact CG-CD2 4.38Å; F55-L209 HydrophobicContact CE2-CD1 3.74Å; F55-L209 HydrophobicContact CZ-CD1 3.78Å; R204-L209 HydrophobicContact CB-CB 4.04Å; R204-L209 HydrophobicContact CB-CD1 4.34Å; R204-L209 HydrophobicContact CG-CB 4.4Å; R204-L209 HydrophobicContact CG-CD1 4.02Å; R204-L209 WeakPolarHBondContact O-CB 3.26Å; R204-L209 PolarHBondContact O-N 3.39Å; L207-L209 HydrophobicContact CB-CD1 4.15Å; L207-L209 HydrophobicContact CB-CG 3.92Å; L207-L209 PolarHBondContact O-N 2.95Å; L209-L211 PolarHBondContact O-N 2.69Å
210R70Confident71.4Confident208 Ų20864.4 Ų64.479%0.78534%0.335SS*.PPolyproline II helixtrans-62.4126.8173.1-170171.3177.2152.2-0.7109.7R204R204-R210 PolarHBondContact NH2-O 2.87Å
211L70.7Confident70.2Confident28 Ų2868.7 Ų68.715%0.14738%0.379CS..PPolyproline II helixtrans-71.3141.6169.2-64177.9000109I201 R204 L209 T216 V227I201-L211 HydrophobicContact CG2-CD1 3.98Å; I201-L211 HydrophobicContact CG2-CD2 4.08Å; R204-L211 HydrophobicContact CB-CD2 3.88Å; L209-L211 PolarHBondContact O-N 2.69Å; L211-T216 HydrophobicContact CB-CG2 3.88Å; L211-V227 HydrophobicContact CD1-CG2 3.92Å
212Q68.8Low68.9Low40 Ų4070.4 Ų70.419%0.18740%0.398CS..PPolyproline II helixtrans-54.7141.8178.5-67.1-176.3-12.100110.4Q214 L215 T216Q212-Q214 PolarHBondContact O-N 3.18Å; Q212-L215 HydrophobicContact CB-CD1 4.34Å; Q212-L215 HydrophobicContact CB-CG 4.45Å; Q212-L215 WeakPolarHBondContact O-CB 3.46Å; Q212-L215 PolarHBondContact O-N 3.12Å; Q212-T216 PolarHBondContact O-N 3.05Å; Q212-T216 PolarHBondContact O-OG1 2.95Å
213P66.8Low67.6Low80 Ų8076.9 Ų76.952%0.51943%0.431SS..Hα-helixtrans-49.3-38.3179.6-30.436.2000113.3L215 T216 N217P213-L215 PolarHBondContact O-N 2.53Å; P213-T216 WeakPolarHBondContact CA-OG1 3.42Å; P213-T216 PolarHBondContact O-N 2.88Å; P213-T216 PolarHBondContact O-OG1 3.37Å; P213-N217 VanDerWaalsContact O-CG 3.24Å; P213-N217 PolarHBondContact O-N 3.22Å; P213-N217 PolarHBondContact O-OD1 3.13Å; P213-N217 VanDerWaalsContact O-OD1 3.07Å
214Q66.3Low67Low108 Ų10881.3 Ų81.351%0.50546%0.458SS..Hα-helixtrans-57.6-34.6177.8-62.2174.413.200112.9K177 F181 Q212K177-Q214 WeakPolarHBondContact CE-O 3.32Å; K177-Q214 PolarHBondContact NZ-O 3.25Å; F181-Q214 HydrophobicContact CE1-CB 4.44Å; F181-Q214 HydrophobicContact CZ-CB 4.02Å; Q212-Q214 PolarHBondContact O-N 3.18Å
215L66.7Low66.9Low1 Ų182.2 Ų82.21%0.00547%0.469CS..Hα-helixtrans-82-23.9178-57.9170.8000112.8F44 F181 Q212 P213 F226F44-L215 HydrophobicContact CD1-CD1 3.76Å; F44-L215 HydrophobicContact CE1-CD1 3.3Å; F44-L215 HydrophobicContact CE1-CD2 3.85Å; F44-L215 HydrophobicContact CE1-CG 4.14Å; F44-L215 HydrophobicContact CE2-CD1 4.5Å; F44-L215 HydrophobicContact CZ-CD1 3.72Å; F181-L215 HydrophobicContact CE1-CD2 4.19Å; F181-L215 HydrophobicContact CE2-CD2 3.78Å; F181-L215 HydrophobicContact CZ-CD2 3.55Å; F181-L215 HydrophobicContact CZ-CG 4.23Å; Q212-L215 HydrophobicContact CB-CD1 4.34Å; Q212-L215 HydrophobicContact CB-CG 4.45Å; Q212-L215 WeakPolarHBondContact O-CB 3.46Å; Q212-L215 PolarHBondContact O-N 3.12Å; P213-L215 PolarHBondContact O-N 2.53Å; L215-F226 HydrophobicContact CB-CD1 4.44Å; L215-F226 HydrophobicContact CD2-CD1 4.18Å; L215-F226 HydrophobicContact CD2-CE1 3.61Å
216T63.6Low67.1Low85 Ų8579.5 Ų79.552%0.52145%0.446SS..Hα-helixtrans-93.4-16.6-177.840.90000113.4L211 Q212 P213 R218L211-T216 HydrophobicContact CB-CG2 3.88Å; Q212-T216 PolarHBondContact O-N 3.05Å; Q212-T216 PolarHBondContact O-OG1 2.95Å; P213-T216 WeakPolarHBondContact CA-OG1 3.42Å; P213-T216 PolarHBondContact O-N 2.88Å; P213-T216 PolarHBondContact O-OG1 3.37Å; T216-R218 PolarHBondContact O-N 2.79Å
217N62.1Low67.3Low95 Ų9579 Ų7951%0.50845%0.445SS..SBendtrans-51.3138.5175-74.2-11.6000111.8P213 Y219P213-N217 VanDerWaalsContact O-CG 3.24Å; P213-N217 PolarHBondContact O-N 3.22Å; P213-N217 PolarHBondContact O-OD1 3.13Å; P213-N217 VanDerWaalsContact O-OD1 3.07Å; N217-Y219 PolarHBondContact O-N 3.3Å
218R58.7Low67.7Low250 Ų25078 Ų7894%0.94344%0.444SS*.PPolyproline II helixtrans-48129175.1-87.9-170.8-110.5-142.1-1.9109.6T216T216-R218 PolarHBondContact O-N 2.79Å
219Y59.4Low68.2Low30 Ų3075.4 Ų75.412%0.11842%0.416CS..PPolyproline II helixtrans-99.1124.7179.4-173.3-96.7000108.6S173 V174 N217 G221 F226 A229S173-Y219 WeakPolarHBondContact CB-OH 3.26Å; S173-Y219 PolarHBondContact OG-OH 2.59Å; V174-Y219 WeakPolarHBondContact CA-OH 3.44Å; V174-Y219 HydrophobicContact CG2-CE1 4.09Å; V174-Y219 HydrophobicContact CG2-CE2 3.95Å; V174-Y219 VanDerWaalsContact CG2-CZ 3.45Å; V174-Y219 WeakPolarHBondContact CG2-OH 3.32Å; V174-Y219 PolarHBondContact N-OH 3.07Å; N217-Y219 PolarHBondContact O-N 3.3Å; Y219-G221 PolarHBondContact O-N 2.53Å; Y219-F226 HydrophobicContact CD2-CB 4.08Å; Y219-F226 AromaticContact CD2-CD2 3.58Å; Y219-F226 HydrophobicContact CD2-CD2 3.58Å; Y219-F226 HydrophobicContact CD2-CG 4.3Å; Y219-F226 AromaticContact CE2-CD2 3.8Å; Y219-F226 HydrophobicContact CE2-CD2 3.8Å; Y219-F226 HydrophobicContact CE2-CE2 4.38Å; Y219-F226 HydrophobicContact CG-CB 4.25Å; Y219-F226 HydrophobicContact CG-CD2 4.42Å; Y219-A229 HydrophobicContact CE1-CB 4.41Å
220P56.1Low68.9Low105 Ų10574.8 Ų74.868%0.68241%0.413SS*.THydrogen-bonded Turntrans-59.2131.9177.7-20.131000110.8
221G55.2Low69.8Low93 Ų9368.6 Ų68.696%0.95939%0.392SS*.THydrogen-bonded Turntrans8716.2165.500000118Y219Y219-G221 PolarHBondContact O-N 2.53Å
222G55.2Low70.7Confident40 Ų4070.8 Ų70.841%0.41240%0.398SS..  trans-146.9135.1177.200000114.5T224G222-T224 PolarHBondContact O-N 3.48Å
223Q56.2Low71.7Confident207 Ų20768.9 Ų68.997%0.96739%0.389SS*.THydrogen-bonded Turntrans-61.6-24.2178.6-66.1-158.9-7.200113.5
224T67.7Low72.8Confident97 Ų9765.8 Ų65.860%0.59537%0.368SS*.THydrogen-bonded Turntrans-100.64.3-170.361.30000114.9G222 G228G222-T224 PolarHBondContact O-N 3.48Å; T224-G228 PolarHBondContact O-N 3.25Å; T224-G228 WeakPolarHBondContact OG1-CA 3.43Å
225G78.1Confident73.8Confident25 Ų2562.6 Ų62.626%0.25836%0.355SS..Hα-helixtrans65-177.6-174.400000114.5V227 G228 A229G225-V227 PolarHBondContact O-N 3.3Å; G225-G228 PolarHBondContact O-N 3.06Å; G225-A229 PolarHBondContact O-N 2.85Å
226F82.9Confident74.8Confident4 Ų463.6 Ų63.62%0.01836%0.36CS..Hα-helixtrans-61.1-44-174.9178.7-110000112.7V174 K177 L178 L215 Y219 G228 A229 V230V174-F226 HydrophobicContact CB-CE2 4.44Å; V174-F226 HydrophobicContact CG1-CE2 3.88Å; K177-F226 HydrophobicContact CB-CE2 3.85Å; K177-F226 HydrophobicContact CB-CZ 4.3Å; K177-F226 HydrophobicContact CD-CD2 3.67Å; K177-F226 HydrophobicContact CD-CE2 3.54Å; K177-F226 HydrophobicContact CD-CG 4.21Å; K177-F226 HydrophobicContact CD-CZ 4.01Å; K177-F226 HydrophobicContact CG-CD2 4.39Å; K177-F226 HydrophobicContact CG-CE2 3.75Å; K177-F226 HydrophobicContact CG-CZ 3.91Å; L178-F226 HydrophobicContact CD2-CE1 4.33Å; L178-F226 HydrophobicContact CD2-CZ 3.72Å; L178-F226 HydrophobicContact CG-CZ 3.99Å; L215-F226 HydrophobicContact CB-CD1 4.44Å; L215-F226 HydrophobicContact CD2-CD1 4.18Å; L215-F226 HydrophobicContact CD2-CE1 3.61Å; Y219-F226 HydrophobicContact CD2-CB 4.08Å; Y219-F226 AromaticContact CD2-CD2 3.58Å; Y219-F226 HydrophobicContact CD2-CD2 3.58Å; Y219-F226 HydrophobicContact CD2-CG 4.3Å; Y219-F226 AromaticContact CE2-CD2 3.8Å; Y219-F226 HydrophobicContact CE2-CD2 3.8Å; Y219-F226 HydrophobicContact CE2-CE2 4.38Å; Y219-F226 HydrophobicContact CG-CB 4.25Å; Y219-F226 HydrophobicContact CG-CD2 4.42Å; F226-G228 VanDerWaalsContact C-N 3.35Å; F226-G228 PolarHBondContact O-N 3.05Å; F226-A229 PolarHBondContact O-N 2.97Å; F226-V230 HydrophobicContact CD1-CG2 4.32Å; F226-V230 HydrophobicContact CD2-CG2 4.45Å; F226-V230 HydrophobicContact CE1-CG2 3.92Å; F226-V230 HydrophobicContact CE2-CG2 4.09Å; F226-V230 HydrophobicContact CZ-CG2 3.82Å; F226-V230 WeakPolarHBondContact O-CG2 3.45Å; F226-V230 PolarHBondContact O-N 3.49Å
227V82.8Confident76Confident47 Ų4759.6 Ų59.629%0.28534%0.335SS..Hα-helixtrans-61.6-43.7178.9173.40000111.1I201 L211 G225 A229 V230 K231I201-V227 HydrophobicContact CG2-CG1 3.74Å; I201-V227 HydrophobicContact CG2-CG2 4.17Å; L211-V227 HydrophobicContact CD1-CG2 3.92Å; G225-V227 PolarHBondContact O-N 3.3Å; V227-A229 VanDerWaalsContact C-N 3.35Å; V227-A229 PolarHBondContact O-N 3.24Å; V227-V230 PolarHBondContact O-N 3.3Å; V227-K231 PolarHBondContact O-N 2.93Å
228G84.8Confident77Confident17 Ų1755.9 Ų55.918%0.17532%0.316CS..Hα-helixtrans-65.2-37.5175.900000112.8T224 G225 F226 K231 R232T224-G228 PolarHBondContact O-N 3.25Å; T224-G228 WeakPolarHBondContact OG1-CA 3.43Å; G225-G228 PolarHBondContact O-N 3.06Å; F226-G228 VanDerWaalsContact C-N 3.35Å; F226-G228 PolarHBondContact O-N 3.05Å; G228-K231 PolarHBondContact O-N 2.86Å; G228-R232 WeakPolarHBondContact O-CB 3.22Å; G228-R232 PolarHBondContact O-N 2.72Å
229A86.8Confident78.3Confident10 Ų1047.3 Ų47.38%0.08328%0.284CS..Hα-helixtrans-65.5-39.8174.700000112.3V174 Y219 G225 F226 V227 R232 L233V174-A229 HydrophobicContact CG2-CB 3.65Å; Y219-A229 HydrophobicContact CE1-CB 4.41Å; G225-A229 PolarHBondContact O-N 2.85Å; F226-A229 PolarHBondContact O-N 2.97Å; V227-A229 VanDerWaalsContact C-N 3.35Å; V227-A229 PolarHBondContact O-N 3.24Å; A229-R232 PolarHBondContact O-N 2.93Å; A229-L233 WeakPolarHBondContact O-CB 3.48Å; A229-L233 PolarHBondContact O-N 2.64Å
230V88.6Confident79.6Confident0 Ų046.5 Ų46.50%028%0.282CS..Hα-helixtrans-62.3-46.9172.7168.20000111.1V174 L178 L194 H198 I201 F226 V227 R232 L233 D234V174-V230 HydrophobicContact CG1-CG2 3.71Å; L178-V230 HydrophobicContact CD1-CG2 4.5Å; L194-V230 HydrophobicContact CD1-CG1 3.99Å; H198-V230 HydrophobicContact CB-CG1 3.83Å; I201-V230 HydrophobicContact CD1-CG1 4.31Å; F226-V230 HydrophobicContact CD1-CG2 4.32Å; F226-V230 HydrophobicContact CD2-CG2 4.45Å; F226-V230 HydrophobicContact CE1-CG2 3.92Å; F226-V230 HydrophobicContact CE2-CG2 4.09Å; F226-V230 HydrophobicContact CZ-CG2 3.82Å; F226-V230 WeakPolarHBondContact O-CG2 3.45Å; F226-V230 PolarHBondContact O-N 3.49Å; V227-V230 PolarHBondContact O-N 3.3Å; V230-R232 VanDerWaalsContact C-N 3.34Å; V230-R232 PolarHBondContact O-N 2.95Å; V230-L233 PolarHBondContact O-N 2.99Å; V230-D234 WeakPolarHBondContact O-CB 3.43Å; V230-D234 PolarHBondContact O-N 3.4Å
231K88.6Confident80.9Confident78 Ų7842.5 Ų42.534%0.33925%0.254SS..Hα-helixtrans-57.3-46.5175.3175.5176.6-179-178.70111.3V227 G228 D234 N235 E313V227-K231 PolarHBondContact O-N 2.93Å; G228-K231 PolarHBondContact O-N 2.86Å; K231-D234 PolarHBondContact O-N 3.24Å; K231-N235 WeakPolarHBondContact O-CB 3.34Å; K231-N235 VanDerWaalsContact O-CG 3.3Å; K231-N235 PolarHBondContact O-N 3.1Å; K231-E313 IonicContact NZ-OE1 3.13Å; K231-E313 PolarHBondContact NZ-OE1 3.18Å
232R88.2Confident82.2Confident75 Ų7538.7 Ų38.728%0.28321%0.211SC..Hα-helixtrans-61.9-46.5178.8-174.5174.3178.5-175.5-1.9111.8F171 G228 A229 V230 N235 L236F171-R232 HydrophobicContact CE1-CB 4.4Å; F171-R232 HydrophobicContact CE1-CG 4.42Å; F171-R232 HydrophobicContact CZ-CG 4.03Å; G228-R232 WeakPolarHBondContact O-CB 3.22Å; G228-R232 PolarHBondContact O-N 2.72Å; A229-R232 PolarHBondContact O-N 2.93Å; V230-R232 VanDerWaalsContact C-N 3.34Å; V230-R232 PolarHBondContact O-N 2.95Å; R232-N235 WeakPolarHBondContact O-CB 3.45Å; R232-N235 PolarHBondContact O-N 3.48Å; R232-L236 HydrophobicContact CG-CD1 4.07Å; R232-L236 WeakPolarHBondContact O-CG 3.18Å; R232-L236 PolarHBondContact O-N 3.25Å
233L91Very high83.5Confident0 Ų039.3 Ų39.30%021%0.205CC..Hα-helixtrans-66-39178.5-172.660000112L167 F171 L175 L194 A229 V230 L236 T237L167-L233 HydrophobicContact CB-CD1 4.33Å; F171-L233 HydrophobicContact CB-CD1 4.03Å; F171-L233 HydrophobicContact CB-CD2 3.78Å; F171-L233 HydrophobicContact CB-CG 4.4Å; F171-L233 HydrophobicContact CD1-CB 3.83Å; F171-L233 HydrophobicContact CD1-CD1 4.2Å; F171-L233 HydrophobicContact CD1-CD2 4.24Å; F171-L233 HydrophobicContact CD1-CG 4.29Å; F171-L233 HydrophobicContact CD2-CD1 3.76Å; F171-L233 HydrophobicContact CE1-CB 4.01Å; F171-L233 HydrophobicContact CE2-CD1 4.26Å; F171-L233 HydrophobicContact CG-CB 4.25Å; F171-L233 HydrophobicContact CG-CD1 3.73Å; F171-L233 HydrophobicContact CG-CD2 4.1Å; F171-L233 HydrophobicContact CG-CG 4.22Å; L175-L233 HydrophobicContact CD2-CD2 3.92Å; L175-L233 HydrophobicContact CG-CD2 4.28Å; L194-L233 HydrophobicContact CD1-CD2 4.07Å; L194-L233 HydrophobicContact CD2-CB 3.94Å; L194-L233 HydrophobicContact CD2-CD2 3.58Å; L194-L233 HydrophobicContact CD2-CG 3.43Å; L194-L233 VanDerWaalsContact CD2-CG 3.43Å; L194-L233 HydrophobicContact CG-CD2 4.47Å; A229-L233 WeakPolarHBondContact O-CB 3.48Å; A229-L233 PolarHBondContact O-N 2.64Å; V230-L233 PolarHBondContact O-N 2.99Å; L233-L236 PolarHBondContact O-N 3.15Å; L233-T237 HydrophobicContact CD1-CG2 4.11Å; L233-T237 HydrophobicContact CG-CG2 4.28Å; L233-T237 WeakPolarHBondContact O-CB 3.32Å; L233-T237 WeakPolarHBondContact O-CG2 3.31Å; L233-T237 PolarHBondContact O-N 3.48Å; L233-T237 PolarHBondContact O-OG1 2.68Å
234D89.6Confident84.7Confident14 Ų1431.4 Ų31.48%0.07517%0.171CC..Hα-helixtrans-59.9-47.7174.3179.230.5000111.6Q195 H198 V230 K231 L236 T237 T238Q195-D234 WeakPolarHBondContact CG-OD1 3.31Å; H198-D234 HydrophobicContact CB-CB 4.24Å; H198-D234 IonicContact CE1-OD2 2.79Å; H198-D234 IonicContact CG-OD2 3.87Å; H198-D234 WeakPolarHBondContact ND1-CB 3.34Å; H198-D234 IonicContact ND1-OD2 2.68Å; H198-D234 PolarHBondContact ND1-OD2 2.92Å; V230-D234 WeakPolarHBondContact O-CB 3.43Å; V230-D234 PolarHBondContact O-N 3.4Å; K231-D234 PolarHBondContact O-N 3.24Å; D234-L236 PolarHBondContact O-N 3.25Å; D234-T237 WeakPolarHBondContact CA-OG1 3.18Å; D234-T237 PolarHBondContact O-N 2.92Å; D234-T237 PolarHBondContact O-OG1 3.31Å; D234-T238 WeakPolarHBondContact O-CB 3.28Å; D234-T238 PolarHBondContact O-N 2.67Å; D234-T238 PolarHBondContact O-OG1 3.2Å; D234-T238 PolarHBondContact OD1-OG1 2.98Å
235N87.2Confident85.1Confident42 Ų4230.3 Ų30.323%0.22516%0.161CC..Hα-helixtrans-56.5-48.4176.1-80.90.5000112.3K231 R232 T238 Y239 L529K231-N235 WeakPolarHBondContact O-CB 3.34Å; K231-N235 VanDerWaalsContact O-CG 3.3Å; K231-N235 PolarHBondContact O-N 3.1Å; R232-N235 WeakPolarHBondContact O-CB 3.45Å; R232-N235 PolarHBondContact O-N 3.48Å; N235-T238 PolarHBondContact O-N 3.13Å; N235-Y239 WeakPolarHBondContact O-CB 3.41Å; N235-Y239 PolarHBondContact O-N 3.45Å; N235-L529 HydrophobicContact CB-CB 4.46Å; N235-L529 HydrophobicContact CB-CD2 3.58Å; N235-L529 HydrophobicContact CB-CG 4.44Å
236L87.7Confident85.1Confident22 Ų2233.5 Ų33.512%0.11517%0.169CC..Hα-helixtrans-65.6-42.8179.1-70.8169.6000112.3L167 F171 R232 L233 D234 T238 Y239 L240 F531L167-L236 HydrophobicContact CD1-CB 4.19Å; L167-L236 HydrophobicContact CD2-CB 4.37Å; L167-L236 HydrophobicContact CD2-CD1 3.84Å; F171-L236 HydrophobicContact CE2-CD1 4.03Å; F171-L236 HydrophobicContact CZ-CD1 4.08Å; R232-L236 HydrophobicContact CG-CD1 4.07Å; R232-L236 WeakPolarHBondContact O-CG 3.18Å; R232-L236 PolarHBondContact O-N 3.25Å; L233-L236 PolarHBondContact O-N 3.15Å; D234-L236 PolarHBondContact O-N 3.25Å; L236-T238 VanDerWaalsContact C-N 3.35Å; L236-Y239 WeakPolarHBondContact O-CB 3.37Å; L236-Y239 PolarHBondContact O-N 3.33Å; L236-L240 WeakPolarHBondContact O-CG 3.32Å; L236-L240 PolarHBondContact O-N 3.04Å; L236-F531 HydrophobicContact CD2-CZ 4.23Å
237T89.2Confident85.1Confident0 Ų033.3 Ų33.30%017%0.168CC..Hα-helixtrans-67.2-37.6177.957.30000111.7F191 L194 L233 D234 L240 E241F191-T237 HydrophobicContact CB-CG2 4.28Å; F191-T237 HydrophobicContact CD1-CG2 3.58Å; F191-T237 HydrophobicContact CD2-CG2 3.74Å; F191-T237 HydrophobicContact CE1-CG2 3.67Å; F191-T237 HydrophobicContact CE2-CG2 3.82Å; F191-T237 HydrophobicContact CG-CG2 3.62Å; F191-T237 HydrophobicContact CZ-CG2 3.78Å; L194-T237 HydrophobicContact CD2-CG2 4.28Å; L233-T237 HydrophobicContact CD1-CG2 4.11Å; L233-T237 HydrophobicContact CG-CG2 4.28Å; L233-T237 WeakPolarHBondContact O-CB 3.32Å; L233-T237 WeakPolarHBondContact O-CG2 3.31Å; L233-T237 PolarHBondContact O-N 3.48Å; L233-T237 PolarHBondContact O-OG1 2.68Å; D234-T237 WeakPolarHBondContact CA-OG1 3.18Å; D234-T237 PolarHBondContact O-N 2.92Å; D234-T237 PolarHBondContact O-OG1 3.31Å; T237-L240 PolarHBondContact O-N 3.42Å; T237-E241 WeakPolarHBondContact O-CG 3.13Å; T237-E241 PolarHBondContact O-N 2.9Å
238T84.2Confident84.8Confident17 Ų1731.1 Ų31.110%0.10416%0.155CC..Hα-helixtrans-65.4-41.7173-60.40000111.1Q195 D234 N235 L236 L240 E241 Y242Q195-T238 PolarHBondContact NE2-OG1 3.35Å; D234-T238 WeakPolarHBondContact O-CB 3.28Å; D234-T238 PolarHBondContact O-N 2.67Å; D234-T238 PolarHBondContact O-OG1 3.2Å; D234-T238 PolarHBondContact OD1-OG1 2.98Å; N235-T238 PolarHBondContact O-N 3.13Å; L236-T238 VanDerWaalsContact C-N 3.35Å; T238-L240 PolarHBondContact O-N 2.63Å; T238-E241 WeakPolarHBondContact O-CB 3.35Å; T238-E241 PolarHBondContact O-N 3.47Å; T238-E241 VanDerWaalsContact O-N 3.15Å; T238-Y242 HydrophobicContact CG2-CD2 4.26Å; T238-Y242 HydrophobicContact CG2-CE2 3.95Å; T238-Y242 WeakPolarHBondContact O-CD2 3.4Å
239Y84.4Confident84.2Confident70 Ų7034.1 Ų34.128%0.27516%0.161SC..Hα-helixtrans-59-47.2174.2174.9-105000111.8N235 L236 E241 Y242 N243 L525 L529N235-Y239 WeakPolarHBondContact O-CB 3.41Å; N235-Y239 PolarHBondContact O-N 3.45Å; L236-Y239 WeakPolarHBondContact O-CB 3.37Å; L236-Y239 PolarHBondContact O-N 3.33Å; Y239-E241 PolarHBondContact O-N 3.23Å; Y239-Y242 CarbonylContact O-C 3.55Å; Y239-Y242 PolarHBondContact O-N 3.18Å; Y239-N243 HydrophobicContact CD1-CB 3.89Å; Y239-N243 HydrophobicContact CD2-CB 4.16Å; Y239-N243 HydrophobicContact CE1-CB 3.49Å; Y239-N243 VanDerWaalsContact CE1-CB 3.49Å; Y239-N243 HydrophobicContact CE2-CB 3.76Å; Y239-N243 HydrophobicContact CG-CB 4.22Å; Y239-N243 VanDerWaalsContact CZ-CB 3.42Å; Y239-N243 VanDerWaalsContact O-CB 3.29Å; Y239-N243 WeakPolarHBondContact O-CB 3.36Å; Y239-N243 PolarHBondContact O-N 3.16Å; Y239-L525 HydrophobicContact CD2-CD2 3.96Å; Y239-L525 HydrophobicContact CE2-CD2 4.05Å; Y239-L529 HydrophobicContact CD2-CD1 4.35Å; Y239-L529 HydrophobicContact CG-CD1 4.3Å
240L87.8Confident83.4Confident14 Ų1434.9 Ų34.97%0.07316%0.164CC..Hα-helixtrans-60.3-18.9177.4-72.1-176.6000113.9Y156 A163 V164 L167 L236 T237 T238 Y242 N243 K247Y156-L240 HydrophobicContact CE2-CB 4.42Å; Y156-L240 WeakPolarHBondContact CE2-O 3.24Å; A163-L240 HydrophobicContact CB-CD1 4.11Å; A163-L240 HydrophobicContact CB-CD2 4.06Å; V164-L240 HydrophobicContact CG2-CD1 3.96Å; L167-L240 HydrophobicContact CD1-CD1 3.42Å; L167-L240 VanDerWaalsContact CD1-CD1 3.42Å; L167-L240 HydrophobicContact CD1-CG 4.38Å; L236-L240 WeakPolarHBondContact O-CG 3.32Å; L236-L240 PolarHBondContact O-N 3.04Å; T237-L240 PolarHBondContact O-N 3.42Å; T238-L240 PolarHBondContact O-N 2.63Å; L240-Y242 VanDerWaalsContact C-N 3.33Å; L240-N243 PolarHBondContact O-OD1 3.28Å; L240-K247 PolarHBondContact O-NZ 2.79Å
241E83.9Confident82.5Confident21 Ų2136.1 Ų36.110%0.09817%0.169CC..Hα-helixtrans-76.4-23.2174.3-68.6173.3164.600113.3Y152 Y156 T237 T238 Y239 K247 K251 R296Y152-E241 VanDerWaalsContact OH-CA 3.27Å; Y152-E241 WeakPolarHBondContact OH-CA 3.34Å; Y152-E241 VanDerWaalsContact OH-CB 3.31Å; Y152-E241 WeakPolarHBondContact OH-CB 3.41Å; Y152-E241 PolarHBondContact OH-O 2.96Å; Y156-E241 HydrophobicContact CE2-CG 4.09Å; T237-E241 WeakPolarHBondContact O-CG 3.13Å; T237-E241 PolarHBondContact O-N 2.9Å; T238-E241 WeakPolarHBondContact O-CB 3.35Å; T238-E241 PolarHBondContact O-N 3.47Å; T238-E241 VanDerWaalsContact O-N 3.15Å; Y239-E241 PolarHBondContact O-N 3.23Å; E241-K247 WeakPolarHBondContact O-CB 3.46Å; E241-K251 IonicContact OE1-NZ 2.64Å; E241-K251 IonicContact OE2-NZ 3.51Å; E241-K251 PolarHBondContact OE2-NZ 3.33Å; E241-R296 IonicContact OE1-CZ 2.9Å; E241-R296 IonicContact OE1-NH2 2.67Å; E241-R296 PolarHBondContact OE1-NH2 2.88Å; E241-R296 IonicContact OE2-CZ 2.63Å; E241-R296 IonicContact OE2-NE 3.96Å; E241-R296 IonicContact OE2-NH2 3.81Å; E241-R296 PolarHBondContact OE2-NH2 3.28Å
242Y81.8Confident81Confident13 Ų1333.1 Ų33.15%0.05116%0.159CC..Hα-helixtrans-127.3-6-170.9-53.2-66.9000114.2T238 Y239 L240 T244 K251 R296 G300T238-Y242 HydrophobicContact CG2-CD2 4.26Å; T238-Y242 HydrophobicContact CG2-CE2 3.95Å; T238-Y242 WeakPolarHBondContact O-CD2 3.4Å; Y239-Y242 CarbonylContact O-C 3.55Å; Y239-Y242 PolarHBondContact O-N 3.18Å; L240-Y242 VanDerWaalsContact C-N 3.33Å; Y242-T244 PolarHBondContact O-N 3.04Å; Y242-K251 HydrophobicContact CD1-CD 4.21Å; Y242-K251 HydrophobicContact CE1-CB 4.04Å; Y242-K251 HydrophobicContact CE1-CD 3.41Å; Y242-K251 VanDerWaalsContact CE1-CD 3.41Å; Y242-K251 HydrophobicContact CE1-CG 3.79Å; Y242-K251 WeakPolarHBondContact OH-CE 3.49Å; Y242-R296 WeakPolarHBondContact CE2-O 3.44Å; Y242-R296 PolarHBondContact OH-O 3.41Å; Y242-G300 VanDerWaalsContact CD1-CA 3.47Å; Y242-G300 VanDerWaalsContact CE1-CA 3.44Å
243N81.5Confident79Confident52 Ų5230.2 Ų30.228%0.27815%0.152SC..SBendtrans-66.67.3-174.673.2-27.6000115.9Y239 L240 K247Y239-N243 HydrophobicContact CD1-CB 3.89Å; Y239-N243 HydrophobicContact CD2-CB 4.16Å; Y239-N243 HydrophobicContact CE1-CB 3.49Å; Y239-N243 VanDerWaalsContact CE1-CB 3.49Å; Y239-N243 HydrophobicContact CE2-CB 3.76Å; Y239-N243 HydrophobicContact CG-CB 4.22Å; Y239-N243 VanDerWaalsContact CZ-CB 3.42Å; Y239-N243 VanDerWaalsContact O-CB 3.29Å; Y239-N243 WeakPolarHBondContact O-CB 3.36Å; Y239-N243 PolarHBondContact O-N 3.16Å; L240-N243 PolarHBondContact O-OD1 3.28Å; N243-K247 VanDerWaalsContact OD1-CE 3.28Å; N243-K247 WeakPolarHBondContact OD1-CE 3.48Å; N243-K247 PolarHBondContact OD1-NZ 2.83Å
244T82Confident76.4Confident42 Ų4231.2 Ų31.226%0.25816%0.16SC..SBendtrans-131.6141.7165.371.50000109Q159 Y242 Q246 K247 A248Q159-T244 PolarHBondContact OE1-OG1 2.68Å; Y242-T244 PolarHBondContact O-N 3.04Å; T244-Q246 PolarHBondContact O-N 2.98Å; T244-K247 PolarHBondContact O-N 3.05Å; T244-K247 WeakPolarHBondContact OG1-CB 3.4Å; T244-K247 WeakPolarHBondContact OG1-CE 3.38Å; T244-K247 WeakPolarHBondContact OG1-CG 3.47Å; T244-K247 PolarHBondContact OG1-N 2.78Å; T244-A248 PolarHBondContact O-N 2.95Å
245L75.4Confident74Confident73 Ų7339 Ų3938%0.38219%0.193SC..Hα-helixtrans-55.9-36.9179.5-175.761.3000111.9R249L245-R249 HydrophobicContact CD1-CG 4.18Å; L245-R249 HydrophobicContact CG-CG 4.44Å; L245-R249 WeakPolarHBondContact O-CB 3.45Å; L245-R249 VanDerWaalsContact O-CG 3.27Å; L245-R249 WeakPolarHBondContact O-CG 3.35Å; L245-R249 PolarHBondContact O-N 2.92Å
246Q79.5Confident71.3Confident92 Ų9239.8 Ų39.843%0.4320%0.202SC..Hα-helixtrans-60.3-47.3176-168.5178.528.700111.8I155 T244 L250I155-Q246 HydrophobicContact CD1-CG 4.07Å; I155-Q246 HydrophobicContact CG2-CG 4.5Å; T244-Q246 PolarHBondContact O-N 2.98Å; Q246-L250 HydrophobicContact CG-CD1 4.4Å; Q246-L250 VanDerWaalsContact O-CG 3.28Å; Q246-L250 WeakPolarHBondContact O-CG 3.13Å; Q246-L250 PolarHBondContact O-N 2.93Å
247K82.3Confident68.9Low0 Ų044.5 Ų44.50%023%0.226CC..Hα-helixtrans-67.9-44.4178.3-76.8-173.5-66.3177.80112.3Y152 I155 Y156 S160 L240 E241 N243 T244 R249 L250 K251Y152-K247 HydrophobicContact CD2-CB 4.33Å; Y152-K247 HydrophobicContact CD2-CG 4.41Å; Y152-K247 HydrophobicContact CE2-CB 3.83Å; Y152-K247 HydrophobicContact CE2-CD 4.45Å; Y152-K247 HydrophobicContact CE2-CG 4.07Å; I155-K247 HydrophobicContact CG2-CD 4.39Å; I155-K247 HydrophobicContact CG2-CG 3.73Å; Y156-K247 HydrophobicContact CD2-CD 4.19Å; S160-K247 PolarHBondContact OG-NZ 3.13Å; L240-K247 PolarHBondContact O-NZ 2.79Å; E241-K247 WeakPolarHBondContact O-CB 3.46Å; N243-K247 VanDerWaalsContact OD1-CE 3.28Å; N243-K247 WeakPolarHBondContact OD1-CE 3.48Å; N243-K247 PolarHBondContact OD1-NZ 2.83Å; T244-K247 PolarHBondContact O-N 3.05Å; T244-K247 WeakPolarHBondContact OG1-CB 3.4Å; T244-K247 WeakPolarHBondContact OG1-CE 3.38Å; T244-K247 WeakPolarHBondContact OG1-CG 3.47Å; T244-K247 PolarHBondContact OG1-N 2.78Å; K247-R249 PolarHBondContact O-N 3.47Å; K247-L250 PolarHBondContact O-N 3.42Å; K247-K251 WeakPolarHBondContact O-CB 3.36Å; K247-K251 PolarHBondContact O-N 3.38Å
248A76.8Confident66.3Low1 Ų155.1 Ų55.11%0.00827%0.268CS..Hα-helixtrans-59.1-45.5178.700000111.9T244 K251 A252 A303 A304T244-A248 PolarHBondContact O-N 2.95Å; A248-K251 PolarHBondContact O-N 2.89Å; A248-A252 WeakPolarHBondContact O-CB 3.39Å; A248-A252 PolarHBondContact O-N 3.28Å; A248-A303 HydrophobicContact CB-CB 4.29Å; A248-A304 HydrophobicContact CB-CB 3.93Å
249R72Confident63.9Low81 Ų8156 Ų5631%0.30628%0.275SS..Hα-helixtrans-64.7-42.5178.1-74.7177.9174.3174.1-1.7113.5L245 K247 A252 G264L245-R249 HydrophobicContact CD1-CG 4.18Å; L245-R249 HydrophobicContact CG-CG 4.44Å; L245-R249 WeakPolarHBondContact O-CB 3.45Å; L245-R249 VanDerWaalsContact O-CG 3.27Å; L245-R249 WeakPolarHBondContact O-CG 3.35Å; L245-R249 PolarHBondContact O-N 2.92Å; K247-R249 PolarHBondContact O-N 3.47Å; R249-A252 PolarHBondContact O-N 3.36Å; R249-G264 WeakPolarHBondContact O-CA 3.48Å
250L70Confident61.4Low26 Ų2655.7 Ų55.714%0.13629%0.287CS..Hα-helixtrans-65.8-40.7179.3-72.7173.7000111.7V151 Y152 I155 Q246 K247 G253 A254V151-L250 HydrophobicContact CG1-CD1 4.11Å; V151-L250 HydrophobicContact CG1-CD2 4.49Å; Y152-L250 HydrophobicContact CD2-CB 4.19Å; I155-L250 HydrophobicContact CD1-CD1 3.36Å; Q246-L250 HydrophobicContact CG-CD1 4.4Å; Q246-L250 VanDerWaalsContact O-CG 3.28Å; Q246-L250 WeakPolarHBondContact O-CG 3.13Å; Q246-L250 PolarHBondContact O-N 2.93Å; K247-L250 PolarHBondContact O-N 3.42Å; L250-G253 PolarHBondContact O-N 2.69Å; L250-A254 HydrophobicContact CD2-CB 3.89Å; L250-A254 PolarHBondContact O-N 3Å
251K69.6Low58.7Low26 Ų2661.8 Ų61.811%0.11332%0.319CS..Hα-helixtrans-75.6-25.6-179.2-163.8157.6174-175.10113.3C145 Y152 E241 Y242 K247 A248 G253C145-K251 HydrophobicContact CB-CG 4.13Å; C145-K251 WeakPolarHBondContact O-CE 3.49Å; C145-K251 WeakPolarHBondContact O-CG 2.95Å; Y152-K251 HydrophobicContact CD2-CB 4.09Å; Y152-K251 HydrophobicContact CE1-CD 4.39Å; Y152-K251 HydrophobicContact CE2-CB 3.94Å; Y152-K251 HydrophobicContact CE2-CD 3.78Å; Y152-K251 HydrophobicContact CE2-CG 4.42Å; E241-K251 IonicContact OE1-NZ 2.64Å; E241-K251 IonicContact OE2-NZ 3.51Å; E241-K251 PolarHBondContact OE2-NZ 3.33Å; Y242-K251 HydrophobicContact CD1-CD 4.21Å; Y242-K251 HydrophobicContact CE1-CB 4.04Å; Y242-K251 HydrophobicContact CE1-CD 3.41Å; Y242-K251 VanDerWaalsContact CE1-CD 3.41Å; Y242-K251 HydrophobicContact CE1-CG 3.79Å; Y242-K251 WeakPolarHBondContact OH-CE 3.49Å; K247-K251 WeakPolarHBondContact O-CB 3.36Å; K247-K251 PolarHBondContact O-N 3.38Å; A248-K251 PolarHBondContact O-N 2.89Å; K251-G253 PolarHBondContact O-N 3.35Å
252A56.2Low56Low15 Ų1566.4 Ų66.412%0.12434%0.343CS..THydrogen-bonded Turntrans-722.7165.800000113.6A248 R249 G264 Y265 L266 A304A248-A252 WeakPolarHBondContact O-CB 3.39Å; A248-A252 PolarHBondContact O-N 3.28Å; R249-A252 PolarHBondContact O-N 3.36Å; A252-G264 CarbonylContact O-C 3.49Å; A252-Y265 PolarHBondContact O-N 2.04Å; A252-L266 PolarHBondContact O-N 3.48Å; A252-A304 HydrophobicContact CB-CB 4.49Å
253G46.3Very low53.9Low13 Ų1367.6 Ų67.613%0.13435%0.35CS..THydrogen-bonded Turntrans116.132.315700000117.3L250 K251 K255 Y265L250-G253 PolarHBondContact O-N 2.69Å; K251-G253 PolarHBondContact O-N 3.35Å; G253-K255 PolarHBondContact O-N 3.17Å; G253-K255 VanDerWaalsContact O-N 3.11Å; G253-Y265 WeakPolarHBondContact O-CB 3.46Å
254A36.7Very low52.9Low22 Ų2265.1 Ų65.118%0.18234%0.337CS..  trans-66.8114.3178.800000112.2L250L250-A254 HydrophobicContact CD2-CB 3.89Å; L250-A254 PolarHBondContact O-N 3Å
255K38.8Very low52.4Low176 Ų17668.8 Ų68.877%0.76535%0.347SS*.  trans-85.9-6.8176.6-164.7170-179.9176.70113.8G253G253-K255 PolarHBondContact O-N 3.17Å; G253-K255 VanDerWaalsContact O-N 3.11Å
256S31.5Very low52.7Low59 Ų5965.7 Ų65.741%0.41333%0.331SS..  trans-142135.1179-174.10000112.5Y258 S259S256-Y258 PolarHBondContact O-N 3.1Å; S256-Y258 PolarHBondContact OG-N 3.4Å; S256-S259 PolarHBondContact O-N 2.88Å
257I36.5Very low52.8Low121 Ų12161.6 Ų61.662%0.62131%0.312SS*.G310 helixtrans-55-33171.4-82.1166.7000111.3V151 S259V151-I257 HydrophobicContact CG2-CD1 4.04Å; V151-I257 HydrophobicContact CG2-CG1 4.24Å; I257-S259 VanDerWaalsContact C-N 3.32Å; I257-S259 PolarHBondContact O-N 3.19Å
258Y35.8Very low52.6Low223 Ų22362.8 Ų62.888%0.87532%0.324SS*.G310 helixtrans-81.3-7.2-179.6-66.6-73000114.1S256S256-Y258 PolarHBondContact O-N 3.1Å; S256-Y258 PolarHBondContact OG-N 3.4Å
259S32.7Very low53Low37 Ų3763.9 Ų63.926%0.25933%0.331SS..G310 helixtrans-108.123.3175.597.30000113.3S256 I257 L261 L262S256-S259 PolarHBondContact O-N 2.88Å; I257-S259 VanDerWaalsContact C-N 3.32Å; I257-S259 PolarHBondContact O-N 3.19Å; S259-L261 PolarHBondContact O-N 2.79Å; S259-L262 PolarHBondContact O-N 3.27Å
260A32.8Very low53.7Low62 Ų6260.1 Ų60.151%0.51232%0.317SS..THydrogen-bonded Turntrans-56.5-14.9174.500000113.6
261L30.8Very low54.4Low143 Ų14361.1 Ų61.175%0.74932%0.322SS*.THydrogen-bonded Turntrans-81.7-18.6173.1-123105.6000114.5S259S259-L261 PolarHBondContact O-N 2.79Å
262L27.6Very low55.1Low117 Ų11763.5 Ų63.561%0.61334%0.336SS*.SBendtrans-95.4107.6178.3-76.1154.9000107.6S259 G264S259-L262 PolarHBondContact O-N 3.27Å; L262-G264 PolarHBondContact O-N 2.86Å
263L37.7Very low56.7Low38 Ų3863.3 Ų63.320%0.19933%0.333CS..  trans-21.8124.2164.6-68.567.9000110.1I267 G268 L271L263-I267 HydrophobicContact CB-CB 3.72Å; L263-I267 HydrophobicContact CB-CD1 4.36Å; L263-I267 HydrophobicContact CB-CG2 3.54Å; L263-I267 HydrophobicContact CD2-CB 4.42Å; L263-I267 HydrophobicContact CD2-CG2 3.33Å; L263-I267 HydrophobicContact CG-CG2 4.02Å; L263-G268 PolarHBondContact O-N 3.01Å; L263-L271 HydrophobicContact CD2-CD1 3.53Å; L263-L271 HydrophobicContact CD2-CG 4.38Å; L263-L271 HydrophobicContact CG-CD1 4.49Å
264G59.8Low58.6Low1 Ų163.2 Ų63.21%0.0133%0.329CS..THydrogen-bonded Turntrans-40.7145.2-16700000113.4R249 A252 L262 L266 I267 G268R249-G264 WeakPolarHBondContact O-CA 3.48Å; A252-G264 CarbonylContact O-C 3.49Å; L262-G264 PolarHBondContact O-N 2.86Å; G264-L266 CarbonylContact O-C 3.58Å; G264-L266 PolarHBondContact O-N 2.98Å; G264-I267 WeakPolarHBondContact O-CA 3.03Å; G264-I267 WeakPolarHBondContact O-CB 3.49Å; G264-I267 PolarHBondContact O-N 2.61Å; G264-G268 PolarHBondContact O-N 2.91Å
265Y72Confident60.9Low119 Ų11964.9 Ų64.947%0.46733%0.333SS..Hα-helixtrans-41-33.2-167.2-179.3-122.6000116.3L142 A252 G253 T269L142-Y265 HydrophobicContact CB-CD1 3.9Å; L142-Y265 HydrophobicContact CB-CE1 3.67Å; L142-Y265 HydrophobicContact CD1-CD1 3.57Å; L142-Y265 HydrophobicContact CD1-CE1 3.73Å; L142-Y265 HydrophobicContact CD1-CG 4.2Å; L142-Y265 HydrophobicContact CG-CD1 4.36Å; L142-Y265 HydrophobicContact CG-CE1 4.27Å; A252-Y265 PolarHBondContact O-N 2.04Å; G253-Y265 WeakPolarHBondContact O-CB 3.46Å; Y265-T269 VanDerWaalsContact O-CB 3.29Å; Y265-T269 WeakPolarHBondContact O-CB 3.47Å; Y265-T269 PolarHBondContact O-N 3.26Å; Y265-T269 PolarHBondContact O-OG1 3.14Å
266L81.7Confident63.1Low8 Ų860.8 Ų60.84%0.04232%0.318CS..Hα-helixtrans-61.6-54.8168.8-175.557.8000113.8L31 L142 L143 A252 G264 G268 T269 I270 L301L31-L266 HydrophobicContact CD2-CD1 3.77Å; L31-L266 HydrophobicContact CD2-CD2 3.61Å; L31-L266 HydrophobicContact CD2-CG 3.91Å; L142-L266 HydrophobicContact CD1-CB 4.3Å; L142-L266 HydrophobicContact CD1-CD1 3.98Å; L142-L266 HydrophobicContact CG-CD1 4.18Å; L143-L266 HydrophobicContact CD2-CD1 4.09Å; A252-L266 PolarHBondContact O-N 3.48Å; G264-L266 CarbonylContact O-C 3.58Å; G264-L266 PolarHBondContact O-N 2.98Å; L266-G268 VanDerWaalsContact C-N 3.34Å; L266-T269 WeakPolarHBondContact O-CB 3.21Å; L266-T269 PolarHBondContact O-N 2.95Å; L266-I270 HydrophobicContact CG-CD1 4.44Å; L266-I270 WeakPolarHBondContact O-CG1 3.26Å; L266-I270 PolarHBondContact O-N 3Å; L266-L301 HydrophobicContact CD2-CD2 4.36Å
267I80.3Confident65.6Low6 Ų659.3 Ų59.33%0.03130%0.304CS..Hα-helixtrans-62.8-42.1175.5-53.1170.4000110.8L263 G264 T269 I270 L271 L301 A304 L305L263-I267 HydrophobicContact CB-CB 3.72Å; L263-I267 HydrophobicContact CB-CD1 4.36Å; L263-I267 HydrophobicContact CB-CG2 3.54Å; L263-I267 HydrophobicContact CD2-CB 4.42Å; L263-I267 HydrophobicContact CD2-CG2 3.33Å; L263-I267 HydrophobicContact CG-CG2 4.02Å; G264-I267 WeakPolarHBondContact O-CA 3.03Å; G264-I267 WeakPolarHBondContact O-CB 3.49Å; G264-I267 PolarHBondContact O-N 2.61Å; I267-T269 PolarHBondContact O-N 3.44Å; I267-I270 WeakPolarHBondContact O-CB 3.32Å; I267-I270 PolarHBondContact O-N 2.7Å; I267-I270 VanDerWaalsContact O-N 3.13Å; I267-L271 HydrophobicContact CG2-CG 4.49Å; I267-L271 PolarHBondContact O-N 2.98Å; I267-L301 HydrophobicContact CD1-CD1 3.92Å; I267-L301 HydrophobicContact CG1-CD1 3.39Å; I267-A304 HydrophobicContact CD1-CB 3.79Å; I267-L305 HydrophobicContact CD1-CD2 4.13Å; I267-L305 HydrophobicContact CD1-CG 4.47Å; I267-L305 HydrophobicContact CG2-CD2 4.38Å
268G78.8Confident67.9Low24 Ų2456 Ų5625%0.24729%0.287CS..Hα-helixtrans-58-38.3174.200000112.4L263 G264 L266 N272L263-G268 PolarHBondContact O-N 3.01Å; G264-G268 PolarHBondContact O-N 2.91Å; L266-G268 VanDerWaalsContact C-N 3.34Å; G268-N272 VanDerWaalsContact O-CB 3.26Å; G268-N272 WeakPolarHBondContact O-CB 3.26Å; G268-N272 PolarHBondContact O-N 3.03Å
269T85.4Confident70.1Confident25 Ų2551.5 Ų51.515%0.15327%0.272CS..Hα-helixtrans-66.3-43.7174.1-61.20000111.5L142 Y265 L266 I267 L271 N272 N273L142-T269 HydrophobicContact CD1-CG2 4.37Å; L142-T269 WeakPolarHBondContact CD1-OG1 3.34Å; Y265-T269 VanDerWaalsContact O-CB 3.29Å; Y265-T269 WeakPolarHBondContact O-CB 3.47Å; Y265-T269 PolarHBondContact O-N 3.26Å; Y265-T269 PolarHBondContact O-OG1 3.14Å; L266-T269 WeakPolarHBondContact O-CB 3.21Å; L266-T269 PolarHBondContact O-N 2.95Å; I267-T269 PolarHBondContact O-N 3.44Å; T269-L271 PolarHBondContact O-N 2.94Å; T269-N272 PolarHBondContact O-N 3.06Å; T269-N273 WeakPolarHBondContact O-CB 3.45Å; T269-N273 PolarHBondContact O-N 3.12Å; T269-N273 PolarHBondContact O-ND2 3.3Å
270I86.3Confident72Confident2 Ų253.5 Ų53.51%0.0128%0.28CS..Hα-helixtrans-59-47176.9-67.7166.2000110.9Q29 L31 L266 I267 N273 M274 F320Q29-I270 PolarHBondContact NE2-O 2.76Å; L31-I270 HydrophobicContact CD1-CD1 3.79Å; L31-I270 HydrophobicContact CD1-CG1 4.48Å; L31-I270 HydrophobicContact CD2-CD1 4.34Å; L266-I270 HydrophobicContact CG-CD1 4.44Å; L266-I270 WeakPolarHBondContact O-CG1 3.26Å; L266-I270 PolarHBondContact O-N 3Å; I267-I270 WeakPolarHBondContact O-CB 3.32Å; I267-I270 PolarHBondContact O-N 2.7Å; I267-I270 VanDerWaalsContact O-N 3.13Å; I270-N273 PolarHBondContact O-N 2.6Å; I270-M274 HydrophobicContact CG2-CE 3.71Å; I270-M274 WeakPolarHBondContact O-CG 3.12Å; I270-M274 PolarHBondContact O-N 3.07Å; I270-F320 HydrophobicContact CD1-CD2 4.3Å; I270-F320 HydrophobicContact CD1-CE2 3.84Å; I270-F320 HydrophobicContact CD1-CZ 3.95Å; I270-F320 HydrophobicContact CG2-CB 4.5Å; I270-F320 HydrophobicContact CG2-CD1 3.95Å; I270-F320 HydrophobicContact CG2-CD2 4.44Å; I270-F320 HydrophobicContact CG2-CE1 4.25Å; I270-F320 HydrophobicContact CG2-CG 4.05Å
271L84.2Confident73.4Confident46 Ų4655.3 Ų55.324%0.24130%0.295CS..Hα-helixtrans-65.5-43.6177.3-69.5-172.8000112.1L263 I267 T269 N273 M274 E275 I365L263-L271 HydrophobicContact CD2-CD1 3.53Å; L263-L271 HydrophobicContact CD2-CG 4.38Å; L263-L271 HydrophobicContact CG-CD1 4.49Å; I267-L271 HydrophobicContact CG2-CG 4.49Å; I267-L271 PolarHBondContact O-N 2.98Å; T269-L271 PolarHBondContact O-N 2.94Å; L271-N273 VanDerWaalsContact C-N 3.29Å; L271-N273 PolarHBondContact O-N 2.82Å; L271-M274 HydrophobicContact CD2-SD 4.24Å; L271-M274 WeakPolarHBondContact O-CB 3.48Å; L271-M274 PolarHBondContact O-N 3.4Å; L271-M274 VanDerWaalsContact O-N 3.1Å; L271-E275 PolarHBondContact O-N 2.72Å; L271-I365 HydrophobicContact CD2-CG2 4.3Å
272N84.9Confident74.8Confident76 Ų7650.4 Ų50.441%0.40628%0.275SS..Hα-helixtrans-62.2-37.3177.5-179.970.3000111.8G268 T269 M274 E275 M276G268-N272 VanDerWaalsContact O-CB 3.26Å; G268-N272 WeakPolarHBondContact O-CB 3.26Å; G268-N272 PolarHBondContact O-N 3.03Å; T269-N272 PolarHBondContact O-N 3.06Å; N272-M274 VanDerWaalsContact C-N 3.33Å; N272-M274 PolarHBondContact O-N 3.44Å; N272-E275 PolarHBondContact O-N 3.15Å; N272-M276 VanDerWaalsContact ND2-CE 3.35Å; N272-M276 WeakPolarHBondContact ND2-CE 3.21Å; N272-M276 WeakPolarHBondContact O-CB 3.28Å; N272-M276 VanDerWaalsContact O-CG 3.27Å; N272-M276 WeakPolarHBondContact O-CG 3.4Å; N272-M276 PolarHBondContact O-N 2.89Å
273N89.6Confident76.4Confident11 Ų1152.5 Ų52.56%0.05928%0.282CS..Hα-helixtrans-62.1-40173.5-70.5-19000111.9L27 Q29 T269 I270 L271 M276 K277 F289 Y291L27-N273 HydrophobicContact CD2-CB 4.46Å; Q29-N273 VanDerWaalsContact OE1-CB 3.3Å; Q29-N273 PolarHBondContact OE1-ND2 3.46Å; T269-N273 WeakPolarHBondContact O-CB 3.45Å; T269-N273 PolarHBondContact O-N 3.12Å; T269-N273 PolarHBondContact O-ND2 3.3Å; I270-N273 PolarHBondContact O-N 2.6Å; L271-N273 VanDerWaalsContact C-N 3.29Å; L271-N273 PolarHBondContact O-N 2.82Å; N273-M276 WeakPolarHBondContact OD1-CE 3.03Å; N273-K277 WeakPolarHBondContact O-CB 3.48Å; N273-K277 PolarHBondContact O-N 3.39Å; N273-K277 VanDerWaalsContact O-N 3.08Å; N273-F289 HydrophobicContact CB-CD2 4.44Å; N273-F289 HydrophobicContact CB-CE2 4.01Å; N273-F289 HydrophobicContact CB-CZ 4.23Å; N273-Y291 PolarHBondContact ND2-OH 2.96Å
274M86.9Confident77.5Confident11 Ų1155 Ų555%0.05430%0.299CS..Hα-helixtrans-65-48.8174.1-64.3170.2-178.800111L27 I270 L271 N272 M276 K277 L278 F320 L322 V331L27-M274 HydrophobicContact CD2-CB 4.45Å; L27-M274 HydrophobicContact CD2-CG 4Å; I270-M274 HydrophobicContact CG2-CE 3.71Å; I270-M274 WeakPolarHBondContact O-CG 3.12Å; I270-M274 PolarHBondContact O-N 3.07Å; L271-M274 HydrophobicContact CD2-SD 4.24Å; L271-M274 WeakPolarHBondContact O-CB 3.48Å; L271-M274 PolarHBondContact O-N 3.4Å; L271-M274 VanDerWaalsContact O-N 3.1Å; N272-M274 VanDerWaalsContact C-N 3.33Å; N272-M274 PolarHBondContact O-N 3.44Å; M274-M276 VanDerWaalsContact C-N 3.34Å; M274-M276 PolarHBondContact O-N 2.89Å; M274-K277 WeakPolarHBondContact O-CB 3.16Å; M274-K277 PolarHBondContact O-N 3.47Å; M274-L278 WeakPolarHBondContact O-CG 3.5Å; M274-L278 PolarHBondContact O-N 2.76Å; M274-F320 HydrophobicContact CE-CB 3.8Å; M274-F320 HydrophobicContact CE-CD1 4.13Å; M274-F320 HydrophobicContact CE-CG 4.35Å; M274-L322 HydrophobicContact CB-CD2 4.12Å; M274-L322 HydrophobicContact CG-CD2 4.27Å; M274-V331 HydrophobicContact CE-CG1 3.73Å; M274-V331 HydrophobicContact CE-CG2 4.25Å; M274-V331 HydrophobicContact SD-CG1 4.39Å; M274-V331 HydrophobicContact SD-CG2 3.91Å
275E84.1Confident78.4Confident58 Ų5855.6 Ų55.627%0.27130%0.303SS..Hα-helixtrans-59.7-43.8179.5-172.9-177.4178.100111.9L271 N272 K277 L278 K279L271-E275 PolarHBondContact O-N 2.72Å; N272-E275 PolarHBondContact O-N 3.15Å; E275-K277 VanDerWaalsContact C-N 3.3Å; E275-K277 PolarHBondContact O-N 2.87Å; E275-L278 PolarHBondContact O-N 3.08Å; E275-K279 HydrophobicContact CG-CD 4.29Å; E275-K279 WeakPolarHBondContact O-CG 3.39Å; E275-K279 PolarHBondContact O-N 2.86Å; E275-K279 WeakPolarHBondContact OE1-CE 3.41Å; E275-K279 IonicContact OE1-NZ 3.28Å; E275-K279 PolarHBondContact OE1-NZ 3.38Å
276M84.7Confident79.2Confident89 Ų8954.2 Ų54.244%0.43830%0.297SS..Hα-helixtrans-62.4-37.2174.9-73.5-170.6-58.500112N272 N273 M274 N280N272-M276 VanDerWaalsContact ND2-CE 3.35Å; N272-M276 WeakPolarHBondContact ND2-CE 3.21Å; N272-M276 WeakPolarHBondContact O-CB 3.28Å; N272-M276 VanDerWaalsContact O-CG 3.27Å; N272-M276 WeakPolarHBondContact O-CG 3.4Å; N272-M276 PolarHBondContact O-N 2.89Å; N273-M276 WeakPolarHBondContact OD1-CE 3.03Å; M274-M276 VanDerWaalsContact C-N 3.34Å; M274-M276 PolarHBondContact O-N 2.89Å; M276-N280 WeakPolarHBondContact O-CB 3.18Å; M276-N280 PolarHBondContact O-N 3.01Å
277K86Confident79.8Confident28 Ų2855.4 Ų55.412%0.12230%0.301CS..Hα-helixtrans-64.9-42.5176.2-172.570.4179-171.80111.8M26 L27 N273 M274 E275 N280 S285 R286 L322M26-K277 HydrophobicContact CG-CG 4.42Å; M26-K277 WeakPolarHBondContact O-CE 3.37Å; M26-K277 HydrophobicContact SD-CG 4.12Å; L27-K277 HydrophobicContact CB-CD 4.41Å; L27-K277 HydrophobicContact CB-CG 4.03Å; L27-K277 HydrophobicContact CD2-CB 4.08Å; L27-K277 HydrophobicContact CD2-CG 4.47Å; N273-K277 WeakPolarHBondContact O-CB 3.48Å; N273-K277 PolarHBondContact O-N 3.39Å; N273-K277 VanDerWaalsContact O-N 3.08Å; M274-K277 WeakPolarHBondContact O-CB 3.16Å; M274-K277 PolarHBondContact O-N 3.47Å; E275-K277 VanDerWaalsContact C-N 3.3Å; E275-K277 PolarHBondContact O-N 2.87Å; K277-N280 CarbonylContact O-C 3.45Å; K277-S285 VanDerWaalsContact CD-OG 3.31Å; K277-S285 WeakPolarHBondContact CD-OG 3.41Å; K277-S285 WeakPolarHBondContact CE-OG 3.42Å; K277-S285 PolarHBondContact NZ-O 3.13Å; K277-S285 PolarHBondContact NZ-OG 2.67Å; K277-R286 PolarHBondContact NZ-O 3.01Å; K277-R286 VanDerWaalsContact NZ-O 3.1Å; K277-L322 HydrophobicContact CB-CD2 4.36Å; K277-L322 HydrophobicContact CG-CD2 4.38Å
278L84.6Confident80.6Confident52 Ų5255.1 Ų55.127%0.27230%0.3SS..Hα-helixtrans-67.8-39.4179-64.6178.6000112.3M26 M274 E275 L322 H329M26-L278 HydrophobicContact SD-CD2 4.01Å; M274-L278 WeakPolarHBondContact O-CG 3.5Å; M274-L278 PolarHBondContact O-N 2.76Å; E275-L278 PolarHBondContact O-N 3.08Å; L278-L322 HydrophobicContact CD2-CD2 4.13Å; L278-L322 HydrophobicContact CG-CD2 4.34Å; L278-H329 HydrophobicContact CD2-CB 4.48Å; L278-H329 WeakPolarHBondContact CD2-CD2 3.28Å; L278-H329 VanDerWaalsContact CD2-NE2 3.32Å; L278-H329 WeakPolarHBondContact CD2-NE2 3.48Å
279K81.7Confident81.5Confident128 Ų12854.9 Ų54.956%0.55729%0.292SS*.Hα-helixtrans-72.9-38.4177.3-71.7178.9-175.8173.10112.5E275 A281E275-K279 HydrophobicContact CG-CD 4.29Å; E275-K279 WeakPolarHBondContact O-CG 3.39Å; E275-K279 PolarHBondContact O-N 2.86Å; E275-K279 WeakPolarHBondContact OE1-CE 3.41Å; E275-K279 IonicContact OE1-NZ 3.28Å; E275-K279 PolarHBondContact OE1-NZ 3.38Å; K279-A281 PolarHBondContact O-N 2.92Å
280N71.9Confident82.1Confident79 Ų7953.7 Ų53.742%0.42229%0.285SS..  trans-95.480.6-177.3-161.32000110M276 K277 A282M276-N280 WeakPolarHBondContact O-CB 3.18Å; M276-N280 PolarHBondContact O-N 3.01Å; K277-N280 CarbonylContact O-C 3.45Å; N280-A282 PolarHBondContact O-N 3.34Å; N280-A282 WeakPolarHBondContact OD1-CB 3.18Å; N280-A282 PolarHBondContact OD1-N 3.26Å
281A62.3Low82.6Confident100 Ų10053.8 Ų53.883%0.82629%0.285SS*.  trans-61.1-6.2174.600000113.4K279 E283K279-A281 PolarHBondContact O-N 2.92Å; A281-E283 PolarHBondContact O-N 3.13Å
282A60.6Low83.2Confident41 Ų4151.6 Ų51.634%0.33927%0.274SS..SBendtrans-63.9134.2174.500000111.3N280 T284 S285N280-A282 PolarHBondContact O-N 3.34Å; N280-A282 WeakPolarHBondContact OD1-CB 3.18Å; N280-A282 PolarHBondContact OD1-N 3.26Å; A282-T284 PolarHBondContact O-N 2.88Å; A282-S285 PolarHBondContact O-N 3.45Å; A282-S285 PolarHBondContact O-OG 3.45Å
283E60.9Low83.5Confident161 Ų16148 Ų4875%0.75225%0.254SS*.THydrogen-bonded Turntrans-44.9-24.1166.1-79.4-92156.300113.8A281 S285A281-E283 PolarHBondContact O-N 3.13Å; E283-S285 VanDerWaalsContact C-N 3.35Å; E283-S285 PolarHBondContact O-N 2.93Å
284T60.8Low83.4Confident90 Ų9048.3 Ų48.355%0.55226%0.255SS*.THydrogen-bonded Turntrans-84.2-2-173.8600000114.8A282A282-T284 PolarHBondContact O-N 2.88Å
285S78.2Confident83.4Confident13 Ų1350.6 Ų50.69%0.09126%0.263CS..SBendtrans-73.4145.2175.2550000111.5K277 A282 E283 K287K277-S285 VanDerWaalsContact CD-OG 3.31Å; K277-S285 WeakPolarHBondContact CD-OG 3.41Å; K277-S285 WeakPolarHBondContact CE-OG 3.42Å; K277-S285 PolarHBondContact NZ-O 3.13Å; K277-S285 PolarHBondContact NZ-OG 2.67Å; A282-S285 PolarHBondContact O-N 3.45Å; A282-S285 PolarHBondContact O-OG 3.45Å; E283-S285 VanDerWaalsContact C-N 3.35Å; E283-S285 PolarHBondContact O-N 2.93Å; S285-K287 WeakPolarHBondContact O-CG 3.33Å; S285-K287 PolarHBondContact O-N 3.46Å
286R90.2Very high83.2Confident90 Ų9048.9 Ų48.934%0.3425%0.254SS..  trans-51.4136.9176.2-68.7-73179.1-58.7-5.2110.2A91 S92 I94 K277 F289A91-R286 PolarHBondContact O-NE 3.43Å; A91-R286 PolarHBondContact O-NH1 3.27Å; A91-R286 PolarHBondContact O-NH2 3.35Å; S92-R286 VanDerWaalsContact CA-NH1 3.28Å; S92-R286 WeakPolarHBondContact O-CA 3.23Å; S92-R286 VanDerWaalsContact O-CD 3.22Å; S92-R286 WeakPolarHBondContact O-CD 3.22Å; S92-R286 PolarHBondContact O-N 3.5Å; S92-R286 PolarHBondContact O-NH1 3.13Å; I94-R286 VanDerWaalsContact C-CD 3.47Å; I94-R286 WeakPolarHBondContact O-CD 3.45Å; I94-R286 PolarHBondContact O-NE 2.88Å; I94-R286 VanDerWaalsContact O-NE 3.09Å; K277-R286 PolarHBondContact NZ-O 3.01Å; K277-R286 VanDerWaalsContact NZ-O 3.1Å; R286-F289 HydrophobicContact CB-CD2 4.35Å; R286-F289 HydrophobicContact CB-CE1 4.4Å; R286-F289 HydrophobicContact CB-CE2 3.49Å; R286-F289 VanDerWaalsContact CB-CE2 3.49Å; R286-F289 HydrophobicContact CB-CZ 3.53Å; R286-F289 HydrophobicContact CG-CE1 4.39Å; R286-F289 HydrophobicContact CG-CE2 4.32Å; R286-F289 HydrophobicContact CG-CZ 3.86Å
287K93.4Very high83.3Confident33 Ų3345 Ų4514%0.14324%0.236CC..  trans-109-28.9-177.8-56.9-177.2-174.71710110.9L27 L28 L84 V85 E93 S285L27-K287 WeakPolarHBondContact CA-O 3.24Å; L28-K287 PolarHBondContact N-O 2.8Å; L84-K287 HydrophobicContact CD1-CB 3.85Å; L84-K287 HydrophobicContact CD1-CD 4.43Å; L84-K287 HydrophobicContact CD1-CG 4.45Å; L84-K287 HydrophobicContact CG-CB 4.08Å; L84-K287 WeakPolarHBondContact O-CD 3.37Å; V85-K287 HydrophobicContact CG1-CB 4.18Å; E93-K287 HydrophobicContact CB-CD 4.43Å; E93-K287 HydrophobicContact CG-CD 4.1Å; E93-K287 WeakPolarHBondContact O-CA 3.33Å; E93-K287 PolarHBondContact O-N 3.44Å; E93-K287 IonicContact OE1-NZ 3.22Å; E93-K287 PolarHBondContact OE1-NZ 3Å; S285-K287 WeakPolarHBondContact O-CG 3.33Å; S285-K287 PolarHBondContact O-N 3.46Å
288L96.3Very high83.3Confident1 Ų143.7 Ų43.71%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-132.2127.9177.9177.257.2000111.6L28 L30 V77 V85 E93 I94 H95 L115L28-L288 HydrophobicContact CB-CD1 3.95Å; L28-L288 HydrophobicContact CD2-CD1 3.84Å; L28-L288 HydrophobicContact CG-CD1 3.79Å; L28-L288 CarbonylContact O-C 3.43Å; L28-L288 VanDerWaalsContact O-CA 3.28Å; L28-L288 WeakPolarHBondContact O-CA 3.25Å; L28-L288 WeakPolarHBondContact O-CD1 3.19Å; L30-L288 HydrophobicContact CD1-CD1 3.98Å; L30-L288 HydrophobicContact CG-CD1 4.12Å; V77-L288 HydrophobicContact CG1-CD2 4.45Å; V85-L288 HydrophobicContact CG1-CB 3.72Å; V85-L288 HydrophobicContact CG1-CD2 4.29Å; E93-L288 PolarHBondContact O-N 2.87Å; I94-L288 CarbonylContact C-O 3.52Å; I94-L288 VanDerWaalsContact CA-O 3.29Å; I94-L288 WeakPolarHBondContact CA-O 3.42Å; I94-L288 HydrophobicContact CB-CB 4.48Å; I94-L288 HydrophobicContact CD1-CD2 3.75Å; I94-L288 HydrophobicContact CD1-CG 4.21Å; I94-L288 HydrophobicContact CG1-CB 4.13Å; I94-L288 HydrophobicContact CG1-CD2 4.11Å; I94-L288 HydrophobicContact CG1-CG 4.04Å; H95-L288 PolarHBondContact N-O 2.95Å; L115-L288 HydrophobicContact CD2-CD2 3.7Å
289F97.7Very high83.2Confident18 Ų1842.1 Ų42.18%0.07922%0.223CC..EExtended strand (participates in β ladder)trans-111.4132.1163.5-67.9-98.6000109.3L27 L28 Q29 L30 H95 N273 R286 Y291L27-F289 HydrophobicContact CD1-CD2 3.7Å; L27-F289 HydrophobicContact CD1-CE2 3.76Å; L28-F289 PolarHBondContact O-N 3.22Å; Q29-F289 CarbonylContact C-O 3.56Å; Q29-F289 WeakPolarHBondContact CA-O 3.37Å; Q29-F289 HydrophobicContact CB-CB 4.33Å; Q29-F289 HydrophobicContact CG-CB 4.15Å; Q29-F289 HydrophobicContact CG-CD2 4.11Å; Q29-F289 HydrophobicContact CG-CG 4.5Å; L30-F289 PolarHBondContact N-O 2.67Å; H95-F289 HydrophobicContact CB-CD1 3.75Å; H95-F289 HydrophobicContact CB-CE1 3.9Å; H95-F289 AromaticContact CD2-CD1 3.85Å; H95-F289 CarbonylContact O-C 3.58Å; H95-F289 WeakPolarHBondContact O-CA 3.29Å; N273-F289 HydrophobicContact CB-CD2 4.44Å; N273-F289 HydrophobicContact CB-CE2 4.01Å; N273-F289 HydrophobicContact CB-CZ 4.23Å; R286-F289 HydrophobicContact CB-CD2 4.35Å; R286-F289 HydrophobicContact CB-CE1 4.4Å; R286-F289 HydrophobicContact CB-CE2 3.49Å; R286-F289 VanDerWaalsContact CB-CE2 3.49Å; R286-F289 HydrophobicContact CB-CZ 3.53Å; R286-F289 HydrophobicContact CG-CE1 4.39Å; R286-F289 HydrophobicContact CG-CE2 4.32Å; R286-F289 HydrophobicContact CG-CZ 3.86Å; F289-Y291 HydrophobicContact CB-CD2 4.37Å; F289-Y291 HydrophobicContact CB-CE2 3.65Å; F289-Y291 HydrophobicContact CD1-CE2 4.41Å; F289-Y291 WeakPolarHBondContact CD1-OH 3.46Å; F289-Y291 HydrophobicContact CG-CE2 4.38Å
290H97.7Very high83.1Confident0 Ų036.2 Ų36.20%020%0.199CC..EExtended strand (participates in β ladder)trans-124120.8173.9176.8-123.5000109.5L30 Q32 H95 V96 R97 F111 V292L30-H290 CarbonylContact O-C 3.56Å; L30-H290 WeakPolarHBondContact O-CA 3Å; Q32-H290 PolarHBondContact OE1-CE1 3.26Å; Q32-H290 PolarHBondContact OE1-NE2 3.06Å; H95-H290 PolarHBondContact O-N 2.87Å; V96-H290 CarbonylContact C-O 3.55Å; V96-H290 VanDerWaalsContact CA-O 3.32Å; V96-H290 WeakPolarHBondContact CA-O 3.5Å; V96-H290 HydrophobicContact CG1-CB 4.36Å; V96-H290 HydrophobicContact CG2-CB 4.36Å; R97-H290 PolarHBondContact N-O 2.96Å; F111-H290 AromaticContact CD1-CE1 3.33Å; F111-H290 WeakPolarHBondContact CD1-CE1 3.47Å; F111-H290 AromaticContact CD1-CG 3.92Å; F111-H290 AromaticContact CD1-ND1 3.43Å; F111-H290 WeakPolarHBondContact CD1-ND1 3.35Å; F111-H290 AromaticContact CD1-NE2 3.78Å; F111-H290 HydrophobicContact CE1-CB 4.21Å; F111-H290 AromaticContact CE1-CD2 3.96Å; F111-H290 AromaticContact CE1-CE1 3.91Å; F111-H290 AromaticContact CE1-CG 3.74Å; F111-H290 AromaticContact CE1-ND1 3.73Å; F111-H290 AromaticContact CG-CE1 3.52Å; F111-H290 AromaticContact CG-NE2 3.77Å; H290-V292 WeakPolarHBondContact CE1-CG2 3.44Å
291Y97.2Very high83.6Confident5 Ų532.5 Ų32.52%0.0218%0.179CC..EExtended strand (participates in β ladder)trans-115.3130.5178.4-60.4-80.1000109.5L30 L31 Q32 R97 L142 L143 N273 F289L30-Y291 PolarHBondContact O-N 3.16Å; L31-Y291 CarbonylContact C-O 3.42Å; L31-Y291 WeakPolarHBondContact CA-O 3.42Å; L31-Y291 HydrophobicContact CG-CD2 4.22Å; Q32-Y291 PolarHBondContact N-O 3.3Å; R97-Y291 HydrophobicContact CB-CD1 3.91Å; R97-Y291 HydrophobicContact CB-CE1 4.14Å; R97-Y291 CarbonylContact O-C 3.43Å; R97-Y291 WeakPolarHBondContact O-CA 3.41Å; L142-Y291 HydrophobicContact CD2-CE1 4.13Å; L143-Y291 HydrophobicContact CD1-CD1 4.35Å; L143-Y291 HydrophobicContact CD2-CD1 3.97Å; L143-Y291 HydrophobicContact CD2-CG 4.26Å; N273-Y291 PolarHBondContact ND2-OH 2.96Å; F289-Y291 HydrophobicContact CB-CD2 4.37Å; F289-Y291 HydrophobicContact CB-CE2 3.65Å; F289-Y291 HydrophobicContact CD1-CE2 4.41Å; F289-Y291 WeakPolarHBondContact CD1-OH 3.46Å; F289-Y291 HydrophobicContact CG-CE2 4.38Å
292V96.5Very high84.6Confident0 Ų028 Ų280%014%0.141CC..EExtended strand (participates in β ladder)trans-110.4124.2171.6-177.10000109.8Q32 R97 L99 T107 A108 H290Q32-V292 HydrophobicContact CB-CG2 4.41Å; Q32-V292 WeakPolarHBondContact O-CA 3.18Å; R97-V292 PolarHBondContact O-N 3.35Å; L99-V292 PolarHBondContact N-O 3.47Å; T107-V292 HydrophobicContact CG2-CG1 4.06Å; A108-V292 HydrophobicContact CB-CG2 3.71Å; H290-V292 WeakPolarHBondContact CE1-CG2 3.44Å
293T91.8Very high85.4Confident0 Ų027.1 Ų27.10%013%0.133CC..EExtended strand (participates in β ladder)trans-142175.3178.9-176.80000110.3Q32 A33 E34 L143 C297 L298Q32-T293 PolarHBondContact O-N 2.85Å; Q32-T293 VanDerWaalsContact O-N 3.07Å; A33-T293 CarbonylContact C-O 3.59Å; A33-T293 WeakPolarHBondContact CA-O 3.26Å; E34-T293 PolarHBondContact N-O 3.29Å; L143-T293 PolarHBondContact O-OG1 3.11Å; T293-C297 HydrophobicContact CG2-CB 4Å; T293-C297 WeakPolarHBondContact OG1-CB 3.12Å; T293-C297 PolarHBondContact OG1-SG 2.91Å; T293-C297 VanDerWaalsContact OG1-SG 3.36Å; T293-L298 HydrophobicContact CG2-CD2 3.52Å; T293-L298 HydrophobicContact CG2-CG 4.06Å
294E87.1Confident86.1Confident17 Ų1719.9 Ų19.98%0.07910%0.101CC..  trans-68.7145176.8-55.4-172.6130.600111.6L99 K101 R146 R296 C297L99-E294 HydrophobicContact CD1-CG 3.62Å; K101-E294 IonicContact NZ-OE1 3.9Å; K101-E294 PolarHBondContact NZ-OE1 3.06Å; R146-E294 IonicContact CZ-OE1 3.56Å; R146-E294 IonicContact CZ-OE2 2.59Å; R146-E294 VanDerWaalsContact CZ-OE2 3.31Å; R146-E294 IonicContact NE-OE2 2.62Å; R146-E294 IonicContact NH1-OE1 3.63Å; R146-E294 PolarHBondContact NH1-OE1 3.48Å; R146-E294 IonicContact NH1-OE2 2.71Å; R146-E294 PolarHBondContact NH1-OE2 3.36Å; E294-R296 HydrophobicContact CB-CG 3.97Å; E294-R296 PolarHBondContact O-N 2.96Å; E294-R296 WeakPolarHBondContact OE2-CD 3.44Å; E294-C297 WeakPolarHBondContact O-CB 3.42Å; E294-C297 PolarHBondContact O-N 3.49Å
295R87.1Confident86.8Confident59 Ų5916.4 Ų16.422%0.2238%0.079CC..Hα-helixtrans-38.8-49.3172.2176.3-179.9175.581.34.8113.5A33 C297 L298 V299 P312 Q314 F316A33-R295 HydrophobicContact CB-CB 4.18Å; R295-C297 PolarHBondContact O-N 2.9Å; R295-L298 WeakPolarHBondContact O-CB 3.25Å; R295-L298 PolarHBondContact O-N 3.07Å; R295-L298 VanDerWaalsContact O-N 3.16Å; R295-V299 WeakPolarHBondContact O-CG2 3.49Å; R295-V299 PolarHBondContact O-N 3.46Å; R295-P312 PolarHBondContact NH1-O 2.86Å; R295-P312 PolarHBondContact NH2-O 2.88Å; R295-Q314 PolarHBondContact NH1-O 2.98Å; R295-F316 HydrophobicContact CG-CE1 3.91Å
296R80.9Confident86.5Confident22 Ų2219.9 Ų19.98%0.08310%0.096CC..Hα-helixtrans-63.7-26.8-177.569.9-179.2-55162.72.9114Q195 E241 Y242 E294 L298 G300Q195-R296 VanDerWaalsContact CD-NH1 3.28Å; Q195-R296 VanDerWaalsContact OE1-NH2 3.16Å; E241-R296 IonicContact OE1-CZ 2.9Å; E241-R296 IonicContact OE1-NH2 2.67Å; E241-R296 PolarHBondContact OE1-NH2 2.88Å; E241-R296 IonicContact OE2-CZ 2.63Å; E241-R296 IonicContact OE2-NE 3.96Å; E241-R296 IonicContact OE2-NH2 3.81Å; E241-R296 PolarHBondContact OE2-NH2 3.28Å; Y242-R296 WeakPolarHBondContact CE2-O 3.44Å; Y242-R296 PolarHBondContact OH-O 3.41Å; E294-R296 HydrophobicContact CB-CG 3.97Å; E294-R296 PolarHBondContact O-N 2.96Å; E294-R296 WeakPolarHBondContact OE2-CD 3.44Å; R296-L298 VanDerWaalsContact C-N 3.35Å; R296-G300 PolarHBondContact O-N 2.86Å; R296-G300 VanDerWaalsContact O-N 3.13Å
297C85.8Confident85.6Confident8 Ų816 Ų165%0.0548%0.083CC..Hα-helixtrans-74.5-33.8178.9-55.40000109.7C145 T293 E294 R295 G300 L301C145-C297 HydrophobicContact CB-CB 3.66Å; C145-C297 WeakPolarHBondContact CB-SG 3.39Å; C145-C297 PolarHBondContact N-SG 3.35Å; C145-C297 WeakPolarHBondContact SG-CA 3.29Å; C145-C297 WeakPolarHBondContact SG-CB 3.38Å; C145-C297 CovalentContact SG-SG 2.04Å; C145-C297 PolarHBondContact SG-SG 2.67Å; T293-C297 HydrophobicContact CG2-CB 4Å; T293-C297 WeakPolarHBondContact OG1-CB 3.12Å; T293-C297 PolarHBondContact OG1-SG 2.91Å; T293-C297 VanDerWaalsContact OG1-SG 3.36Å; E294-C297 WeakPolarHBondContact O-CB 3.42Å; E294-C297 PolarHBondContact O-N 3.49Å; R295-C297 PolarHBondContact O-N 2.9Å; C297-G300 PolarHBondContact O-N 3.13Å; C297-L301 PolarHBondContact O-N 2.74Å
298L87Confident84.5Confident0 Ų016.9 Ų16.90%09%0.093CC..Hα-helixtrans-68.6-36.6172-58.5-166.5000112.7L31 A33 T293 R295 R296 G300 L301 L302 F316 I318L31-L298 HydrophobicContact CB-CD2 3.64Å; L31-L298 HydrophobicContact CD2-CD2 4.22Å; L31-L298 VanDerWaalsContact O-CD1 3.31Å; L31-L298 WeakPolarHBondContact O-CD1 3.49Å; A33-L298 HydrophobicContact CB-CD1 3.95Å; T293-L298 HydrophobicContact CG2-CD2 3.52Å; T293-L298 HydrophobicContact CG2-CG 4.06Å; R295-L298 WeakPolarHBondContact O-CB 3.25Å; R295-L298 PolarHBondContact O-N 3.07Å; R295-L298 VanDerWaalsContact O-N 3.16Å; R296-L298 VanDerWaalsContact C-N 3.35Å; L298-G300 VanDerWaalsContact C-N 3.29Å; L298-G300 PolarHBondContact O-N 3.02Å; L298-L301 WeakPolarHBondContact O-CB 2.93Å; L298-L301 PolarHBondContact O-N 2.98Å; L298-L302 WeakPolarHBondContact O-CG 3.44Å; L298-L302 PolarHBondContact O-N 2.59Å; L298-F316 HydrophobicContact CB-CE2 3.74Å; L298-F316 HydrophobicContact CB-CZ 3.63Å; L298-F316 HydrophobicContact CD1-CD2 4.1Å; L298-F316 HydrophobicContact CD1-CE2 3.6Å; L298-F316 HydrophobicContact CD1-CZ 3.96Å; L298-F316 HydrophobicContact CG-CE2 4.34Å; L298-F316 HydrophobicContact CG-CZ 4.41Å; L298-I318 HydrophobicContact CB-CD1 3.85Å; L298-I318 HydrophobicContact CD1-CG1 4.48Å; L298-I318 HydrophobicContact CD2-CD1 4.41Å; L298-I318 HydrophobicContact CG-CD1 4.49Å
299V81.4Confident83.2Confident20 Ų2017.5 Ų17.512%0.12110%0.098CC..Hα-helixtrans-59.4-45170.3-177.10000110.5R295 L301 L302 A303 I311R295-V299 WeakPolarHBondContact O-CG2 3.49Å; R295-V299 PolarHBondContact O-N 3.46Å; V299-L301 VanDerWaalsContact C-N 3.3Å; V299-L301 PolarHBondContact O-N 2.61Å; V299-L302 PolarHBondContact O-N 2.85Å; V299-A303 PolarHBondContact O-N 3.08Å; V299-I311 HydrophobicContact CB-CD1 4.25Å; V299-I311 HydrophobicContact CG1-CD1 3.72Å; V299-I311 HydrophobicContact CG2-CD1 3.83Å; V299-I311 HydrophobicContact CG2-CG2 4.21Å
300G80.2Confident82.1Confident4 Ų426.4 Ų26.44%0.04113%0.131CC..Hα-helixtrans-61.6-36.5174.800000113.3Y242 R296 C297 L298 A303 A304Y242-G300 VanDerWaalsContact CD1-CA 3.47Å; Y242-G300 VanDerWaalsContact CE1-CA 3.44Å; R296-G300 PolarHBondContact O-N 2.86Å; R296-G300 VanDerWaalsContact O-N 3.13Å; C297-G300 PolarHBondContact O-N 3.13Å; L298-G300 VanDerWaalsContact C-N 3.29Å; L298-G300 PolarHBondContact O-N 3.02Å; G300-A303 PolarHBondContact O-N 3.34Å; G300-A304 VanDerWaalsContact O-CB 3.29Å; G300-A304 WeakPolarHBondContact O-CB 2.8Å; G300-A304 PolarHBondContact O-N 3.16Å
301L83.4Confident81.2Confident1 Ų128 Ų281%0.00514%0.139CC..Hα-helixtrans-63.7-48.5174.617661.1000111.7L31 L266 I267 C297 L298 V299 A303 A304 L305 I318 F320L31-L301 HydrophobicContact CD1-CD2 4.48Å; L31-L301 HydrophobicContact CD2-CD2 3.71Å; L266-L301 HydrophobicContact CD2-CD2 4.36Å; I267-L301 HydrophobicContact CD1-CD1 3.92Å; I267-L301 HydrophobicContact CG1-CD1 3.39Å; C297-L301 PolarHBondContact O-N 2.74Å; L298-L301 WeakPolarHBondContact O-CB 2.93Å; L298-L301 PolarHBondContact O-N 2.98Å; V299-L301 VanDerWaalsContact C-N 3.3Å; V299-L301 PolarHBondContact O-N 2.61Å; L301-A303 VanDerWaalsContact C-N 3.32Å; L301-A303 PolarHBondContact O-N 3.42Å; L301-A304 PolarHBondContact O-N 3.34Å; L301-A304 VanDerWaalsContact O-N 3.13Å; L301-L305 HydrophobicContact CD1-CD1 4.19Å; L301-L305 HydrophobicContact CD1-CG 4.27Å; L301-L305 HydrophobicContact CG-CD1 4.19Å; L301-L305 WeakPolarHBondContact O-CG 3.42Å; L301-L305 PolarHBondContact O-N 2.81Å; L301-I318 HydrophobicContact CD2-CD1 4.08Å; L301-I318 HydrophobicContact CG-CD1 4.48Å; L301-F320 HydrophobicContact CD2-CE2 4.31Å; L301-F320 HydrophobicContact CD2-CZ 4.35Å
302L81.3Confident80.5Confident6 Ų628.2 Ų28.23%0.03114%0.142CC..Hα-helixtrans-60-43.3176.9-67.9169.7000111.5L298 V299 A304 L305 N306 V307 A309 I311 I318 V335L298-L302 WeakPolarHBondContact O-CG 3.44Å; L298-L302 PolarHBondContact O-N 2.59Å; V299-L302 PolarHBondContact O-N 2.85Å; L302-A304 VanDerWaalsContact C-N 3.33Å; L302-A304 PolarHBondContact O-N 3.29Å; L302-L305 CarbonylContact O-C 3.55Å; L302-L305 PolarHBondContact O-N 3.04Å; L302-N306 PolarHBondContact O-N 3.25Å; L302-N306 VanDerWaalsContact O-N 3.15Å; L302-V307 HydrophobicContact CD2-CB 4.47Å; L302-V307 HydrophobicContact CD2-CG1 4.03Å; L302-V307 PolarHBondContact O-N 2.84Å; L302-A309 HydrophobicContact CD1-CB 4.32Å; L302-A309 HydrophobicContact CD2-CB 4.46Å; L302-I311 HydrophobicContact CD1-CG1 4.41Å; L302-I318 HydrophobicContact CD1-CD1 4.07Å; L302-I318 HydrophobicContact CD2-CD1 3.74Å; L302-I318 HydrophobicContact CD2-CG1 4.39Å; L302-I318 HydrophobicContact CG-CD1 3.61Å; L302-V335 HydrophobicContact CD2-CG2 4.23Å
303A78.5Confident79.5Confident21 Ų2134.3 Ų34.317%0.17417%0.17CC..Hα-helixtrans-62.5-39.3174.600000112.3A248 V299 G300 L301 L305 N306A248-A303 HydrophobicContact CB-CB 4.29Å; V299-A303 PolarHBondContact O-N 3.08Å; G300-A303 PolarHBondContact O-N 3.34Å; L301-A303 VanDerWaalsContact C-N 3.32Å; L301-A303 PolarHBondContact O-N 3.42Å; A303-L305 VanDerWaalsContact C-N 3.32Å; A303-L305 PolarHBondContact O-N 3.04Å; A303-N306 PolarHBondContact O-N 3Å
304A75.3Confident78.9Confident9 Ų935.6 Ų35.67%0.07418%0.176CC..Hα-helixtrans-69.3-29.4177.400000113.1A248 A252 I267 G300 L301 L302A248-A304 HydrophobicContact CB-CB 3.93Å; A252-A304 HydrophobicContact CB-CB 4.49Å; I267-A304 HydrophobicContact CD1-CB 3.79Å; G300-A304 VanDerWaalsContact O-CB 3.29Å; G300-A304 WeakPolarHBondContact O-CB 2.8Å; G300-A304 PolarHBondContact O-N 3.16Å; L301-A304 PolarHBondContact O-N 3.34Å; L301-A304 VanDerWaalsContact O-N 3.13Å; L302-A304 VanDerWaalsContact C-N 3.33Å; L302-A304 PolarHBondContact O-N 3.29Å
305L75.1Confident78.8Confident18 Ų1835.4 Ų35.49%0.09418%0.175CC..THydrogen-bonded Turntrans-78.4-4.4170.5-66.2172.3000112.8I267 L301 L302 A303 V307 F320 I333I267-L305 HydrophobicContact CD1-CD2 4.13Å; I267-L305 HydrophobicContact CD1-CG 4.47Å; I267-L305 HydrophobicContact CG2-CD2 4.38Å; L301-L305 HydrophobicContact CD1-CD1 4.19Å; L301-L305 HydrophobicContact CD1-CG 4.27Å; L301-L305 HydrophobicContact CG-CD1 4.19Å; L301-L305 WeakPolarHBondContact O-CG 3.42Å; L301-L305 PolarHBondContact O-N 2.81Å; L302-L305 CarbonylContact O-C 3.55Å; L302-L305 PolarHBondContact O-N 3.04Å; A303-L305 VanDerWaalsContact C-N 3.32Å; A303-L305 PolarHBondContact O-N 3.04Å; L305-V307 HydrophobicContact CB-CB 4.4Å; L305-V307 HydrophobicContact CB-CG2 3.91Å; L305-V307 PolarHBondContact O-N 2.87Å; L305-F320 HydrophobicContact CD1-CE1 4.23Å; L305-F320 HydrophobicContact CD1-CZ 3.92Å; L305-I333 HydrophobicContact CD1-CD1 4.4Å
306N72.5Confident79.1Confident85 Ų8532.6 Ų32.646%0.45517%0.165SC..THydrogen-bonded Turntrans53.842.5-173.2-164.137.8000112.5L302 A303 P349L302-N306 PolarHBondContact O-N 3.25Å; L302-N306 VanDerWaalsContact O-N 3.15Å; A303-N306 PolarHBondContact O-N 3Å; N306-P349 VanDerWaalsContact O-CD 3.24Å; N306-P349 WeakPolarHBondContact O-CD 3.46Å; N306-P349 WeakPolarHBondContact O-CG 3.38Å
307V70.4Confident79.8Confident10 Ų1031.5 Ų31.56%0.06116%0.161CC..  trans-104.9129-179.7159.10000109.1L302 L305 A309 V346 V348L302-V307 HydrophobicContact CD2-CB 4.47Å; L302-V307 HydrophobicContact CD2-CG1 4.03Å; L302-V307 PolarHBondContact O-N 2.84Å; L305-V307 HydrophobicContact CB-CB 4.4Å; L305-V307 HydrophobicContact CB-CG2 3.91Å; L305-V307 PolarHBondContact O-N 2.87Å; V307-A309 HydrophobicContact CG1-CB 3.92Å; V307-V346 HydrophobicContact CB-CG1 3.8Å; V307-V346 HydrophobicContact CG1-CB 4.12Å; V307-V346 HydrophobicContact CG1-CG1 3.16Å; V307-V346 HydrophobicContact CG1-CG2 3.86Å; V307-V346 HydrophobicContact CG2-CG1 3.29Å; V307-V348 HydrophobicContact CG2-CG2 3.94Å
308S71Confident80.2Confident51 Ų5131.1 Ų31.136%0.35716%0.158SC..  trans-84.7124.5158-171.80000109.4S524S308-S524 WeakPolarHBondContact CB-OG 3.22Å; S308-S524 PolarHBondContact OG-OG 2.72Å
309A68.6Low80.5Confident13 Ų1331.1 Ų31.111%0.10716%0.158CC..  trans-144.3145.617400000108.9L302 V307 I311 V335 V346 Q528L302-A309 HydrophobicContact CD1-CB 4.32Å; L302-A309 HydrophobicContact CD2-CB 4.46Å; V307-A309 HydrophobicContact CG1-CB 3.92Å; A309-I311 PolarHBondContact O-N 2.75Å; A309-I311 VanDerWaalsContact O-N 3.13Å; A309-V335 HydrophobicContact CB-CG2 3.97Å; A309-V346 HydrophobicContact CB-CG2 3.99Å; A309-Q528 PolarHBondContact O-OE1 3.14Å
310R75.6Confident81.1Confident206 Ų20630.6 Ų30.678%0.77715%0.154SC*.  trans-64.7115.2170-172.5-178-170.4-172.53.6108.6P312R310-P312 VanDerWaalsContact O-CD 3.27Å; R310-P312 WeakPolarHBondContact O-CD 3.25Å
311I79.3Confident81.7Confident32 Ų3230.9 Ų30.916%0.16415%0.154CC..  trans-84.8111.5178.3-48.8-178.8000107.8V299 L302 A309 F316 L525V299-I311 HydrophobicContact CB-CD1 4.25Å; V299-I311 HydrophobicContact CG1-CD1 3.72Å; V299-I311 HydrophobicContact CG2-CD1 3.83Å; V299-I311 HydrophobicContact CG2-CG2 4.21Å; L302-I311 HydrophobicContact CD1-CG1 4.41Å; A309-I311 PolarHBondContact O-N 2.75Å; A309-I311 VanDerWaalsContact O-N 3.13Å; I311-F316 HydrophobicContact CG2-CD1 4.37Å; I311-F316 HydrophobicContact CG2-CE1 3.59Å; I311-F316 HydrophobicContact CG2-CZ 3.81Å; I311-L525 HydrophobicContact CD1-CD1 4.07Å
312P82.6Confident82Confident11 Ų1131 Ų317%0.07116%0.155CC..  trans-57.4147.1-178-2637.8000110.8R295 R310 Q314 F316 V335 D337R295-P312 PolarHBondContact NH1-O 2.86Å; R295-P312 PolarHBondContact NH2-O 2.88Å; R310-P312 VanDerWaalsContact O-CD 3.27Å; R310-P312 WeakPolarHBondContact O-CD 3.25Å; P312-Q314 VanDerWaalsContact C-N 3.29Å; P312-Q314 PolarHBondContact O-N 2.82Å; P312-F316 HydrophobicContact CB-CB 4.02Å; P312-F316 HydrophobicContact CG-CB 3.63Å; P312-F316 HydrophobicContact CG-CG 4.15Å; P312-V335 HydrophobicContact CG-CG1 4.18Å; P312-D337 HydrophobicContact CB-CB 3.95Å; P312-D337 HydrophobicContact CG-CB 3.67Å
313E75.4Confident82.2Confident128 Ų12831.5 Ų31.560%0.59816%0.158SC*.SBendtrans-69.9-25.3-175.1-66.6-158.3139.300114.1K231K231-E313 IonicContact NZ-OE1 3.13Å; K231-E313 PolarHBondContact NZ-OE1 3.18Å
314Q78Confident82.3Confident27 Ų2731.9 Ų31.913%0.12616%0.159CC..SBendtrans-111.6-142.6-177-65.3-174.5-15.400110.9Y65 R295 P312 R339Y65-Q314 PolarHBondContact OH-OE1 2.93Å; R295-Q314 PolarHBondContact NH1-O 2.98Å; P312-Q314 VanDerWaalsContact C-N 3.29Å; P312-Q314 PolarHBondContact O-N 2.82Å; Q314-R339 VanDerWaalsContact OE1-CD 3.31Å
315D84.8Confident82.1Confident12 Ų1235.1 Ų35.16%0.06417%0.174CC..  trans-71.3129.2-174.8-53.9-25.8000110.2A35 D36 M69 V338A35-D315 WeakPolarHBondContact CA-OD1 3.29Å; D36-D315 PolarHBondContact N-OD1 2.95Å; M69-D315 HydrophobicContact CB-CB 4.47Å; M69-D315 VanDerWaalsContact CB-OD2 3.23Å; M69-D315 WeakPolarHBondContact CB-OD2 3.41Å; M69-D315 HydrophobicContact CE-CB 4.1Å; M69-D315 WeakPolarHBondContact CG-OD2 3.3Å; D315-V338 HydrophobicContact CB-CB 4.22Å; D315-V338 HydrophobicContact CB-CG2 4.31Å; D315-V338 WeakPolarHBondContact O-CB 3.49Å; D315-V338 WeakPolarHBondContact O-CG2 3.37Å; D315-V338 PolarHBondContact O-N 3.15Å; D315-V338 VanDerWaalsContact O-N 3.1Å
316F93.9Very high81.6Confident0 Ų046.4 Ų46.40%022%0.216CC..EExtended strand (participates in β ladder)trans-144.4163.1177.876.9-92.4000110.8A33 R295 L298 I311 P312 I318 V335 Y336A33-F316 HydrophobicContact CB-CD1 4.38Å; A33-F316 WeakPolarHBondContact CB-O 3.27Å; A33-F316 PolarHBondContact N-O 3.03Å; R295-F316 HydrophobicContact CG-CE1 3.91Å; L298-F316 HydrophobicContact CB-CE2 3.74Å; L298-F316 HydrophobicContact CB-CZ 3.63Å; L298-F316 HydrophobicContact CD1-CD2 4.1Å; L298-F316 HydrophobicContact CD1-CE2 3.6Å; L298-F316 HydrophobicContact CD1-CZ 3.96Å; L298-F316 HydrophobicContact CG-CE2 4.34Å; L298-F316 HydrophobicContact CG-CZ 4.41Å; I311-F316 HydrophobicContact CG2-CD1 4.37Å; I311-F316 HydrophobicContact CG2-CE1 3.59Å; I311-F316 HydrophobicContact CG2-CZ 3.81Å; P312-F316 HydrophobicContact CB-CB 4.02Å; P312-F316 HydrophobicContact CG-CB 3.63Å; P312-F316 HydrophobicContact CG-CG 4.15Å; F316-I318 HydrophobicContact CD2-CG1 4.4Å; F316-I318 HydrophobicContact CE2-CD1 4.25Å; F316-I318 HydrophobicContact CE2-CG1 4.01Å; F316-V335 HydrophobicContact CD2-CG1 4.08Å; F316-Y336 CarbonylContact C-O 3.55Å; F316-Y336 WeakPolarHBondContact CA-O 3.47Å; F316-Y336 VanDerWaalsContact CB-O 3.25Å; F316-Y336 WeakPolarHBondContact CB-O 3.36Å
317A96.3Very high81.3Confident0 Ų047.9 Ų47.90%023%0.228CC..EExtended strand (participates in β ladder)trans-131152.8172.600000111.1L31 Q32 F73 V335 Y336L31-A317 CarbonylContact O-C 3.29Å; L31-A317 VanDerWaalsContact O-CA 3.23Å; L31-A317 WeakPolarHBondContact O-CA 3.35Å; Q32-A317 HydrophobicContact CB-CB 4.21Å; Q32-A317 HydrophobicContact CG-CB 4.44Å; F73-A317 HydrophobicContact CD1-CB 4.43Å; F73-A317 HydrophobicContact CE1-CB 3.57Å; F73-A317 HydrophobicContact CE2-CB 4.07Å; F73-A317 HydrophobicContact CZ-CB 3.35Å; A317-V335 WeakPolarHBondContact O-CA 3.21Å; A317-Y336 PolarHBondContact N-O 3.06Å; A317-Y336 PolarHBondContact O-N 2.88Å
318I93.4Very high81.6Confident0 Ų051.8 Ų51.80%025%0.245CC..EExtended strand (participates in β ladder)trans-106.7124.4167.8-59170.4000107.2L31 L298 L301 L302 F316 F320 I333 F334 V335L31-I318 PolarHBondContact N-O 3.2Å; L31-I318 PolarHBondContact O-N 3.35Å; L298-I318 HydrophobicContact CB-CD1 3.85Å; L298-I318 HydrophobicContact CD1-CG1 4.48Å; L298-I318 HydrophobicContact CD2-CD1 4.41Å; L298-I318 HydrophobicContact CG-CD1 4.49Å; L301-I318 HydrophobicContact CD2-CD1 4.08Å; L301-I318 HydrophobicContact CG-CD1 4.48Å; L302-I318 HydrophobicContact CD1-CD1 4.07Å; L302-I318 HydrophobicContact CD2-CD1 3.74Å; L302-I318 HydrophobicContact CD2-CG1 4.39Å; L302-I318 HydrophobicContact CG-CD1 3.61Å; F316-I318 HydrophobicContact CD2-CG1 4.4Å; F316-I318 HydrophobicContact CE2-CD1 4.25Å; F316-I318 HydrophobicContact CE2-CG1 4.01Å; I318-F320 HydrophobicContact CG2-CD2 4.3Å; I318-F320 HydrophobicContact CG2-CE2 3.61Å; I318-F320 HydrophobicContact CG2-CZ 4.16Å; I318-I333 HydrophobicContact CG2-CG2 4.01Å; I318-F334 CarbonylContact C-O 3.59Å; I318-F334 VanDerWaalsContact CA-O 3.31Å; I318-F334 WeakPolarHBondContact CA-O 2.84Å; I318-V335 HydrophobicContact CG1-CG2 4.46Å
319G94.4Very high82Confident0 Ų053.2 Ų53.20%025%0.246CC..EExtended strand (participates in β ladder)trans-109.7143.5176.900000112.1Q29 I333 F334Q29-G319 CarbonylContact O-C 3.53Å; Q29-G319 WeakPolarHBondContact O-CA 3.49Å; G319-I333 CarbonylContact O-C 3.46Å; G319-I333 VanDerWaalsContact O-CA 3.29Å; G319-I333 WeakPolarHBondContact O-CA 3.42Å; G319-F334 PolarHBondContact N-O 3.42Å; G319-F334 PolarHBondContact O-N 3.43Å
320F93.3Very high82.8Confident8 Ų856 Ų564%0.03526%0.257CS..EExtended strand (participates in β ladder)trans-120.2114.6170.7-62.2-107.4000108.2Q29 L31 I270 M274 L301 L305 I318 K332 I333Q29-F320 HydrophobicContact CB-CB 4.29Å; Q29-F320 PolarHBondContact N-O 3.5Å; Q29-F320 PolarHBondContact O-N 3.22Å; L31-F320 HydrophobicContact CD1-CD2 3.93Å; L31-F320 HydrophobicContact CD1-CE2 3.73Å; I270-F320 HydrophobicContact CD1-CD2 4.3Å; I270-F320 HydrophobicContact CD1-CE2 3.84Å; I270-F320 HydrophobicContact CD1-CZ 3.95Å; I270-F320 HydrophobicContact CG2-CB 4.5Å; I270-F320 HydrophobicContact CG2-CD1 3.95Å; I270-F320 HydrophobicContact CG2-CD2 4.44Å; I270-F320 HydrophobicContact CG2-CE1 4.25Å; I270-F320 HydrophobicContact CG2-CG 4.05Å; M274-F320 HydrophobicContact CE-CB 3.8Å; M274-F320 HydrophobicContact CE-CD1 4.13Å; M274-F320 HydrophobicContact CE-CG 4.35Å; L301-F320 HydrophobicContact CD2-CE2 4.31Å; L301-F320 HydrophobicContact CD2-CZ 4.35Å; L305-F320 HydrophobicContact CD1-CE1 4.23Å; L305-F320 HydrophobicContact CD1-CZ 3.92Å; I318-F320 HydrophobicContact CG2-CD2 4.3Å; I318-F320 HydrophobicContact CG2-CE2 3.61Å; I318-F320 HydrophobicContact CG2-CZ 4.16Å; F320-K332 WeakPolarHBondContact CA-O 3.33Å; F320-I333 HydrophobicContact CD1-CD1 3.91Å; F320-I333 HydrophobicContact CD1-CG1 3.71Å; F320-I333 HydrophobicContact CD1-CG2 4.49Å; F320-I333 HydrophobicContact CE1-CD1 3.57Å; F320-I333 HydrophobicContact CE1-CG1 3.86Å; F320-I333 HydrophobicContact CE1-CG2 4.24Å; F320-I333 HydrophobicContact CZ-CD1 4.47Å; F320-I333 HydrophobicContact CZ-CG2 4.33Å
321E92.3Very high83.2Confident10 Ų1048.7 Ų48.75%0.04724%0.235CC..EExtended strand (participates in β ladder)trans-99.9120.7175.9-63.6175.8165.300108.7P25 L28 Y81 L323 V331 K332 F334 R343P25-E321 HydrophobicContact CB-CB 4.07Å; P25-E321 HydrophobicContact CG-CG 4.43Å; L28-E321 HydrophobicContact CD1-CG 3.98Å; Y81-E321 HydrophobicContact CE1-CG 4.36Å; Y81-E321 VanDerWaalsContact CE1-OE1 3.29Å; Y81-E321 WeakPolarHBondContact CE1-OE1 3.45Å; Y81-E321 VanDerWaalsContact CZ-OE1 3.29Å; Y81-E321 PolarHBondContact OH-OE1 2.88Å; E321-L323 HydrophobicContact CB-CG 4.48Å; E321-V331 CarbonylContact O-C 3.56Å; E321-V331 VanDerWaalsContact O-CA 3.25Å; E321-V331 WeakPolarHBondContact O-CA 3.4Å; E321-K332 HydrophobicContact CB-CB 4.25Å; E321-K332 PolarHBondContact N-O 3Å; E321-K332 PolarHBondContact O-N 3.36Å; E321-F334 HydrophobicContact CG-CD1 4.21Å; E321-F334 HydrophobicContact CG-CE1 3.81Å; E321-F334 WeakPolarHBondContact OE1-CE1 3.38Å; E321-R343 IonicContact OE1-NH1 3.97Å; E321-R343 PolarHBondContact OE1-NH1 3.46Å
322L90.3Very high83.7Confident4 Ų450.7 Ų50.72%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-96.3113.2167.5179.666.2000108.4P25 M26 L27 M274 K277 L278 H329 V331P25-L322 CarbonylContact C-O 3.31Å; P25-L322 VanDerWaalsContact CA-O 3.29Å; P25-L322 WeakPolarHBondContact CA-O 3.33Å; P25-L322 WeakPolarHBondContact CB-O 3.44Å; M26-L322 HydrophobicContact CG-CB 4.29Å; M26-L322 HydrophobicContact CG-CD2 3.93Å; M26-L322 HydrophobicContact CG-CG 3.88Å; M26-L322 VanDerWaalsContact CG-O 3.3Å; M26-L322 WeakPolarHBondContact CG-O 3.49Å; M26-L322 PolarHBondContact N-O 3.36Å; M26-L322 HydrophobicContact SD-CD2 3.79Å; M26-L322 HydrophobicContact SD-CG 4.07Å; L27-L322 HydrophobicContact CB-CB 4.04Å; L27-L322 HydrophobicContact CB-CD2 4.2Å; L27-L322 HydrophobicContact CD2-CD2 4.25Å; L27-L322 PolarHBondContact O-N 2.99Å; M274-L322 HydrophobicContact CB-CD2 4.12Å; M274-L322 HydrophobicContact CG-CD2 4.27Å; K277-L322 HydrophobicContact CB-CD2 4.36Å; K277-L322 HydrophobicContact CG-CD2 4.38Å; L278-L322 HydrophobicContact CD2-CD2 4.13Å; L278-L322 HydrophobicContact CG-CD2 4.34Å; L322-H329 HydrophobicContact CD1-CB 3.93Å; L322-V331 HydrophobicContact CD1-CG2 3.87Å
323L85Confident84Confident16 Ų1650.9 Ų50.98%0.08424%0.243CC..EExtended strand (participates in β ladder)trans-105.2132-176-66.8157.1000110.3Q23 P25 E321 L325 H329 E330 K332Q23-L323 WeakPolarHBondContact O-CD2 3.46Å; P25-L323 HydrophobicContact CB-CD2 3.96Å; P25-L323 HydrophobicContact CB-CG 4.42Å; E321-L323 HydrophobicContact CB-CG 4.48Å; L323-L325 HydrophobicContact CB-CD1 4.41Å; L323-L325 PolarHBondContact O-N 3.39Å; L323-H329 WeakPolarHBondContact O-CA 3.38Å; L323-E330 HydrophobicContact CB-CB 4.4Å; L323-E330 PolarHBondContact N-O 3.45Å; L323-E330 PolarHBondContact O-N 3.4Å; L323-K332 HydrophobicContact CD1-CB 4.44Å; L323-K332 HydrophobicContact CD1-CD 3.59Å; L323-K332 HydrophobicContact CD1-CG 3.79Å
324P80.1Confident84.7Confident30 Ų3044.8 Ų44.820%0.19521%0.214CC..EExtended strand (participates in β ladder)trans-68.3125.1168.123.1-26000110.2Q23 M26Q23-P324 VanDerWaalsContact CD-O 3.32Å; Q23-P324 HydrophobicContact CG-CG 4.12Å; Q23-P324 PolarHBondContact OE1-O 2.84Å; M26-P324 HydrophobicContact CE-CB 3.44Å; M26-P324 VanDerWaalsContact CE-CB 3.44Å; M26-P324 HydrophobicContact CE-CG 3.97Å
325L72Confident85.4Confident76 Ų7643.8 Ų43.840%0.39821%0.21SC..  trans-106.7165160.2-78.378.6000108.8L323 T327 E328 E330L323-L325 HydrophobicContact CB-CD1 4.41Å; L323-L325 PolarHBondContact O-N 3.39Å; L325-T327 PolarHBondContact O-N 3.4Å; L325-E328 CarbonylContact C-O 3.56Å; L325-E328 VanDerWaalsContact C-O 3.31Å; L325-E328 VanDerWaalsContact CA-O 3.23Å; L325-E328 WeakPolarHBondContact CA-O 3.27Å; L325-E328 HydrophobicContact CB-CB 4.43Å; L325-E328 VanDerWaalsContact CB-O 3.26Å; L325-E328 WeakPolarHBondContact CB-O 3.41Å; L325-E328 PolarHBondContact N-O 2.99Å; L325-E330 HydrophobicContact CD1-CB 3.25Å
326R64.2Low85.9Confident256 Ų25643.7 Ų43.797%0.96621%0.209SC*.SBendtrans-47.4-43.9-171.8-68.8-176.3179.11730.1113.9
327T67.4Low85.9Confident116 Ų11645.3 Ų45.371%0.71222%0.218SC*.SBendtrans-130.6-2.8-179.253.30000113.1L325L325-T327 PolarHBondContact O-N 3.4Å
328E75.3Confident85.6Confident92 Ų9245.6 Ų45.643%0.4322%0.219SC..SBendtrans-137.2178.5-172.2-66.8-173.3-179.600109.2L325L325-E328 CarbonylContact C-O 3.56Å; L325-E328 VanDerWaalsContact C-O 3.31Å; L325-E328 VanDerWaalsContact CA-O 3.23Å; L325-E328 WeakPolarHBondContact CA-O 3.27Å; L325-E328 HydrophobicContact CB-CB 4.43Å; L325-E328 VanDerWaalsContact CB-O 3.26Å; L325-E328 WeakPolarHBondContact CB-O 3.41Å; L325-E328 PolarHBondContact N-O 2.99Å
329H80.8Confident85.3Confident80 Ų8053.5 Ų53.537%0.3725%0.249SC..EExtended strand (participates in β ladder)trans-132.6138.3176.7-57.682.3000108.5M26 L278 L322 L323M26-H329 VanDerWaalsContact CE-CD2 3.46Å; M26-H329 WeakPolarHBondContact CE-CD2 3.29Å; L278-H329 HydrophobicContact CD2-CB 4.48Å; L278-H329 WeakPolarHBondContact CD2-CD2 3.28Å; L278-H329 VanDerWaalsContact CD2-NE2 3.32Å; L278-H329 WeakPolarHBondContact CD2-NE2 3.48Å; L322-H329 HydrophobicContact CD1-CB 3.93Å; L323-H329 WeakPolarHBondContact O-CA 3.38Å
330E83.6Confident85.1Confident72 Ų7257.1 Ų57.134%0.33628%0.275SS..EExtended strand (participates in β ladder)trans-108.5138.3178.2-178.8-175.4-169.600108.7L323 L325 K332L323-E330 HydrophobicContact CB-CB 4.4Å; L323-E330 PolarHBondContact N-O 3.45Å; L323-E330 PolarHBondContact O-N 3.4Å; L325-E330 HydrophobicContact CD1-CB 3.25Å; E330-K332 HydrophobicContact CG-CG 4.23Å; E330-K332 WeakPolarHBondContact OE1-CE 2.89Å; E330-K332 IonicContact OE1-NZ 3.8Å; E330-K332 VanDerWaalsContact OE2-CE 3.22Å; E330-K332 WeakPolarHBondContact OE2-CE 3.5Å; E330-K332 IonicContact OE2-NZ 2.76Å
331V85.6Confident85Confident53 Ų5358.6 Ų58.632%0.32129%0.292SS..EExtended strand (participates in β ladder)trans-109114.5172.1-179.90000108.5M274 E321 L322 I333M274-V331 HydrophobicContact CE-CG1 3.73Å; M274-V331 HydrophobicContact CE-CG2 4.25Å; M274-V331 HydrophobicContact SD-CG1 4.39Å; M274-V331 HydrophobicContact SD-CG2 3.91Å; E321-V331 CarbonylContact O-C 3.56Å; E321-V331 VanDerWaalsContact O-CA 3.25Å; E321-V331 WeakPolarHBondContact O-CA 3.4Å; L322-V331 HydrophobicContact CD1-CG2 3.87Å; V331-I333 HydrophobicContact CG1-CG1 4.31Å
332K88.8Confident84.9Confident73 Ų7362.1 Ų62.132%0.31731%0.311SS..EExtended strand (participates in β ladder)trans-99.5131.9171-65.1-174-175.1176.10110.1F320 E321 L323 E330 F345F320-K332 WeakPolarHBondContact CA-O 3.33Å; E321-K332 HydrophobicContact CB-CB 4.25Å; E321-K332 PolarHBondContact N-O 3Å; E321-K332 PolarHBondContact O-N 3.36Å; L323-K332 HydrophobicContact CD1-CB 4.44Å; L323-K332 HydrophobicContact CD1-CD 3.59Å; L323-K332 HydrophobicContact CD1-CG 3.79Å; E330-K332 HydrophobicContact CG-CG 4.23Å; E330-K332 WeakPolarHBondContact OE1-CE 2.89Å; E330-K332 IonicContact OE1-NZ 3.8Å; E330-K332 VanDerWaalsContact OE2-CE 3.22Å; E330-K332 WeakPolarHBondContact OE2-CE 3.5Å; E330-K332 IonicContact OE2-NZ 2.76Å; K332-F345 HydrophobicContact CB-CD1 3.97Å; K332-F345 HydrophobicContact CB-CE1 3.72Å; K332-F345 HydrophobicContact CD-CD1 4.45Å; K332-F345 HydrophobicContact CD-CE1 4Å; K332-F345 HydrophobicContact CD-CZ 4.47Å; K332-F345 HydrophobicContact CG-CE1 4.43Å
333I89.3Confident85Confident15 Ų1566 Ų668%0.07733%0.326CS..EExtended strand (participates in β ladder)trans-111.1132.7176.6-53.1177.8000107.7L305 I318 G319 F320 V331 F345 V346 V348L305-I333 HydrophobicContact CD1-CD1 4.4Å; I318-I333 HydrophobicContact CG2-CG2 4.01Å; G319-I333 CarbonylContact O-C 3.46Å; G319-I333 VanDerWaalsContact O-CA 3.29Å; G319-I333 WeakPolarHBondContact O-CA 3.42Å; F320-I333 HydrophobicContact CD1-CD1 3.91Å; F320-I333 HydrophobicContact CD1-CG1 3.71Å; F320-I333 HydrophobicContact CD1-CG2 4.49Å; F320-I333 HydrophobicContact CE1-CD1 3.57Å; F320-I333 HydrophobicContact CE1-CG1 3.86Å; F320-I333 HydrophobicContact CE1-CG2 4.24Å; F320-I333 HydrophobicContact CZ-CD1 4.47Å; F320-I333 HydrophobicContact CZ-CG2 4.33Å; V331-I333 HydrophobicContact CG1-CG1 4.31Å; I333-F345 WeakPolarHBondContact O-CA 3.37Å; I333-V346 HydrophobicContact CB-CB 4.37Å; I333-V346 HydrophobicContact CG2-CB 4.34Å; I333-V346 PolarHBondContact O-N 2.92Å; I333-V348 HydrophobicContact CD1-CG2 3.69Å
334F91Very high85.2Confident0 Ų068 Ų680%034%0.341CS..EExtended strand (participates in β ladder)trans-133.5150.9176.165.5-97.5000112.1L28 L30 Y81 I318 G319 E321 R343 S344 F345L28-F334 HydrophobicContact CD1-CE1 4.37Å; L30-F334 HydrophobicContact CD2-CZ 4.03Å; Y81-F334 VanDerWaalsContact OH-CE1 3.3Å; Y81-F334 WeakPolarHBondContact OH-CE1 3.22Å; Y81-F334 WeakPolarHBondContact OH-CZ 3.31Å; I318-F334 CarbonylContact C-O 3.59Å; I318-F334 VanDerWaalsContact CA-O 3.31Å; I318-F334 WeakPolarHBondContact CA-O 2.84Å; G319-F334 PolarHBondContact N-O 3.42Å; G319-F334 PolarHBondContact O-N 3.43Å; E321-F334 HydrophobicContact CG-CD1 4.21Å; E321-F334 HydrophobicContact CG-CE1 3.81Å; E321-F334 WeakPolarHBondContact OE1-CE1 3.38Å; F334-R343 HydrophobicContact CB-CG 3.76Å; F334-R343 HydrophobicContact CD2-CG 3.64Å; F334-R343 HydrophobicContact CE2-CG 4.34Å; F334-R343 HydrophobicContact CG-CG 3.74Å; F334-S344 CarbonylContact C-O 3.56Å; F334-S344 VanDerWaalsContact CA-O 3.29Å; F334-S344 WeakPolarHBondContact CA-O 3.15Å; F334-F345 HydrophobicContact CB-CD1 3.84Å; F334-F345 HydrophobicContact CB-CE1 4.04Å; F334-F345 HydrophobicContact CB-CG 4.36Å; F334-F345 HydrophobicContact CD1-CE1 4.18Å
335V92.3Very high85.5Confident6 Ų671.3 Ų71.34%0.03635%0.352CS..EExtended strand (participates in β ladder)trans-101.8123.9164179.80000107.4L302 A309 P312 F316 A317 I318 S344 V346L302-V335 HydrophobicContact CD2-CG2 4.23Å; A309-V335 HydrophobicContact CB-CG2 3.97Å; P312-V335 HydrophobicContact CG-CG1 4.18Å; F316-V335 HydrophobicContact CD2-CG1 4.08Å; A317-V335 WeakPolarHBondContact O-CA 3.21Å; I318-V335 HydrophobicContact CG1-CG2 4.46Å; V335-S344 PolarHBondContact N-O 2.93Å; V335-S344 PolarHBondContact O-N 3.47Å; V335-V346 HydrophobicContact CG2-CG2 3.9Å
336Y94.9Very high86Confident10 Ų1068.9 Ų68.94%0.03934%0.34CS..EExtended strand (participates in β ladder)trans-107.2118176.7-178.6-100.1000110F73 Y76 F316 A317 V338 G341 D342 R343F73-Y336 AromaticContact CD2-CD1 3.38Å; F73-Y336 HydrophobicContact CD2-CD1 3.38Å; F73-Y336 AromaticContact CD2-CE1 3.35Å; F73-Y336 HydrophobicContact CD2-CE1 3.35Å; F73-Y336 HydrophobicContact CD2-CG 4.33Å; F73-Y336 AromaticContact CE2-CD1 3.49Å; F73-Y336 HydrophobicContact CE2-CD1 3.49Å; F73-Y336 VanDerWaalsContact CE2-CD1 3.49Å; F73-Y336 AromaticContact CE2-CE1 3.92Å; F73-Y336 HydrophobicContact CE2-CE1 3.92Å; F73-Y336 HydrophobicContact CE2-CG 4.06Å; F73-Y336 HydrophobicContact CG-CD1 4.38Å; F73-Y336 HydrophobicContact CG-CE1 4.28Å; Y76-Y336 HydrophobicContact CD1-CD2 4.29Å; Y76-Y336 HydrophobicContact CD1-CE1 4.18Å; Y76-Y336 AromaticContact CD1-CE2 3.86Å; Y76-Y336 HydrophobicContact CD1-CE2 3.86Å; Y76-Y336 AromaticContact CD1-CZ 3.8Å; Y76-Y336 AromaticContact CD2-CE2 3.7Å; Y76-Y336 HydrophobicContact CD2-CE2 3.7Å; Y76-Y336 AromaticContact CD2-CZ 3.87Å; Y76-Y336 AromaticContact CE1-CD2 3.92Å; Y76-Y336 HydrophobicContact CE1-CD2 3.92Å; Y76-Y336 AromaticContact CE1-CE2 3.83Å; Y76-Y336 HydrophobicContact CE1-CE2 3.83Å; Y76-Y336 HydrophobicContact CE1-CG 4.4Å; Y76-Y336 HydrophobicContact CE2-CD2 4.3Å; Y76-Y336 AromaticContact CE2-CE2 3.65Å; Y76-Y336 HydrophobicContact CE2-CE2 3.65Å; Y76-Y336 HydrophobicContact CG-CE1 4.33Å; Y76-Y336 AromaticContact CG-CE2 3.81Å; Y76-Y336 HydrophobicContact CG-CE2 3.81Å; Y76-Y336 AromaticContact CG-CZ 3.61Å; Y76-Y336 AromaticContact CZ-CD2 3.94Å; Y76-Y336 AromaticContact CZ-CE2 3.74Å; F316-Y336 CarbonylContact C-O 3.55Å; F316-Y336 WeakPolarHBondContact CA-O 3.47Å; F316-Y336 VanDerWaalsContact CB-O 3.25Å; F316-Y336 WeakPolarHBondContact CB-O 3.36Å; A317-Y336 PolarHBondContact N-O 3.06Å; A317-Y336 PolarHBondContact O-N 2.88Å; Y336-V338 HydrophobicContact CD1-CG2 3.86Å; Y336-V338 HydrophobicContact CE1-CB 4.23Å; Y336-V338 HydrophobicContact CE1-CG2 3.93Å; Y336-G341 WeakPolarHBondContact CE2-O 3.27Å; Y336-D342 WeakPolarHBondContact CA-O 3.35Å; Y336-R343 HydrophobicContact CD2-CB 4.12Å
337D93.7Very high86.4Confident35 Ų3562.2 Ų62.219%0.18732%0.32CS..EExtended strand (participates in β ladder)trans-85.7110.4171.4178.8-7.1000109P312 R339 S340 G341 D342P312-D337 HydrophobicContact CB-CB 3.95Å; P312-D337 HydrophobicContact CG-CB 3.67Å; D337-R339 PolarHBondContact O-N 3.35Å; D337-R339 WeakPolarHBondContact OD1-CB 3.46Å; D337-R339 PolarHBondContact OD1-N 2.93Å; D337-S340 VanDerWaalsContact CB-OG 3.23Å; D337-S340 WeakPolarHBondContact CB-OG 3.32Å; D337-S340 PolarHBondContact OD1-N 3.29Å; D337-S340 PolarHBondContact OD2-OG 3.49Å; D337-G341 WeakPolarHBondContact O-CA 3.35Å; D337-G341 PolarHBondContact O-N 3.03Å; D337-D342 PolarHBondContact N-O 3.04Å
338V90.4Very high86.4Confident6 Ų657.3 Ų57.34%0.03629%0.29CS..THydrogen-bonded Turntrans-64.9-26.4-174.9-178.90000111.7M69 F73 D315 Y336M69-V338 HydrophobicContact CB-CG1 4.01Å; M69-V338 HydrophobicContact CE-CB 3.82Å; M69-V338 HydrophobicContact CE-CG1 3.7Å; M69-V338 WeakPolarHBondContact O-CG1 3.35Å; M69-V338 HydrophobicContact SD-CG1 4.24Å; F73-V338 HydrophobicContact CB-CG1 4.09Å; F73-V338 HydrophobicContact CB-CG2 4.09Å; F73-V338 HydrophobicContact CD2-CG2 4.48Å; F73-V338 HydrophobicContact CG-CG2 4.23Å; D315-V338 HydrophobicContact CB-CB 4.22Å; D315-V338 HydrophobicContact CB-CG2 4.31Å; D315-V338 WeakPolarHBondContact O-CB 3.49Å; D315-V338 WeakPolarHBondContact O-CG2 3.37Å; D315-V338 PolarHBondContact O-N 3.15Å; D315-V338 VanDerWaalsContact O-N 3.1Å; Y336-V338 HydrophobicContact CD1-CG2 3.86Å; Y336-V338 HydrophobicContact CE1-CB 4.23Å; Y336-V338 HydrophobicContact CE1-CG2 3.93Å
339R86.8Confident85.7Confident165 Ų16556.4 Ų56.462%0.62329%0.292SS*.THydrogen-bonded Turntrans-79.6-48.7-176.6-171.5-167-179.4169.2-5.1111.8M69 Q314 D337M69-R339 HydrophobicContact CE-CB 3.8Å; M69-R339 HydrophobicContact CE-CG 4.48Å; Q314-R339 VanDerWaalsContact OE1-CD 3.31Å; D337-R339 PolarHBondContact O-N 3.35Å; D337-R339 WeakPolarHBondContact OD1-CB 3.46Å; D337-R339 PolarHBondContact OD1-N 2.93Å
340S90.4Very high84.4Confident77 Ų7753.9 Ų53.954%0.53828%0.283SS..THydrogen-bonded Turntrans-82.8-18.9-179.158.70000112.3D337 D342D337-S340 VanDerWaalsContact CB-OG 3.23Å; D337-S340 WeakPolarHBondContact CB-OG 3.32Å; D337-S340 PolarHBondContact OD1-N 3.29Å; D337-S340 PolarHBondContact OD2-OG 3.49Å; S340-D342 PolarHBondContact O-N 3.36Å; S340-D342 WeakPolarHBondContact OG-CB 3.36Å; S340-D342 PolarHBondContact OG-N 3.19Å
341G90.5Very high82.9Confident38 Ų3851.8 Ų51.839%0.39228%0.276SS..  trans72.47.9-169.800000112.9Y336 D337Y336-G341 WeakPolarHBondContact CE2-O 3.27Å; D337-G341 WeakPolarHBondContact O-CA 3.35Å; D337-G341 PolarHBondContact O-N 3.03Å
342D91.1Very high80.7Confident84 Ų8450.3 Ų50.345%0.44927%0.272SS..  trans-73.8133.2-178.7-176.332.6000111Y336 D337 S340 S344Y336-D342 WeakPolarHBondContact CA-O 3.35Å; D337-D342 PolarHBondContact N-O 3.04Å; S340-D342 PolarHBondContact O-N 3.36Å; S340-D342 WeakPolarHBondContact OG-CB 3.36Å; S340-D342 PolarHBondContact OG-N 3.19Å; D342-S344 PolarHBondContact OD2-OG 3.32Å; D342-S344 VanDerWaalsContact OD2-OG 3.08Å
343R91.8Very high78.2Confident87 Ų8752.8 Ų52.833%0.32829%0.289SS..EExtended strand (participates in β ladder)trans-114.7101.1174-176.3179.760.3174.31.5108.8Y76 Y81 E321 F334 Y336Y76-R343 WeakPolarHBondContact OH-CD 3.45Å; Y81-R343 PolarHBondContact OH-NH1 3.45Å; E321-R343 IonicContact OE1-NH1 3.97Å; E321-R343 PolarHBondContact OE1-NH1 3.46Å; F334-R343 HydrophobicContact CB-CG 3.76Å; F334-R343 HydrophobicContact CD2-CG 3.64Å; F334-R343 HydrophobicContact CE2-CG 4.34Å; F334-R343 HydrophobicContact CG-CG 3.74Å; Y336-R343 HydrophobicContact CD2-CB 4.12Å
344S89.3Confident75.6Confident57 Ų5758.1 Ų58.140%0.39932%0.321SS..EExtended strand (participates in β ladder)trans-96.1114.5177.6-76.80000110.7F334 V335 D342F334-S344 CarbonylContact C-O 3.56Å; F334-S344 VanDerWaalsContact CA-O 3.29Å; F334-S344 WeakPolarHBondContact CA-O 3.15Å; V335-S344 PolarHBondContact N-O 2.93Å; V335-S344 PolarHBondContact O-N 3.47Å; D342-S344 PolarHBondContact OD2-OG 3.32Å; D342-S344 VanDerWaalsContact OD2-OG 3.08Å
345F87.1Confident72.6Confident100 Ų10062.9 Ų62.944%0.43936%0.355SS..EExtended strand (participates in β ladder)trans-70.6143.7171.5-73.5-79.5000111K332 I333 F334K332-F345 HydrophobicContact CB-CD1 3.97Å; K332-F345 HydrophobicContact CB-CE1 3.72Å; K332-F345 HydrophobicContact CD-CD1 4.45Å; K332-F345 HydrophobicContact CD-CE1 4Å; K332-F345 HydrophobicContact CD-CZ 4.47Å; K332-F345 HydrophobicContact CG-CE1 4.43Å; I333-F345 WeakPolarHBondContact O-CA 3.37Å; F334-F345 HydrophobicContact CB-CD1 3.84Å; F334-F345 HydrophobicContact CB-CE1 4.04Å; F334-F345 HydrophobicContact CB-CG 4.36Å; F334-F345 HydrophobicContact CD1-CE1 4.18Å
346V80.9Confident69.6Low24 Ų2471.7 Ų71.715%0.14539%0.393CS..EExtended strand (participates in β ladder)trans-106.5131.8-176.4156.20000109.4V307 A309 I333 V335 V348V307-V346 HydrophobicContact CB-CG1 3.8Å; V307-V346 HydrophobicContact CG1-CB 4.12Å; V307-V346 HydrophobicContact CG1-CG1 3.16Å; V307-V346 HydrophobicContact CG1-CG2 3.86Å; V307-V346 HydrophobicContact CG2-CG1 3.29Å; A309-V346 HydrophobicContact CB-CG2 3.99Å; I333-V346 HydrophobicContact CB-CB 4.37Å; I333-V346 HydrophobicContact CG2-CB 4.34Å; I333-V346 PolarHBondContact O-N 2.92Å; V335-V346 HydrophobicContact CG2-CG2 3.9Å; V346-V348 HydrophobicContact CG1-CG2 4.47Å
347H73.6Confident66.3Low117 Ų11773.4 Ų73.454%0.54241%0.406SS..  trans-89.1125.3167.8-172.168.7000109.9C351H347-C351 PolarHBondContact CE1-O 2.96Å
348V67.8Low63.1Low13 Ų1383 Ų838%0.07944%0.439CS..  trans-90.5116.2173.9179.70000107.1V307 I333 V346 S350 C351V307-V348 HydrophobicContact CG2-CG2 3.94Å; I333-V348 HydrophobicContact CD1-CG2 3.69Å; V346-V348 HydrophobicContact CG1-CG2 4.47Å; V348-S350 PolarHBondContact O-N 3.36Å; V348-S350 VanDerWaalsContact O-N 3.07Å; V348-C351 HydrophobicContact CB-CB 4.09Å; V348-C351 HydrophobicContact CG1-CB 4.49Å; V348-C351 CarbonylContact O-C 3.58Å; V348-C351 VanDerWaalsContact O-CA 3.31Å; V348-C351 WeakPolarHBondContact O-CA 3.11Å; V348-C351 WeakPolarHBondContact O-CB 3.28Å; V348-C351 PolarHBondContact O-N 3.48Å
349P59.3Low60Low72 Ų7287 Ų8747%0.46846%0.461SS..THydrogen-bonded Turntrans-57.1-32.5-172.7-26.734.1000114.1N306 C351N306-P349 VanDerWaalsContact O-CD 3.24Å; N306-P349 WeakPolarHBondContact O-CD 3.46Å; N306-P349 WeakPolarHBondContact O-CG 3.38Å; P349-C351 PolarHBondContact O-N 2.86Å
350S54.9Low57.3Low28 Ų2883.9 Ų83.920%0.19646%0.46CS..THydrogen-bonded Turntrans-67.1-17.8175.7-74.40000114.5V348 I361 C362V348-S350 PolarHBondContact O-N 3.36Å; V348-S350 VanDerWaalsContact O-N 3.07Å; S350-I361 VanDerWaalsContact CB-CB 3.47Å; S350-I361 WeakPolarHBondContact OG-CB 3.4Å; S350-I361 WeakPolarHBondContact OG-CG2 2.99Å; S350-C362 VanDerWaalsContact O-CB 3.27Å; S350-C362 WeakPolarHBondContact O-CB 3.22Å; S350-C362 PolarHBondContact O-N 2.92Å
351C52.3Low54.3Low27 Ų2783.5 Ų83.518%0.18245%0.451CS..SBendtrans-106.269177.3-74.10000110.1H347 V348 P349 C362H347-C351 PolarHBondContact CE1-O 2.96Å; V348-C351 HydrophobicContact CB-CB 4.09Å; V348-C351 HydrophobicContact CG1-CB 4.49Å; V348-C351 CarbonylContact O-C 3.58Å; V348-C351 VanDerWaalsContact O-CA 3.31Å; V348-C351 WeakPolarHBondContact O-CA 3.11Å; V348-C351 WeakPolarHBondContact O-CB 3.28Å; V348-C351 PolarHBondContact O-N 3.48Å; P349-C351 PolarHBondContact O-N 2.86Å; C351-C362 VanDerWaalsContact CA-CB 3.45Å; C351-C362 WeakPolarHBondContact CA-SG 3.43Å; C351-C362 HydrophobicContact CB-CB 3.77Å; C351-C362 WeakPolarHBondContact CB-SG 3.43Å; C351-C362 VanDerWaalsContact SG-CA 3.52Å; C351-C362 WeakPolarHBondContact SG-CB 3.44Å; C351-C362 CovalentContact SG-SG 2.03Å; C351-C362 PolarHBondContact SG-SG 3.17Å
352G39.5Very low51.4Low23 Ų2382.9 Ų82.924%0.23744%0.44CS..  trans-51.3148.4169.900000110.9V354G352-V354 PolarHBondContact O-N 2.62Å; G352-V354 VanDerWaalsContact O-N 3.15Å
353D35.2Very low48.3Very low125 Ų12580.8 Ų80.867%0.66843%0.431SS*.  trans-37.3123174.1-100.3-35.1000110.1S355 K356D353-S355 PolarHBondContact O-N 2.71Å; D353-K356 PolarHBondContact O-N 2.63Å
354V34Very low45.3Very low126 Ų12680.3 Ų80.376%0.76443%0.432SS*.THydrogen-bonded Turntrans-52.8-18.2-174.6-174.40000112G352 K356G352-V354 PolarHBondContact O-N 2.62Å; G352-V354 VanDerWaalsContact O-N 3.15Å; V354-K356 PolarHBondContact O-N 3.24Å
355S29.4Very low42.7Very low101 Ų10179.3 Ų79.371%0.70642%0.422SS*.THydrogen-bonded Turntrans-69-19.7174.772.60000115.8D353D353-S355 PolarHBondContact O-N 2.71Å
356K28.5Very low40Very low191 Ų19177.3 Ų77.383%0.8342%0.418SS*.THydrogen-bonded Turntrans-140.6-2.3-168.3-78.4-168.2-180178.30119.8D353 V354D353-K356 PolarHBondContact O-N 2.63Å; V354-K356 PolarHBondContact O-N 3.24Å
357S26.1Very low37.4Very low45 Ų4578.4 Ų78.432%0.31543%0.425SS..  trans-141.4120.5-176.3-162.20000117.4D359S357-D359 WeakPolarHBondContact CB-OD2 3.47Å; S357-D359 PolarHBondContact O-N 3.35Å; S357-D359 VanDerWaalsContact O-N 3.15Å; S357-D359 VanDerWaalsContact OG-CB 3.25Å; S357-D359 WeakPolarHBondContact OG-CB 3.39Å; S357-D359 PolarHBondContact OG-N 3.01Å; S357-D359 VanDerWaalsContact OG-N 3.08Å; S357-D359 PolarHBondContact OG-OD1 3.29Å; S357-D359 PolarHBondContact OG-OD2 3.03Å
358R25.8Very low35.1Very low236 Ų23676.7 Ų76.789%0.89143%0.425SS*.  trans-76.835.2159.8-73.9-178.6171.5171.4-1.9111.3V360R358-V360 PolarHBondContact O-N 3.25Å
359D25.9Very low33.2Very low91 Ų9178.7 Ų78.749%0.48744%0.439SS..  trans-66.8135.2-178.1-85.8-34.1000111.5S357 I361 C362 T363S357-D359 WeakPolarHBondContact CB-OD2 3.47Å; S357-D359 PolarHBondContact O-N 3.35Å; S357-D359 VanDerWaalsContact O-N 3.15Å; S357-D359 VanDerWaalsContact OG-CB 3.25Å; S357-D359 WeakPolarHBondContact OG-CB 3.39Å; S357-D359 PolarHBondContact OG-N 3.01Å; S357-D359 VanDerWaalsContact OG-N 3.08Å; S357-D359 PolarHBondContact OG-OD1 3.29Å; S357-D359 PolarHBondContact OG-OD2 3.03Å; D359-I361 PolarHBondContact O-N 2.91Å; D359-C362 PolarHBondContact O-N 3.34Å; D359-T363 VanDerWaalsContact C-OG1 3.22Å; D359-T363 PolarHBondContact O-N 3.44Å; D359-T363 PolarHBondContact O-OG1 2.97Å
360V29.3Very low31.6Very low100 Ų10081 Ų8161%0.60644%0.439SS*.THydrogen-bonded Turntrans-57.7-18.9-162.51770000113.8R358 T363 Q364R358-V360 PolarHBondContact O-N 3.25Å; V360-T363 WeakPolarHBondContact CA-OG1 2.89Å; V360-T363 PolarHBondContact N-OG1 3.31Å; V360-Q364 WeakPolarHBondContact O-CB 3.49Å; V360-Q364 WeakPolarHBondContact O-CG 3.44Å; V360-Q364 PolarHBondContact O-N 3.24Å
361I27.9Very low30Very low69 Ų6984.9 Ų84.935%0.35447%0.465SS..THydrogen-bonded Turntrans-100.3-35.4-177.2-57.8171.3000112.8S350 D359 T363 Q364 I365S350-I361 VanDerWaalsContact CB-CB 3.47Å; S350-I361 WeakPolarHBondContact OG-CB 3.4Å; S350-I361 WeakPolarHBondContact OG-CG2 2.99Å; D359-I361 PolarHBondContact O-N 2.91Å; I361-T363 VanDerWaalsContact C-N 3.3Å; I361-Q364 VanDerWaalsContact C-N 3.29Å; I361-Q364 CarbonylContact O-C 3.39Å; I361-Q364 WeakPolarHBondContact O-CA 3.34Å; I361-Q364 WeakPolarHBondContact O-CB 3.49Å; I361-Q364 PolarHBondContact O-N 2.95Å; I361-I365 PolarHBondContact O-N 3.47Å
362C30Very low28.7Very low24 Ų2485.8 Ų85.816%0.16247%0.474CS..Hα-helixtrans-71.6-32.2163.8-138.30000111.3S350 C351 D359 Q364 I365 V366S350-C362 VanDerWaalsContact O-CB 3.27Å; S350-C362 WeakPolarHBondContact O-CB 3.22Å; S350-C362 PolarHBondContact O-N 2.92Å; C351-C362 VanDerWaalsContact CA-CB 3.45Å; C351-C362 WeakPolarHBondContact CA-SG 3.43Å; C351-C362 HydrophobicContact CB-CB 3.77Å; C351-C362 WeakPolarHBondContact CB-SG 3.43Å; C351-C362 VanDerWaalsContact SG-CA 3.52Å; C351-C362 WeakPolarHBondContact SG-CB 3.44Å; C351-C362 CovalentContact SG-SG 2.03Å; C351-C362 PolarHBondContact SG-SG 3.17Å; D359-C362 PolarHBondContact O-N 3.34Å; C362-Q364 PolarHBondContact O-N 3.48Å; C362-I365 CarbonylContact O-C 3.1Å; C362-I365 PolarHBondContact O-N 3.32Å; C362-I365 VanDerWaalsContact O-N 3.16Å; C362-V366 WeakPolarHBondContact O-CA 3.47Å; C362-V366 WeakPolarHBondContact O-CB 3.5Å; C362-V366 VanDerWaalsContact O-CG2 3.26Å; C362-V366 WeakPolarHBondContact O-CG2 3.32Å; C362-V366 PolarHBondContact O-N 3.12Å
363T26.7Very low27.8Very low40 Ų4091.5 Ų91.525%0.24549%0.493CS..Hα-helixtrans-68.4-21.4162.242.20000111.2D359 V360 I361 V367 C368D359-T363 VanDerWaalsContact C-OG1 3.22Å; D359-T363 PolarHBondContact O-N 3.44Å; D359-T363 PolarHBondContact O-OG1 2.97Å; V360-T363 WeakPolarHBondContact CA-OG1 2.89Å; V360-T363 PolarHBondContact N-OG1 3.31Å; I361-T363 VanDerWaalsContact C-N 3.3Å; T363-V367 HydrophobicContact CG2-CB 4.27Å; T363-V367 HydrophobicContact CG2-CG2 3.41Å; T363-V367 VanDerWaalsContact CG2-CG2 3.41Å; T363-V367 CarbonylContact O-C 3.56Å; T363-V367 VanDerWaalsContact O-C 3.29Å; T363-V367 WeakPolarHBondContact O-CA 3.38Å; T363-V367 WeakPolarHBondContact O-CB 3.31Å; T363-V367 PolarHBondContact O-N 3.47Å; T363-C368 PolarHBondContact O-N 3.28Å
364Q28.9Very low27.1Very low78 Ų7893 Ų9336%0.36450%0.499SS..Hα-helixtrans-71.5-33.7163.7-83.1166.1-0.800113.2V360 I361 C362 C368V360-Q364 WeakPolarHBondContact O-CB 3.49Å; V360-Q364 WeakPolarHBondContact O-CG 3.44Å; V360-Q364 PolarHBondContact O-N 3.24Å; I361-Q364 VanDerWaalsContact C-N 3.29Å; I361-Q364 CarbonylContact O-C 3.39Å; I361-Q364 WeakPolarHBondContact O-CA 3.34Å; I361-Q364 WeakPolarHBondContact O-CB 3.49Å; I361-Q364 PolarHBondContact O-N 2.95Å; C362-Q364 PolarHBondContact O-N 3.48Å; Q364-C368 WeakPolarHBondContact O-CB 3.46Å; Q364-C368 PolarHBondContact O-N 2.75Å
365I34.7Very low26.6Very low36 Ų3693.6 Ų93.619%0.18550%0.497CS..Hα-helixtrans-75.9-40.1175.8-66.9171.8000111.3L271 I361 C362L271-I365 HydrophobicContact CD2-CG2 4.3Å; I361-I365 PolarHBondContact O-N 3.47Å; C362-I365 CarbonylContact O-C 3.1Å; C362-I365 PolarHBondContact O-N 3.32Å; C362-I365 VanDerWaalsContact O-N 3.16Å
366V29.6Very low26.2Very low58 Ų5897.1 Ų97.135%0.35250%0.5SS..Hα-helixtrans-95.8-38.6-175-178.30000112.1C362 C369 Y370C362-V366 WeakPolarHBondContact O-CA 3.47Å; C362-V366 WeakPolarHBondContact O-CB 3.5Å; C362-V366 VanDerWaalsContact O-CG2 3.26Å; C362-V366 WeakPolarHBondContact O-CG2 3.32Å; C362-V366 PolarHBondContact O-N 3.12Å; V366-C369 VanDerWaalsContact O-CB 3.25Å; V366-C369 WeakPolarHBondContact O-CB 3.31Å; V366-C369 PolarHBondContact O-N 3.07Å; V366-C369 VanDerWaalsContact O-N 3.14Å; V366-Y370 PolarHBondContact O-N 2.91Å
367V26.9Very low25.9Very low47 Ų4798.6 Ų98.629%0.28551%0.506SS..Hα-helixtrans-86.1-10.6174.2-179.70000113.4T363 C369 Y370 C371T363-V367 HydrophobicContact CG2-CB 4.27Å; T363-V367 HydrophobicContact CG2-CG2 3.41Å; T363-V367 VanDerWaalsContact CG2-CG2 3.41Å; T363-V367 CarbonylContact O-C 3.56Å; T363-V367 VanDerWaalsContact O-C 3.29Å; T363-V367 WeakPolarHBondContact O-CA 3.38Å; T363-V367 WeakPolarHBondContact O-CB 3.31Å; T363-V367 PolarHBondContact O-N 3.47Å; V367-C369 PolarHBondContact O-N 3.12Å; V367-Y370 PolarHBondContact O-N 3.27Å; V367-C371 HydrophobicContact CG1-CB 4.49Å; V367-C371 VanDerWaalsContact CG1-SG 3.53Å; V367-C371 WeakPolarHBondContact O-CB 3.39Å; V367-C371 PolarHBondContact O-N 3.22Å
368C25.3Very low25.7Very low81 Ų81100.4 Ų100.455%0.54752%0.519SS..Hα-helixtrans-63.2-24.3155.1-980000111.7T363 Q364T363-C368 PolarHBondContact O-N 3.28Å; Q364-C368 WeakPolarHBondContact O-CB 3.46Å; Q364-C368 PolarHBondContact O-N 2.75Å
369C28Very low25.5Very low54 Ų5494.4 Ų94.437%0.36551%0.513SS..Hα-helixtrans-75.9-29.4168-69.40000112.9V366 V367V366-C369 VanDerWaalsContact O-CB 3.25Å; V366-C369 WeakPolarHBondContact O-CB 3.31Å; V366-C369 PolarHBondContact O-N 3.07Å; V366-C369 VanDerWaalsContact O-N 3.14Å; V367-C369 PolarHBondContact O-N 3.12Å
370Y24.7Very low25.4Very low120 Ų12096.5 Ų96.547%0.47152%0.524SS..Hα-helixtrans-90.1-26.8-179.2-82.1-83.1000115.5V366 V367 A372 F373V366-Y370 PolarHBondContact O-N 2.91Å; V367-Y370 PolarHBondContact O-N 3.27Å; Y370-A372 PolarHBondContact O-N 2.81Å; Y370-A372 VanDerWaalsContact O-N 3.12Å; Y370-F373 PolarHBondContact O-N 3.4Å
371C22.3Very low25.2Very low111 Ų11199.7 Ų99.775%0.7553%0.534SS*.THydrogen-bonded Turntrans-71.6-3.3178.6-83.60000114.1V367V367-C371 HydrophobicContact CG1-CB 4.49Å; V367-C371 VanDerWaalsContact CG1-SG 3.53Å; V367-C371 WeakPolarHBondContact O-CB 3.39Å; V367-C371 PolarHBondContact O-N 3.22Å
372A23.3Very low24.9Very low46 Ų46101 Ų10138%0.3855%0.55SS..THydrogen-bonded Turntrans-93.2-10.5172.100000114.4Y370Y370-A372 PolarHBondContact O-N 2.81Å; Y370-A372 VanDerWaalsContact O-N 3.12Å
373F22.1Very low24.7Very low142 Ų142105.2 Ų105.262%0.62358%0.579SS**  trans-142.759.6-172.2-92.9-88000114.1Y370 L375Y370-F373 PolarHBondContact O-N 3.4Å; F373-L375 VanDerWaalsContact C-N 3.28Å; F373-L375 HydrophobicContact CD1-CB 4.44Å; F373-L375 HydrophobicContact CD1-CD1 4.48Å; F373-L375 HydrophobicContact CE1-CD1 4.2Å
374I20.7Very low24.5Very low156 Ų156107.9 Ų107.980%0.861%0.605SS**  trans-96.468.6139.9-55.4-176.1000107K376I374-K376 PolarHBondContact O-N 3.47Å
375L22.4Very low24.3Very low139 Ų139114.4 Ų114.473%0.72863%0.632SS**  trans-92.887.1155.3-80169.6000106.2F373 K377F373-L375 VanDerWaalsContact C-N 3.28Å; F373-L375 HydrophobicContact CD1-CB 4.44Å; F373-L375 HydrophobicContact CD1-CD1 4.48Å; F373-L375 HydrophobicContact CE1-CD1 4.2Å; L375-K377 PolarHBondContact O-N 3.05Å; L375-K377 VanDerWaalsContact O-N 3.15Å
376K21.2Very low23.7Very low176 Ų176120.1 Ų120.177%0.76566%0.662SS**  trans-47.1118.6167.2-130173.5-177.9178.60107.7I374 S378I374-K376 PolarHBondContact O-N 3.47Å; K376-S378 PolarHBondContact O-N 3.45Å
377K22.4Very low23.5Very low221 Ų221123 Ų12396%0.96168%0.682SS**  trans-6385.4161.5-90.2-177.8174.2177.30107.7L375L375-K377 PolarHBondContact O-N 3.05Å; L375-K377 VanDerWaalsContact O-N 3.15Å
378S21.7Very low23.3Very low83 Ų83126.6 Ų126.658%0.5870%0.704SS**  trans-149.298.9159.961.80000108.3K376 L380K376-S378 PolarHBondContact O-N 3.45Å; S378-L380 PolarHBondContact O-N 3Å; S378-L380 VanDerWaalsContact O-N 3.07Å
379S20.8Very low23.2Very low110 Ų110126.6 Ų126.677%0.76971%0.71SS**  trans-8.1102.5136156.50000112.5
380L23.9Very low23Very low135 Ų135133.5 Ų133.571%0.70773%0.734SS**  trans174.6134.8134.5-116.779.2000110.3S378S378-L380 PolarHBondContact O-N 3Å; S378-L380 VanDerWaalsContact O-N 3.07Å
381M25.5Very low22.9Very low167 Ų167132.1 Ų132.182%0.82374%0.742SS**  trans80.3129.7151.3-58-70.3177.300119.6
382S22.2Very low23Very low97 Ų97132.5 Ų132.568%0.67874%0.744SS**  trans-55.9167.6174.352.90000115.3
383S24.6Very low22.9Very low113 Ų113138 Ų13879%0.7977%0.767SS**  trans68.475.7149.760.40000118.3
384A23.5Very low23Very low95 Ų95136.5 Ų136.579%0.78577%0.771SS**  trans-14897.6146.500000109.8L386A384-L386 PolarHBondContact O-N 3.17Å
385K25.2Very low23.1Very low216 Ų216137.3 Ų137.394%0.93977%0.769SS**  trans-73.6103.9172.1-72.1176177.1175.50108.2
386L22Very low23.3Very low155 Ų155136.7 Ų136.781%0.81277%0.773SS**  trans-75.1132.5159.4-101107.8000108.8A384 V388A384-L386 PolarHBondContact O-N 3.17Å; L386-V388 PolarHBondContact O-N 3.13Å; L386-V388 VanDerWaalsContact O-N 3.15Å
387P24.7Very low23.7Very low118 Ų118132.7 Ų132.777%0.76676%0.76SS**  trans-69.6113.8179.417.1-12.4000109.1A389P387-A389 VanDerWaalsContact C-N 3.32Å; P387-A389 PolarHBondContact O-N 2.97Å
388V23.6Very low23.9Very low124 Ų124126.5 Ų126.575%0.75276%0.759SS**  trans-63.998.1165.9-179.80000106.6L386 K390L386-V388 PolarHBondContact O-N 3.13Å; L386-V388 VanDerWaalsContact O-N 3.15Å; V388-K390 HydrophobicContact CG1-CG 4.08Å; V388-K390 PolarHBondContact O-N 3.01Å
389A23.1Very low24.8Very low81 Ų81131.9 Ų131.967%0.66977%0.767SS**  trans-61.390.3166.800000107.9P387 S391P387-A389 VanDerWaalsContact C-N 3.32Å; P387-A389 PolarHBondContact O-N 2.97Å; A389-S391 PolarHBondContact O-N 3.49Å
390K23.5Very low25.4Very low198 Ų198134.9 Ų134.986%0.86177%0.773SS**  trans-7357.5165.5-77.6-177.4175.9172.50108.9V388V388-K390 HydrophobicContact CG1-CG 4.08Å; V388-K390 PolarHBondContact O-N 3.01Å
391S23Very low26.2Very low91 Ų91131.5 Ų131.564%0.63676%0.758SS**  trans-91.498.7165.656.50000108.1A389 L393A389-S391 PolarHBondContact O-N 3.49Å; S391-L393 PolarHBondContact O-N 2.92Å
392C24.2Very low27.4Very low119 Ų119131.2 Ų131.280%0.80475%0.752SS**  trans58.151.8149.7-53.30000117.6P394C392-P394 WeakPolarHBondContact O-CD 3.42Å
393L21.8Very low28.8Very low163 Ų163128.7 Ų128.785%0.85374%0.738SS**  trans-73109.5133.7-76.9166.4000105S391 K395S391-L393 PolarHBondContact O-N 2.92Å; L393-K395 PolarHBondContact O-N 2.9Å
394P23.8Very low30.4Very low109 Ų109125.8 Ų125.871%0.70872%0.715SS**  trans-55.1118.9158.722.1-24000104.2C392C392-P394 WeakPolarHBondContact O-CD 3.42Å
395K22.2Very low31.9Very low173 Ų173125.1 Ų125.175%0.75270%0.701SS**  trans-41.6135.4158-73.8179.7176.1179.40104.7L393 N397L393-K395 PolarHBondContact O-N 2.9Å; K395-N397 PolarHBondContact O-N 3.22Å
396P26.8Very low33Very low127 Ų127119.3 Ų119.383%0.82567%0.673SS**  trans-56.993160.324.6-28.4000103.9G398P396-G398 PolarHBondContact O-N 2.95Å
397N30Very low34Very low91 Ų91117.1 Ų117.149%0.48766%0.662SS.*  trans-45.4124.6157.6-73.9-23.4000101.4K395 R399K395-N397 PolarHBondContact O-N 3.22Å; N397-R399 HydrophobicContact CB-CB 4.34Å; N397-R399 HydrophobicContact CB-CG 3.64Å; N397-R399 WeakPolarHBondContact O-CA 3.38Å; N397-R399 WeakPolarHBondContact O-CB 3.45Å; N397-R399 PolarHBondContact O-N 3.39Å
398G26.3Very low34.6Very low92 Ų92113.8 Ų113.895%0.94864%0.641SS**SBendtrans-60.964-178.200000111P396P396-G398 PolarHBondContact O-N 2.95Å
399R40Very low35.2Very low195 Ų195113.5 Ų113.574%0.73664%0.641SS**  trans-109.7132-164.7-83.5-177.2-178.2-174.7-1.8106.1N397 V401N397-R399 HydrophobicContact CB-CB 4.34Å; N397-R399 HydrophobicContact CB-CG 3.64Å; N397-R399 WeakPolarHBondContact O-CA 3.38Å; N397-R399 WeakPolarHBondContact O-CB 3.45Å; N397-R399 PolarHBondContact O-N 3.39Å; R399-V401 PolarHBondContact O-N 3.2Å
400L34.4Very low35.8Very low174 Ų174114.5 Ų114.591%0.91164%0.639SS**  trans-62.399.3-173.3-69.5148.5000109.4K402L400-K402 PolarHBondContact O-N 3.29Å
401V40Very low36.2Very low64 Ų64108.1 Ų108.139%0.38863%0.629SS.*PPolyproline II helixtrans-60.7119.8154.3179.80000105.2H133 R399 A403H133-V401 HydrophobicContact CB-CG1 3.65Å; R399-V401 PolarHBondContact O-N 3.2Å; V401-A403 PolarHBondContact O-N 3.05Å
402K49.9Very low36.6Very low160 Ų160107.9 Ų107.970%0.69663%0.633SS**EExtended strand (participates in β ladder)trans-66.4121.9175.8-74.7-173.6178.4-179.70107.3T134 L400T134-K402 PolarHBondContact N-O 2.63Å; L400-K402 PolarHBondContact O-N 3.29Å
403A51.5Low36.9Very low45 Ų45110.4 Ų110.437%0.37264%0.635SS.*EExtended strand (participates in β ladder)trans-103.1124.7170.800000107.6P131 V132 V401P131-A403 HydrophobicContact CB-CB 3.84Å; V132-A403 CarbonylContact O-C 3.54Å; V132-A403 WeakPolarHBondContact O-CA 3.43Å; V401-A403 PolarHBondContact O-N 3.05Å
404V59.5Low37.3Very low52 Ų52109.7 Ų109.732%0.31563%0.632SS.*EExtended strand (participates in β ladder)trans-84.6120.4165-177.50000106.8I105 L109 V132I105-V404 HydrophobicContact CD1-CG2 4.24Å; I105-V404 HydrophobicContact CG2-CB 3.85Å; I105-V404 HydrophobicContact CG2-CG1 3.81Å; I105-V404 HydrophobicContact CG2-CG2 3.93Å; L109-V404 HydrophobicContact CD1-CG1 4.31Å; V132-V404 PolarHBondContact N-O 2.86Å; V132-V404 PolarHBondContact O-N 3.3Å
405V55.3Low37.6Very low81 Ų81110 Ų11049%0.49164%0.636SS.*EExtended strand (participates in β ladder)trans-108123.5177.7-178.90000107
406W46.6Very low37.8Very low93 Ų93105.5 Ų105.535%0.35263%0.626SS.*  trans-98.5128.1174.9-174.878.3000110.7L109 Q113 G129 P408L109-W406 HydrophobicContact CD1-CB 3.86Å; L109-W406 HydrophobicContact CD1-CG 4.22Å; L109-W406 HydrophobicContact CD2-CB 3.43Å; L109-W406 VanDerWaalsContact CD2-CB 3.43Å; L109-W406 HydrophobicContact CD2-CG 4.36Å; L109-W406 HydrophobicContact CG-CB 4.12Å; Q113-W406 HydrophobicContact CG-CE3 4.2Å; Q113-W406 HydrophobicContact CG-CH2 3.94Å; Q113-W406 HydrophobicContact CG-CZ3 3.59Å; Q113-W406 VanDerWaalsContact NE2-CZ3 3.28Å; G129-W406 WeakPolarHBondContact CA-O 3.41Å; W406-P408 HydrophobicContact CE3-CG 4.17Å; W406-P408 HydrophobicContact CH2-CB 3.28Å; W406-P408 HydrophobicContact CH2-CG 3.5Å; W406-P408 HydrophobicContact CZ2-CB 3.66Å; W406-P408 HydrophobicContact CZ2-CG 4.25Å; W406-P408 HydrophobicContact CZ3-CB 3.81Å; W406-P408 VanDerWaalsContact CZ3-CD 3.46Å; W406-P408 HydrophobicContact CZ3-CG 3.45Å; W406-P408 VanDerWaalsContact CZ3-CG 3.45Å
407N44.6Very low37.9Very low110 Ų110104.7 Ų104.759%0.58862%0.623SS**  trans-117.9120.2166.5-74.4-19.6000107.2
408P35.8Very low37.7Very low48 Ų48106.7 Ų106.731%0.31263%0.634SS.*  trans-60147.2176.15.7-7.5000111.5L126 W406 V410L126-P408 HydrophobicContact CD2-CG 4.21Å; W406-P408 HydrophobicContact CE3-CG 4.17Å; W406-P408 HydrophobicContact CH2-CB 3.28Å; W406-P408 HydrophobicContact CH2-CG 3.5Å; W406-P408 HydrophobicContact CZ2-CB 3.66Å; W406-P408 HydrophobicContact CZ2-CG 4.25Å; W406-P408 HydrophobicContact CZ3-CB 3.81Å; W406-P408 VanDerWaalsContact CZ3-CD 3.46Å; W406-P408 HydrophobicContact CZ3-CG 3.45Å; W406-P408 VanDerWaalsContact CZ3-CG 3.45Å; P408-V410 PolarHBondContact O-N 3.34Å
409P37.1Very low37.7Very low117 Ų117110.8 Ų110.876%0.7663%0.626SS**  trans-61.8128.8164.6-14.828.2000110G411P409-G411 VanDerWaalsContact C-N 3.26Å; P409-G411 PolarHBondContact O-N 3.3Å
410V36Very low37.1Very low103 Ų103108.9 Ų108.962%0.62463%0.63SS**  trans-74.886.7167.6-170.30000106.8L126 P408 A412L126-V410 HydrophobicContact CD1-CG2 3.7Å; L126-V410 HydrophobicContact CD2-CG2 4.01Å; L126-V410 HydrophobicContact CG-CG2 4.42Å; P408-V410 PolarHBondContact O-N 3.34Å; V410-A412 PolarHBondContact O-N 3.44Å
411G32.4Very low36.7Very low63 Ų63107.6 Ų107.665%0.64963%0.629SS**  trans-61.9106.9159.300000106.2P409 M413P409-G411 VanDerWaalsContact C-N 3.26Å; P409-G411 PolarHBondContact O-N 3.3Å; G411-M413 PolarHBondContact O-N 3.35Å
412A30.1Very low35.9Very low87 Ų87109.1 Ų109.172%0.71965%0.648SS**  trans-63.276.5167.200000107.6V410 N414V410-A412 PolarHBondContact O-N 3.44Å; A412-N414 VanDerWaalsContact C-N 3.32Å; A412-N414 PolarHBondContact O-N 2.94Å
413M30.4Very low34.5Very low171 Ų171105 Ų10584%0.84265%0.651SS**  trans-62.5109.1157.4-85.9-178.2170.300104.2G411 C415G411-M413 PolarHBondContact O-N 3.35Å; M413-C415 PolarHBondContact O-N 2.89Å
414N30.6Very low33.4Very low148 Ų148109.8 Ų109.879%0.79168%0.676SS**  trans-49.698.3166.2-85-15.5000106.8A412 S416A412-N414 VanDerWaalsContact C-N 3.32Å; A412-N414 PolarHBondContact O-N 2.94Å; N414-S416 PolarHBondContact O-N 3.34Å
415C30.4Very low31.8Very low117 Ų117112.6 Ų112.679%0.79170%0.697SS**  trans-68.662.5158.1-63.30000106.1M413 S417M413-C415 PolarHBondContact O-N 2.89Å; C415-S417 PolarHBondContact O-N 2.96Å
416S26.8Very low30.2Very low77 Ų77113.5 Ų113.554%0.53871%0.707SS.*  trans-67.8105.9177.1-154.20000105.2N414 D418N414-S416 PolarHBondContact O-N 3.34Å; S416-D418 WeakPolarHBondContact CB-OD2 3.37Å; S416-D418 PolarHBondContact O-N 3.42Å; S416-D418 PolarHBondContact OG-OD2 2.69Å
417S28Very low29.6Very low111 Ų111114.4 Ų114.478%0.77673%0.725SS**  trans-76.460.1169.625.90000107.1C415 K419C415-S417 PolarHBondContact O-N 2.96Å; S417-K419 PolarHBondContact O-N 2.75Å
418D26.7Very low28.8Very low133 Ų133114.2 Ų114.271%0.71174%0.739SS**  trans-77.979.4171.1-77.8-45.4000108.3S416 N420S416-D418 WeakPolarHBondContact CB-OD2 3.37Å; S416-D418 PolarHBondContact O-N 3.42Å; S416-D418 PolarHBondContact OG-OD2 2.69Å; D418-N420 PolarHBondContact O-N 3.26Å
419K26.3Very low28.1Very low178 Ų178116.8 Ų116.877%0.77476%0.758SS**  trans-51.2127.2143.2-68178.4177.11790106.5S417S417-K419 PolarHBondContact O-N 2.75Å
420N25.9Very low27.6Very low154 Ų154116.9 Ų116.982%0.82476%0.761SS**  trans120.271.6163.1-56.4-25.7000114.4D418D418-N420 PolarHBondContact O-N 3.26Å
421V26.5Very low27.1Very low148 Ų148119.2 Ų119.290%0.89777%0.77SS**  trans-140.2119.7132-175.20000108
422A22.6Very low26.6Very low96 Ų96124 Ų12479%0.79378%0.78SS**  trans-68.3145.6176.300000111.8
423G22.4Very low26.3Very low73 Ų73128.8 Ų128.875%0.75378%0.784SS**  trans91.380145.300000117.3
424V27.7Very low25.8Very low146 Ų146127.7 Ų127.789%0.88578%0.78SS**  trans-143.1137.4136.8-169.40000108.9
425S25.2Very low25.4Very low110 Ų110125.6 Ų125.677%0.76978%0.775SS**  trans-52.2144.4-173.644.90000118.1
426S23Very low24.9Very low100 Ų100126 Ų12670%0.69978%0.777SS**  trans-47.9172.1154.8-141.80000113.8
427P32.8Very low24.7Very low112 Ų112128.9 Ų128.973%0.72779%0.791SS**  cis-134.9135.9-4.533.5-13.4000114.6
428A27.2Very low24.5Very low106 Ų106128.7 Ų128.788%0.87679%0.786SS**  trans-15168.2153.800000108.7S430A428-S430 PolarHBondContact O-N 2.92Å
429S22.5Very low24.2Very low103 Ų103128.1 Ų128.172%0.7279%0.787SS**  trans-84.699.2179.4-58.90000110.2
430S26.9Very low24Very low118 Ų118126.6 Ų126.683%0.82579%0.792SS**  trans-134.554.4158.2-62.50000109.5A428 L432A428-S430 PolarHBondContact O-N 2.92Å; S430-L432 PolarHBondContact O-N 2.79Å
431L24.7Very low23.9Very low153 Ų153123.6 Ų123.680%0.80178%0.781SS**  trans-79101.1163.9-81.8161.5000107.4F433L431-F433 HydrophobicContact CB-CE2 4.48Å; L431-F433 WeakPolarHBondContact O-CD2 3.49Å; L431-F433 PolarHBondContact O-N 2.99Å
432L22.8Very low23.7Very low164 Ų164122.5 Ų122.586%0.85978%0.775SS**  trans-6897.9167.3-114123.1000108.2S430 I434S430-L432 PolarHBondContact O-N 2.79Å; L432-I434 PolarHBondContact O-N 3.49Å
433F22.1Very low23.7Very low186 Ų186126.8 Ų126.882%0.81678%0.776SS**  trans-63.7108.4166.6-80.8-94.4000109L431 P435L431-F433 HydrophobicContact CB-CE2 4.48Å; L431-F433 WeakPolarHBondContact O-CD2 3.49Å; L431-F433 PolarHBondContact O-N 2.99Å; F433-P435 WeakPolarHBondContact O-CD 3.19Å
434I21.1Very low24Very low149 Ų149131.1 Ų131.176%0.76478%0.782SS**  trans-87.8116.1160.6-60.9178.6000106.6L432L432-I434 PolarHBondContact O-N 3.49Å
435P22.1Very low23.9Very low104 Ų104133.4 Ų133.468%0.67578%0.783SS**  trans-71.9131.7-174.127.1-31.1000111F433 V437F433-P435 WeakPolarHBondContact O-CD 3.19Å; P435-V437 PolarHBondContact O-N 2.95Å; P435-V437 VanDerWaalsContact O-N 3.09Å
436C19.7Very low23.9Very low124 Ų124133.4 Ų133.484%0.83878%0.783SS**  trans-56.8109.1164.8-69.60000109.3T438C436-T438 PolarHBondContact O-N 3.26Å
437V22Very low24.2Very low138 Ų138134 Ų13484%0.83679%0.785SS**  trans-78.7105.7165.4-179.60000107.6P435P435-V437 PolarHBondContact O-N 2.95Å; P435-V437 VanDerWaalsContact O-N 3.09Å
438T23.5Very low24.1Very low108 Ų108134.5 Ų134.566%0.66379%0.788SS**  trans-67.4125.9170.446.50000110.8C436C436-T438 PolarHBondContact O-N 3.26Å
439T22.1Very low24.1Very low121 Ų121136.2 Ų136.274%0.74279%0.787SS**  trans47105.4140580000118.3
440V22Very low24.3Very low145 Ų145140.5 Ų140.588%0.87980%0.796SS**  trans-109106.5148179.90000108.1
441P22.5Very low24.2Very low91 Ų91137.6 Ų137.659%0.59178%0.784SS**  trans-87145.7162.732.4-26000109.8
442T23.7Very low24.2Very low126 Ų126141.8 Ų141.877%0.77379%0.789SS**  trans138.2130.8131.458.10000114.9
443K22.5Very low24.2Very low185 Ų185145 Ų14580%0.80479%0.792SS**  trans54.3109.6144.1-72.4177.4174.4179.10117.7
444N27.8Very low24.3Very low165 Ų165143.2 Ų143.288%0.88279%0.789SS**  -152.2125.7106.3-100.6-20.3000111.8
445Q26.4Very low24.6Very low193 Ų193144.7 Ų144.790%0.90279%0.793SS**  trans-72.1123.2168.1-67.3168-22.700107.7
446S24.6Very low24.7Very low111 Ų111147 Ų14778%0.77680%0.799SS**  trans-114125.8157.147.30000107.9
447P30.1Very low24.9Very low113 Ų113152 Ų15273%0.73480%0.8SS**  trans-68157.2-171.526.6-33.7000112.9V449P447-V449 PolarHBondContact O-N 3.45Å
448P30.7Very low25.2Very low121 Ų121153.6 Ų153.679%0.78680%0.798SS**  trans-67.8131-174.928.9-36.6000111.9Q450P448-Q450 PolarHBondContact O-N 3.28Å
449V26.3Very low25.6Very low142 Ų142153 Ų15386%0.86180%0.799SS**  trans-70.7108.9174.3178.50000109.1P447 G451P447-V449 PolarHBondContact O-N 3.45Å; V449-G451 VanDerWaalsContact C-N 3.3Å; V449-G451 PolarHBondContact O-N 3.45Å
450Q26.8Very low26.2Very low193 Ų193153 Ų15390%0.90280%0.799SS**  trans-70.783.4167.4-78-178.7-21.300110P448P448-Q450 PolarHBondContact O-N 3.28Å
451G24.8Very low27Very low57 Ų57152 Ų15259%0.58879%0.793SS**  trans-82.5111.5169.700000110.8V449 Y453V449-G451 VanDerWaalsContact C-N 3.3Å; V449-G451 PolarHBondContact O-N 3.45Å; G451-Y453 PolarHBondContact O-N 3.17Å
452R24.6Very low27.8Very low241 Ų241150.2 Ų150.291%0.90978%0.782SS**  trans-49.5125.9178.2-68.7174.9-179.9172.2-1.1112I454R452-I454 PolarHBondContact O-N 3.4Å
453Y22.6Very low28.7Very low231 Ų231149.9 Ų149.991%0.90678%0.782SS**  trans-62.6112.9166.2-81.5-94.5000109.3G451 Q455G451-Y453 PolarHBondContact O-N 3.17Å; Y453-Q455 PolarHBondContact O-N 3.18Å
454I24.6Very low30.2Very low149 Ų149146.7 Ų146.776%0.76477%0.774SS**  trans-77.3104.9166.8-63.2173.5000106.3R452 L456R452-I454 PolarHBondContact O-N 3.4Å; I454-L456 PolarHBondContact O-N 2.92Å; I454-L456 VanDerWaalsContact O-N 3.08Å
455Q26.8Very low31.2Very low181 Ų181143.4 Ų143.485%0.84678%0.779SS**  trans-69.4101.3172.7-138.7176.97.100107.7Y453 R457Y453-Q455 PolarHBondContact O-N 3.18Å; Q455-R457 VanDerWaalsContact C-N 3.34Å; Q455-R457 PolarHBondContact O-N 3.07Å
456L24.4Very low32.1Very low151 Ų151139.8 Ų139.879%0.79176%0.762SS**  trans-65.794.4171.7-81.8156.1000108.5I454 E458I454-L456 PolarHBondContact O-N 2.92Å; I454-L456 VanDerWaalsContact O-N 3.08Å; L456-E458 VanDerWaalsContact C-N 3.3Å; L456-E458 PolarHBondContact O-N 3.47Å; L456-E458 VanDerWaalsContact O-N 3.09Å
457R24.9Very low33.2Very low231 Ų231137.1 Ų137.187%0.87275%0.752SS**  trans-71.889.2162.1-109.4-177.3-178.8178.31107.3Q455 S459Q455-R457 VanDerWaalsContact C-N 3.34Å; Q455-R457 PolarHBondContact O-N 3.07Å; R457-S459 PolarHBondContact O-N 3.2Å
458E27.9Very low34.4Very low170 Ų170136.9 Ų136.979%0.79475%0.753SS**  trans-74.883.4159.7-79.3-172.8161.800108.4L456 T460L456-E458 VanDerWaalsContact C-N 3.3Å; L456-E458 PolarHBondContact O-N 3.47Å; L456-E458 VanDerWaalsContact O-N 3.09Å; E458-T460 VanDerWaalsContact C-N 3.28Å; E458-T460 PolarHBondContact O-N 2.92Å
459S31.5Very low35.9Very low97 Ų97134.9 Ų134.968%0.67874%0.742SS**  trans-84.474.7163.859.40000108.6R457 V461R457-S459 PolarHBondContact O-N 3.2Å; S459-V461 PolarHBondContact O-N 2.87Å
460T35.4Very low37.7Very low120 Ų120129.9 Ų129.974%0.73671%0.713SS**  trans-78.699.8164.945.10000108.5E458 C462E458-T460 VanDerWaalsContact C-N 3.28Å; E458-T460 PolarHBondContact O-N 2.92Å; T460-C462 PolarHBondContact O-N 2.73Å
461V37.8Very low39.3Very low124 Ų124122 Ų12275%0.75268%0.679SS**  trans-62.6114.6177.7179.20000109.5S459S459-V461 PolarHBondContact O-N 2.87Å
462C39.3Very low41.3Very low53 Ų53124.6 Ų124.636%0.35868%0.679SS.*  trans-75.5128.6162.9-64.80000107.6T460 N464 C471T460-C462 PolarHBondContact O-N 2.73Å; C462-N464 PolarHBondContact O-N 3.35Å; C462-N464 VanDerWaalsContact O-N 3.15Å; C462-C471 PolarHBondContact SG-SG 3.11Å
463P43.8Very low43.7Very low120 Ų120118.3 Ų118.378%0.77966%0.66SS**SBendtrans-68.2-16.3-167.9-21.332.7000115.7
464N52.2Low46.4Very low118 Ų118111.8 Ų111.863%0.63164%0.64SS**SBendtrans-127.2126.1-178.5-59.6-18.7000106.5C462 E466C462-N464 PolarHBondContact O-N 3.35Å; C462-N464 VanDerWaalsContact O-N 3.15Å; N464-E466 PolarHBondContact O-N 2.99Å
465G49.1Very low49Very low96 Ų96110.5 Ų110.599%0.9963%0.629SS**  trans-63.639.3-169.900000116.8
466E45.9Very low51.3Low117 Ų117105.7 Ų105.755%0.54761%0.609SS.*  trans-85.3143.5171.1-59.5-177.4177.200110.1N464 S470N464-E466 PolarHBondContact O-N 2.99Å; E466-S470 VanDerWaalsContact CB-OG 3.29Å; E466-S470 WeakPolarHBondContact CB-OG 3.35Å; E466-S470 PolarHBondContact OE2-OG 3.28Å
467G48.9Very low54.2Low55 Ų55104.7 Ų104.757%0.56760%0.598SS**  trans-53.6146.1-175.400000112.7S469 S470G467-S469 PolarHBondContact O-N 3.31Å; G467-S470 PolarHBondContact O-N 3.04Å; G467-S470 PolarHBondContact O-OG 3.12Å
468S55.2Low57.2Low107 Ų107101 Ų10175%0.74859%0.588SS**Hα-helixtrans-49.4-26.5-177.260.10000114.6L472S468-L472 PolarHBondContact O-N 3.01Å
469S61.3Low59.8Low80 Ų8098.2 Ų98.256%0.55958%0.578SS**Hα-helixtrans-66.2-46.9174.5-161.90000113.3G467 C471 L472 E473G467-S469 PolarHBondContact O-N 3.31Å; S469-C471 PolarHBondContact O-N 3.45Å; S469-L472 PolarHBondContact O-N 3.32Å; S469-E473 PolarHBondContact O-N 3.18Å; S469-E473 VanDerWaalsContact O-N 3.1Å
470S64.7Low62.4Low37 Ų3799.2 Ų99.226%0.25957%0.572SS.*Hα-helixtrans-67.8-38.4-177.576.20000111.2E466 G467 L472 E473 D474E466-S470 VanDerWaalsContact CB-OG 3.29Å; E466-S470 WeakPolarHBondContact CB-OG 3.35Å; E466-S470 PolarHBondContact OE2-OG 3.28Å; G467-S470 PolarHBondContact O-N 3.04Å; G467-S470 PolarHBondContact O-OG 3.12Å; S470-L472 VanDerWaalsContact C-N 3.31Å; S470-L472 PolarHBondContact O-N 3.45Å; S470-E473 PolarHBondContact O-N 3.13Å; S470-D474 PolarHBondContact O-N 2.98Å
471C59.9Low65.1Low28 Ų2896.6 Ų96.619%0.18956%0.562CS.*Hα-helixtrans-65.6-34.2178.9-1740000112.7C462 S469 K475C462-C471 PolarHBondContact SG-SG 3.11Å; S469-C471 PolarHBondContact O-N 3.45Å; C471-K475 WeakPolarHBondContact O-CG 3.34Å; C471-K475 PolarHBondContact O-N 3.41Å
472L66.1Low67.5Low110 Ų11096.2 Ų96.258%0.57655%0.553SS**Hα-helixtrans-71.1-42.3175.3-162.673.4000110.8S468 S469 S470 D474 K475 I476S468-L472 PolarHBondContact O-N 3.01Å; S469-L472 PolarHBondContact O-N 3.32Å; S470-L472 VanDerWaalsContact C-N 3.31Å; S470-L472 PolarHBondContact O-N 3.45Å; L472-D474 PolarHBondContact O-N 2.94Å; L472-K475 PolarHBondContact O-N 3.21Å; L472-I476 HydrophobicContact CG-CD1 4.2Å; L472-I476 VanDerWaalsContact O-CG1 3.28Å; L472-I476 WeakPolarHBondContact O-CG1 3.43Å; L472-I476 PolarHBondContact O-N 3.28Å
473E75.7Confident69.5Low109 Ų10997.7 Ų97.751%0.50956%0.557SS.*Hα-helixtrans-60.6-42.5175.9-76.6-179.8-17900112.5S469 S470 K475 I476 K477S469-E473 PolarHBondContact O-N 3.18Å; S469-E473 VanDerWaalsContact O-N 3.1Å; S470-E473 PolarHBondContact O-N 3.13Å; E473-K475 PolarHBondContact O-N 3.45Å; E473-I476 PolarHBondContact O-N 3.35Å; E473-K477 WeakPolarHBondContact O-CG 3.29Å; E473-K477 PolarHBondContact O-N 2.9Å
474D79.1Confident71.7Confident94 Ų9497.3 Ų97.350%0.50354%0.544SS..Hα-helixtrans-65.3-38.8177.2-85.9-8.1000112.6S470 L472 I476 K477 K478S470-D474 PolarHBondContact O-N 2.98Å; L472-D474 PolarHBondContact O-N 2.94Å; D474-I476 VanDerWaalsContact C-N 3.34Å; D474-K477 PolarHBondContact O-N 3.24Å; D474-K478 WeakPolarHBondContact O-CB 3.46Å; D474-K478 PolarHBondContact O-N 3.27Å
475K79Confident73.6Confident123 Ų12398.1 Ų98.154%0.53554%0.542SS..Hα-helixtrans-65-39.8174.2-76.6175.6-178.6169.70111.6C471 L472 E473 K478 L479C471-K475 WeakPolarHBondContact O-CG 3.34Å; C471-K475 PolarHBondContact O-N 3.41Å; L472-K475 PolarHBondContact O-N 3.21Å; E473-K475 PolarHBondContact O-N 3.45Å; K475-K478 PolarHBondContact O-N 3.4Å; K475-L479 WeakPolarHBondContact O-CG 3.34Å; K475-L479 PolarHBondContact O-N 3.47Å
476I75.5Confident75.1Confident80 Ų8098 Ų9841%0.4152%0.519SS..Hα-helixtrans-64.1-49.5176.4-69.8166.2000109.9L472 E473 D474 K478 L479 E480L472-I476 HydrophobicContact CG-CD1 4.2Å; L472-I476 VanDerWaalsContact O-CG1 3.28Å; L472-I476 WeakPolarHBondContact O-CG1 3.43Å; L472-I476 PolarHBondContact O-N 3.28Å; E473-I476 PolarHBondContact O-N 3.35Å; D474-I476 VanDerWaalsContact C-N 3.34Å; I476-K478 VanDerWaalsContact C-N 3.29Å; I476-K478 PolarHBondContact O-N 2.9Å; I476-L479 PolarHBondContact O-N 3.49Å; I476-L479 VanDerWaalsContact O-N 3.12Å; I476-E480 HydrophobicContact CG2-CG 4.38Å; I476-E480 WeakPolarHBondContact O-CG 3.36Å; I476-E480 PolarHBondContact O-N 3.35Å
477K85.8Confident77.2Confident130 Ų13098.7 Ų98.757%0.56552%0.516SS*.Hα-helixtrans-57-41.4176.6-78.6178.8179.8168.90112.6E473 D474 E480 A481E473-K477 WeakPolarHBondContact O-CG 3.29Å; E473-K477 PolarHBondContact O-N 2.9Å; D474-K477 PolarHBondContact O-N 3.24Å; K477-E480 PolarHBondContact O-N 2.85Å; K477-A481 WeakPolarHBondContact O-CB 3.41Å; K477-A481 PolarHBondContact O-N 3.33Å
478K87.6Confident79Confident153 Ų15398.3 Ų98.367%0.66551%0.508SS*.Hα-helixtrans-65.9-39.3178.5-163173.3-175.6174.10112.2D474 K475 I476 E482D474-K478 WeakPolarHBondContact O-CB 3.46Å; D474-K478 PolarHBondContact O-N 3.27Å; K475-K478 PolarHBondContact O-N 3.4Å; I476-K478 VanDerWaalsContact C-N 3.29Å; I476-K478 PolarHBondContact O-N 2.9Å; K478-E482 PolarHBondContact O-N 3.33Å; K478-E482 VanDerWaalsContact O-N 3.16Å
479L81.8Confident80.5Confident111 Ų11197.7 Ų97.758%0.58149%0.493SS*.Hα-helixtrans-68.5-38.7175.3-78.5165.5000112.3K475 I476 E482 L483K475-L479 WeakPolarHBondContact O-CG 3.34Å; K475-L479 PolarHBondContact O-N 3.47Å; I476-L479 PolarHBondContact O-N 3.49Å; I476-L479 VanDerWaalsContact O-N 3.12Å; L479-E482 PolarHBondContact O-N 2.88Å; L479-L483 WeakPolarHBondContact O-CB 3.1Å; L479-L483 PolarHBondContact O-N 3.01Å
480E87.5Confident81.1Confident118 Ų11898.6 Ų98.655%0.55149%0.492SS*.Hα-helixtrans-64.3-41.3175.7-73.4178.1161.100111.6I476 K477 L483 E484I476-E480 HydrophobicContact CG2-CG 4.38Å; I476-E480 WeakPolarHBondContact O-CG 3.36Å; I476-E480 PolarHBondContact O-N 3.35Å; K477-E480 PolarHBondContact O-N 2.85Å; E480-L483 PolarHBondContact O-N 2.87Å; E480-E484 PolarHBondContact O-N 3.46Å
481A91Very high82.1Confident65 Ų65103.1 Ų103.154%0.53750%0.503SS..Hα-helixtrans-63.7-40.6175.500000112.9K477 L483 E484 K485K477-A481 WeakPolarHBondContact O-CB 3.41Å; K477-A481 PolarHBondContact O-N 3.33Å; A481-L483 VanDerWaalsContact C-N 3.35Å; A481-E484 PolarHBondContact O-N 2.85Å; A481-K485 PolarHBondContact O-N 2.99Å; A481-K485 VanDerWaalsContact O-N 3.13Å
482E88.4Confident83.3Confident117 Ų117104.4 Ų104.455%0.54752%0.516SS..Hα-helixtrans-64.8-38173.8-84.7-173.7158.600112.4K478 L479 K485 L486K478-E482 PolarHBondContact O-N 3.33Å; K478-E482 VanDerWaalsContact O-N 3.16Å; L479-E482 PolarHBondContact O-N 2.88Å; E482-K485 PolarHBondContact O-N 3.31Å; E482-L486 PolarHBondContact O-N 3.38Å; E482-L486 VanDerWaalsContact O-N 3.08Å
483L81.6Confident83.6Confident84 Ų84104 Ų10444%0.4451%0.514SS..Hα-helixtrans-66.8-40.3178.5-175.563.3000112.1L479 E480 A481 L486 R487L479-L483 WeakPolarHBondContact O-CB 3.1Å; L479-L483 PolarHBondContact O-N 3.01Å; E480-L483 PolarHBondContact O-N 2.87Å; A481-L483 VanDerWaalsContact C-N 3.35Å; L483-L486 PolarHBondContact O-N 3.23Å; L483-R487 WeakPolarHBondContact O-CG 3.48Å; L483-R487 PolarHBondContact O-N 3.29Å
484E90.7Very high83.1Confident112 Ų112105.3 Ų105.352%0.52352%0.52SS..Hα-helixtrans-59.6-45.1172.5-86.7-86.6119.400111.6E480 A481 L486 R487 A488E480-E484 PolarHBondContact O-N 3.46Å; A481-E484 PolarHBondContact O-N 2.85Å; E484-L486 PolarHBondContact O-N 2.93Å; E484-R487 PolarHBondContact O-N 3.26Å; E484-A488 PolarHBondContact O-N 3.34Å
485K91.4Very high83Confident135 Ų135106.4 Ų106.459%0.58752%0.523SS*.Hα-helixtrans-59-47.1176.7-172.9-176.6174.6-172.70112A481 E482 R487 A488 E489A481-K485 PolarHBondContact O-N 2.99Å; A481-K485 VanDerWaalsContact O-N 3.13Å; E482-K485 PolarHBondContact O-N 3.31Å; K485-R487 VanDerWaalsContact C-N 3.31Å; K485-R487 PolarHBondContact O-N 3.03Å; K485-A488 WeakPolarHBondContact O-CB 3.42Å; K485-A488 PolarHBondContact O-N 2.72Å; K485-A488 VanDerWaalsContact O-N 3.17Å; K485-E489 WeakPolarHBondContact CE-OE1 3.5Å; K485-E489 PolarHBondContact O-N 2.62Å
486L79.6Confident82.8Confident94 Ų94107 Ų10749%0.49253%0.528SS..Hα-helixtrans-65.5-31.7178.2-75.1166000113.2E482 L483 E484 N490E482-L486 PolarHBondContact O-N 3.38Å; E482-L486 VanDerWaalsContact O-N 3.08Å; L483-L486 PolarHBondContact O-N 3.23Å; E484-L486 PolarHBondContact O-N 2.93Å; L486-N490 PolarHBondContact O-N 2.89Å; L486-N490 VanDerWaalsContact O-N 3.11Å; L486-N490 PolarHBondContact O-ND2 3.12Å; L486-N490 VanDerWaalsContact O-ND2 3.12Å
487R90.1Very high81.8Confident130 Ų130110 Ų11049%0.49154%0.544SS..Hα-helixtrans-69.6-38.2172.9-75.6172.9174.5167.8-0.3111.6L483 E484 K485 R491L483-R487 WeakPolarHBondContact O-CG 3.48Å; L483-R487 PolarHBondContact O-N 3.29Å; E484-R487 PolarHBondContact O-N 3.26Å; K485-R487 VanDerWaalsContact C-N 3.31Å; K485-R487 PolarHBondContact O-N 3.03Å; R487-R491 WeakPolarHBondContact O-CG 3.38Å; R487-R491 PolarHBondContact O-N 3.3Å; R487-R491 VanDerWaalsContact O-N 3.13Å; R487-R491 PolarHBondContact O-NE 3.01Å
488A88.3Confident80.8Confident48 Ų48112 Ų11240%0.39756%0.556SS.*Hα-helixtrans-64.7-45.3174.500000111.9E484 K485 N490 R491 A492E484-A488 PolarHBondContact O-N 3.34Å; K485-A488 WeakPolarHBondContact O-CB 3.42Å; K485-A488 PolarHBondContact O-N 2.72Å; K485-A488 VanDerWaalsContact O-N 3.17Å; A488-N490 PolarHBondContact O-N 3.37Å; A488-R491 PolarHBondContact O-N 3.02Å; A488-A492 PolarHBondContact O-N 3.46Å
489E86.3Confident79.8Confident94 Ų94113 Ų11344%0.43956%0.559SS.*Hα-helixtrans-60.6-42.1176.3-73.9173.3-176.800112.3K485 R491 A492 L493K485-E489 WeakPolarHBondContact CE-OE1 3.5Å; K485-E489 PolarHBondContact O-N 2.62Å; E489-R491 PolarHBondContact O-N 2.98Å; E489-A492 PolarHBondContact O-N 3.02Å; E489-L493 PolarHBondContact O-N 3.47Å
490N72.7Confident78Confident99 Ų99110.4 Ų110.453%0.52956%0.555SS.*Hα-helixtrans-63.1-38.9174.7-92.9-67.7000113.2L486 A488 L493 Q494L486-N490 PolarHBondContact O-N 2.89Å; L486-N490 VanDerWaalsContact O-N 3.11Å; L486-N490 PolarHBondContact O-ND2 3.12Å; L486-N490 VanDerWaalsContact O-ND2 3.12Å; A488-N490 PolarHBondContact O-N 3.37Å; N490-L493 PolarHBondContact O-N 2.86Å; N490-Q494 WeakPolarHBondContact O-CG 3.48Å; N490-Q494 PolarHBondContact O-N 3.3Å
491R85.9Confident75.9Confident132 Ų132109.9 Ų109.950%0.49856%0.561SS.*Hα-helixtrans-66-40.9176.5-75.7-177.7-72.6-135.71.3111.4R487 A488 E489 Q494 M495R487-R491 WeakPolarHBondContact O-CG 3.38Å; R487-R491 PolarHBondContact O-N 3.3Å; R487-R491 VanDerWaalsContact O-N 3.13Å; R487-R491 PolarHBondContact O-NE 3.01Å; A488-R491 PolarHBondContact O-N 3.02Å; E489-R491 PolarHBondContact O-N 2.98Å; R491-Q494 PolarHBondContact O-N 3.48Å; R491-M495 WeakPolarHBondContact O-CG 3.34Å; R491-M495 PolarHBondContact O-N 3.16Å; R491-M495 VanDerWaalsContact O-N 3.09Å
492A84.7Confident73.6Confident55 Ų55112 Ų11246%0.45557%0.572SS.*Hα-helixtrans-61.4-46.7175.600000111.6A488 E489 Q494 M495 E496A488-A492 PolarHBondContact O-N 3.46Å; E489-A492 PolarHBondContact O-N 3.02Å; A492-Q494 VanDerWaalsContact C-N 3.32Å; A492-Q494 PolarHBondContact O-N 3.03Å; A492-M495 PolarHBondContact O-N 2.94Å; A492-M495 VanDerWaalsContact O-N 3.15Å; A492-E496 PolarHBondContact O-N 3Å
493L72.5Confident71.3Confident102 Ų102112.7 Ų112.753%0.53458%0.584SS.*Hα-helixtrans-60.1-38.4175.9-82.7162000112.8E489 N490 E496 L497E489-L493 PolarHBondContact O-N 3.47Å; N490-L493 PolarHBondContact O-N 2.86Å; L493-E496 PolarHBondContact O-N 3.16Å; L493-L497 PolarHBondContact O-N 3.17Å
494Q66.7Low69.1Low135 Ų135117 Ų11763%0.63160%0.602SS**Hα-helixtrans-66.5-37.7175.6-77.8-173.8-15.700112.7N490 R491 A492 L497 Q498N490-Q494 WeakPolarHBondContact O-CG 3.48Å; N490-Q494 PolarHBondContact O-N 3.3Å; R491-Q494 PolarHBondContact O-N 3.48Å; A492-Q494 VanDerWaalsContact C-N 3.32Å; A492-Q494 PolarHBondContact O-N 3.03Å; Q494-L497 PolarHBondContact O-N 3.43Å; Q494-Q498 PolarHBondContact O-N 3.49Å; Q494-Q498 VanDerWaalsContact O-N 3.12Å
495M77Confident66.1Low117 Ų117120.3 Ų120.358%0.57662%0.617SS**Hα-helixtrans-68.6-38.9175-69-174.9-164.600112R491 A492 L497 Q498 K499R491-M495 WeakPolarHBondContact O-CG 3.34Å; R491-M495 PolarHBondContact O-N 3.16Å; R491-M495 VanDerWaalsContact O-N 3.09Å; A492-M495 PolarHBondContact O-N 2.94Å; A492-M495 VanDerWaalsContact O-N 3.15Å; M495-L497 VanDerWaalsContact C-N 3.32Å; M495-Q498 PolarHBondContact O-N 3.17Å; M495-K499 WeakPolarHBondContact O-CG 3.42Å; M495-K499 PolarHBondContact O-N 3.05Å
496E74.2Confident63.1Low135 Ų135119.6 Ų119.663%0.63163%0.626SS**Hα-helixtrans-62.6-40.3172.7-76.8-170.9158.700111.7A492 L493 Q498 K499 A500A492-E496 PolarHBondContact O-N 3Å; L493-E496 PolarHBondContact O-N 3.16Å; E496-Q498 VanDerWaalsContact C-N 3.27Å; E496-Q498 PolarHBondContact O-N 3.32Å; E496-K499 CarbonylContact O-C 3.5Å; E496-K499 PolarHBondContact O-N 3.37Å; E496-K499 VanDerWaalsContact O-N 3.15Å; E496-A500 PolarHBondContact O-N 2.97Å
497L55Low60.9Low143 Ų143121.1 Ų121.175%0.74964%0.64SS**Hα-helixtrans-64.1-32.8177.1-136.497.3000112.7L493 Q494 M495L493-L497 PolarHBondContact O-N 3.17Å; Q494-L497 PolarHBondContact O-N 3.43Å; M495-L497 VanDerWaalsContact C-N 3.32Å
498Q64.3Low58Low174 Ų174122.6 Ų122.681%0.81366%0.657SS**Hα-helixtrans-76.3-30.5174.2-76.3-175.6-15.700112.9Q494 M495 E496Q494-Q498 PolarHBondContact O-N 3.49Å; Q494-Q498 VanDerWaalsContact O-N 3.12Å; M495-Q498 PolarHBondContact O-N 3.17Å; E496-Q498 VanDerWaalsContact C-N 3.27Å; E496-Q498 PolarHBondContact O-N 3.32Å
499K65.9Low55Low172 Ų172128.4 Ų128.475%0.74868%0.678SS**Hα-helixtrans-79.6-18.3175.9-76.3-177.8-179.7-179.50113.3M495 E496 P501M495-K499 WeakPolarHBondContact O-CG 3.42Å; M495-K499 PolarHBondContact O-N 3.05Å; E496-K499 CarbonylContact O-C 3.5Å; E496-K499 PolarHBondContact O-N 3.37Å; E496-K499 VanDerWaalsContact O-N 3.15Å; K499-P501 WeakPolarHBondContact O-CD 3.33Å
500A44.3Very low52Low58 Ų58133.5 Ų133.548%0.47970%0.702SS.*SBendtrans-58.2108.8173.100000107.7E496 S502E496-A500 PolarHBondContact O-N 2.97Å; A500-S502 PolarHBondContact O-N 3.43Å
501P43.4Very low49.6Very low107 Ų107134.5 Ų134.570%0.69571%0.712SS**  trans-55.6137.1179.721.6-30000107.4K499 V503K499-P501 WeakPolarHBondContact O-CD 3.33Å; P501-V503 PolarHBondContact O-N 3.49Å
502S43.1Very low46.5Very low108 Ų108135.5 Ų135.576%0.75573%0.727SS**  trans-44.1107.1171.751.40000107.3A500 Q504A500-S502 PolarHBondContact O-N 3.43Å; S502-Q504 VanDerWaalsContact C-N 3.34Å; S502-Q504 PolarHBondContact O-N 2.96Å
503V40.6Very low43.5Very low132 Ų132139.5 Ų139.580%0.875%0.745SS**  trans-55.1104-175.31740000105.8P501 E505P501-V503 PolarHBondContact O-N 3.49Å; V503-E505 PolarHBondContact O-N 3.15Å
504Q34Very low41Very low176 Ų176140 Ų14082%0.82276%0.756SS**PPolyproline II helixtrans-59.1126.7172.1-78.3177.9-39.700105.9S502S502-Q504 VanDerWaalsContact C-N 3.34Å; S502-Q504 PolarHBondContact O-N 2.96Å
505E27.4Very low38.9Very low180 Ų180144.3 Ų144.384%0.84177%0.767SS**PPolyproline II helixtrans-50126.3-179.8-75.1178.814600109.2V503 V507V503-E505 PolarHBondContact O-N 3.15Å; E505-V507 PolarHBondContact O-N 3.15Å; E505-V507 VanDerWaalsContact O-N 3.12Å
506P30Very low36.3Very low120 Ų120145 Ų14578%0.77978%0.779SS**PPolyproline II helixtrans-60.8122.1178.522.9-30.5000109N508P506-N508 PolarHBondContact O-N 3.32Å
507V33Very low34Very low127 Ų127147.6 Ų147.677%0.7779%0.789SS**PPolyproline II helixtrans-50.4124.5170.7174.50000109.2E505 M509E505-V507 PolarHBondContact O-N 3.15Å; E505-V507 VanDerWaalsContact O-N 3.12Å; V507-M509 PolarHBondContact O-N 3.09Å
508N28.5Very low32.5Very low160 Ų160144.4 Ų144.486%0.85678%0.779SS**  trans7.782.9159.7-70.4-17.8000115.3P506P506-N508 PolarHBondContact O-N 3.32Å
509M25.6Very low30.6Very low170 Ų170144.1 Ų144.184%0.83778%0.783SS**  trans-95.2113.2151.1-76.5-174.4-177.100106.6V507 V511V507-M509 PolarHBondContact O-N 3.09Å; M509-V511 VanDerWaalsContact C-N 3.27Å; M509-V511 HydrophobicContact CB-CG2 4.48Å; M509-V511 PolarHBondContact O-N 2.91Å
510E22.8Very low28.6Very low201 Ų201143 Ų14394%0.93979%0.785SS**  trans-53.195.8160.5-79.8173.3136.600107.6
511V22.6Very low27.8Very low121 Ų121148 Ų14873%0.73379%0.793SS**  trans-89.5110.8169.2-176.80000105.9M509 V513M509-V511 VanDerWaalsContact C-N 3.27Å; M509-V511 HydrophobicContact CB-CG2 4.48Å; M509-V511 PolarHBondContact O-N 2.91Å; V511-V513 PolarHBondContact O-N 2.72Å
512D21.5Very low27.2Very low152 Ų152148.8 Ų148.881%0.81379%0.791SS**  trans-35.9124.4168.9-94.1-39000110.5C514D512-C514 VanDerWaalsContact C-N 3.31Å; D512-C514 PolarHBondContact O-N 3.19Å
513V22.2Very low26.5Very low139 Ų139148.9 Ų148.984%0.84278%0.782SS**  trans-6295.2178.3179.40000107.6V511 R515V511-V513 PolarHBondContact O-N 2.72Å; V513-R515 PolarHBondContact O-N 2.81Å; V513-R515 VanDerWaalsContact O-N 3.12Å
514C20.1Very low26.2Very low114 Ų114144 Ų14477%0.7775%0.754SS**  trans-53121171.9-800000109.3D512D512-C514 VanDerWaalsContact C-N 3.31Å; D512-C514 PolarHBondContact O-N 3.19Å
515R20.7Very low26.3Very low225 Ų225137.7 Ų137.785%0.84973%0.726SS**  trans-42.1138.4174.3-66.8174.8177.1161.3-2111.6V513 F517V513-R515 PolarHBondContact O-N 2.81Å; V513-R515 VanDerWaalsContact O-N 3.12Å; R515-F517 PolarHBondContact O-N 3.43Å
516P24.2Very low26.5Very low130 Ų130129.4 Ų129.484%0.84469%0.688SS**  trans-60122.8173.123.4-29.7000109.5S518P516-S518 PolarHBondContact O-N 3.07Å
517F24.2Very low26.6Very low191 Ų191126 Ų12684%0.83868%0.675SS**  trans-61.2126175.9-94.7-98.1000111.1R515R515-F517 PolarHBondContact O-N 3.43Å
518S23.8Very low27Very low75 Ų75124.4 Ų124.452%0.52466%0.659SS.*  trans58.7108.6149.5165.10000117.4P516 N520P516-S518 PolarHBondContact O-N 3.07Å; S518-N520 PolarHBondContact O-N 3.3Å
519D25Very low27.3Very low168 Ų168118.5 Ų118.590%0.89863%0.627SS**SBendtrans-60.314.8177.2-61.7-48.5000117.2
520N24.2Very low27.5Very low149 Ų149112.8 Ų112.880%0.79761%0.612SS**  trans-104.629.2-178.1-78.1-10.8000113.8S518 D522S518-N520 PolarHBondContact O-N 3.3Å; N520-D522 PolarHBondContact O-N 3.26Å
521Y26.3Very low28Very low164 Ų164107.3 Ų107.364%0.64359%0.585SS**  trans-81.7110.8167.2-83.8-82.4000110.1L523Y521-L523 VanDerWaalsContact C-N 3.28Å; Y521-L523 PolarHBondContact O-N 2.9Å
522D31.4Very low28.5Very low123 Ų123104.1 Ų104.166%0.65857%0.568SS**  trans-64.794.5164.6-167.9-21.1000108.3N520 S524N520-D522 PolarHBondContact O-N 3.26Å; D522-S524 VanDerWaalsContact CG-OG 3.26Å; D522-S524 PolarHBondContact O-N 3.28Å; D522-S524 WeakPolarHBondContact OD1-CB 3.49Å; D522-S524 PolarHBondContact OD1-N 3.12Å; D522-S524 VanDerWaalsContact OD1-N 3.08Å; D522-S524 PolarHBondContact OD1-OG 2.79Å
523L28.7Very low29Very low109 Ų109102.9 Ų102.957%0.57156%0.561SS**THydrogen-bonded Turntrans-63.511.2176.3-80157.3000112.3Y521 L525 A526 G527Y521-L523 VanDerWaalsContact C-N 3.28Å; Y521-L523 PolarHBondContact O-N 2.9Å; L523-L525 PolarHBondContact O-N 3.29Å; L523-A526 HydrophobicContact CB-CB 4.24Å; L523-A526 HydrophobicContact CD2-CB 3.67Å; L523-A526 CarbonylContact O-C 3.6Å; L523-A526 VanDerWaalsContact O-CA 3.25Å; L523-A526 WeakPolarHBondContact O-CA 3.5Å; L523-A526 VanDerWaalsContact O-CB 3.22Å; L523-A526 WeakPolarHBondContact O-CB 3.47Å; L523-A526 PolarHBondContact O-N 3.49Å; L523-G527 PolarHBondContact O-N 3.38Å
524S35.1Very low29.8Very low31 Ų3199.8 Ų99.822%0.21755%0.546CS..Hα-helixtrans-58.1-32.6175.448.10000113.3S308 D522 A526 G527 Q528S308-S524 WeakPolarHBondContact CB-OG 3.22Å; S308-S524 PolarHBondContact OG-OG 2.72Å; D522-S524 VanDerWaalsContact CG-OG 3.26Å; D522-S524 PolarHBondContact O-N 3.28Å; D522-S524 WeakPolarHBondContact OD1-CB 3.49Å; D522-S524 PolarHBondContact OD1-N 3.12Å; D522-S524 VanDerWaalsContact OD1-N 3.08Å; D522-S524 PolarHBondContact OD1-OG 2.79Å; S524-A526 VanDerWaalsContact C-N 3.28Å; S524-A526 PolarHBondContact O-N 3.06Å; S524-G527 PolarHBondContact O-N 3.13Å; S524-Q528 WeakPolarHBondContact O-CB 3.38Å; S524-Q528 VanDerWaalsContact O-CG 3.23Å; S524-Q528 WeakPolarHBondContact O-CG 3.39Å; S524-Q528 PolarHBondContact O-N 2.81Å
525L34.4Very low30.4Very low43 Ų4398.2 Ų98.223%0.22553%0.529CS..Hα-helixtrans-67.2-33170.9-165.171.8000111.5Y239 I311 L523 L529Y239-L525 HydrophobicContact CD2-CD2 3.96Å; Y239-L525 HydrophobicContact CE2-CD2 4.05Å; I311-L525 HydrophobicContact CD1-CD1 4.07Å; L523-L525 PolarHBondContact O-N 3.29Å; L525-L529 WeakPolarHBondContact O-CD1 3.21Å; L525-L529 VanDerWaalsContact O-CG 3.25Å; L525-L529 WeakPolarHBondContact O-CG 3.48Å
526A33.3Very low31Very low6 Ų694.2 Ų94.25%0.0552%0.515CS..Hα-helixtrans-67.4-61.7169.400000109.4L523 S524 Q528 L529 F531L523-A526 HydrophobicContact CB-CB 4.24Å; L523-A526 HydrophobicContact CD2-CB 3.67Å; L523-A526 CarbonylContact O-C 3.6Å; L523-A526 VanDerWaalsContact O-CA 3.25Å; L523-A526 WeakPolarHBondContact O-CA 3.5Å; L523-A526 VanDerWaalsContact O-CB 3.22Å; L523-A526 WeakPolarHBondContact O-CB 3.47Å; L523-A526 PolarHBondContact O-N 3.49Å; S524-A526 VanDerWaalsContact C-N 3.28Å; S524-A526 PolarHBondContact O-N 3.06Å; A526-Q528 PolarHBondContact O-N 3.11Å; A526-L529 WeakPolarHBondContact O-CA 3.27Å; A526-L529 WeakPolarHBondContact O-CB 3.46Å; A526-L529 PolarHBondContact O-N 2.91Å; A526-F531 HydrophobicContact CB-CD2 3.86Å; A526-F531 HydrophobicContact CB-CE1 4.25Å; A526-F531 HydrophobicContact CB-CE2 3.39Å; A526-F531 HydrophobicContact CB-CG 4.44Å; A526-F531 HydrophobicContact CB-CZ 3.6Å; A526-F531 WeakPolarHBondContact O-CD2 3.4Å; A526-F531 WeakPolarHBondContact O-CE2 3.46Å
527G31.9Very low31.4Very low49 Ų4992.5 Ų92.551%0.50550%0.499SS..Hα-helixtrans-47.8-38.9-178.800000114.7L523 S524 L529 G530L523-G527 PolarHBondContact O-N 3.38Å; S524-G527 PolarHBondContact O-N 3.13Å; G527-L529 VanDerWaalsContact C-N 3.28Å; G527-L529 PolarHBondContact O-N 3.15Å; G527-G530 PolarHBondContact O-N 2.95Å; G527-G530 VanDerWaalsContact O-N 3.13Å
528Q40Very low31.8Very low93 Ų9387.2 Ų87.244%0.43549%0.485SS..THydrogen-bonded Turntrans-68-20.3176-73.3-179.77.500114.6A309 S524 A526 G530A309-Q528 PolarHBondContact O-OE1 3.14Å; S524-Q528 WeakPolarHBondContact O-CB 3.38Å; S524-Q528 VanDerWaalsContact O-CG 3.23Å; S524-Q528 WeakPolarHBondContact O-CG 3.39Å; S524-Q528 PolarHBondContact O-N 2.81Å; A526-Q528 PolarHBondContact O-N 3.11Å; Q528-G530 VanDerWaalsContact C-N 3.28Å
529L36.3Very low32.1Very low36 Ų3687.8 Ų87.819%0.18849%0.488CS..THydrogen-bonded Turntrans-87.27.9173.5-56.7166.8000112.9N235 Y239 L525 A526 G527 F531N235-L529 HydrophobicContact CB-CB 4.46Å; N235-L529 HydrophobicContact CB-CD2 3.58Å; N235-L529 HydrophobicContact CB-CG 4.44Å; Y239-L529 HydrophobicContact CD2-CD1 4.35Å; Y239-L529 HydrophobicContact CG-CD1 4.3Å; L525-L529 WeakPolarHBondContact O-CD1 3.21Å; L525-L529 VanDerWaalsContact O-CG 3.25Å; L525-L529 WeakPolarHBondContact O-CG 3.48Å; A526-L529 WeakPolarHBondContact O-CA 3.27Å; A526-L529 WeakPolarHBondContact O-CB 3.46Å; A526-L529 PolarHBondContact O-N 2.91Å; G527-L529 VanDerWaalsContact C-N 3.28Å; G527-L529 PolarHBondContact O-N 3.15Å; L529-F531 HydrophobicContact CB-CE2 4.07Å
530G29.3Very low32.4Very low49 Ų4983.7 Ų83.751%0.50547%0.465SS..  trans83.251168.300000114.5G527 Q528G527-G530 PolarHBondContact O-N 2.95Å; G527-G530 VanDerWaalsContact O-N 3.13Å; Q528-G530 VanDerWaalsContact C-N 3.28Å
531F33.5Very low32.8Very low86 Ų8683.5 Ų83.538%0.37746%0.459SS..  trans-75.3131.4177.1-75.1-108.9000110.7L236 A526 L529L236-F531 HydrophobicContact CD2-CZ 4.23Å; A526-F531 HydrophobicContact CB-CD2 3.86Å; A526-F531 HydrophobicContact CB-CE1 4.25Å; A526-F531 HydrophobicContact CB-CE2 3.39Å; A526-F531 HydrophobicContact CB-CG 4.44Å; A526-F531 HydrophobicContact CB-CZ 3.6Å; A526-F531 WeakPolarHBondContact O-CD2 3.4Å; A526-F531 WeakPolarHBondContact O-CE2 3.46Å; L529-F531 HydrophobicContact CB-CE2 4.07Å
532S32.6Very low33.1Very low54 Ų5483.1 Ų83.138%0.37846%0.461SS..  trans-87.3142.2160.7560000109.2S534 L535S532-S534 PolarHBondContact O-N 3.36Å; S532-S534 PolarHBondContact OG-OG 2.64Å; S532-S534 VanDerWaalsContact OG-OG 3.05Å; S532-L535 PolarHBondContact O-N 2.9Å
533N32.6Very low33.1Very low126 Ų12679.6 Ų79.667%0.67445%0.449SS*.THydrogen-bonded Turntrans-53.4-16.6177.9-71.1-12.8000114.1L535 Y536 D537N533-L535 VanDerWaalsContact C-N 3.28Å; N533-L535 PolarHBondContact O-N 2.91Å; N533-Y536 CarbonylContact O-C 3.59Å; N533-Y536 WeakPolarHBondContact O-CA 3.46Å; N533-Y536 WeakPolarHBondContact O-CB 3.27Å; N533-Y536 PolarHBondContact O-N 3.15Å; N533-D537 PolarHBondContact O-N 2.98Å
534S38.6Very low33.3Very low75 Ų7579.3 Ų79.352%0.52445%0.448SS..Hα-helixtrans-61-29.9178.5660000114.7S532 Y536 C538S532-S534 PolarHBondContact O-N 3.36Å; S532-S534 PolarHBondContact OG-OG 2.64Å; S532-S534 VanDerWaalsContact OG-OG 3.05Å; S534-Y536 VanDerWaalsContact C-N 3.35Å; S534-C538 PolarHBondContact O-N 3.39Å
535L32.4Very low33.4Very low80 Ų8083.3 Ų83.342%0.41947%0.471SS..Hα-helixtrans-77.7-27.3174.2-119.9125.4000111.4S532 N533 C539S532-L535 PolarHBondContact O-N 2.9Å; N533-L535 VanDerWaalsContact C-N 3.28Å; N533-L535 PolarHBondContact O-N 2.91Å; L535-C539 PolarHBondContact O-N 3.19Å
536Y32.5Very low33.3Very low141 Ų14188.8 Ų88.855%0.55350%0.5SS*.Hα-helixtrans-67.8-46.6172.3-166.6-92000110.2N533 S534 C538 C539 M540N533-Y536 CarbonylContact O-C 3.59Å; N533-Y536 WeakPolarHBondContact O-CA 3.46Å; N533-Y536 WeakPolarHBondContact O-CB 3.27Å; N533-Y536 PolarHBondContact O-N 3.15Å; S534-Y536 VanDerWaalsContact C-N 3.35Å; Y536-C538 PolarHBondContact O-N 2.61Å; Y536-C539 PolarHBondContact O-N 3.44Å; Y536-M540 HydrophobicContact CD1-CG 3.92Å; Y536-M540 HydrophobicContact CE1-CG 3.71Å; Y536-M540 WeakPolarHBondContact O-CB 3.4Å; Y536-M540 WeakPolarHBondContact O-CG 3.45Å; Y536-M540 PolarHBondContact O-N 3.26Å
537D33.6Very low33Very low94 Ų9498 Ų9850%0.50355%0.547SS..Hα-helixtrans-62.4-43178.4-62.3-29.8000111.4N533 C539 M540 E541N533-D537 PolarHBondContact O-N 2.98Å; D537-C539 VanDerWaalsContact C-N 3.31Å; D537-C539 PolarHBondContact O-N 3.29Å; D537-M540 PolarHBondContact O-N 3.12Å; D537-E541 WeakPolarHBondContact O-CB 3.1Å; D537-E541 PolarHBondContact O-N 2.78Å
538C31.4Very low33.1Very low81 Ų81100.4 Ų100.455%0.54755%0.549SS..Hα-helixtrans-64.8-33.6178.6-168.70000113.1S534 Y536S534-C538 PolarHBondContact O-N 3.39Å; Y536-C538 PolarHBondContact O-N 2.61Å
539C31.1Very low32.7Very low87 Ų87100.8 Ų100.859%0.58856%0.555SS**Hα-helixtrans-77.1-37.9175-79.10000112.5L535 Y536 D537 A543L535-C539 PolarHBondContact O-N 3.19Å; Y536-C539 PolarHBondContact O-N 3.44Å; D537-C539 VanDerWaalsContact C-N 3.31Å; D537-C539 PolarHBondContact O-N 3.29Å; C539-A543 PolarHBondContact O-N 3.02Å
540M32.1Very low32.5Very low81 Ų81104.4 Ų104.440%0.39958%0.575SS.*Hα-helixtrans-73.9-36.4179.1-73-64.3-7100112.6Y536 D537 K542 A543 N544Y536-M540 HydrophobicContact CD1-CG 3.92Å; Y536-M540 HydrophobicContact CE1-CG 3.71Å; Y536-M540 WeakPolarHBondContact O-CB 3.4Å; Y536-M540 WeakPolarHBondContact O-CG 3.45Å; Y536-M540 PolarHBondContact O-N 3.26Å; D537-M540 PolarHBondContact O-N 3.12Å; M540-K542 VanDerWaalsContact C-N 3.31Å; M540-K542 PolarHBondContact O-N 2.87Å; M540-A543 WeakPolarHBondContact O-CB 3.15Å; M540-A543 PolarHBondContact O-N 2.7Å; M540-A543 VanDerWaalsContact O-N 3.07Å; M540-N544 PolarHBondContact O-N 3.12Å
541E31.4Very low32.7Very low145 Ų145107.6 Ų107.668%0.67858%0.579SS**Hα-helixtrans-65.5-37.1179.4-162.1172.5-148.800111.1D537 T545D537-E541 WeakPolarHBondContact O-CB 3.1Å; D537-E541 PolarHBondContact O-N 2.78Å; E541-T545 PolarHBondContact O-N 2.78Å; E541-T545 PolarHBondContact O-OG1 3.3Å
542K32.2Very low32.7Very low156 Ų156109 Ų10968%0.67859%0.592SS**Hα-helixtrans-70.2-27.9170.8-91.7-173174.3-176.30114.1M540M540-K542 VanDerWaalsContact C-N 3.31Å; M540-K542 PolarHBondContact O-N 2.87Å
543A31.4Very low32.7Very low50 Ų50112.7 Ų112.741%0.41361%0.606SS.*Hα-helixtrans-74.6-39.5175.300000111.2C539 M540 L546 L547C539-A543 PolarHBondContact O-N 3.02Å; M540-A543 WeakPolarHBondContact O-CB 3.15Å; M540-A543 PolarHBondContact O-N 2.7Å; M540-A543 VanDerWaalsContact O-N 3.07Å; A543-L546 PolarHBondContact O-N 3.34Å; A543-L547 PolarHBondContact O-N 3.28Å
544N34.5Very low32.7Very low102 Ų102111.7 Ų111.755%0.54560%0.602SS.*Hα-helixtrans-77.5-17.2-179.5-79.7-14.4000114.5M540 L546M540-N544 PolarHBondContact O-N 3.12Å; N544-L546 VanDerWaalsContact C-N 3.27Å
545T36.3Very low32.2Very low115 Ų115114.5 Ų114.571%0.70661%0.608SS**THydrogen-bonded Turntrans-82.4-4.1170.616.20000113.5E541E541-T545 PolarHBondContact O-N 2.78Å; E541-T545 PolarHBondContact O-OG1 3.3Å
546L31.5Very low32.2Very low158 Ų158117.4 Ų117.483%0.82762%0.623SS**  trans-114.4-3.8179.4-90.8155.6000113.8A543 N544A543-L546 PolarHBondContact O-N 3.34Å; N544-L546 VanDerWaalsContact C-N 3.27Å
547L28.8Very low32.2Very low199 Ų199115.3 Ų115.3100%1.04263%0.63SS**  trans-89.50160.7-87.9158.2000108.6A543A543-L547 PolarHBondContact O-N 3.28Å

Retrieved 547 of 547 residues in 800.6 ms (Link to these results)

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