A0A077ZL04_TRITR Loading...

Hexapep 2 and 3H and SIR2 and CM 2 and Mac and HT H 11 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZL04, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 603 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
1M89.5Confident94Very high140 Ų14068.3 Ų68.369%0.6934%0.342SS*.  0121.90-176.3176.2104.300108.4I3 Y218 Y219 F220M1-I3 HydrophobicContact CE-CG2 3.48Å; M1-I3 VanDerWaalsContact CE-CG2 3.48Å; M1-I3 HydrophobicContact CG-CG2 4.48Å; M1-Y218 PolarHBondContact N-O 3.24Å; M1-Y219 HydrophobicContact CB-CD1 4.23Å; M1-Y219 HydrophobicContact CE-CD1 3.67Å; M1-Y219 HydrophobicContact CE-CE1 3.4Å; M1-Y219 CarbonylContact O-C 3.59Å; M1-Y219 VanDerWaalsContact O-CA 3.29Å; M1-Y219 WeakPolarHBondContact O-CA 3.28Å; M1-Y219 HydrophobicContact SD-CD1 4.48Å; M1-Y219 HydrophobicContact SD-CE1 4.16Å; M1-F220 PolarHBondContact O-N 2.78Å
2E92.8Very high94.1Very high146 Ų14662.6 Ų62.668%0.68231%0.313SS*.BIsolated β-bridgetrans-70.2137.8173-76.5179.1-176.100110.7F220E2-F220 CarbonylContact C-O 3.53Å; E2-F220 WeakPolarHBondContact CA-O 3.49Å; E2-F220 HydrophobicContact CG-CD1 4.02Å
3I96.3Very high93.8Very high18 Ų1861.3 Ų61.39%0.09231%0.306CS..  trans-133.2161.7177.469.1171.6000110.2M1 Q7 A8 I11 Y219 F220 V221M1-I3 HydrophobicContact CE-CG2 3.48Å; M1-I3 VanDerWaalsContact CE-CG2 3.48Å; M1-I3 HydrophobicContact CG-CG2 4.48Å; I3-Q7 HydrophobicContact CB-CB 3.94Å; I3-Q7 VanDerWaalsContact CB-OE1 3.3Å; I3-Q7 HydrophobicContact CD1-CB 4.09Å; I3-Q7 HydrophobicContact CG1-CB 4.31Å; I3-A8 HydrophobicContact CD1-CB 3.92Å; I3-I11 HydrophobicContact CD1-CD1 3.64Å; I3-Y219 HydrophobicContact CD1-CD1 4.49Å; I3-Y219 HydrophobicContact CD1-CG 4.13Å; I3-Y219 HydrophobicContact CG2-CD1 3.58Å; I3-Y219 HydrophobicContact CG2-CE1 4.4Å; I3-Y219 HydrophobicContact CG2-CG 4.23Å; I3-F220 PolarHBondContact N-O 2.7Å; I3-V221 HydrophobicContact CD1-CG2 4.02Å; I3-V221 HydrophobicContact CG1-CG2 3.41Å; I3-V221 VanDerWaalsContact CG1-CG2 3.41Å
4T96.4Very high93.7Very high75 Ų7565.9 Ų65.946%0.4633%0.326SS..  trans-77.4162176.170.50000111.7D6 Q7 A8T4-D6 VanDerWaalsContact C-N 3.26Å; T4-D6 PolarHBondContact O-N 3.18Å; T4-Q7 WeakPolarHBondContact O-CB 3.41Å; T4-Q7 PolarHBondContact O-N 2.92Å; T4-Q7 VanDerWaalsContact O-N 3.12Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.19Å; T4-Q7 PolarHBondContact OG1-N 3.4Å; T4-Q7 PolarHBondContact OG1-OE1 3.15Å; T4-A8 PolarHBondContact O-N 3.44Å
5V94.7Very high93.8Very high33 Ų3362.6 Ų62.620%0.231%0.31CS..Hα-helixtrans-51.2-47.8171.4174.10000110.8Q7 A8 V9 V221 T223 A227 V228 K231V5-Q7 VanDerWaalsContact C-N 3.3Å; V5-Q7 PolarHBondContact O-N 3.42Å; V5-A8 PolarHBondContact O-N 3.46Å; V5-A8 VanDerWaalsContact O-N 3.14Å; V5-V9 HydrophobicContact CG1-CG2 4.33Å; V5-V9 VanDerWaalsContact O-CG2 3.32Å; V5-V9 WeakPolarHBondContact O-CG2 3.45Å; V5-V9 PolarHBondContact O-N 3.04Å; V5-V221 HydrophobicContact CG2-CG1 3.97Å; V5-T223 HydrophobicContact CG2-CG2 4.22Å; V5-A227 WeakPolarHBondContact CG1-O 3.36Å; V5-V228 HydrophobicContact CG1-CG2 4.16Å; V5-K231 HydrophobicContact CG1-CD 3.84Å
6D92.1Very high93.8Very high96 Ų9669.8 Ų69.851%0.51333%0.332SS..Hα-helixtrans-65.3-33.1-178.4-63.3-34.5000112.7T4 K10 K231T4-D6 VanDerWaalsContact C-N 3.26Å; T4-D6 PolarHBondContact O-N 3.18Å; D6-K10 WeakPolarHBondContact O-CB 3.43Å; D6-K10 PolarHBondContact O-N 3.17Å; D6-K231 IonicContact OD1-NZ 3.18Å; D6-K231 PolarHBondContact OD1-NZ 3.33Å; D6-K231 IonicContact OD2-NZ 2.63Å
7Q95.6Very high94.1Very high95 Ų9571.3 Ų71.344%0.44434%0.337SS..Hα-helixtrans-67.4-41.1173.4-73.6172-35.800111.4I3 T4 V5 K10 I11I3-Q7 HydrophobicContact CB-CB 3.94Å; I3-Q7 VanDerWaalsContact CB-OE1 3.3Å; I3-Q7 HydrophobicContact CD1-CB 4.09Å; I3-Q7 HydrophobicContact CG1-CB 4.31Å; T4-Q7 WeakPolarHBondContact O-CB 3.41Å; T4-Q7 PolarHBondContact O-N 2.92Å; T4-Q7 VanDerWaalsContact O-N 3.12Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.19Å; T4-Q7 PolarHBondContact OG1-N 3.4Å; T4-Q7 PolarHBondContact OG1-OE1 3.15Å; V5-Q7 VanDerWaalsContact C-N 3.3Å; V5-Q7 PolarHBondContact O-N 3.42Å; Q7-K10 PolarHBondContact O-N 3.49Å; Q7-I11 VanDerWaalsContact O-CG1 3.29Å; Q7-I11 WeakPolarHBondContact O-CG1 3.42Å; Q7-I11 PolarHBondContact O-N 3.27Å
8A96.1Very high94.3Very high0 Ų067.4 Ų67.40%032%0.319CS..Hα-helixtrans-66.3-44.2175.300000112.3I3 T4 V5 K10 I11 I12 V205 V221 V228I3-A8 HydrophobicContact CD1-CB 3.92Å; T4-A8 PolarHBondContact O-N 3.44Å; V5-A8 PolarHBondContact O-N 3.46Å; V5-A8 VanDerWaalsContact O-N 3.14Å; A8-K10 VanDerWaalsContact C-N 3.27Å; A8-K10 PolarHBondContact O-N 3Å; A8-I11 PolarHBondContact O-N 3.06Å; A8-I12 WeakPolarHBondContact O-CG1 3.44Å; A8-I12 PolarHBondContact O-N 3.38Å; A8-V205 HydrophobicContact CB-CG1 4.33Å; A8-V221 HydrophobicContact CB-CG2 3.55Å; A8-V228 HydrophobicContact CB-CG1 4.46Å
9V93.1Very high94.5Very high9 Ų964 Ų646%0.05530%0.303CS..Hα-helixtrans-54.3-46.9173.21700000110.2V5 I12 Q13 V228 K231 L232V5-V9 HydrophobicContact CG1-CG2 4.33Å; V5-V9 VanDerWaalsContact O-CG2 3.32Å; V5-V9 WeakPolarHBondContact O-CG2 3.45Å; V5-V9 PolarHBondContact O-N 3.04Å; V9-I12 PolarHBondContact O-N 3.42Å; V9-Q13 HydrophobicContact CG1-CG 4.42Å; V9-Q13 WeakPolarHBondContact O-CB 3.45Å; V9-Q13 VanDerWaalsContact O-CG 3.26Å; V9-Q13 WeakPolarHBondContact O-CG 3.25Å; V9-Q13 PolarHBondContact O-N 2.96Å; V9-V228 HydrophobicContact CG2-CG1 3.93Å; V9-K231 HydrophobicContact CG1-CB 4.44Å; V9-K231 HydrophobicContact CG2-CB 3.75Å; V9-K231 HydrophobicContact CG2-CD 4.32Å; V9-L232 HydrophobicContact CB-CD2 4.45Å; V9-L232 HydrophobicContact CG1-CD2 3.83Å; V9-L232 HydrophobicContact CG1-CG 4.42Å
10K92.1Very high94.7Very high118 Ų11860.8 Ų60.851%0.51329%0.288SS..Hα-helixtrans-60.5-47.6177.5-177.4178.7174.3-178.30112.1D6 Q7 A8 I12 Q13 E14D6-K10 WeakPolarHBondContact O-CB 3.43Å; D6-K10 PolarHBondContact O-N 3.17Å; Q7-K10 PolarHBondContact O-N 3.49Å; A8-K10 VanDerWaalsContact C-N 3.27Å; A8-K10 PolarHBondContact O-N 3Å; K10-I12 PolarHBondContact O-N 3.35Å; K10-Q13 PolarHBondContact O-N 2.76Å; K10-E14 WeakPolarHBondContact CE-OE1 3.16Å; K10-E14 HydrophobicContact CG-CG 4.39Å; K10-E14 WeakPolarHBondContact CG-OE1 3.28Å; K10-E14 IonicContact NZ-OE1 3.5Å; K10-E14 WeakPolarHBondContact O-CG 3.44Å; K10-E14 PolarHBondContact O-N 3.12Å
11I95.7Very high94.9Very high21 Ų2157.9 Ų57.911%0.10827%0.274CS..Hα-helixtrans-59.5-46.8177.8-67.5164.3000110.5I3 Q7 A8 Q13 E14 N15 L178 V205 Y219I3-I11 HydrophobicContact CD1-CD1 3.64Å; Q7-I11 VanDerWaalsContact O-CG1 3.29Å; Q7-I11 WeakPolarHBondContact O-CG1 3.42Å; Q7-I11 PolarHBondContact O-N 3.27Å; A8-I11 PolarHBondContact O-N 3.06Å; I11-Q13 VanDerWaalsContact C-N 3.3Å; I11-Q13 PolarHBondContact O-N 3.32Å; I11-E14 PolarHBondContact O-N 3.15Å; I11-N15 PolarHBondContact O-N 3.43Å; I11-N15 PolarHBondContact O-ND2 3.25Å; I11-L178 HydrophobicContact CG2-CD1 3.8Å; I11-L178 HydrophobicContact CG2-CD2 4.06Å; I11-V205 HydrophobicContact CB-CG2 4.49Å; I11-V205 HydrophobicContact CD1-CG2 4.33Å; I11-V205 HydrophobicContact CG2-CG2 3.8Å; I11-Y219 HydrophobicContact CD1-CD2 3.87Å; I11-Y219 HydrophobicContact CD1-CE2 4.14Å; I11-Y219 HydrophobicContact CD1-CG 4.17Å
12I95.2Very high95.3Very high0 Ų051.2 Ų51.20%024%0.241CC..Hα-helixtrans-62.3-40178.2-66.7167.8000110.9A8 V9 K10 I18 M88 K92 L178 V180 I207 V228 L232A8-I12 WeakPolarHBondContact O-CG1 3.44Å; A8-I12 PolarHBondContact O-N 3.38Å; V9-I12 PolarHBondContact O-N 3.42Å; K10-I12 PolarHBondContact O-N 3.35Å; I12-I18 HydrophobicContact CG2-CD1 4.15Å; I12-I18 WeakPolarHBondContact O-CD1 3.41Å; I12-M88 HydrophobicContact CG2-CE 4.43Å; I12-M88 HydrophobicContact CG2-SD 3.86Å; I12-K92 PolarHBondContact O-NZ 3.44Å; I12-L178 HydrophobicContact CB-CD2 4.47Å; I12-L178 HydrophobicContact CG1-CD2 4.11Å; I12-V180 HydrophobicContact CD1-CG2 4.48Å; I12-V180 HydrophobicContact CG1-CG2 4.18Å; I12-I207 HydrophobicContact CD1-CD1 4.07Å; I12-V228 HydrophobicContact CD1-CG1 4.17Å; I12-L232 HydrophobicContact CB-CD1 4.38Å; I12-L232 HydrophobicContact CB-CD2 4.3Å; I12-L232 HydrophobicContact CD1-CD1 4.07Å; I12-L232 HydrophobicContact CG2-CD1 3.81Å; I12-L232 HydrophobicContact CG2-CD2 4.02Å
13Q90.2Very high95.4Very high46 Ų4644.3 Ų44.322%0.21521%0.209CC..Hα-helixtrans-66.4-38.7179.1-76.5177.3-11.100113V9 K10 I11 K92 L232V9-Q13 HydrophobicContact CG1-CG 4.42Å; V9-Q13 WeakPolarHBondContact O-CB 3.45Å; V9-Q13 VanDerWaalsContact O-CG 3.26Å; V9-Q13 WeakPolarHBondContact O-CG 3.25Å; V9-Q13 PolarHBondContact O-N 2.96Å; K10-Q13 PolarHBondContact O-N 2.76Å; I11-Q13 VanDerWaalsContact C-N 3.3Å; I11-Q13 PolarHBondContact O-N 3.32Å; Q13-K92 PolarHBondContact O-NZ 2.9Å; Q13-L232 HydrophobicContact CG-CD2 3.66Å
14E91.9Very high95.2Very high126 Ų12644.9 Ų44.959%0.58922%0.216SC*.Hα-helixtrans-76-19.5-176-73.3175169.100114.5K10 I11K10-E14 WeakPolarHBondContact CE-OE1 3.16Å; K10-E14 HydrophobicContact CG-CG 4.39Å; K10-E14 WeakPolarHBondContact CG-OE1 3.28Å; K10-E14 IonicContact NZ-OE1 3.5Å; K10-E14 WeakPolarHBondContact O-CG 3.44Å; K10-E14 PolarHBondContact O-N 3.12Å; I11-E14 PolarHBondContact O-N 3.15Å
15N95.1Very high95.1Very high16 Ų1642 Ų429%0.08620%0.202CC..  trans-97.1143.3178.6-65-86.4000111.1I11 I18 K92 E177 L178I11-N15 PolarHBondContact O-N 3.43Å; I11-N15 PolarHBondContact O-ND2 3.25Å; N15-I18 HydrophobicContact CB-CG1 4.28Å; N15-K92 WeakPolarHBondContact O-CD 3.28Å; N15-K92 WeakPolarHBondContact O-CE 3.29Å; N15-K92 PolarHBondContact O-NZ 2.87Å; N15-E177 WeakPolarHBondContact CA-OE1 3.33Å; N15-E177 HydrophobicContact CB-CG 3.95Å; N15-E177 WeakPolarHBondContact OD1-CG 3.35Å; N15-L178 HydrophobicContact CB-CB 3.77Å; N15-L178 HydrophobicContact CB-CD2 3.97Å
16R94.4Very high95.2Very high178 Ų17840.5 Ų40.567%0.67219%0.193SC*.SBendtrans-102.3-29.7178.8-166.5179.3-173.3-154.4-0.3113.7K92 D93 E177R16-K92 WeakPolarHBondContact O-CB 3.47Å; R16-D93 PolarHBondContact O-N 3.07Å; R16-E177 WeakPolarHBondContact CA-OE1 3.2Å; R16-E177 PolarHBondContact N-OE1 2.94Å
17K97.9Very high95.4Very high95 Ų9536 Ų3641%0.41317%0.168SC..EExtended strand (participates in β ladder)trans-107.692.2179-68.2-171.7175.8-171.50111.7D93 E177 L178K17-D93 CarbonylContact C-O 3.58Å; K17-D93 VanDerWaalsContact CA-O 3.3Å; K17-D93 WeakPolarHBondContact CA-O 3.26Å; K17-D93 HydrophobicContact CG-CB 4.16Å; K17-E177 HydrophobicContact CB-CB 4.41Å; K17-E177 HydrophobicContact CB-CG 4Å; K17-E177 PolarHBondContact N-OE1 3.4Å; K17-E177 WeakPolarHBondContact O-CG 3.49Å; K17-E177 PolarHBondContact O-N 3.46Å; K17-L178 PolarHBondContact O-N 3.47Å
18I98.4Very high95.3Very high1 Ų133.8 Ų33.81%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-116.1132.3-169.1-46.4175000110.3I12 N15 F20 K92 D93 V94 W95 L178 V180I12-I18 HydrophobicContact CG2-CD1 4.15Å; I12-I18 WeakPolarHBondContact O-CD1 3.41Å; N15-I18 HydrophobicContact CB-CG1 4.28Å; I18-F20 HydrophobicContact CB-CE2 4.23Å; I18-F20 HydrophobicContact CG2-CD2 4.14Å; I18-F20 HydrophobicContact CG2-CE1 4.26Å; I18-F20 HydrophobicContact CG2-CE2 3.64Å; I18-F20 HydrophobicContact CG2-CZ 3.7Å; I18-K92 HydrophobicContact CD1-CD 4.07Å; I18-D93 PolarHBondContact N-O 2.83Å; I18-V94 HydrophobicContact CB-CG2 4.23Å; I18-V94 CarbonylContact O-C 3.5Å; I18-V94 VanDerWaalsContact O-CA 3.3Å; I18-V94 WeakPolarHBondContact O-CA 3.06Å; I18-W95 PolarHBondContact O-N 3.43Å; I18-L178 CarbonylContact C-O 3.52Å; I18-L178 VanDerWaalsContact CA-O 3.31Å; I18-L178 WeakPolarHBondContact CA-O 3.49Å; I18-L178 HydrophobicContact CD1-CD2 4.36Å; I18-L178 HydrophobicContact CG1-CB 4.42Å; I18-L178 HydrophobicContact CG1-CD2 4.29Å; I18-L178 HydrophobicContact CG2-CB 4.43Å; I18-L178 HydrophobicContact CG2-CD2 4.12Å; I18-L178 HydrophobicContact CG2-CG 4.21Å; I18-V180 HydrophobicContact CG2-CG2 3.96Å
19T98.6Very high95.2Very high3 Ų336.5 Ų36.52%0.01818%0.179CC..EExtended strand (participates in β ladder)trans-113.5122.5166.4-69.10000110.2L21 W95 V97 A172 V173 L178 I179 V180T19-L21 HydrophobicContact CG2-CD2 3.92Å; T19-L21 HydrophobicContact CG2-CG 4.5Å; T19-W95 CarbonylContact C-O 3.54Å; T19-W95 WeakPolarHBondContact CA-O 3.3Å; T19-V97 HydrophobicContact CG2-CG2 4Å; T19-A172 HydrophobicContact CG2-CB 4.1Å; T19-A172 VanDerWaalsContact OG1-C 3.29Å; T19-A172 PolarHBondContact OG1-O 3.41Å; T19-V173 HydrophobicContact CG2-CG2 3.97Å; T19-L178 PolarHBondContact N-O 3.25Å; T19-I179 CarbonylContact O-C 3.6Å; T19-I179 WeakPolarHBondContact O-CA 3.39Å; T19-V180 PolarHBondContact O-N 3.29Å
20F98.6Very high95.3Very high0 Ų037 Ų370%018%0.183CC..EExtended strand (participates in β ladder)trans-92.2125.8172.3-65.7-82.9000109.8I18 T22 M85 M88 V94 W95 V96 V97 V180 F229I18-F20 HydrophobicContact CB-CE2 4.23Å; I18-F20 HydrophobicContact CG2-CD2 4.14Å; I18-F20 HydrophobicContact CG2-CE1 4.26Å; I18-F20 HydrophobicContact CG2-CE2 3.64Å; I18-F20 HydrophobicContact CG2-CZ 3.7Å; F20-T22 HydrophobicContact CB-CG2 4.13Å; F20-M85 HydrophobicContact CB-CE 4.11Å; F20-M85 HydrophobicContact CB-SD 4.06Å; F20-M85 HydrophobicContact CD1-CE 3.6Å; F20-M85 HydrophobicContact CD1-CG 4.37Å; F20-M85 HydrophobicContact CD1-SD 4.27Å; F20-M85 HydrophobicContact CD2-CG 4Å; F20-M85 HydrophobicContact CD2-SD 4.29Å; F20-M85 HydrophobicContact CE1-CE 4.2Å; F20-M85 HydrophobicContact CE1-CG 4.47Å; F20-M85 HydrophobicContact CE2-CG 4.11Å; F20-M85 HydrophobicContact CG-CE 3.87Å; F20-M85 HydrophobicContact CG-CG 4.14Å; F20-M85 HydrophobicContact CG-SD 3.95Å; F20-M85 HydrophobicContact CZ-CG 4.35Å; F20-M88 HydrophobicContact CE1-CE 4.48Å; F20-M88 HydrophobicContact CE2-CE 3.84Å; F20-M88 HydrophobicContact CZ-CE 3.48Å; F20-M88 VanDerWaalsContact CZ-CE 3.48Å; F20-V94 HydrophobicContact CD2-CG1 3.71Å; F20-V94 HydrophobicContact CE2-CG1 3.61Å; F20-W95 PolarHBondContact N-O 2.95Å; F20-V96 HydrophobicContact CB-CG2 4.43Å; F20-V96 HydrophobicContact CD2-CG2 4.48Å; F20-V97 PolarHBondContact O-N 3.09Å; F20-V180 CarbonylContact C-O 3.15Å; F20-V180 WeakPolarHBondContact CA-O 3.28Å; F20-V180 HydrophobicContact CD1-CB 3.54Å; F20-V180 HydrophobicContact CD1-CG1 3.89Å; F20-V180 HydrophobicContact CD1-CG2 4.15Å; F20-V180 HydrophobicContact CE1-CB 3.68Å; F20-V180 HydrophobicContact CE1-CG1 3.9Å; F20-V180 HydrophobicContact CE1-CG2 3.82Å; F20-V180 HydrophobicContact CG-CB 4.49Å; F20-F229 HydrophobicContact CD1-CE1 4.45Å; F20-F229 HydrophobicContact CD1-CZ 4.1Å; F20-F229 AromaticContact CE1-CE1 3.8Å; F20-F229 HydrophobicContact CE1-CE1 3.8Å; F20-F229 AromaticContact CE1-CZ 3.71Å; F20-F229 HydrophobicContact CE1-CZ 3.71Å; F20-F229 HydrophobicContact CZ-CE1 4.23Å
21L98.5Very high95.2Very high0 Ų033.9 Ų33.90%019%0.185CC..EExtended strand (participates in β ladder)trans-105.6104.6171.2-58.6-175.5000108.2T19 V97 V173 I179 V180 I181 A182 F186 F191T19-L21 HydrophobicContact CG2-CD2 3.92Å; T19-L21 HydrophobicContact CG2-CG 4.5Å; L21-V97 WeakPolarHBondContact CA-O 3.47Å; L21-V97 HydrophobicContact CD2-CB 3.68Å; L21-V97 HydrophobicContact CD2-CG1 4.41Å; L21-V97 HydrophobicContact CD2-CG2 4.03Å; L21-V173 HydrophobicContact CD1-CG2 4.39Å; L21-V173 HydrophobicContact CD2-CG2 3.87Å; L21-I179 HydrophobicContact CD1-CG2 3.88Å; L21-I179 HydrophobicContact CG-CG2 4.05Å; L21-V180 PolarHBondContact N-O 3.17Å; L21-I181 HydrophobicContact CB-CG1 4.11Å; L21-I181 HydrophobicContact CD1-CG1 4.16Å; L21-I181 WeakPolarHBondContact O-CA 3.45Å; L21-A182 PolarHBondContact O-N 2.8Å; L21-F186 HydrophobicContact CB-CE2 3.97Å; L21-F186 HydrophobicContact CD1-CE2 3.63Å; L21-F186 HydrophobicContact CD1-CZ 3.65Å; L21-F186 HydrophobicContact CG-CE2 4.44Å; L21-F191 HydrophobicContact CB-CE1 4.14Å; L21-F191 HydrophobicContact CB-CZ 3.91Å; L21-F191 HydrophobicContact CD2-CZ 4.2Å
22T98.1Very high95Very high0 Ų033.6 Ų33.60%018%0.184CC..EExtended strand (participates in β ladder)trans-110.9150.9-169.663.40000112.9F20 V26 M85 V96 V97 S98 Q99 H105 A182F20-T22 HydrophobicContact CB-CG2 4.13Å; T22-V26 HydrophobicContact CG2-CG1 4.19Å; T22-M85 HydrophobicContact CG2-CE 3.8Å; T22-M85 HydrophobicContact CG2-SD 4.13Å; T22-V96 HydrophobicContact CG2-CG1 4.41Å; T22-V97 PolarHBondContact N-O 3.21Å; T22-S98 WeakPolarHBondContact OG1-CA 3.3Å; T22-S98 VanDerWaalsContact OG1-CB 3.3Å; T22-S98 WeakPolarHBondContact OG1-CB 3.38Å; T22-S98 PolarHBondContact OG1-OG 2.91Å; T22-S98 VanDerWaalsContact OG1-OG 3.09Å; T22-Q99 PolarHBondContact O-N 3.07Å; T22-Q99 PolarHBondContact O-NE2 3.26Å; T22-H105 PolarHBondContact OG1-NE2 3.3Å; T22-A182 WeakPolarHBondContact CA-O 3.37Å; T22-A182 HydrophobicContact CG2-CB 4.47Å
23G95.1Very high94.5Very high1 Ų135.5 Ų35.51%0.0120%0.196CC..  trans-136.2-168.3166.500000112G25 V26 N100 A182 G183G23-G25 PolarHBondContact O-N 3.36Å; G23-V26 WeakPolarHBondContact O-CG2 3.39Å; G23-V26 PolarHBondContact O-N 3.48Å; G23-V26 VanDerWaalsContact O-N 3.07Å; G23-N100 WeakPolarHBondContact CA-OD1 3.34Å; G23-N100 PolarHBondContact O-ND2 3.26Å; G23-N100 PolarHBondContact O-OD1 2.87Å; G23-A182 PolarHBondContact N-O 3.01Å; G23-G183 CarbonylContact C-O 3.58Å
24A92.3Very high94Very high29 Ų2935.4 Ų35.424%0.2420%0.197CC..G310 helixtrans-62-22.7-163.200000114.2V26 S27 T28 D34 N100 G183A24-V26 PolarHBondContact O-N 2.89Å; A24-V26 VanDerWaalsContact O-N 3.15Å; A24-S27 WeakPolarHBondContact O-CA 3.25Å; A24-S27 PolarHBondContact O-N 3.45Å; A24-T28 PolarHBondContact O-N 3.08Å; A24-D34 HydrophobicContact CB-CB 3.94Å; A24-N100 VanDerWaalsContact CA-OD1 3.26Å; A24-N100 WeakPolarHBondContact CA-OD1 3.45Å; A24-N100 PolarHBondContact N-OD1 3.36Å; A24-G183 PolarHBondContact N-O 3.33Å
25G93.7Very high92.7Very high15 Ų1532.9 Ų32.916%0.15518%0.183CC..G310 helixtrans-60.8-21.5176.400000114.3G23 S27 T28 G183G23-G25 PolarHBondContact O-N 3.36Å; G25-S27 VanDerWaalsContact C-N 3.3Å; G25-T28 VanDerWaalsContact C-OG1 3.24Å; G25-T28 VanDerWaalsContact CA-OG1 3.26Å; G25-T28 WeakPolarHBondContact CA-OG1 3.42Å; G25-T28 PolarHBondContact O-OG1 3.35Å; G25-G183 VanDerWaalsContact CA-O 3.24Å; G25-G183 WeakPolarHBondContact CA-O 3.4Å; G25-G183 PolarHBondContact N-O 3.29Å
26V96.3Very high91Very high2 Ų237.6 Ų37.61%0.01220%0.2CC..G310 helixtrans-77-19.7172.6-500000112.6T22 G23 A24 N79 I81 H82 A182T22-V26 HydrophobicContact CG2-CG1 4.19Å; G23-V26 WeakPolarHBondContact O-CG2 3.39Å; G23-V26 PolarHBondContact O-N 3.48Å; G23-V26 VanDerWaalsContact O-N 3.07Å; A24-V26 PolarHBondContact O-N 2.89Å; A24-V26 VanDerWaalsContact O-N 3.15Å; V26-N79 PolarHBondContact O-ND2 3.2Å; V26-I81 HydrophobicContact CB-CD1 4.18Å; V26-I81 HydrophobicContact CB-CG2 4.08Å; V26-I81 HydrophobicContact CG1-CG2 4.27Å; V26-H82 PolarHBondContact O-CE1 3.08Å; V26-H82 VanDerWaalsContact O-CE1 3.23Å; V26-A182 HydrophobicContact CG1-CB 3.91Å; V26-A182 WeakPolarHBondContact CG1-O 3.32Å
27S96.3Very high89.2Confident0 Ų031.4 Ų31.40%018%0.184CC..THydrogen-bonded Turntrans-98.5-13.4-177.5-55.30000113.4A24 G25 S30 V32 N100 D102A24-S27 WeakPolarHBondContact O-CA 3.25Å; A24-S27 PolarHBondContact O-N 3.45Å; G25-S27 VanDerWaalsContact C-N 3.3Å; S27-S30 WeakPolarHBondContact O-CA 3.41Å; S27-S30 VanDerWaalsContact O-CB 3.25Å; S27-S30 WeakPolarHBondContact O-CB 3.44Å; S27-S30 PolarHBondContact O-N 3.36Å; S27-V32 CarbonylContact C-O 3.57Å; S27-V32 PolarHBondContact O-N 2.97Å; S27-N100 PolarHBondContact OG-ND2 3.15Å; S27-D102 VanDerWaalsContact CB-OD2 3.23Å; S27-D102 WeakPolarHBondContact CB-OD2 3.25Å; S27-D102 PolarHBondContact OG-OD2 2.88Å
28T94.1Very high87.1Confident49 Ų4927.5 Ų27.530%0.30117%0.167SC..G310 helixtrans-51.5-44174.54.70000114.4A24 G25 S30 G31 V32 D34A24-T28 PolarHBondContact O-N 3.08Å; G25-T28 VanDerWaalsContact C-OG1 3.24Å; G25-T28 VanDerWaalsContact CA-OG1 3.26Å; G25-T28 WeakPolarHBondContact CA-OG1 3.42Å; G25-T28 PolarHBondContact O-OG1 3.35Å; T28-S30 PolarHBondContact O-N 3.32Å; T28-S30 VanDerWaalsContact O-N 3.15Å; T28-G31 PolarHBondContact O-N 3.05Å; T28-V32 WeakPolarHBondContact CA-O 3.32Å; T28-V32 PolarHBondContact N-O 2.62Å; T28-D34 HydrophobicContact CG2-CB 4.46Å
29P93.2Very high84.8Confident58 Ų5832.5 Ų32.538%0.37719%0.19SC..G310 helixtrans-65.2-16.4175.3-1930.6000114.1G31 N79 T226P29-G31 VanDerWaalsContact C-N 3.31Å; P29-N79 HydrophobicContact CB-CB 4.29Å; P29-T226 HydrophobicContact CB-CG2 3.95Å; P29-T226 HydrophobicContact CG-CG2 3.62Å
30S94.8Very high82.2Confident18 Ų1834.8 Ų34.813%0.12622%0.215CC..G310 helixtrans-89.15.1174.2-650000113.1S27 T28 A76 R77 N79S27-S30 WeakPolarHBondContact O-CA 3.41Å; S27-S30 VanDerWaalsContact O-CB 3.25Å; S27-S30 WeakPolarHBondContact O-CB 3.44Å; S27-S30 PolarHBondContact O-N 3.36Å; T28-S30 PolarHBondContact O-N 3.32Å; T28-S30 VanDerWaalsContact O-N 3.15Å; S30-A76 WeakPolarHBondContact O-CB 3.4Å; S30-R77 WeakPolarHBondContact CB-O 3.39Å; S30-R77 PolarHBondContact OG-O 3.39Å; S30-N79 WeakPolarHBondContact OG-CB 3.49Å; S30-N79 PolarHBondContact OG-N 3.32Å; S30-N79 PolarHBondContact OG-ND2 2.99Å
31G91.8Very high79.8Confident54 Ų5439.9 Ų39.956%0.55725%0.245SC*.THydrogen-bonded Turntrans81.511.8-177.900000114.4T28 P29T28-G31 PolarHBondContact O-N 3.05Å; P29-G31 VanDerWaalsContact C-N 3.31Å
32V91.2Very high77.4Confident14 Ų1441.8 Ų41.89%0.08525%0.253CS..  trans-94.7110.1174.1-176.80000108.3S27 T28 H73 A76 D102 L104S27-V32 CarbonylContact C-O 3.57Å; S27-V32 PolarHBondContact O-N 2.97Å; T28-V32 WeakPolarHBondContact CA-O 3.32Å; T28-V32 PolarHBondContact N-O 2.62Å; V32-H73 HydrophobicContact CG2-CB 3.89Å; V32-A76 HydrophobicContact CG2-CB 3.8Å; V32-D102 HydrophobicContact CG1-CB 4.46Å; V32-L104 HydrophobicContact CG2-CD1 4.06Å
33P85.1Confident74.6Confident41 Ų4150 Ų5027%0.26629%0.291SS..  trans-62.2147.5-178.427-34.4000111.8S37 L38 H73P33-S37 WeakPolarHBondContact CB-OG 3.28Å; P33-L38 HydrophobicContact CB-CD2 4.29Å; P33-L38 HydrophobicContact CG-CD2 3.8Å; P33-H73 WeakPolarHBondContact CD-CE1 3.02Å; P33-H73 WeakPolarHBondContact CD-NE2 3.47Å
34D78Confident72.6Confident44 Ų4454 Ų5424%0.23533%0.332CS..  trans-77.9162.8172.378.1-8.2000111.9A24 T28 R36 S37 L38A24-D34 HydrophobicContact CB-CB 3.94Å; T28-D34 HydrophobicContact CG2-CB 4.46Å; D34-R36 PolarHBondContact O-N 3.44Å; D34-R36 VanDerWaalsContact O-N 3.13Å; D34-R36 PolarHBondContact OD1-N 2.96Å; D34-S37 PolarHBondContact N-OG 2.97Å; D34-S37 VanDerWaalsContact N-OG 3.12Å; D34-S37 PolarHBondContact O-N 3.03Å; D34-S37 VanDerWaalsContact O-N 3.12Å; D34-S37 PolarHBondContact O-OG 3.41Å; D34-S37 WeakPolarHBondContact OD1-CB 3.14Å; D34-S37 PolarHBondContact OD1-N 3.29Å; D34-S37 PolarHBondContact OD1-OG 2.78Å; D34-L38 WeakPolarHBondContact O-CG 3.48Å; D34-L38 PolarHBondContact O-N 2.58Å; D34-L38 VanDerWaalsContact O-N 3.15Å
35Y65.4Low70.7Confident72 Ų7257.5 Ų57.528%0.28235%0.346SS..Hα-helixtrans-62.3-26.6-175.1-147.9-100.4000113.7L38 P48 L52Y35-L38 HydrophobicContact CD2-CD1 3.8Å; Y35-L38 HydrophobicContact CE2-CD1 4.33Å; Y35-L38 HydrophobicContact CG-CD1 4.33Å; Y35-P48 HydrophobicContact CE1-CB 3.62Å; Y35-P48 HydrophobicContact CE1-CG 4.34Å; Y35-P48 HydrophobicContact CE2-CB 4.38Å; Y35-P48 VanDerWaalsContact CZ-CB 3.44Å; Y35-P48 VanDerWaalsContact OH-C 3.27Å; Y35-P48 WeakPolarHBondContact OH-CB 3.41Å; Y35-P48 PolarHBondContact OH-O 2.98Å; Y35-L52 HydrophobicContact CE2-CD1 3.91Å
36R59.4Low69.2Low116 Ų11660.9 Ų60.944%0.43836%0.358SS..Hα-helixtrans-73.6-38.1177.5-59.3-176.6-156.61668.3111.6D34 L38 Q39 S185 T210D34-R36 PolarHBondContact O-N 3.44Å; D34-R36 VanDerWaalsContact O-N 3.13Å; D34-R36 PolarHBondContact OD1-N 2.96Å; R36-L38 VanDerWaalsContact C-N 3.32Å; R36-Q39 PolarHBondContact O-N 3.5Å; R36-S185 VanDerWaalsContact NH2-CB 3.33Å; R36-T210 PolarHBondContact NH1-OG1 3.03Å
37S57.6Low68.2Low48 Ų4863.4 Ų63.434%0.33638%0.379SS..Hα-helixtrans-70.4-28.5174.953.30000112.4P33 D34 Q39 G40 V41P33-S37 WeakPolarHBondContact CB-OG 3.28Å; D34-S37 PolarHBondContact N-OG 2.97Å; D34-S37 VanDerWaalsContact N-OG 3.12Å; D34-S37 PolarHBondContact O-N 3.03Å; D34-S37 VanDerWaalsContact O-N 3.12Å; D34-S37 PolarHBondContact O-OG 3.41Å; D34-S37 WeakPolarHBondContact OD1-CB 3.14Å; D34-S37 PolarHBondContact OD1-N 3.29Å; D34-S37 PolarHBondContact OD1-OG 2.78Å; S37-Q39 VanDerWaalsContact C-N 3.31Å; S37-Q39 PolarHBondContact O-N 3.16Å; S37-G40 PolarHBondContact O-N 3.28Å; S37-V41 PolarHBondContact O-N 2.99Å
38L52.1Low67.3Low13 Ų1364.2 Ų64.27%0.06838%0.384CS..Hα-helixtrans-59.1-38.4171.6-62.3170.4000112P33 D34 Y35 R36 G40 V41 Y42 L71P33-L38 HydrophobicContact CB-CD2 4.29Å; P33-L38 HydrophobicContact CG-CD2 3.8Å; D34-L38 WeakPolarHBondContact O-CG 3.48Å; D34-L38 PolarHBondContact O-N 2.58Å; D34-L38 VanDerWaalsContact O-N 3.15Å; Y35-L38 HydrophobicContact CD2-CD1 3.8Å; Y35-L38 HydrophobicContact CE2-CD1 4.33Å; Y35-L38 HydrophobicContact CG-CD1 4.33Å; R36-L38 VanDerWaalsContact C-N 3.32Å; L38-G40 PolarHBondContact O-N 3.48Å; L38-G40 VanDerWaalsContact O-N 3.14Å; L38-V41 PolarHBondContact O-N 3.41Å; L38-Y42 HydrophobicContact CB-CD2 3.98Å; L38-Y42 HydrophobicContact CB-CE2 4.1Å; L38-Y42 HydrophobicContact CD2-CD2 4.32Å; L38-Y42 HydrophobicContact CD2-CE2 3.58Å; L38-Y42 HydrophobicContact CG-CE2 4.37Å; L38-Y42 WeakPolarHBondContact O-CD2 3.34Å; L38-Y42 PolarHBondContact O-N 2.68Å; L38-L71 HydrophobicContact CD1-CD2 4.45Å
39Q50.2Low66.9Low106 Ų10665.5 Ų65.550%0.49539%0.387SS..Hα-helixtrans-59.7-26.8176.7-66176.5-7.700112.7R36 S37 H43R36-Q39 PolarHBondContact O-N 3.5Å; S37-Q39 VanDerWaalsContact C-N 3.31Å; S37-Q39 PolarHBondContact O-N 3.16Å; Q39-H43 PolarHBondContact O-ND1 3.34Å
40G45.6Very low66.7Low51 Ų5165.4 Ų65.453%0.52638%0.38SS..Hα-helixtrans-77.2-43.4172.300000112.9S37 L38 Y42S37-G40 PolarHBondContact O-N 3.28Å; L38-G40 PolarHBondContact O-N 3.48Å; L38-G40 VanDerWaalsContact O-N 3.14Å; G40-Y42 VanDerWaalsContact C-N 3.35Å
41V46.2Very low66.4Low106 Ų10664.7 Ų64.764%0.64237%0.374SS*.Hα-helixtrans-69.4-32.4-1781800000112.2S37 L38S37-V41 PolarHBondContact O-N 2.99Å; L38-V41 PolarHBondContact O-N 3.41Å
42Y48.4Very low66.3Low41 Ų4163 Ų6316%0.16135%0.352CS..THydrogen-bonded Turntrans-105.227-177.3-60.4-71.1000113.3L38 G40 G44 L45 F67 H70L38-Y42 HydrophobicContact CB-CD2 3.98Å; L38-Y42 HydrophobicContact CB-CE2 4.1Å; L38-Y42 HydrophobicContact CD2-CD2 4.32Å; L38-Y42 HydrophobicContact CD2-CE2 3.58Å; L38-Y42 HydrophobicContact CG-CE2 4.37Å; L38-Y42 WeakPolarHBondContact O-CD2 3.34Å; L38-Y42 PolarHBondContact O-N 2.68Å; G40-Y42 VanDerWaalsContact C-N 3.35Å; Y42-G44 PolarHBondContact O-N 3.18Å; Y42-L45 HydrophobicContact CD1-CD1 3.45Å; Y42-L45 VanDerWaalsContact CD1-CD1 3.45Å; Y42-L45 HydrophobicContact CE1-CD1 4.44Å; Y42-L45 HydrophobicContact CG-CD1 4.06Å; Y42-L45 PolarHBondContact O-N 2.86Å; Y42-F67 HydrophobicContact CD1-CE2 4.41Å; Y42-F67 HydrophobicContact CD2-CE2 4.13Å; Y42-F67 HydrophobicContact CE1-CD2 4.49Å; Y42-F67 HydrophobicContact CE1-CE2 4.27Å; Y42-F67 HydrophobicContact CE2-CE2 4.03Å; Y42-F67 HydrophobicContact CG-CE2 4.33Å; Y42-H70 WeakPolarHBondContact OH-CB 3.2Å
43H39.9Very low66.4Low171 Ų17162.8 Ų62.879%0.79235%0.351SS*.THydrogen-bonded Turntrans-50.6111.2174.7-118.261.6000110.6Q39Q39-H43 PolarHBondContact O-ND1 3.34Å
44G53.8Low66.8Low85 Ų8563.4 Ų63.488%0.87635%0.353SS*.THydrogen-bonded Turntrans110.5-10.4-178.300000115.6Y42Y42-G44 PolarHBondContact O-N 3.18Å
45L52.4Low67.5Low103 Ų10365.7 Ų65.754%0.53936%0.362SS..SBendtrans-89.2155.1171.2-73.3155.2000111.1Y42 L51Y42-L45 HydrophobicContact CD1-CD1 3.45Å; Y42-L45 VanDerWaalsContact CD1-CD1 3.45Å; Y42-L45 HydrophobicContact CE1-CD1 4.44Å; Y42-L45 HydrophobicContact CG-CD1 4.06Å; Y42-L45 PolarHBondContact O-N 2.86Å; L45-L51 HydrophobicContact CB-CD1 4.41Å
46E60.6Low68.8Low86 Ų8662.3 Ų62.340%0.40235%0.348SS..PPolyproline II helixtrans-53.2158.2174.9-69.8164.4163.600111.8Y50 L51 K63E46-Y50 HydrophobicContact CB-CD1 4.09Å; E46-Y50 VanDerWaalsContact OE2-CD1 3.29Å; E46-Y50 WeakPolarHBondContact OE2-CD1 3.48Å; E46-Y50 WeakPolarHBondContact OE2-CE1 3.24Å; E46-L51 HydrophobicContact CB-CD2 4.45Å; E46-L51 HydrophobicContact CB-CG 4.49Å; E46-L51 WeakPolarHBondContact O-CD1 3.33Å; E46-K63 IonicContact OE1-NZ 2.76Å; E46-K63 PolarHBondContact OE1-NZ 3.01Å; E46-K63 WeakPolarHBondContact OE2-CD 3.27Å; E46-K63 IonicContact OE2-NZ 3.67Å; E46-K63 PolarHBondContact OE2-NZ 3.2Å
47A75.8Confident70.5Confident55 Ų5556.8 Ų56.846%0.45533%0.328SS..PPolyproline II helixtrans-50.1129.2-177.600000111.1E49 Y50 L51A47-E49 PolarHBondContact O-N 3.45Å; A47-Y50 WeakPolarHBondContact O-CA 3.44Å; A47-Y50 WeakPolarHBondContact O-CB 3.49Å; A47-Y50 PolarHBondContact O-N 3.21Å; A47-L51 PolarHBondContact O-N 2.84Å
48P78.5Confident72.3Confident17 Ų1758.4 Ų58.411%0.1134%0.335CS..Hα-helixtrans-51.5-28.6179.3-31.838.2000114.2Y35 L51 L52Y35-P48 HydrophobicContact CE1-CB 3.62Å; Y35-P48 HydrophobicContact CE1-CG 4.34Å; Y35-P48 HydrophobicContact CE2-CB 4.38Å; Y35-P48 VanDerWaalsContact CZ-CB 3.44Å; Y35-P48 VanDerWaalsContact OH-C 3.27Å; Y35-P48 WeakPolarHBondContact OH-CB 3.41Å; Y35-P48 PolarHBondContact OH-O 2.98Å; P48-L51 PolarHBondContact O-N 3.45Å; P48-L52 WeakPolarHBondContact O-CB 3.48Å; P48-L52 PolarHBondContact O-N 2.87Å
49E84.8Confident74.3Confident76 Ų7666.2 Ų66.236%0.35536%0.364SS..Hα-helixtrans-63-39.3173.7-62.782.2176.300112.6A47 L52 S53 Y157A47-E49 PolarHBondContact O-N 3.45Å; E49-L52 CarbonylContact O-C 3.6Å; E49-S53 WeakPolarHBondContact O-CB 3.3Å; E49-S53 PolarHBondContact O-N 2.8Å; E49-Y157 HydrophobicContact CB-CD2 4.05Å; E49-Y157 HydrophobicContact CB-CE2 3.94Å; E49-Y157 HydrophobicContact CB-CG 4.41Å; E49-Y157 HydrophobicContact CG-CD2 4.46Å; E49-Y157 HydrophobicContact CG-CE1 4.2Å; E49-Y157 HydrophobicContact CG-CE2 3.87Å; E49-Y157 VanDerWaalsContact O-CD2 3.3Å; E49-Y157 WeakPolarHBondContact O-CD2 3.24Å
50Y88.4Confident76.5Confident57 Ų5764.1 Ų64.122%0.22435%0.354CS..Hα-helixtrans-70.2-46.9173.3175.9-107.6000110.9E46 A47 L52 S53 E55 C56 E60E46-Y50 HydrophobicContact CB-CD1 4.09Å; E46-Y50 VanDerWaalsContact OE2-CD1 3.29Å; E46-Y50 WeakPolarHBondContact OE2-CD1 3.48Å; E46-Y50 WeakPolarHBondContact OE2-CE1 3.24Å; A47-Y50 WeakPolarHBondContact O-CA 3.44Å; A47-Y50 WeakPolarHBondContact O-CB 3.49Å; A47-Y50 PolarHBondContact O-N 3.21Å; Y50-L52 PolarHBondContact O-N 2.93Å; Y50-S53 VanDerWaalsContact O-CB 3.25Å; Y50-S53 WeakPolarHBondContact O-CB 3.34Å; Y50-S53 PolarHBondContact O-N 3.04Å; Y50-S53 PolarHBondContact O-OG 3.46Å; Y50-E55 HydrophobicContact CE2-CB 4.47Å; Y50-E55 HydrophobicContact CE2-CG 4.1Å; Y50-C56 HydrophobicContact CD1-CB 4.32Å; Y50-C56 HydrophobicContact CD2-CB 4.48Å; Y50-C56 HydrophobicContact CE1-CB 4.04Å; Y50-C56 HydrophobicContact CE2-CB 4.21Å; Y50-C56 WeakPolarHBondContact O-CB 3.42Å; Y50-E60 WeakPolarHBondContact CE1-OE1 3.16Å; Y50-E60 PolarHBondContact OH-OE1 2.76Å
51L89.1Confident78.8Confident3 Ų363.5 Ų63.52%0.01634%0.341CS..Hα-helixtrans-61.3-27.4179.4-63.2175000112.7L45 E46 A47 P48 K63 F64 F67L45-L51 HydrophobicContact CB-CD1 4.41Å; E46-L51 HydrophobicContact CB-CD2 4.45Å; E46-L51 HydrophobicContact CB-CG 4.49Å; E46-L51 WeakPolarHBondContact O-CD1 3.33Å; A47-L51 PolarHBondContact O-N 2.84Å; P48-L51 PolarHBondContact O-N 3.45Å; L51-K63 HydrophobicContact CD2-CD 3.67Å; L51-K63 HydrophobicContact CD2-CG 3.88Å; L51-F64 WeakPolarHBondContact O-CD2 3.22Å; L51-F67 HydrophobicContact CB-CB 4.48Å; L51-F67 HydrophobicContact CB-CD1 3.74Å; L51-F67 HydrophobicContact CB-CD2 4.36Å; L51-F67 HydrophobicContact CB-CE1 4.02Å; L51-F67 HydrophobicContact CB-CG 3.92Å; L51-F67 HydrophobicContact CB-CZ 4.43Å; L51-F67 HydrophobicContact CD1-CD1 4.48Å; L51-F67 HydrophobicContact CD1-CD2 3.6Å; L51-F67 HydrophobicContact CD1-CE2 3.73Å; L51-F67 HydrophobicContact CD1-CG 3.99Å; L51-F67 HydrophobicContact CD1-CZ 4.24Å; L51-F67 HydrophobicContact CG-CG 4.47Å
52L90.8Very high81.1Confident17 Ų1763.1 Ų63.19%0.08933%0.332CS..THydrogen-bonded Turntrans-103.632.6172.5-64.1177000113Y35 P48 E49 Y50 F67 V68 L71 I154 L156 Y157Y35-L52 HydrophobicContact CE2-CD1 3.91Å; P48-L52 WeakPolarHBondContact O-CB 3.48Å; P48-L52 PolarHBondContact O-N 2.87Å; E49-L52 CarbonylContact O-C 3.6Å; Y50-L52 PolarHBondContact O-N 2.93Å; L52-F67 HydrophobicContact CD1-CE1 4.14Å; L52-F67 HydrophobicContact CD2-CD1 3.97Å; L52-F67 HydrophobicContact CD2-CE1 3.85Å; L52-F67 HydrophobicContact CG-CD1 4.22Å; L52-F67 HydrophobicContact CG-CE1 3.73Å; L52-V68 HydrophobicContact CD2-CG2 3.87Å; L52-L71 HydrophobicContact CD1-CD1 4.41Å; L52-L71 HydrophobicContact CD2-CD1 3.95Å; L52-I154 HydrophobicContact CD2-CD1 4.29Å; L52-L156 HydrophobicContact CB-CD2 4.42Å; L52-L156 CarbonylContact O-C 3.55Å; L52-L156 WeakPolarHBondContact O-CA 3.5Å; L52-L156 VanDerWaalsContact O-CB 3.3Å; L52-L156 WeakPolarHBondContact O-CB 3.3Å; L52-L156 WeakPolarHBondContact O-CD2 3.41Å; L52-Y157 HydrophobicContact CB-CD2 4.22Å; L52-Y157 WeakPolarHBondContact O-CD2 3.39Å; L52-Y157 PolarHBondContact O-N 3.02Å
53S92.4Very high83.1Confident10 Ų1064.1 Ų64.17%0.0734%0.337CS..BIsolated β-bridgetrans-104.8153.617572.50000112.5E49 Y50 E55 C56 L57 Y157E49-S53 WeakPolarHBondContact O-CB 3.3Å; E49-S53 PolarHBondContact O-N 2.8Å; Y50-S53 VanDerWaalsContact O-CB 3.25Å; Y50-S53 WeakPolarHBondContact O-CB 3.34Å; Y50-S53 PolarHBondContact O-N 3.04Å; Y50-S53 PolarHBondContact O-OG 3.46Å; S53-E55 PolarHBondContact O-N 2.78Å; S53-E55 PolarHBondContact OG-N 3.19Å; S53-C56 PolarHBondContact O-N 3.2Å; S53-C56 PolarHBondContact OG-N 3.43Å; S53-L57 PolarHBondContact O-N 3.15Å; S53-L57 VanDerWaalsContact O-N 3.16Å; S53-Y157 WeakPolarHBondContact CA-O 3.48Å
54N92.7Very high85.7Confident55 Ų5556 Ų5629%0.29430%0.3SS..Hα-helixtrans-62.8-25.1169.2176.862.7000111.7V58 Y157 E159N54-V58 WeakPolarHBondContact O-CG2 3.41Å; N54-V58 PolarHBondContact O-N 3.33Å; N54-Y157 PolarHBondContact N-O 3.46Å; N54-E159 HydrophobicContact CB-CG 3.9Å
55E93.1Very high87.7Confident92 Ų9252.6 Ų52.643%0.4326%0.26SS..Hα-helixtrans-63.6-51.9174.2-176.4173.9-178.600111.7Y50 S53 L57 V58 R59Y50-E55 HydrophobicContact CE2-CB 4.47Å; Y50-E55 HydrophobicContact CE2-CG 4.1Å; S53-E55 PolarHBondContact O-N 2.78Å; S53-E55 PolarHBondContact OG-N 3.19Å; E55-L57 PolarHBondContact O-N 2.89Å; E55-V58 PolarHBondContact O-N 3.49Å; E55-R59 HydrophobicContact CG-CG 4.34Å; E55-R59 WeakPolarHBondContact O-CB 3.29Å; E55-R59 PolarHBondContact O-N 3.28Å; E55-R59 IonicContact OE1-CZ 3.36Å; E55-R59 IonicContact OE1-NE 3.73Å; E55-R59 IonicContact OE1-NH1 2.7Å; E55-R59 PolarHBondContact OE1-NH1 3.34Å
56C93.7Very high89.7Confident0 Ų051.3 Ų51.30%025%0.252CS..Hα-helixtrans-62.4-42.9177.7-1770000111.5Y50 S53 V58 R59 E60Y50-C56 HydrophobicContact CD1-CB 4.32Å; Y50-C56 HydrophobicContact CD2-CB 4.48Å; Y50-C56 HydrophobicContact CE1-CB 4.04Å; Y50-C56 HydrophobicContact CE2-CB 4.21Å; Y50-C56 WeakPolarHBondContact O-CB 3.42Å; S53-C56 PolarHBondContact O-N 3.2Å; S53-C56 PolarHBondContact OG-N 3.43Å; C56-V58 PolarHBondContact O-N 3.24Å; C56-V58 VanDerWaalsContact O-N 3.15Å; C56-R59 PolarHBondContact O-N 3.39Å; C56-E60 CarbonylContact O-C 3.46Å; C56-E60 WeakPolarHBondContact O-CA 3.01Å; C56-E60 PolarHBondContact O-N 3.45Å
57L95.3Very high91.1Very high0 Ų047.8 Ų47.80%024%0.235CC..Hα-helixtrans-53.9-36.2175.3172.567000113.1S53 E55 F64 L156S53-L57 PolarHBondContact O-N 3.15Å; S53-L57 VanDerWaalsContact O-N 3.16Å; E55-L57 PolarHBondContact O-N 2.89Å; L57-F64 HydrophobicContact CB-CD1 4.42Å; L57-F64 HydrophobicContact CB-CD2 3.85Å; L57-F64 HydrophobicContact CB-CE2 4.06Å; L57-F64 HydrophobicContact CB-CG 4.05Å; L57-F64 HydrophobicContact CB-CZ 4.43Å; L57-F64 HydrophobicContact CD1-CD1 3.52Å; L57-F64 HydrophobicContact CD1-CD2 4.46Å; L57-F64 HydrophobicContact CD1-CE1 3.58Å; L57-F64 HydrophobicContact CD1-CE2 4.49Å; L57-F64 HydrophobicContact CD1-CG 4Å; L57-F64 HydrophobicContact CD1-CZ 4.07Å; L57-L156 HydrophobicContact CB-CD1 4.09Å; L57-L156 HydrophobicContact CD2-CD1 3.79Å
58V94.1Very high91.9Very high82 Ų8245.1 Ų45.150%0.49721%0.213SC..Hα-helixtrans-88.6-45.3-177.6172.10000112.1N54 E55 C56N54-V58 WeakPolarHBondContact O-CG2 3.41Å; N54-V58 PolarHBondContact O-N 3.33Å; E55-V58 PolarHBondContact O-N 3.49Å; C56-V58 PolarHBondContact O-N 3.24Å; C56-V58 VanDerWaalsContact O-N 3.15Å
59R94.6Very high92.6Very high177 Ų17748 Ų4867%0.66822%0.224SC*.Hα-helixtrans-81.8-37.9-174-70.6-174.7165.1-171.8-12.4112.8E55 C56 P61E55-R59 HydrophobicContact CG-CG 4.34Å; E55-R59 WeakPolarHBondContact O-CB 3.29Å; E55-R59 PolarHBondContact O-N 3.28Å; E55-R59 IonicContact OE1-CZ 3.36Å; E55-R59 IonicContact OE1-NE 3.73Å; E55-R59 IonicContact OE1-NH1 2.7Å; E55-R59 PolarHBondContact OE1-NH1 3.34Å; C56-R59 PolarHBondContact O-N 3.39Å; R59-P61 VanDerWaalsContact C-CD 3.48Å
60E95.3Very high92.8Very high63 Ų6349.6 Ų49.629%0.29423%0.231SC..  trans-133.261.2-172.7-59.8-171.2-87.900110.4Y50 C56 E62 K63 F64Y50-E60 WeakPolarHBondContact CE1-OE1 3.16Å; Y50-E60 PolarHBondContact OH-OE1 2.76Å; C56-E60 CarbonylContact O-C 3.46Å; C56-E60 WeakPolarHBondContact O-CA 3.01Å; C56-E60 PolarHBondContact O-N 3.45Å; E60-E62 VanDerWaalsContact C-N 3.27Å; E60-E62 PolarHBondContact O-N 3.47Å; E60-K63 HydrophobicContact CB-CB 3.96Å; E60-K63 WeakPolarHBondContact O-CB 3.35Å; E60-K63 PolarHBondContact O-N 2.94Å; E60-K63 IonicContact OE1-NZ 3.67Å; E60-K63 PolarHBondContact OE1-NZ 2.83Å; E60-K63 WeakPolarHBondContact OE2-CE 3.23Å; E60-K63 IonicContact OE2-NZ 3.75Å; E60-K63 PolarHBondContact OE2-NZ 2.95Å; E60-F64 PolarHBondContact O-N 3.25Å
61P94.3Very high92.9Very high37 Ų3747.9 Ų47.924%0.2423%0.226CC..Hα-helixtrans-58.7-36-169.523.7-35.5000113.4R59 Y65R59-P61 VanDerWaalsContact C-CD 3.48Å; P61-Y65 VanDerWaalsContact O-CB 3.29Å; P61-Y65 WeakPolarHBondContact O-CB 3.36Å; P61-Y65 PolarHBondContact O-N 3.48Å
62E94.3Very high93.2Very high99 Ų9948.9 Ų48.946%0.46323%0.229SC..Hα-helixtrans-67-43.1177.6-172.757.1-147.100111.3E60 F64 Y65 Q66E60-E62 VanDerWaalsContact C-N 3.27Å; E60-E62 PolarHBondContact O-N 3.47Å; E62-F64 PolarHBondContact O-N 2.87Å; E62-Y65 PolarHBondContact O-N 2.95Å; E62-Q66 VanDerWaalsContact O-CG 3.31Å; E62-Q66 WeakPolarHBondContact O-CG 3.21Å; E62-Q66 PolarHBondContact O-N 3Å; E62-Q66 WeakPolarHBondContact OE1-CG 3.42Å; E62-Q66 PolarHBondContact OE1-NE2 3.45Å
63K91.7Very high93.2Very high62 Ų6250.6 Ų50.627%0.2724%0.237SC..Hα-helixtrans-61.3-46.8177-172.8-171.6-75175.10110.7E46 L51 E60 F67E46-K63 IonicContact OE1-NZ 2.76Å; E46-K63 PolarHBondContact OE1-NZ 3.01Å; E46-K63 WeakPolarHBondContact OE2-CD 3.27Å; E46-K63 IonicContact OE2-NZ 3.67Å; E46-K63 PolarHBondContact OE2-NZ 3.2Å; L51-K63 HydrophobicContact CD2-CD 3.67Å; L51-K63 HydrophobicContact CD2-CG 3.88Å; E60-K63 HydrophobicContact CB-CB 3.96Å; E60-K63 WeakPolarHBondContact O-CB 3.35Å; E60-K63 PolarHBondContact O-N 2.94Å; E60-K63 IonicContact OE1-NZ 3.67Å; E60-K63 PolarHBondContact OE1-NZ 2.83Å; E60-K63 WeakPolarHBondContact OE2-CE 3.23Å; E60-K63 IonicContact OE2-NZ 3.75Å; E60-K63 PolarHBondContact OE2-NZ 2.95Å; K63-F67 WeakPolarHBondContact O-CB 3.29Å; K63-F67 PolarHBondContact O-N 2.97Å
64F94.1Very high93Very high1 Ų156.5 Ų56.50%0.00426%0.261CS..Hα-helixtrans-57.2-50.2173.7176.6-86.4000111.6L51 L57 E60 E62 Q66 F67 V68 L156L51-F64 WeakPolarHBondContact O-CD2 3.22Å; L57-F64 HydrophobicContact CB-CD1 4.42Å; L57-F64 HydrophobicContact CB-CD2 3.85Å; L57-F64 HydrophobicContact CB-CE2 4.06Å; L57-F64 HydrophobicContact CB-CG 4.05Å; L57-F64 HydrophobicContact CB-CZ 4.43Å; L57-F64 HydrophobicContact CD1-CD1 3.52Å; L57-F64 HydrophobicContact CD1-CD2 4.46Å; L57-F64 HydrophobicContact CD1-CE1 3.58Å; L57-F64 HydrophobicContact CD1-CE2 4.49Å; L57-F64 HydrophobicContact CD1-CG 4Å; L57-F64 HydrophobicContact CD1-CZ 4.07Å; E60-F64 PolarHBondContact O-N 3.25Å; E62-F64 PolarHBondContact O-N 2.87Å; F64-Q66 PolarHBondContact O-N 2.95Å; F64-F67 PolarHBondContact O-N 3.31Å; F64-V68 HydrophobicContact CD1-CG2 4.13Å; F64-V68 HydrophobicContact CD2-CG2 4.28Å; F64-V68 HydrophobicContact CE1-CB 4.34Å; F64-V68 HydrophobicContact CE1-CG2 3.69Å; F64-V68 HydrophobicContact CE2-CG2 3.87Å; F64-V68 HydrophobicContact CG-CG2 4.4Å; F64-V68 HydrophobicContact CZ-CG2 3.57Å; F64-V68 WeakPolarHBondContact O-CB 3.29Å; F64-V68 WeakPolarHBondContact O-CG2 3.41Å; F64-V68 PolarHBondContact O-N 3.08Å; F64-L156 HydrophobicContact CE2-CD1 3.62Å; F64-L156 HydrophobicContact CE2-CD2 3.69Å; F64-L156 HydrophobicContact CE2-CG 4.33Å; F64-L156 HydrophobicContact CZ-CD1 3.86Å; F64-L156 HydrophobicContact CZ-CD2 3.95Å
65Y95.9Very high93Very high12 Ų1260.2 Ų60.25%0.04728%0.277CS..Hα-helixtrans-59.1-50-177.7170.8-129.4000111.4P61 E62 F67 V68 K69 Y137 L138 Q139 S140 D141P61-Y65 VanDerWaalsContact O-CB 3.29Å; P61-Y65 WeakPolarHBondContact O-CB 3.36Å; P61-Y65 PolarHBondContact O-N 3.48Å; E62-Y65 PolarHBondContact O-N 2.95Å; Y65-F67 VanDerWaalsContact C-N 3.35Å; Y65-F67 PolarHBondContact O-N 3.05Å; Y65-V68 PolarHBondContact O-N 3Å; Y65-K69 HydrophobicContact CE2-CD 4.38Å; Y65-K69 VanDerWaalsContact O-CB 3.26Å; Y65-K69 WeakPolarHBondContact O-CB 3.38Å; Y65-K69 PolarHBondContact O-N 2.93Å; Y65-Y137 HydrophobicContact CD2-CE1 4.29Å; Y65-Y137 AromaticContact CD2-CE2 3.8Å; Y65-Y137 HydrophobicContact CD2-CE2 3.8Å; Y65-Y137 AromaticContact CD2-CZ 3.64Å; Y65-Y137 HydrophobicContact CE2-CD2 4.42Å; Y65-Y137 HydrophobicContact CE2-CE1 4.24Å; Y65-Y137 HydrophobicContact CE2-CE2 4.06Å; Y65-Y137 AromaticContact CE2-CZ 3.97Å; Y65-Y137 WeakPolarHBondContact CE2-O 3.43Å; Y65-Y137 PolarHBondContact OH-O 3.4Å; Y65-Y137 VanDerWaalsContact OH-O 3.1Å; Y65-L138 PolarHBondContact OH-O 3Å; Y65-Q139 VanDerWaalsContact OH-C 3.27Å; Y65-Q139 PolarHBondContact OH-O 3.19Å; Y65-S140 WeakPolarHBondContact OH-CA 3.27Å; Y65-S140 PolarHBondContact OH-N 3.41Å; Y65-D141 HydrophobicContact CD1-CB 4.13Å; Y65-D141 HydrophobicContact CD2-CB 3.7Å; Y65-D141 HydrophobicContact CE2-CB 4.14Å; Y65-D141 HydrophobicContact CG-CB 3.71Å
66Q93.4Very high93.1Very high77 Ų7756.6 Ų56.636%0.3626%0.263SS..Hα-helixtrans-59.7-45.9178.1-67.3-60.6-2300110.9E62 F64 K69 H70E62-Q66 VanDerWaalsContact O-CG 3.31Å; E62-Q66 WeakPolarHBondContact O-CG 3.21Å; E62-Q66 PolarHBondContact O-N 3Å; E62-Q66 WeakPolarHBondContact OE1-CG 3.42Å; E62-Q66 PolarHBondContact OE1-NE2 3.45Å; F64-Q66 PolarHBondContact O-N 2.95Å; Q66-K69 PolarHBondContact O-N 2.74Å; Q66-H70 PolarHBondContact O-N 3.33Å; Q66-H70 PolarHBondContact O-ND1 3.15Å
67F90.5Very high93.3Very high11 Ų1164.9 Ų64.95%0.04829%0.294CS..Hα-helixtrans-61.8-50.9178.9-176.2-102.8000112.4Y42 L51 L52 K63 F64 Y65 K69 H70 L71Y42-F67 HydrophobicContact CD1-CE2 4.41Å; Y42-F67 HydrophobicContact CD2-CE2 4.13Å; Y42-F67 HydrophobicContact CE1-CD2 4.49Å; Y42-F67 HydrophobicContact CE1-CE2 4.27Å; Y42-F67 HydrophobicContact CE2-CE2 4.03Å; Y42-F67 HydrophobicContact CG-CE2 4.33Å; L51-F67 HydrophobicContact CB-CB 4.48Å; L51-F67 HydrophobicContact CB-CD1 3.74Å; L51-F67 HydrophobicContact CB-CD2 4.36Å; L51-F67 HydrophobicContact CB-CE1 4.02Å; L51-F67 HydrophobicContact CB-CG 3.92Å; L51-F67 HydrophobicContact CB-CZ 4.43Å; L51-F67 HydrophobicContact CD1-CD1 4.48Å; L51-F67 HydrophobicContact CD1-CD2 3.6Å; L51-F67 HydrophobicContact CD1-CE2 3.73Å; L51-F67 HydrophobicContact CD1-CG 3.99Å; L51-F67 HydrophobicContact CD1-CZ 4.24Å; L51-F67 HydrophobicContact CG-CG 4.47Å; L52-F67 HydrophobicContact CD1-CE1 4.14Å; L52-F67 HydrophobicContact CD2-CD1 3.97Å; L52-F67 HydrophobicContact CD2-CE1 3.85Å; L52-F67 HydrophobicContact CG-CD1 4.22Å; L52-F67 HydrophobicContact CG-CE1 3.73Å; K63-F67 WeakPolarHBondContact O-CB 3.29Å; K63-F67 PolarHBondContact O-N 2.97Å; F64-F67 PolarHBondContact O-N 3.31Å; Y65-F67 VanDerWaalsContact C-N 3.35Å; Y65-F67 PolarHBondContact O-N 3.05Å; F67-K69 VanDerWaalsContact C-N 3.28Å; F67-K69 PolarHBondContact O-N 2.66Å; F67-H70 WeakPolarHBondContact O-CB 3.32Å; F67-H70 PolarHBondContact O-N 2.9Å; F67-L71 HydrophobicContact CD1-CD1 4.5Å; F67-L71 HydrophobicContact CE1-CD1 4.13Å; F67-L71 HydrophobicContact CE1-CD2 4.37Å; F67-L71 HydrophobicContact CE1-CG 4.49Å; F67-L71 HydrophobicContact CZ-CD2 4.41Å
68V93.3Very high93.3Very high0 Ų065.7 Ų65.70%030%0.3CS..Hα-helixtrans-64.3-34-178.5172.40000111.9L52 F64 Y65 H70 L71 Y72 L120 Y137 P152L52-V68 HydrophobicContact CD2-CG2 3.87Å; F64-V68 HydrophobicContact CD1-CG2 4.13Å; F64-V68 HydrophobicContact CD2-CG2 4.28Å; F64-V68 HydrophobicContact CE1-CB 4.34Å; F64-V68 HydrophobicContact CE1-CG2 3.69Å; F64-V68 HydrophobicContact CE2-CG2 3.87Å; F64-V68 HydrophobicContact CG-CG2 4.4Å; F64-V68 HydrophobicContact CZ-CG2 3.57Å; F64-V68 WeakPolarHBondContact O-CB 3.29Å; F64-V68 WeakPolarHBondContact O-CG2 3.41Å; F64-V68 PolarHBondContact O-N 3.08Å; Y65-V68 PolarHBondContact O-N 3Å; V68-H70 PolarHBondContact O-N 2.7Å; V68-L71 WeakPolarHBondContact O-CB 3.4Å; V68-L71 PolarHBondContact O-N 3.05Å; V68-Y72 HydrophobicContact CG1-CE2 4.3Å; V68-Y72 WeakPolarHBondContact O-CD2 3.49Å; V68-L120 HydrophobicContact CG1-CD2 3.99Å; V68-Y137 HydrophobicContact CG1-CE1 4.09Å; V68-Y137 WeakPolarHBondContact CG1-OH 3.49Å; V68-P152 HydrophobicContact CG1-CG 3.76Å
69K92.4Very high93.4Very high76 Ų7662.5 Ų62.533%0.3328%0.28SS..Hα-helixtrans-58.2-34174.3-175.8170.3175.7168.10112.3Y65 Q66 F67 L71 Y72 L138Y65-K69 HydrophobicContact CE2-CD 4.38Å; Y65-K69 VanDerWaalsContact O-CB 3.26Å; Y65-K69 WeakPolarHBondContact O-CB 3.38Å; Y65-K69 PolarHBondContact O-N 2.93Å; Q66-K69 PolarHBondContact O-N 2.74Å; F67-K69 VanDerWaalsContact C-N 3.28Å; F67-K69 PolarHBondContact O-N 2.66Å; K69-L71 VanDerWaalsContact C-N 3.27Å; K69-L71 PolarHBondContact O-N 3.19Å; K69-Y72 PolarHBondContact O-N 2.99Å; K69-L138 WeakPolarHBondContact CE-O 3.26Å; K69-L138 HydrophobicContact CG-CD2 3.85Å; K69-L138 PolarHBondContact NZ-O 3.47Å
70H89.6Confident93.3Very high110 Ų11054.9 Ų54.951%0.50925%0.254SS..Hα-helixtrans-73-15.7176.5-70.383.3000113.9Y42 Q66 F67 V68 Y72Y42-H70 WeakPolarHBondContact OH-CB 3.2Å; Q66-H70 PolarHBondContact O-N 3.33Å; Q66-H70 PolarHBondContact O-ND1 3.15Å; F67-H70 WeakPolarHBondContact O-CB 3.32Å; F67-H70 PolarHBondContact O-N 2.9Å; V68-H70 PolarHBondContact O-N 2.7Å; H70-Y72 VanDerWaalsContact C-N 3.27Å; H70-Y72 PolarHBondContact O-N 2.7Å
71L91.3Very high93.3Very high22 Ų2251.9 Ų51.912%0.11524%0.24CC..THydrogen-bonded Turntrans-80.3-6.7177.8-55.5-178.7000113.1L38 L52 F67 V68 K69 H73 I101 L120L38-L71 HydrophobicContact CD1-CD2 4.45Å; L52-L71 HydrophobicContact CD1-CD1 4.41Å; L52-L71 HydrophobicContact CD2-CD1 3.95Å; F67-L71 HydrophobicContact CD1-CD1 4.5Å; F67-L71 HydrophobicContact CE1-CD1 4.13Å; F67-L71 HydrophobicContact CE1-CD2 4.37Å; F67-L71 HydrophobicContact CE1-CG 4.49Å; F67-L71 HydrophobicContact CZ-CD2 4.41Å; V68-L71 WeakPolarHBondContact O-CB 3.4Å; V68-L71 PolarHBondContact O-N 3.05Å; K69-L71 VanDerWaalsContact C-N 3.27Å; K69-L71 PolarHBondContact O-N 3.19Å; L71-H73 PolarHBondContact O-CD2 2.98Å; L71-H73 VanDerWaalsContact O-CD2 3.25Å; L71-H73 PolarHBondContact O-N 3.04Å; L71-I101 HydrophobicContact CD1-CD1 4.42Å; L71-L120 HydrophobicContact CB-CD1 3.89Å; L71-L120 WeakPolarHBondContact O-CD1 3.34Å
72Y93.8Very high93.5Very high23 Ų2350.1 Ų50.19%0.0923%0.228CC..  trans-82.4113.9178.3-77.2-100.2000111.9V68 K69 H70 L120 Y121 W134 Y137 L138 P152V68-Y72 HydrophobicContact CG1-CE2 4.3Å; V68-Y72 WeakPolarHBondContact O-CD2 3.49Å; K69-Y72 PolarHBondContact O-N 2.99Å; H70-Y72 VanDerWaalsContact C-N 3.27Å; H70-Y72 PolarHBondContact O-N 2.7Å; Y72-L120 HydrophobicContact CD1-CB 4.42Å; Y72-L120 HydrophobicContact CE1-CB 3.9Å; Y72-L120 WeakPolarHBondContact CE1-O 3.45Å; Y72-L120 HydrophobicContact CE2-CB 4.39Å; Y72-L120 HydrophobicContact CE2-CD2 4.05Å; Y72-L120 VanDerWaalsContact CZ-O 3.26Å; Y72-L120 PolarHBondContact OH-O 3.48Å; Y72-Y121 HydrophobicContact CD1-CE1 4.15Å; Y72-Y121 HydrophobicContact CE1-CD1 4.45Å; Y72-Y121 HydrophobicContact CE1-CE1 4.47Å; Y72-W134 AromaticContact CD1-CE3 4Å; Y72-W134 HydrophobicContact CD1-CE3 4Å; Y72-W134 HydrophobicContact CD1-CZ3 4.42Å; Y72-W134 HydrophobicContact CE1-CB 4.16Å; Y72-W134 HydrophobicContact CE1-CD2 4.45Å; Y72-W134 AromaticContact CE1-CE3 3.96Å; Y72-W134 HydrophobicContact CE1-CE3 3.96Å; Y72-Y137 AromaticContact CE2-CD1 3.97Å; Y72-Y137 HydrophobicContact CE2-CD1 3.97Å; Y72-Y137 AromaticContact CE2-CE1 3.79Å; Y72-Y137 HydrophobicContact CE2-CE1 3.79Å; Y72-Y137 AromaticContact CZ-CD1 3.93Å; Y72-Y137 WeakPolarHBondContact OH-CD1 3.28Å; Y72-L138 HydrophobicContact CD1-CD1 4.35Å; Y72-L138 HydrophobicContact CD1-CD2 4.2Å; Y72-L138 HydrophobicContact CD2-CD2 3.6Å; Y72-L138 HydrophobicContact CE1-CD2 4.49Å; Y72-L138 HydrophobicContact CE2-CD2 3.91Å; Y72-L138 HydrophobicContact CG-CD1 4.44Å; Y72-L138 HydrophobicContact CG-CD2 3.73Å; Y72-L138 HydrophobicContact CG-CG 4.5Å; Y72-P152 WeakPolarHBondContact OH-CG 3.41Å
73H92.4Very high93.5Very high53 Ų5352.2 Ų52.225%0.24523%0.232CC..  trans-105.771.8172.6-61.8-89.7000110.5V32 P33 L71 E75 A76V32-H73 HydrophobicContact CG2-CB 3.89Å; P33-H73 WeakPolarHBondContact CD-CE1 3.02Å; P33-H73 WeakPolarHBondContact CD-NE2 3.47Å; L71-H73 PolarHBondContact O-CD2 2.98Å; L71-H73 VanDerWaalsContact O-CD2 3.25Å; L71-H73 PolarHBondContact O-N 3.04Å; H73-E75 PolarHBondContact O-N 3.48Å; H73-E75 VanDerWaalsContact O-N 3.14Å; H73-A76 HydrophobicContact CB-CB 3.8Å; H73-A76 WeakPolarHBondContact O-CB 3.23Å; H73-A76 PolarHBondContact O-N 3.27Å
74K88.4Confident93.6Very high134 Ų13449.7 Ų49.758%0.58322%0.221SC*.THydrogen-bonded Turntrans-59.2-26.5-173.762.8176.7-176.2179.80115.3W134K74-W134 HydrophobicContact CB-CH2 4.28Å
75E92.4Very high93.7Very high133 Ų13349.6 Ų49.662%0.62122%0.221SC*.THydrogen-bonded Turntrans-89.2-10.2178.3-54.5-51.1146.700112.6H73 R77H73-E75 PolarHBondContact O-N 3.48Å; H73-E75 VanDerWaalsContact O-N 3.14Å; E75-R77 PolarHBondContact O-N 2.89Å
76A94.8Very high93.7Very high17 Ų1749.6 Ų49.614%0.1422%0.223CC..  trans-62.7134.5179.200000110S30 V32 H73 L104S30-A76 WeakPolarHBondContact O-CB 3.4Å; V32-A76 HydrophobicContact CG2-CB 3.8Å; H73-A76 HydrophobicContact CB-CB 3.8Å; H73-A76 WeakPolarHBondContact O-CB 3.23Å; H73-A76 PolarHBondContact O-N 3.27Å; A76-L104 HydrophobicContact CB-CD2 4.14Å
77R96.7Very high93.5Very high173 Ų17346.9 Ų46.965%0.65321%0.211SC*.  trans-119.4149.2177.5-59.4-60.3178.2-178.1-3.7109.6S30 E75 N79S30-R77 WeakPolarHBondContact CB-O 3.39Å; S30-R77 PolarHBondContact OG-O 3.39Å; E75-R77 PolarHBondContact O-N 2.89Å; R77-N79 PolarHBondContact O-N 2.95Å
78P96.9Very high93.6Very high18 Ų1846.7 Ų46.712%0.11721%0.21CC..  trans-55.6133.8175.5-21.230.5000110.7H82 R83 L104 A107 A108P78-H82 HydrophobicContact CB-CB 3.79Å; P78-R83 HydrophobicContact CB-CG 4.39Å; P78-R83 PolarHBondContact O-NH1 2.74Å; P78-L104 WeakPolarHBondContact CG-O 3.15Å; P78-A107 HydrophobicContact CG-CB 3.72Å; P78-A108 HydrophobicContact CB-CB 3.76Å; P78-A108 HydrophobicContact CG-CB 4.04Å
79N95.5Very high93.6Very high15 Ų1548 Ų488%0.0822%0.216CC..  trans-90.8-171175.262.941000111.6V26 P29 S30 R77 I81 H82 R83V26-N79 PolarHBondContact O-ND2 3.2Å; P29-N79 HydrophobicContact CB-CB 4.29Å; S30-N79 WeakPolarHBondContact OG-CB 3.49Å; S30-N79 PolarHBondContact OG-N 3.32Å; S30-N79 PolarHBondContact OG-ND2 2.99Å; R77-N79 PolarHBondContact O-N 2.95Å; N79-I81 VanDerWaalsContact C-N 3.26Å; N79-I81 PolarHBondContact O-N 2.72Å; N79-I81 VanDerWaalsContact OD1-CB 3.27Å; N79-I81 WeakPolarHBondContact OD1-CB 3.46Å; N79-I81 PolarHBondContact OD1-N 2.82Å; N79-H82 PolarHBondContact N-ND1 2.82Å; N79-H82 PolarHBondContact O-N 2.85Å; N79-H82 PolarHBondContact OD1-ND1 3.15Å; N79-R83 WeakPolarHBondContact O-CG 3.46Å; N79-R83 PolarHBondContact O-N 2.92Å; N79-R83 VanDerWaalsContact O-N 3.16Å
80S92.1Very high93.5Very high17 Ų1751 Ų5112%0.11923%0.229CC..Hα-helixtrans-56-37.2179.847.10000113.2E84S80-E84 VanDerWaalsContact O-CB 3.23Å; S80-E84 WeakPolarHBondContact O-CB 3.48Å; S80-E84 PolarHBondContact O-N 3.44Å
81I96.3Very high93.4Very high0 Ų050 Ų500%023%0.231CC..Hα-helixtrans-61.9-53.9-179.1-55.8171.6000110.7V26 N79 E84 M85 T226 F229V26-I81 HydrophobicContact CB-CD1 4.18Å; V26-I81 HydrophobicContact CB-CG2 4.08Å; V26-I81 HydrophobicContact CG1-CG2 4.27Å; N79-I81 VanDerWaalsContact C-N 3.26Å; N79-I81 PolarHBondContact O-N 2.72Å; N79-I81 VanDerWaalsContact OD1-CB 3.27Å; N79-I81 WeakPolarHBondContact OD1-CB 3.46Å; N79-I81 PolarHBondContact OD1-N 2.82Å; I81-E84 PolarHBondContact O-N 2.97Å; I81-M85 HydrophobicContact CG2-CE 3.48Å; I81-M85 VanDerWaalsContact CG2-CE 3.48Å; I81-M85 HydrophobicContact CG2-SD 4.37Å; I81-M85 WeakPolarHBondContact O-CG 3.49Å; I81-M85 PolarHBondContact O-N 2.93Å; I81-M85 VanDerWaalsContact O-N 3.09Å; I81-T226 HydrophobicContact CD1-CG2 4.1Å; I81-T226 HydrophobicContact CG1-CG2 4.23Å; I81-F229 HydrophobicContact CB-CB 4.39Å; I81-F229 HydrophobicContact CB-CD2 4.16Å; I81-F229 HydrophobicContact CB-CG 4.19Å; I81-F229 HydrophobicContact CG1-CB 4.07Å; I81-F229 HydrophobicContact CG1-CD2 3.85Å; I81-F229 HydrophobicContact CG1-CG 4.11Å; I81-F229 HydrophobicContact CG2-CD1 4.26Å; I81-F229 HydrophobicContact CG2-CD2 3.71Å; I81-F229 HydrophobicContact CG2-CE1 4.3Å; I81-F229 HydrophobicContact CG2-CE2 3.78Å; I81-F229 HydrophobicContact CG2-CG 3.98Å; I81-F229 HydrophobicContact CG2-CZ 4.09Å
82H97.9Very high93.4Very high0 Ų050.9 Ų50.90%023%0.234CC..Hα-helixtrans-62.4-46.2-178.7-57.187.9000111.7V26 P78 N79 E84 M85 A86 L104 H105 A108V26-H82 PolarHBondContact O-CE1 3.08Å; V26-H82 VanDerWaalsContact O-CE1 3.23Å; P78-H82 HydrophobicContact CB-CB 3.79Å; N79-H82 PolarHBondContact N-ND1 2.82Å; N79-H82 PolarHBondContact O-N 2.85Å; N79-H82 PolarHBondContact OD1-ND1 3.15Å; H82-E84 VanDerWaalsContact C-N 3.34Å; H82-E84 PolarHBondContact O-N 3.03Å; H82-M85 PolarHBondContact O-N 2.91Å; H82-A86 PolarHBondContact O-N 2.59Å; H82-A86 VanDerWaalsContact O-N 3.1Å; H82-L104 WeakPolarHBondContact NE2-CB 3.35Å; H82-H105 AromaticContact CD2-CE1 3.54Å; H82-H105 AromaticContact CD2-CG 3.81Å; H82-H105 AromaticContact CD2-ND1 3.4Å; H82-H105 PolarHBondContact CD2-ND1 2.89Å; H82-H105 AromaticContact CD2-NE2 4Å; H82-A108 HydrophobicContact CB-CB 3.68Å
83R94.3Very high93.6Very high142 Ų14252.9 Ų52.954%0.53625%0.246SC..Hα-helixtrans-63.5-40.4-179.4-72.7-170-68.1-106.31.1112P78 N79 A86 Q87P78-R83 HydrophobicContact CB-CG 4.39Å; P78-R83 PolarHBondContact O-NH1 2.74Å; N79-R83 WeakPolarHBondContact O-CG 3.46Å; N79-R83 PolarHBondContact O-N 2.92Å; N79-R83 VanDerWaalsContact O-N 3.16Å; R83-A86 PolarHBondContact O-N 2.82Å; R83-Q87 VanDerWaalsContact O-CB 3.23Å; R83-Q87 WeakPolarHBondContact O-CB 3.42Å; R83-Q87 PolarHBondContact O-N 2.94Å
84E93.4Very high93.8Very high9 Ų950.3 Ų50.34%0.04223%0.234CC..Hα-helixtrans-70.9-38.4-179.5-17457-146.400111.7S80 I81 H82 Q87 M88 F229 L232 T233 K237S80-E84 VanDerWaalsContact O-CB 3.23Å; S80-E84 WeakPolarHBondContact O-CB 3.48Å; S80-E84 PolarHBondContact O-N 3.44Å; I81-E84 PolarHBondContact O-N 2.97Å; H82-E84 VanDerWaalsContact C-N 3.34Å; H82-E84 PolarHBondContact O-N 3.03Å; E84-Q87 PolarHBondContact O-N 2.85Å; E84-M88 HydrophobicContact CG-CE 4.09Å; E84-M88 WeakPolarHBondContact O-CB 3.44Å; E84-M88 VanDerWaalsContact O-CG 3.31Å; E84-M88 WeakPolarHBondContact O-CG 3.31Å; E84-M88 PolarHBondContact O-N 2.88Å; E84-F229 HydrophobicContact CB-CB 4.46Å; E84-F229 HydrophobicContact CB-CD1 4.1Å; E84-F229 HydrophobicContact CG-CD1 4.15Å; E84-L232 HydrophobicContact CG-CB 3.57Å; E84-L232 HydrophobicContact CG-CD1 4.4Å; E84-T233 WeakPolarHBondContact OE2-CA 3.5Å; E84-K237 IonicContact OE1-NZ 2.74Å
85M96.2Very high94.3Very high0 Ų047.3 Ų47.30%022%0.219CC..Hα-helixtrans-57.5-50.5171.5-70.1176.6-171.800111.3F20 T22 I81 H82 Q87 M88 E89 V96 F229F20-M85 HydrophobicContact CB-CE 4.11Å; F20-M85 HydrophobicContact CB-SD 4.06Å; F20-M85 HydrophobicContact CD1-CE 3.6Å; F20-M85 HydrophobicContact CD1-CG 4.37Å; F20-M85 HydrophobicContact CD1-SD 4.27Å; F20-M85 HydrophobicContact CD2-CG 4Å; F20-M85 HydrophobicContact CD2-SD 4.29Å; F20-M85 HydrophobicContact CE1-CE 4.2Å; F20-M85 HydrophobicContact CE1-CG 4.47Å; F20-M85 HydrophobicContact CE2-CG 4.11Å; F20-M85 HydrophobicContact CG-CE 3.87Å; F20-M85 HydrophobicContact CG-CG 4.14Å; F20-M85 HydrophobicContact CG-SD 3.95Å; F20-M85 HydrophobicContact CZ-CG 4.35Å; T22-M85 HydrophobicContact CG2-CE 3.8Å; T22-M85 HydrophobicContact CG2-SD 4.13Å; I81-M85 HydrophobicContact CG2-CE 3.48Å; I81-M85 VanDerWaalsContact CG2-CE 3.48Å; I81-M85 HydrophobicContact CG2-SD 4.37Å; I81-M85 WeakPolarHBondContact O-CG 3.49Å; I81-M85 PolarHBondContact O-N 2.93Å; I81-M85 VanDerWaalsContact O-N 3.09Å; H82-M85 PolarHBondContact O-N 2.91Å; M85-Q87 VanDerWaalsContact C-N 3.33Å; M85-Q87 PolarHBondContact O-N 2.86Å; M85-M88 HydrophobicContact CG-CE 4.47Å; M85-M88 PolarHBondContact O-N 3.05Å; M85-E89 PolarHBondContact O-N 2.87Å; M85-V96 HydrophobicContact CB-CG2 4.17Å; M85-V96 HydrophobicContact SD-CG2 4.16Å; M85-F229 HydrophobicContact CE-CE1 3.62Å; M85-F229 HydrophobicContact CE-CE2 4.08Å; M85-F229 HydrophobicContact CE-CZ 3.31Å; M85-F229 HydrophobicContact CG-CE1 3.87Å
86A95.5Very high94.6Very high12 Ų1241 Ų4110%0.09919%0.189CC..Hα-helixtrans-64.2-34.9177.500000113.1H82 R83 E89 A108H82-A86 PolarHBondContact O-N 2.59Å; H82-A86 VanDerWaalsContact O-N 3.1Å; R83-A86 PolarHBondContact O-N 2.82Å; A86-E89 WeakPolarHBondContact O-CB 3.34Å; A86-A108 HydrophobicContact CB-CB 4.24Å; A86-A108 WeakPolarHBondContact CB-O 3.38Å
87Q90.5Very high94.8Very high20 Ų2040.1 Ų40.19%0.09318%0.183CC..Hα-helixtrans-69.6-40.2176.6179.660.323.600111.6R83 E84 M85 E89 K90R83-Q87 VanDerWaalsContact O-CB 3.23Å; R83-Q87 WeakPolarHBondContact O-CB 3.42Å; R83-Q87 PolarHBondContact O-N 2.94Å; E84-Q87 PolarHBondContact O-N 2.85Å; M85-Q87 VanDerWaalsContact C-N 3.33Å; M85-Q87 PolarHBondContact O-N 2.86Å; Q87-E89 VanDerWaalsContact C-N 3.27Å; Q87-E89 PolarHBondContact O-N 2.84Å; Q87-K90 WeakPolarHBondContact O-CB 3.38Å; Q87-K90 PolarHBondContact O-N 2.97Å; Q87-K90 VanDerWaalsContact O-N 3.14Å
88M92Very high94.9Very high6 Ų631.9 Ų31.93%0.0315%0.152CC..Hα-helixtrans-61.5-34.6176.8-75.9-172.5-73.600112.2I12 F20 E84 M85 K90 T91 K92 V94 F229 L232I12-M88 HydrophobicContact CG2-CE 4.43Å; I12-M88 HydrophobicContact CG2-SD 3.86Å; F20-M88 HydrophobicContact CE1-CE 4.48Å; F20-M88 HydrophobicContact CE2-CE 3.84Å; F20-M88 HydrophobicContact CZ-CE 3.48Å; F20-M88 VanDerWaalsContact CZ-CE 3.48Å; E84-M88 HydrophobicContact CG-CE 4.09Å; E84-M88 WeakPolarHBondContact O-CB 3.44Å; E84-M88 VanDerWaalsContact O-CG 3.31Å; E84-M88 WeakPolarHBondContact O-CG 3.31Å; E84-M88 PolarHBondContact O-N 2.88Å; M85-M88 HydrophobicContact CG-CE 4.47Å; M85-M88 PolarHBondContact O-N 3.05Å; M88-K90 PolarHBondContact O-N 3.4Å; M88-T91 PolarHBondContact O-N 3.32Å; M88-T91 PolarHBondContact O-OG1 3.19Å; M88-K92 WeakPolarHBondContact O-CB 3.45Å; M88-K92 PolarHBondContact O-N 2.88Å; M88-V94 HydrophobicContact CB-CG2 3.98Å; M88-F229 HydrophobicContact CE-CE1 4.21Å; M88-L232 HydrophobicContact CE-CD1 4.45Å
89E93.9Very high94.8Very high29 Ų2932 Ų3214%0.13615%0.151CC..THydrogen-bonded Turntrans-54.7-24175.1-69.9174.3-145.900113.2M85 A86 Q87 T91 K92 V94 S110 Q111 H112M85-E89 PolarHBondContact O-N 2.87Å; A86-E89 WeakPolarHBondContact O-CB 3.34Å; Q87-E89 VanDerWaalsContact C-N 3.27Å; Q87-E89 PolarHBondContact O-N 2.84Å; E89-T91 VanDerWaalsContact C-N 3.29Å; E89-T91 PolarHBondContact O-N 2.86Å; E89-K92 CarbonylContact C-O 3.55Å; E89-K92 VanDerWaalsContact O-O 3.09Å; E89-V94 HydrophobicContact CB-CB 4.41Å; E89-V94 HydrophobicContact CG-CB 3.58Å; E89-V94 HydrophobicContact CG-CG1 3.79Å; E89-S110 WeakPolarHBondContact OE1-CA 3.33Å; E89-S110 WeakPolarHBondContact OE1-CB 3.39Å; E89-S110 PolarHBondContact OE1-OG 3.45Å; E89-Q111 PolarHBondContact OE2-N 3.04Å; E89-H112 PolarHBondContact OE2-N 2.95Å
90K88.8Confident94.8Very high137 Ų13731.9 Ų31.960%0.59615%0.15SC*.THydrogen-bonded Turntrans-71.1-22.4178.6-61.7179.7-176165.90113.8Q87 M88Q87-K90 WeakPolarHBondContact O-CB 3.38Å; Q87-K90 PolarHBondContact O-N 2.97Å; Q87-K90 VanDerWaalsContact O-N 3.14Å; M88-K90 PolarHBondContact O-N 3.4Å
91T87.2Confident95Very high90 Ų9032.7 Ų32.755%0.55215%0.152SC*.THydrogen-bonded Turntrans-125.8-14.2-174.160.10000113.4M88 E89M88-T91 PolarHBondContact O-N 3.32Å; M88-T91 PolarHBondContact O-OG1 3.19Å; E89-T91 VanDerWaalsContact C-N 3.29Å; E89-T91 PolarHBondContact O-N 2.86Å
92K93.2Very high94.9Very high41 Ų4133.4 Ų33.418%0.17816%0.156CC..SBendtrans-130.7159.6-175.9-64.8-176.1177-158.30110I12 Q13 N15 R16 I18 M88 E89 V94I12-K92 PolarHBondContact O-NZ 3.44Å; Q13-K92 PolarHBondContact O-NZ 2.9Å; N15-K92 WeakPolarHBondContact O-CD 3.28Å; N15-K92 WeakPolarHBondContact O-CE 3.29Å; N15-K92 PolarHBondContact O-NZ 2.87Å; R16-K92 WeakPolarHBondContact O-CB 3.47Å; I18-K92 HydrophobicContact CD1-CD 4.07Å; M88-K92 WeakPolarHBondContact O-CB 3.45Å; M88-K92 PolarHBondContact O-N 2.88Å; E89-K92 CarbonylContact C-O 3.55Å; E89-K92 VanDerWaalsContact O-O 3.09Å; K92-V94 HydrophobicContact CB-CG2 3.74Å; K92-V94 PolarHBondContact O-N 2.82Å
93D96.6Very high94.8Very high64 Ų6434.2 Ų34.234%0.34217%0.165SC..EExtended strand (participates in β ladder)trans-84.993.3170.3-176.77.1000107.5R16 K17 I18R16-D93 PolarHBondContact O-N 3.07Å; K17-D93 CarbonylContact C-O 3.58Å; K17-D93 VanDerWaalsContact CA-O 3.3Å; K17-D93 WeakPolarHBondContact CA-O 3.26Å; K17-D93 HydrophobicContact CG-CB 4.16Å; I18-D93 PolarHBondContact N-O 2.83Å
94V98.1Very high95Very high0 Ų027.7 Ų27.70%014%0.14CC..EExtended strand (participates in β ladder)trans-114.1133.7-175.5170.80000108.8I18 F20 M88 E89 K92 H112I18-V94 HydrophobicContact CB-CG2 4.23Å; I18-V94 CarbonylContact O-C 3.5Å; I18-V94 VanDerWaalsContact O-CA 3.3Å; I18-V94 WeakPolarHBondContact O-CA 3.06Å; F20-V94 HydrophobicContact CD2-CG1 3.71Å; F20-V94 HydrophobicContact CE2-CG1 3.61Å; M88-V94 HydrophobicContact CB-CG2 3.98Å; E89-V94 HydrophobicContact CB-CB 4.41Å; E89-V94 HydrophobicContact CG-CB 3.58Å; E89-V94 HydrophobicContact CG-CG1 3.79Å; K92-V94 HydrophobicContact CB-CG2 3.74Å; K92-V94 PolarHBondContact O-N 2.82Å; V94-H112 WeakPolarHBondContact O-CB 3.47Å; V94-H112 PolarHBondContact O-ND1 2.93Å; V94-H112 VanDerWaalsContact O-ND1 3.07Å
95W98.6Very high95.2Very high70 Ų7027.4 Ų27.427%0.26514%0.139SC..EExtended strand (participates in β ladder)trans-119.4143.4169.8-80.575.5000109.9I18 T19 F20 H112 V114 A172I18-W95 PolarHBondContact O-N 3.43Å; T19-W95 CarbonylContact C-O 3.54Å; T19-W95 WeakPolarHBondContact CA-O 3.3Å; F20-W95 PolarHBondContact N-O 2.95Å; W95-H112 WeakPolarHBondContact CA-O 3.48Å; W95-H112 HydrophobicContact CD2-CB 3.76Å; W95-H112 HydrophobicContact CE3-CB 4.07Å; W95-H112 HydrophobicContact CG-CB 3.99Å; W95-H112 HydrophobicContact CZ2-CB 4.43Å; W95-H112 AromaticContact NE1-ND1 3.98Å; W95-V114 HydrophobicContact CE3-CG2 3.97Å; W95-V114 HydrophobicContact CZ3-CG2 3.8Å; W95-A172 HydrophobicContact CB-CB 3.76Å; W95-A172 HydrophobicContact CD2-CB 3.87Å; W95-A172 HydrophobicContact CE3-CB 3.95Å; W95-A172 HydrophobicContact CG-CB 3.81Å
96V98.7Very high95.2Very high0 Ų030 Ų300%016%0.161CC..EExtended strand (participates in β ladder)trans-117119171.1-177.70000108.3F20 T22 M85 H112 L113 V114F20-V96 HydrophobicContact CB-CG2 4.43Å; F20-V96 HydrophobicContact CD2-CG2 4.48Å; T22-V96 HydrophobicContact CG2-CG1 4.41Å; M85-V96 HydrophobicContact CB-CG2 4.17Å; M85-V96 HydrophobicContact SD-CG2 4.16Å; V96-H112 PolarHBondContact N-O 2.9Å; V96-L113 HydrophobicContact CB-CD1 3.97Å; V96-L113 HydrophobicContact CG1-CD1 3.9Å; V96-L113 CarbonylContact O-C 3.58Å; V96-L113 WeakPolarHBondContact O-CA 3.45Å; V96-V114 PolarHBondContact O-N 2.75Å
97V98.5Very high95.2Very high0 Ų032.9 Ų32.90%018%0.184CC..EExtended strand (participates in β ladder)trans-110.6110.2170.6-167.40000107T19 F20 L21 T22 V114 F116 A169 A172 F191 L194T19-V97 HydrophobicContact CG2-CG2 4Å; F20-V97 PolarHBondContact O-N 3.09Å; L21-V97 WeakPolarHBondContact CA-O 3.47Å; L21-V97 HydrophobicContact CD2-CB 3.68Å; L21-V97 HydrophobicContact CD2-CG1 4.41Å; L21-V97 HydrophobicContact CD2-CG2 4.03Å; T22-V97 PolarHBondContact N-O 3.21Å; V97-V114 WeakPolarHBondContact CA-O 3.43Å; V97-V114 HydrophobicContact CB-CB 4.37Å; V97-V114 HydrophobicContact CG1-CB 3.97Å; V97-V114 HydrophobicContact CG1-CG1 4.1Å; V97-V114 HydrophobicContact CG2-CB 4.28Å; V97-V114 HydrophobicContact CG2-CG2 4.42Å; V97-F116 HydrophobicContact CG1-CB 4.3Å; V97-F116 HydrophobicContact CG1-CD2 3.98Å; V97-A169 HydrophobicContact CG1-CB 3.74Å; V97-A172 HydrophobicContact CG2-CB 3.91Å; V97-F191 HydrophobicContact CB-CE2 4.35Å; V97-F191 HydrophobicContact CG1-CE2 3.76Å; V97-F191 WeakPolarHBondContact O-CZ 3.29Å; V97-L194 HydrophobicContact CG1-CD1 4.1Å
98S97.9Very high95.5Very high0 Ų033.1 Ų33.10%019%0.19CC..EExtended strand (participates in β ladder)trans-113.2135-169.6-173.40000111.9T22 N100 V114 F116T22-S98 WeakPolarHBondContact OG1-CA 3.3Å; T22-S98 VanDerWaalsContact OG1-CB 3.3Å; T22-S98 WeakPolarHBondContact OG1-CB 3.38Å; T22-S98 PolarHBondContact OG1-OG 2.91Å; T22-S98 VanDerWaalsContact OG1-OG 3.09Å; S98-N100 WeakPolarHBondContact OG-CB 3.5Å; S98-N100 PolarHBondContact OG-N 3.01Å; S98-V114 PolarHBondContact N-O 3.01Å; S98-F116 VanDerWaalsContact O-CB 3.24Å; S98-F116 WeakPolarHBondContact O-CB 3.29Å; S98-F116 PolarHBondContact O-N 2.86Å
99Q95.7Very high95.7Very high20 Ų2034.4 Ų34.49%0.09320%0.204CC..  trans-76.1-14.7165.2-68.6168.992.900112.5T22 H117 T184 F191T22-Q99 PolarHBondContact O-N 3.07Å; T22-Q99 PolarHBondContact O-NE2 3.26Å; Q99-H117 WeakPolarHBondContact CA-ND1 3.39Å; Q99-H117 PolarHBondContact O-ND1 2.85Å; Q99-T184 PolarHBondContact NE2-OG1 3.15Å; Q99-F191 VanDerWaalsContact CD-CE1 3.42Å; Q99-F191 HydrophobicContact CG-CB 4.15Å; Q99-F191 HydrophobicContact CG-CD1 3.39Å; Q99-F191 HydrophobicContact CG-CD2 3.63Å; Q99-F191 HydrophobicContact CG-CE1 3.52Å; Q99-F191 HydrophobicContact CG-CE2 3.73Å; Q99-F191 HydrophobicContact CG-CG 3.43Å; Q99-F191 VanDerWaalsContact CG-CG 3.43Å; Q99-F191 HydrophobicContact CG-CZ 3.68Å; Q99-F191 VanDerWaalsContact NE2-CD1 3.34Å
100N95.7Very high95.8Very high12 Ų1233.4 Ų33.46%0.06420%0.201CC..  trans-78.8143.5-173.2-59.6-7000110.9G23 A24 S27 S98 D102G23-N100 WeakPolarHBondContact CA-OD1 3.34Å; G23-N100 PolarHBondContact O-ND2 3.26Å; G23-N100 PolarHBondContact O-OD1 2.87Å; A24-N100 VanDerWaalsContact CA-OD1 3.26Å; A24-N100 WeakPolarHBondContact CA-OD1 3.45Å; A24-N100 PolarHBondContact N-OD1 3.36Å; S27-N100 PolarHBondContact OG-ND2 3.15Å; S98-N100 WeakPolarHBondContact OG-CB 3.5Å; S98-N100 PolarHBondContact OG-N 3.01Å; N100-D102 WeakPolarHBondContact CB-OD2 3.38Å
101I95Very high96.1Very high34 Ų3434.3 Ų34.317%0.17421%0.207CC..  trans-107.29.2-179.858.8176.8000112.2L71 H117 L120 I154L71-I101 HydrophobicContact CD1-CD1 4.42Å; I101-H117 HydrophobicContact CG2-CB 3.87Å; I101-H117 WeakPolarHBondContact CG2-O 3.4Å; I101-L120 HydrophobicContact CB-CG 4.09Å; I101-L120 HydrophobicContact CD1-CD1 3.97Å; I101-L120 HydrophobicContact CD1-CD2 3.9Å; I101-L120 HydrophobicContact CD1-CG 3.75Å; I101-L120 HydrophobicContact CG1-CD1 3.91Å; I101-L120 HydrophobicContact CG1-CG 3.81Å; I101-L120 WeakPolarHBondContact O-CB 3.3Å; I101-L120 WeakPolarHBondContact O-CG 3.46Å; I101-L120 PolarHBondContact O-N 2.88Å; I101-I154 HydrophobicContact CB-CG2 3.88Å; I101-I154 HydrophobicContact CD1-CD1 4.47Å; I101-I154 HydrophobicContact CD1-CG2 4.01Å; I101-I154 HydrophobicContact CG2-CB 4.34Å; I101-I154 HydrophobicContact CG2-CG2 3.76Å
102D95.4Very high96.6Very high15 Ų1533.5 Ų33.58%0.0820%0.197CC..SBendtrans-85.5-4.3-171.361.430.9000115.1S27 V32 N100 L104 Y121S27-D102 VanDerWaalsContact CB-OD2 3.23Å; S27-D102 WeakPolarHBondContact CB-OD2 3.25Å; S27-D102 PolarHBondContact OG-OD2 2.88Å; V32-D102 HydrophobicContact CG1-CB 4.46Å; N100-D102 WeakPolarHBondContact CB-OD2 3.38Å; D102-L104 HydrophobicContact CB-CD1 4.49Å; D102-L104 HydrophobicContact CB-CG 4.21Å; D102-L104 PolarHBondContact O-N 3.42Å; D102-L104 VanDerWaalsContact O-N 3.09Å; D102-L104 WeakPolarHBondContact OD1-CB 3.07Å; D102-L104 PolarHBondContact OD1-N 2.91Å; D102-Y121 WeakPolarHBondContact O-CE2 3.41Å
103G95.5Very high96.8Very high17 Ų1733 Ų3318%0.17520%0.196CC..  trans65.96.5177.900000115.6H105 A106 A107G103-H105 PolarHBondContact O-N 3.49Å; G103-A106 PolarHBondContact O-N 3.16Å; G103-A107 WeakPolarHBondContact O-CB 3.46Å; G103-A107 PolarHBondContact O-N 2.81Å
104L98Very high96.9Very high5 Ų530.1 Ų30.13%0.02618%0.181CC..Hα-helixtrans-69.3-32.1-172.7-68.5179.9000113.2V32 A76 P78 H82 D102 A107 A108V32-L104 HydrophobicContact CG2-CD1 4.06Å; A76-L104 HydrophobicContact CB-CD2 4.14Å; P78-L104 WeakPolarHBondContact CG-O 3.15Å; H82-L104 WeakPolarHBondContact NE2-CB 3.35Å; D102-L104 HydrophobicContact CB-CD1 4.49Å; D102-L104 HydrophobicContact CB-CG 4.21Å; D102-L104 PolarHBondContact O-N 3.42Å; D102-L104 VanDerWaalsContact O-N 3.09Å; D102-L104 WeakPolarHBondContact OD1-CB 3.07Å; D102-L104 PolarHBondContact OD1-N 2.91Å; L104-A107 PolarHBondContact O-N 3.28Å; L104-A108 WeakPolarHBondContact O-CB 3.4Å; L104-A108 PolarHBondContact O-N 3.48Å
105H98.1Very high96.8Very high3 Ų332.1 Ų32.11%0.01419%0.192CC..Hα-helixtrans-64.7-45.1173.1-73.5-61.1000112T22 H82 G103 A107 A108 G109 S110 L113T22-H105 PolarHBondContact OG1-NE2 3.3Å; H82-H105 AromaticContact CD2-CE1 3.54Å; H82-H105 AromaticContact CD2-CG 3.81Å; H82-H105 AromaticContact CD2-ND1 3.4Å; H82-H105 PolarHBondContact CD2-ND1 2.89Å; H82-H105 AromaticContact CD2-NE2 4Å; G103-H105 PolarHBondContact O-N 3.49Å; H105-A107 VanDerWaalsContact C-N 3.34Å; H105-A107 PolarHBondContact O-N 3.02Å; H105-A108 WeakPolarHBondContact O-CB 3.39Å; H105-A108 PolarHBondContact O-N 2.66Å; H105-A108 VanDerWaalsContact O-N 3.15Å; H105-G109 PolarHBondContact O-N 3.38Å; H105-S110 WeakPolarHBondContact O-CB 3.39Å; H105-S110 PolarHBondContact O-N 3.13Å; H105-L113 HydrophobicContact CB-CD1 3.79Å; H105-L113 HydrophobicContact CB-CD2 3.85Å; H105-L113 HydrophobicContact CB-CG 4.47Å
106A96.5Very high96.8Very high55 Ų5528.9 Ų28.946%0.45518%0.179SC..Hα-helixtrans-62.9-42.3175.400000111.1G103 A108 G109 L113G103-A106 PolarHBondContact O-N 3.16Å; A106-A108 PolarHBondContact O-N 2.89Å; A106-G109 PolarHBondContact O-N 3.41Å; A106-L113 HydrophobicContact CB-CD2 3.94Å
107A96.4Very high96.6Very high72 Ų7230.4 Ų30.460%0.59519%0.186SC*.Hα-helixtrans-65.4-25.1175.600000113.4P78 G103 L104 H105 G109P78-A107 HydrophobicContact CG-CB 3.72Å; G103-A107 WeakPolarHBondContact O-CB 3.46Å; G103-A107 PolarHBondContact O-N 2.81Å; L104-A107 PolarHBondContact O-N 3.28Å; H105-A107 VanDerWaalsContact C-N 3.34Å; H105-A107 PolarHBondContact O-N 3.02Å; A107-G109 VanDerWaalsContact C-N 3.3Å
108A96Very high96.5Very high25 Ų2531.1 Ų31.121%0.20719%0.194CC..Hα-helixtrans-76.9-16.817200000113.3P78 H82 A86 L104 H105 A106P78-A108 HydrophobicContact CB-CB 3.76Å; P78-A108 HydrophobicContact CG-CB 4.04Å; H82-A108 HydrophobicContact CB-CB 3.68Å; A86-A108 HydrophobicContact CB-CB 4.24Å; A86-A108 WeakPolarHBondContact CB-O 3.38Å; L104-A108 WeakPolarHBondContact O-CB 3.4Å; L104-A108 PolarHBondContact O-N 3.48Å; H105-A108 WeakPolarHBondContact O-CB 3.39Å; H105-A108 PolarHBondContact O-N 2.66Å; H105-A108 VanDerWaalsContact O-N 3.15Å; A106-A108 PolarHBondContact O-N 2.89Å
109G95.7Very high96.4Very high33 Ų3331.6 Ų31.634%0.3420%0.197SC..THydrogen-bonded Turntrans101.210.1178.500000115.3H105 A106 A107 Q111H105-G109 PolarHBondContact O-N 3.38Å; A106-G109 PolarHBondContact O-N 3.41Å; A107-G109 VanDerWaalsContact C-N 3.3Å; G109-Q111 PolarHBondContact O-N 2.59Å; G109-Q111 PolarHBondContact O-NE2 2.9Å
110S96.9Very high96.4Very high9 Ų930.7 Ų30.76%0.06319%0.193CC..  trans-56.9124.4173.7-74.50000111E89 H105E89-S110 WeakPolarHBondContact OE1-CA 3.33Å; E89-S110 WeakPolarHBondContact OE1-CB 3.39Å; E89-S110 PolarHBondContact OE1-OG 3.45Å; H105-S110 WeakPolarHBondContact O-CB 3.39Å; H105-S110 PolarHBondContact O-N 3.13Å
111Q94.6Very high96.4Very high155 Ų15533 Ų3372%0.72420%0.201SC*.SBendtrans-96.3-39.5-179.1-61.1-60.3-52.700111.3E89 G109 L113E89-Q111 PolarHBondContact OE2-N 3.04Å; G109-Q111 PolarHBondContact O-N 2.59Å; G109-Q111 PolarHBondContact O-NE2 2.9Å; Q111-L113 VanDerWaalsContact C-N 3.27Å; Q111-L113 PolarHBondContact O-N 3.25Å; Q111-L113 VanDerWaalsContact O-N 3.15Å
112H97.6Very high96.4Very high74 Ų7436.3 Ų36.334%0.34322%0.216SC..SBendtrans-89.763.5177.7-63.8163.3000110.7E89 V94 W95 V96E89-H112 PolarHBondContact OE2-N 2.95Å; V94-H112 WeakPolarHBondContact O-CB 3.47Å; V94-H112 PolarHBondContact O-ND1 2.93Å; V94-H112 VanDerWaalsContact O-ND1 3.07Å; W95-H112 WeakPolarHBondContact CA-O 3.48Å; W95-H112 HydrophobicContact CD2-CB 3.76Å; W95-H112 HydrophobicContact CE3-CB 4.07Å; W95-H112 HydrophobicContact CG-CB 3.99Å; W95-H112 HydrophobicContact CZ2-CB 4.43Å; W95-H112 AromaticContact NE1-ND1 3.98Å; V96-H112 PolarHBondContact N-O 2.9Å
113L98Very high96.5Very high31 Ų3135.9 Ų35.916%0.16221%0.214CC..EExtended strand (participates in β ladder)trans-111.9128.4-173.2175.662.5000111.7V96 H105 A106 Q111V96-L113 HydrophobicContact CB-CD1 3.97Å; V96-L113 HydrophobicContact CG1-CD1 3.9Å; V96-L113 CarbonylContact O-C 3.58Å; V96-L113 WeakPolarHBondContact O-CA 3.45Å; H105-L113 HydrophobicContact CB-CD1 3.79Å; H105-L113 HydrophobicContact CB-CD2 3.85Å; H105-L113 HydrophobicContact CB-CG 4.47Å; A106-L113 HydrophobicContact CB-CD2 3.94Å; Q111-L113 VanDerWaalsContact C-N 3.27Å; Q111-L113 PolarHBondContact O-N 3.25Å; Q111-L113 VanDerWaalsContact O-N 3.15Å
114V98.1Very high96.6Very high2 Ų237.6 Ų37.61%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-110.8106.4168.3-176.10000108.6W95 V96 V97 S98 F116 V165 Q168 A169W95-V114 HydrophobicContact CE3-CG2 3.97Å; W95-V114 HydrophobicContact CZ3-CG2 3.8Å; V96-V114 PolarHBondContact O-N 2.75Å; V97-V114 WeakPolarHBondContact CA-O 3.43Å; V97-V114 HydrophobicContact CB-CB 4.37Å; V97-V114 HydrophobicContact CG1-CB 3.97Å; V97-V114 HydrophobicContact CG1-CG1 4.1Å; V97-V114 HydrophobicContact CG2-CB 4.28Å; V97-V114 HydrophobicContact CG2-CG2 4.42Å; S98-V114 PolarHBondContact N-O 3.01Å; V114-F116 PolarHBondContact O-N 3.18Å; V114-F116 VanDerWaalsContact O-N 3.08Å; V114-V165 HydrophobicContact CG1-CG1 3.82Å; V114-Q168 HydrophobicContact CG2-CB 3.78Å; V114-A169 HydrophobicContact CG1-CB 4.22Å
115N97.1Very high96.6Very high43 Ų4337.4 Ų37.423%0.2322%0.215CC..EExtended strand (participates in β ladder)trans-78.385.9171.8-69-37.6000109.1H117 G118N115-H117 VanDerWaalsContact C-N 3.33Å; N115-H117 PolarHBondContact O-N 2.95Å; N115-G118 PolarHBondContact O-N 3.41Å
116F97.2Very high96.5Very high1 Ų141.2 Ų41.20%0.00423%0.229CC..THydrogen-bonded Turntrans-62.2-39.3-168.3-162.2-95.4000112.7V97 S98 V114 F161 V165 I166 A169 P190 F191 L194V97-F116 HydrophobicContact CG1-CB 4.3Å; V97-F116 HydrophobicContact CG1-CD2 3.98Å; S98-F116 VanDerWaalsContact O-CB 3.24Å; S98-F116 WeakPolarHBondContact O-CB 3.29Å; S98-F116 PolarHBondContact O-N 2.86Å; V114-F116 PolarHBondContact O-N 3.18Å; V114-F116 VanDerWaalsContact O-N 3.08Å; F116-F161 HydrophobicContact CD1-CD1 4.24Å; F116-F161 AromaticContact CD1-CE1 3.55Å; F116-F161 HydrophobicContact CD1-CE1 3.55Å; F116-F161 HydrophobicContact CD1-CZ 4.27Å; F116-F161 HydrophobicContact CE1-CD1 4.01Å; F116-F161 AromaticContact CE1-CE1 3.43Å; F116-F161 HydrophobicContact CE1-CE1 3.43Å; F116-F161 VanDerWaalsContact CE1-CE1 3.43Å; F116-F161 AromaticContact CE1-CZ 3.88Å; F116-F161 HydrophobicContact CE1-CZ 3.88Å; F116-F161 HydrophobicContact CG-CE1 4.47Å; F116-F161 HydrophobicContact CZ-CD1 4.44Å; F116-F161 HydrophobicContact CZ-CE1 4.27Å; F116-F161 WeakPolarHBondContact O-CD1 3.45Å; F116-F161 VanDerWaalsContact O-CE1 3.28Å; F116-F161 WeakPolarHBondContact O-CE1 3.38Å; F116-V165 HydrophobicContact CD2-CG1 4.29Å; F116-I166 HydrophobicContact CE1-CD1 4.48Å; F116-I166 HydrophobicContact CE2-CD1 3.74Å; F116-I166 HydrophobicContact CZ-CD1 3.56Å; F116-A169 HydrophobicContact CD2-CB 3.79Å; F116-A169 HydrophobicContact CE2-CB 3.72Å; F116-P190 HydrophobicContact CE1-CG 4.09Å; F116-P190 HydrophobicContact CZ-CG 4.07Å; F116-F191 HydrophobicContact CB-CD2 3.87Å; F116-F191 HydrophobicContact CB-CE2 4.09Å; F116-F191 HydrophobicContact CD1-CB 3.88Å; F116-F191 AromaticContact CD1-CD2 3.54Å; F116-F191 HydrophobicContact CD1-CD2 3.54Å; F116-F191 HydrophobicContact CD1-CG 4.19Å; F116-F191 AromaticContact CD2-CD2 3.96Å; F116-F191 HydrophobicContact CD2-CD2 3.96Å; F116-F191 HydrophobicContact CD2-CE2 4.49Å; F116-F191 HydrophobicContact CE1-CB 3.67Å; F116-F191 AromaticContact CE1-CD2 3.97Å; F116-F191 HydrophobicContact CE1-CD2 3.97Å; F116-F191 HydrophobicContact CE1-CG 4.34Å; F116-F191 HydrophobicContact CE2-CD2 4.36Å; F116-F191 AromaticContact CG-CD2 3.52Å; F116-F191 HydrophobicContact CG-CD2 3.52Å; F116-F191 HydrophobicContact CG-CE2 4.16Å; F116-F191 HydrophobicContact CZ-CB 4.32Å; F116-F191 HydrophobicContact CZ-CD2 4.36Å; F116-L194 HydrophobicContact CD2-CD1 4.16Å; F116-L194 HydrophobicContact CE2-CD1 3.76Å; F116-L194 HydrophobicContact CE2-CD2 4.18Å; F116-L194 HydrophobicContact CE2-CG 4.27Å; F116-L194 HydrophobicContact CZ-CD1 4.28Å; F116-L194 HydrophobicContact CZ-CG 4.5Å
117H95.3Very high96.5Very high32 Ų3245.7 Ų45.715%0.14824%0.238CC..THydrogen-bonded Turntrans-97.314.5175-61.1148.9000113.4Q99 I101 N115 I154 V155 F161Q99-H117 WeakPolarHBondContact CA-ND1 3.39Å; Q99-H117 PolarHBondContact O-ND1 2.85Å; I101-H117 HydrophobicContact CG2-CB 3.87Å; I101-H117 WeakPolarHBondContact CG2-O 3.4Å; N115-H117 VanDerWaalsContact C-N 3.33Å; N115-H117 PolarHBondContact O-N 2.95Å; H117-I154 CarbonylContact O-C 3.58Å; H117-I154 VanDerWaalsContact O-CA 3.23Å; H117-I154 WeakPolarHBondContact O-CA 3.28Å; H117-V155 PolarHBondContact O-N 2.83Å; H117-F161 AromaticContact CD2-CE1 3.79Å; H117-F161 AromaticContact CD2-CZ 3.93Å
118G95.7Very high96.5Very high16 Ų1644.3 Ų44.317%0.16522%0.224CC..EExtended strand (participates in β ladder)trans79.7-155.3-179.700000114.2N115 K153N115-G118 PolarHBondContact O-N 3.41Å; G118-K153 CarbonylContact C-O 3.56Å; G118-K153 WeakPolarHBondContact CA-O 3.33Å
119S95.7Very high96.6Very high9 Ų949 Ų496%0.06324%0.242CC..EExtended strand (participates in β ladder)trans-142.1136-171.6178.70000112.3Y121 K153S119-Y121 PolarHBondContact O-N 3.12Å; S119-Y121 PolarHBondContact OG-N 3.47Å; S119-Y121 VanDerWaalsContact OG-N 3.13Å; S119-K153 PolarHBondContact N-O 2.94Å; S119-K153 CarbonylContact O-C 3.53Å; S119-K153 PolarHBondContact O-N 2.92Å
120L95.3Very high96.6Very high2 Ų254.3 Ų54.31%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-66.6-26.4169.6-73.6173000112.2V68 L71 Y72 I101 E122 P152 I154V68-L120 HydrophobicContact CG1-CD2 3.99Å; L71-L120 HydrophobicContact CB-CD1 3.89Å; L71-L120 WeakPolarHBondContact O-CD1 3.34Å; Y72-L120 HydrophobicContact CD1-CB 4.42Å; Y72-L120 HydrophobicContact CE1-CB 3.9Å; Y72-L120 WeakPolarHBondContact CE1-O 3.45Å; Y72-L120 HydrophobicContact CE2-CB 4.39Å; Y72-L120 HydrophobicContact CE2-CD2 4.05Å; Y72-L120 VanDerWaalsContact CZ-O 3.26Å; Y72-L120 PolarHBondContact OH-O 3.48Å; I101-L120 HydrophobicContact CB-CG 4.09Å; I101-L120 HydrophobicContact CD1-CD1 3.97Å; I101-L120 HydrophobicContact CD1-CD2 3.9Å; I101-L120 HydrophobicContact CD1-CG 3.75Å; I101-L120 HydrophobicContact CG1-CD1 3.91Å; I101-L120 HydrophobicContact CG1-CG 3.81Å; I101-L120 WeakPolarHBondContact O-CB 3.3Å; I101-L120 WeakPolarHBondContact O-CG 3.46Å; I101-L120 PolarHBondContact O-N 2.88Å; L120-E122 VanDerWaalsContact C-N 3.33Å; L120-P152 HydrophobicContact CD2-CB 4.26Å; L120-P152 HydrophobicContact CD2-CG 4.28Å; L120-I154 HydrophobicContact CD2-CD1 4.43Å; L120-I154 HydrophobicContact CD2-CG2 4.06Å; L120-I154 HydrophobicContact CG-CG2 4.32Å
121Y95.4Very high96.7Very high60 Ų6059.2 Ų59.224%0.23529%0.286CS..EExtended strand (participates in β ladder)trans-90.5-0.7-171.1-58.9-88.5000113.3Y72 D102 S119 W134Y72-Y121 HydrophobicContact CD1-CE1 4.15Å; Y72-Y121 HydrophobicContact CE1-CD1 4.45Å; Y72-Y121 HydrophobicContact CE1-CE1 4.47Å; D102-Y121 WeakPolarHBondContact O-CE2 3.41Å; S119-Y121 PolarHBondContact O-N 3.12Å; S119-Y121 PolarHBondContact OG-N 3.47Å; S119-Y121 VanDerWaalsContact OG-N 3.13Å; Y121-W134 AromaticContact CD1-CD2 3.92Å; Y121-W134 HydrophobicContact CD1-CD2 3.92Å; Y121-W134 AromaticContact CD1-CE2 3.89Å; Y121-W134 HydrophobicContact CD1-CE3 4.45Å; Y121-W134 HydrophobicContact CD1-CG 4.07Å; Y121-W134 HydrophobicContact CD1-CZ2 4.41Å; Y121-W134 AromaticContact CD1-NE1 3.95Å; Y121-W134 HydrophobicContact CE1-CD2 4.47Å
122E95.8Very high96.8Very high104 Ų10452.7 Ų52.749%0.48626%0.256SS..EExtended strand (participates in β ladder)trans-108.8104.4172.1-67.9178.1-157.200108.7L120 P152 K153L120-E122 VanDerWaalsContact C-N 3.33Å; E122-P152 CarbonylContact O-C 3.39Å; E122-P152 WeakPolarHBondContact O-CA 3.39Å; E122-K153 HydrophobicContact CB-CB 4.01Å; E122-K153 VanDerWaalsContact O-CB 3.27Å; E122-K153 WeakPolarHBondContact O-CB 3.36Å; E122-K153 PolarHBondContact O-N 3.05Å
123C97.6Very high96.7Very high6 Ų651.3 Ų51.34%0.04126%0.258CS..EExtended strand (participates in β ladder)trans-109.6152.5178.9-60.70000111.5S131 V132 I150 R151C123-S131 CarbonylContact O-C 3.5Å; C123-S131 WeakPolarHBondContact O-CA 3.43Å; C123-V132 HydrophobicContact CB-CB 4.4Å; C123-V132 WeakPolarHBondContact CB-O 3.26Å; C123-V132 PolarHBondContact O-N 2.82Å; C123-I150 HydrophobicContact CB-CG2 3.92Å; C123-R151 VanDerWaalsContact CA-O 3.32Å; C123-R151 WeakPolarHBondContact CA-O 3.27Å
124Y97.8Very high96.6Very high53 Ų5352.6 Ų52.621%0.20826%0.26CS..EExtended strand (participates in β ladder)trans-147.9155175.470.5-75.6000111.8R130 I150 R151 K153Y124-R130 VanDerWaalsContact CA-O 3.29Å; Y124-R130 WeakPolarHBondContact CA-O 3.48Å; Y124-I150 WeakPolarHBondContact O-CA 3.29Å; Y124-R151 HydrophobicContact CD1-CG 4.4Å; Y124-R151 HydrophobicContact CE1-CG 3.81Å; Y124-R151 PolarHBondContact N-O 3.38Å; Y124-R151 PolarHBondContact O-N 3.15Å; Y124-K153 HydrophobicContact CD1-CB 4.22Å; Y124-K153 HydrophobicContact CD1-CG 4.46Å; Y124-K153 HydrophobicContact CE1-CB 4.22Å; Y124-K153 HydrophobicContact CE1-CG 4.24Å
125C98.1Very high96.5Very high0 Ų057.1 Ų57.10%028%0.282CS..EExtended strand (participates in β ladder)trans-83.6124.7175.1-178.80000110.9K127 Q129 R130 V132 H143C125-K127 PolarHBondContact O-N 3.28Å; C125-Q129 WeakPolarHBondContact O-CA 3.4Å; C125-Q129 PolarHBondContact O-N 3.3Å; C125-R130 PolarHBondContact N-O 2.96Å; C125-V132 HydrophobicContact CB-CG2 4.37Å; C125-H143 HydrophobicContact CB-CB 4.03Å
126R95.9Very high96.5Very high83 Ų8357.9 Ų57.931%0.31329%0.285SS..THydrogen-bonded Turntrans-62.6-25.7178.2-62.2177.369.5-161.35.4113.5Q129 Q149 R151R126-Q129 PolarHBondContact O-NE2 3.06Å; R126-Q149 WeakPolarHBondContact CB-O 3.31Å; R126-Q149 WeakPolarHBondContact CG-O 3.27Å; R126-Q149 PolarHBondContact N-O 3.14Å; R126-R151 HydrophobicContact CG-CG 4.03Å
127K96.2Very high96.4Very high149 Ų14957.9 Ų57.965%0.64829%0.285SS*.THydrogen-bonded Turntrans-82.9-48.9-178-174.1177.2175.9-177.80112.9C125 C146C125-K127 PolarHBondContact O-N 3.28Å; K127-C146 HydrophobicContact CD-CB 4.48Å; K127-C146 PolarHBondContact NZ-O 3.07Å
128C97Very high96.4Very high44 Ų4457.7 Ų57.730%0.29729%0.285SS..THydrogen-bonded Turntrans-110.5-2.4-175.270.10000114.6R130 H143C128-R130 PolarHBondContact O-N 3.23Å; C128-H143 PolarHBondContact SG-CE1 3.43Å; C128-H143 PolarHBondContact SG-ND1 2.97Å
129Q96.8Very high96.4Very high124 Ų12464.3 Ų64.358%0.57931%0.312SS*.  trans60.710.5177.8-57-64.5-39.700115.3C125 R126C125-Q129 WeakPolarHBondContact O-CA 3.4Å; C125-Q129 PolarHBondContact O-N 3.3Å; R126-Q129 PolarHBondContact O-NE2 3.06Å
130R97.2Very high96.4Very high143 Ų14366.1 Ų66.154%0.5433%0.325SS..  trans-70.4139.8173.2-64.8-175.5-165169.80.3110.1Y124 C125 C128 D145Y124-R130 VanDerWaalsContact CA-O 3.29Å; Y124-R130 WeakPolarHBondContact CA-O 3.48Å; C125-R130 PolarHBondContact N-O 2.96Å; C128-R130 PolarHBondContact O-N 3.23Å; R130-D145 IonicContact NH1-OD2 3.06Å; R130-D145 PolarHBondContact NH1-OD2 3.14Å
131S97.5Very high96.5Very high113 Ų11366.4 Ų66.479%0.7933%0.326SS*.EExtended strand (participates in β ladder)trans-61139.9166.7-560000110.1C123C123-S131 CarbonylContact O-C 3.5Å; C123-S131 WeakPolarHBondContact O-CA 3.43Å
132V96.6Very high96.6Very high17 Ų1769.1 Ų69.110%0.10334%0.336CS..EExtended strand (participates in β ladder)trans-126.8139.5179.6-1780000107.7C123 C125 W134 D136 I150C123-V132 HydrophobicContact CB-CB 4.4Å; C123-V132 WeakPolarHBondContact CB-O 3.26Å; C123-V132 PolarHBondContact O-N 2.82Å; C125-V132 HydrophobicContact CB-CG2 4.37Å; V132-W134 PolarHBondContact O-N 2.6Å; V132-D136 HydrophobicContact CG1-CB 3.91Å; V132-I150 HydrophobicContact CB-CG2 4.08Å; V132-I150 HydrophobicContact CG1-CD1 3.87Å; V132-I150 HydrophobicContact CG1-CG1 4.38Å; V132-I150 HydrophobicContact CG1-CG2 4.19Å; V132-I150 HydrophobicContact CG2-CG1 4.27Å; V132-I150 HydrophobicContact CG2-CG2 4.34Å
133A96.6Very high96.7Very high46 Ų4665 Ų6538%0.3832%0.317SS..  trans-62.2134.1175.200000109.6Q135 D136 Y137A133-Q135 PolarHBondContact O-N 2.85Å; A133-Q135 VanDerWaalsContact O-N 3.14Å; A133-D136 WeakPolarHBondContact O-CB 3.44Å; A133-D136 PolarHBondContact O-N 2.79Å; A133-Y137 PolarHBondContact O-N 2.85Å
134W95.9Very high96.5Very high57 Ų5772.6 Ų72.622%0.21635%0.349CS..Hα-helixtrans-61.3-25.7-179.365.8-94.7000112.2Y72 K74 Y121 V132 D136 Y137 L138Y72-W134 AromaticContact CD1-CE3 4Å; Y72-W134 HydrophobicContact CD1-CE3 4Å; Y72-W134 HydrophobicContact CD1-CZ3 4.42Å; Y72-W134 HydrophobicContact CE1-CB 4.16Å; Y72-W134 HydrophobicContact CE1-CD2 4.45Å; Y72-W134 AromaticContact CE1-CE3 3.96Å; Y72-W134 HydrophobicContact CE1-CE3 3.96Å; K74-W134 HydrophobicContact CB-CH2 4.28Å; Y121-W134 AromaticContact CD1-CD2 3.92Å; Y121-W134 HydrophobicContact CD1-CD2 3.92Å; Y121-W134 AromaticContact CD1-CE2 3.89Å; Y121-W134 HydrophobicContact CD1-CE3 4.45Å; Y121-W134 HydrophobicContact CD1-CG 4.07Å; Y121-W134 HydrophobicContact CD1-CZ2 4.41Å; Y121-W134 AromaticContact CD1-NE1 3.95Å; Y121-W134 HydrophobicContact CE1-CD2 4.47Å; V132-W134 PolarHBondContact O-N 2.6Å; W134-D136 VanDerWaalsContact C-N 3.33Å; W134-D136 PolarHBondContact O-N 2.83Å; W134-Y137 WeakPolarHBondContact O-CB 3.44Å; W134-Y137 PolarHBondContact O-N 3.07Å; W134-L138 HydrophobicContact CE3-CD1 3.6Å; W134-L138 HydrophobicContact CE3-CG 4.19Å; W134-L138 HydrophobicContact CZ3-CD1 3.41Å; W134-L138 VanDerWaalsContact CZ3-CD1 3.41Å; W134-L138 HydrophobicContact CZ3-CG 4.45Å; W134-L138 PolarHBondContact O-N 2.72Å
135Q96.4Very high96.2Very high98 Ų9875.5 Ų75.546%0.45837%0.368SS..Hα-helixtrans-64-37.1173.4-61.190-23.800112.3A133 L138A133-Q135 PolarHBondContact O-N 2.85Å; A133-Q135 VanDerWaalsContact O-N 3.14Å; Q135-L138 PolarHBondContact O-N 2.85Å
136D95.6Very high96.1Very high58 Ų5877.2 Ų77.231%0.3138%0.38SS..Hα-helixtrans-68.6-40.2174.7-74.5-50.3000110.6V132 A133 W134 L138 Q139 S140 K144V132-D136 HydrophobicContact CG1-CB 3.91Å; A133-D136 WeakPolarHBondContact O-CB 3.44Å; A133-D136 PolarHBondContact O-N 2.79Å; W134-D136 VanDerWaalsContact C-N 3.33Å; W134-D136 PolarHBondContact O-N 2.83Å; D136-L138 VanDerWaalsContact C-N 3.3Å; D136-L138 PolarHBondContact O-N 3.43Å; D136-Q139 WeakPolarHBondContact O-CB 3.19Å; D136-Q139 PolarHBondContact O-N 3.37Å; D136-Q139 VanDerWaalsContact O-N 3.07Å; D136-S140 PolarHBondContact O-N 3.34Å; D136-K144 IonicContact OD1-NZ 3.55Å; D136-K144 PolarHBondContact OD1-NZ 2.82Å
137Y96.5Very high96.1Very high1 Ų175.5 Ų75.50%0.00439%0.388CS..Hα-helixtrans-57.7-41174.8173.8-103.1000112Y65 V68 Y72 A133 W134 Q139 S140 D141 I150 P152Y65-Y137 HydrophobicContact CD2-CE1 4.29Å; Y65-Y137 AromaticContact CD2-CE2 3.8Å; Y65-Y137 HydrophobicContact CD2-CE2 3.8Å; Y65-Y137 AromaticContact CD2-CZ 3.64Å; Y65-Y137 HydrophobicContact CE2-CD2 4.42Å; Y65-Y137 HydrophobicContact CE2-CE1 4.24Å; Y65-Y137 HydrophobicContact CE2-CE2 4.06Å; Y65-Y137 AromaticContact CE2-CZ 3.97Å; Y65-Y137 WeakPolarHBondContact CE2-O 3.43Å; Y65-Y137 PolarHBondContact OH-O 3.4Å; Y65-Y137 VanDerWaalsContact OH-O 3.1Å; V68-Y137 HydrophobicContact CG1-CE1 4.09Å; V68-Y137 WeakPolarHBondContact CG1-OH 3.49Å; Y72-Y137 AromaticContact CE2-CD1 3.97Å; Y72-Y137 HydrophobicContact CE2-CD1 3.97Å; Y72-Y137 AromaticContact CE2-CE1 3.79Å; Y72-Y137 HydrophobicContact CE2-CE1 3.79Å; Y72-Y137 AromaticContact CZ-CD1 3.93Å; Y72-Y137 WeakPolarHBondContact OH-CD1 3.28Å; A133-Y137 PolarHBondContact O-N 2.85Å; W134-Y137 WeakPolarHBondContact O-CB 3.44Å; W134-Y137 PolarHBondContact O-N 3.07Å; Y137-Q139 PolarHBondContact O-N 3.38Å; Y137-S140 WeakPolarHBondContact CA-O 3.4Å; Y137-S140 CarbonylContact O-C 3.51Å; Y137-S140 PolarHBondContact O-N 3.08Å; Y137-D141 HydrophobicContact CE2-CB 4.33Å; Y137-I150 HydrophobicContact CD2-CB 3.93Å; Y137-I150 HydrophobicContact CD2-CG2 3.65Å; Y137-I150 WeakPolarHBondContact CE2-O 3.41Å; Y137-I150 HydrophobicContact CG-CG2 4.25Å; Y137-P152 HydrophobicContact CD1-CG 4.18Å; Y137-P152 HydrophobicContact CE1-CG 3.73Å; Y137-P152 HydrophobicContact CE2-CG 4.5Å
138L95.6Very high96.1Very high28 Ų2868.7 Ų68.715%0.14736%0.36CS..Hα-helixtrans-65.8-21.4177.7-71.1-177.5000114.3Y65 K69 Y72 W134 Q135 D136Y65-L138 PolarHBondContact OH-O 3Å; K69-L138 WeakPolarHBondContact CE-O 3.26Å; K69-L138 HydrophobicContact CG-CD2 3.85Å; K69-L138 PolarHBondContact NZ-O 3.47Å; Y72-L138 HydrophobicContact CD1-CD1 4.35Å; Y72-L138 HydrophobicContact CD1-CD2 4.2Å; Y72-L138 HydrophobicContact CD2-CD2 3.6Å; Y72-L138 HydrophobicContact CE1-CD2 4.49Å; Y72-L138 HydrophobicContact CE2-CD2 3.91Å; Y72-L138 HydrophobicContact CG-CD1 4.44Å; Y72-L138 HydrophobicContact CG-CD2 3.73Å; Y72-L138 HydrophobicContact CG-CG 4.5Å; W134-L138 HydrophobicContact CE3-CD1 3.6Å; W134-L138 HydrophobicContact CE3-CG 4.19Å; W134-L138 HydrophobicContact CZ3-CD1 3.41Å; W134-L138 VanDerWaalsContact CZ3-CD1 3.41Å; W134-L138 HydrophobicContact CZ3-CG 4.45Å; W134-L138 PolarHBondContact O-N 2.72Å; Q135-L138 PolarHBondContact O-N 2.85Å; D136-L138 VanDerWaalsContact C-N 3.3Å; D136-L138 PolarHBondContact O-N 3.43Å
139Q95.5Very high96.1Very high155 Ų15567.6 Ų67.672%0.72435%0.351SS*.Hα-helixtrans-83.3-42.4173.5-59.5-58.1-34.100110.7Y65 D136 Y137Y65-Q139 VanDerWaalsContact OH-C 3.27Å; Y65-Q139 PolarHBondContact OH-O 3.19Å; D136-Q139 WeakPolarHBondContact O-CB 3.19Å; D136-Q139 PolarHBondContact O-N 3.37Å; D136-Q139 VanDerWaalsContact O-N 3.07Å; Y137-Q139 PolarHBondContact O-N 3.38Å
140S96Very high96.1Very high48 Ų4862 Ų6234%0.33632%0.324SS..  trans-156.4144.4179.6-178.50000112Y65 D136 Y137 R142Y65-S140 WeakPolarHBondContact OH-CA 3.27Å; Y65-S140 PolarHBondContact OH-N 3.41Å; D136-S140 PolarHBondContact O-N 3.34Å; Y137-S140 WeakPolarHBondContact CA-O 3.4Å; Y137-S140 CarbonylContact O-C 3.51Å; Y137-S140 PolarHBondContact O-N 3.08Å; S140-R142 PolarHBondContact O-N 2.99Å; S140-R142 PolarHBondContact OG-N 2.77Å
141D96.5Very high96.1Very high7 Ų755.3 Ų55.34%0.03730%0.299CS..SBendtrans-74.85.9167.687.8-32000112.9Y65 Y137 Q149 I150Y65-D141 HydrophobicContact CD1-CB 4.13Å; Y65-D141 HydrophobicContact CD2-CB 3.7Å; Y65-D141 HydrophobicContact CE2-CB 4.14Å; Y65-D141 HydrophobicContact CG-CB 3.71Å; Y137-D141 HydrophobicContact CE2-CB 4.33Å; D141-Q149 CarbonylContact O-C 3.5Å; D141-Q149 VanDerWaalsContact O-CA 3.28Å; D141-Q149 WeakPolarHBondContact O-CA 3.34Å; D141-Q149 WeakPolarHBondContact OD2-CG 3.29Å; D141-Q149 PolarHBondContact OD2-NE2 3.48Å; D141-I150 PolarHBondContact O-N 2.82Å
142R97.3Very high96.1Very high118 Ų11850 Ų5045%0.44526%0.262SS..BIsolated β-bridgetrans-107.5126.4-178.5-56.7-61159.91600.7112.9S140 K144 I150S140-R142 PolarHBondContact O-N 2.99Å; S140-R142 PolarHBondContact OG-N 2.77Å; R142-K144 PolarHBondContact O-N 2.79Å; R142-I150 VanDerWaalsContact C-CD1 3.48Å; R142-I150 WeakPolarHBondContact O-CD1 3.45Å
143H97.3Very high96.1Very high17 Ų1753 Ų538%0.07927%0.274CS..  trans-74.6115.4179.1-174.2-152.6000111.5C125 C128 D145 C146 G147 G148 I150C125-H143 HydrophobicContact CB-CB 4.03Å; C128-H143 PolarHBondContact SG-CE1 3.43Å; C128-H143 PolarHBondContact SG-ND1 2.97Å; H143-D145 IonicContact NE2-OD2 3.12Å; H143-D145 PolarHBondContact O-N 3.46Å; H143-D145 VanDerWaalsContact O-N 3.08Å; H143-C146 PolarHBondContact ND1-SG 3.04Å; H143-C146 PolarHBondContact O-N 3.24Å; H143-C146 VanDerWaalsContact O-N 3.15Å; H143-G147 WeakPolarHBondContact O-CA 3.15Å; H143-G147 PolarHBondContact O-N 3.37Å; H143-G148 VanDerWaalsContact CB-O 3.23Å; H143-G148 WeakPolarHBondContact CB-O 3.41Å; H143-G148 PolarHBondContact N-O 3.13Å; H143-I150 HydrophobicContact CB-CD1 4.19Å; H143-I150 HydrophobicContact CB-CG1 3.82Å
144K93.4Very high96Very high166 Ų16651.2 Ų51.272%0.72226%0.258SS*.THydrogen-bonded Turntrans-46.3-40-177.2-67.1172.6178.5164.70114D136 R142D136-K144 IonicContact OD1-NZ 3.55Å; D136-K144 PolarHBondContact OD1-NZ 2.82Å; R142-K144 PolarHBondContact O-N 2.79Å
145D92.6Very high96Very high114 Ų11450.6 Ų50.661%0.6126%0.26SS*.THydrogen-bonded Turntrans-78.8-33.4-175.3-68-11.9000114.7R130 H143R130-D145 IonicContact NH1-OD2 3.06Å; R130-D145 PolarHBondContact NH1-OD2 3.14Å; H143-D145 IonicContact NE2-OD2 3.12Å; H143-D145 PolarHBondContact O-N 3.46Å; H143-D145 VanDerWaalsContact O-N 3.08Å
146C96Very high95.9Very high35 Ų3546.1 Ų46.124%0.23624%0.239CC..THydrogen-bonded Turntrans-133.3-1.6-166.8750000115.2K127 H143 G148K127-C146 HydrophobicContact CD-CB 4.48Å; K127-C146 PolarHBondContact NZ-O 3.07Å; H143-C146 PolarHBondContact ND1-SG 3.04Å; H143-C146 PolarHBondContact O-N 3.24Å; H143-C146 VanDerWaalsContact O-N 3.15Å; C146-G148 PolarHBondContact O-N 3Å; C146-G148 VanDerWaalsContact O-N 3.15Å; C146-G148 PolarHBondContact SG-N 2.85Å
147G95.1Very high95.5Very high47 Ų4748 Ų4849%0.48524%0.243SC..  trans66.94.6-176.200000114.9H143H143-G147 WeakPolarHBondContact O-CA 3.15Å; H143-G147 PolarHBondContact O-N 3.37Å
148G96.3Very high95Very high6 Ų652 Ų526%0.06228%0.284CS..PPolyproline II helixtrans-71.8151.3-179.900000112.5H143 C146 I150H143-G148 VanDerWaalsContact CB-O 3.23Å; H143-G148 WeakPolarHBondContact CB-O 3.41Å; H143-G148 PolarHBondContact N-O 3.13Å; C146-G148 PolarHBondContact O-N 3Å; C146-G148 VanDerWaalsContact O-N 3.15Å; C146-G148 PolarHBondContact SG-N 2.85Å; G148-I150 PolarHBondContact O-N 3.12Å
149Q97.1Very high94.8Very high22 Ų2253.3 Ų53.310%0.10329%0.289CS..BIsolated β-bridgetrans-67.9128.1178.3-170.5-178.24000111.1R126 D141R126-Q149 WeakPolarHBondContact CB-O 3.31Å; R126-Q149 WeakPolarHBondContact CG-O 3.27Å; R126-Q149 PolarHBondContact N-O 3.14Å; D141-Q149 CarbonylContact O-C 3.5Å; D141-Q149 VanDerWaalsContact O-CA 3.28Å; D141-Q149 WeakPolarHBondContact O-CA 3.34Å; D141-Q149 WeakPolarHBondContact OD2-CG 3.29Å; D141-Q149 PolarHBondContact OD2-NE2 3.48Å
150I98Very high94.5Very high5 Ų549.2 Ų49.23%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-88142172-54.9161.5000107.9C123 Y124 V132 Y137 D141 R142 H143 G148C123-I150 HydrophobicContact CB-CG2 3.92Å; Y124-I150 WeakPolarHBondContact O-CA 3.29Å; V132-I150 HydrophobicContact CB-CG2 4.08Å; V132-I150 HydrophobicContact CG1-CD1 3.87Å; V132-I150 HydrophobicContact CG1-CG1 4.38Å; V132-I150 HydrophobicContact CG1-CG2 4.19Å; V132-I150 HydrophobicContact CG2-CG1 4.27Å; V132-I150 HydrophobicContact CG2-CG2 4.34Å; Y137-I150 HydrophobicContact CD2-CB 3.93Å; Y137-I150 HydrophobicContact CD2-CG2 3.65Å; Y137-I150 WeakPolarHBondContact CE2-O 3.41Å; Y137-I150 HydrophobicContact CG-CG2 4.25Å; D141-I150 PolarHBondContact O-N 2.82Å; R142-I150 VanDerWaalsContact C-CD1 3.48Å; R142-I150 WeakPolarHBondContact O-CD1 3.45Å; H143-I150 HydrophobicContact CB-CD1 4.19Å; H143-I150 HydrophobicContact CB-CG1 3.82Å; G148-I150 PolarHBondContact O-N 3.12Å
151R96.4Very high94.2Very high4 Ų449.5 Ų49.52%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-141.7159.216664.6171.4-81.9-172.1-18111.5C123 Y124 R126 I154 L156 E159C123-R151 VanDerWaalsContact CA-O 3.32Å; C123-R151 WeakPolarHBondContact CA-O 3.27Å; Y124-R151 HydrophobicContact CD1-CG 4.4Å; Y124-R151 HydrophobicContact CE1-CG 3.81Å; Y124-R151 PolarHBondContact N-O 3.38Å; Y124-R151 PolarHBondContact O-N 3.15Å; R126-R151 HydrophobicContact CG-CG 4.03Å; R151-I154 PolarHBondContact NH2-O 2.97Å; R151-L156 VanDerWaalsContact NH1-CD1 3.28Å; R151-E159 IonicContact CZ-OE1 2.73Å; R151-E159 IonicContact CZ-OE2 2.88Å; R151-E159 IonicContact NH1-OE1 3.48Å; R151-E159 PolarHBondContact NH1-OE1 2.88Å; R151-E159 IonicContact NH1-OE2 3.06Å; R151-E159 IonicContact NH2-OE1 2.7Å; R151-E159 PolarHBondContact NH2-OE1 3.37Å; R151-E159 IonicContact NH2-OE2 2.75Å; R151-E159 PolarHBondContact NH2-OE2 3.36Å
152P97.6Very high94Very high0 Ų053.9 Ų53.90%030%0.304CS..EExtended strand (participates in β ladder)trans-69.6151.8166.2-16.833.6000111.4V68 Y72 L120 E122 Y137 I154V68-P152 HydrophobicContact CG1-CG 3.76Å; Y72-P152 WeakPolarHBondContact OH-CG 3.41Å; L120-P152 HydrophobicContact CD2-CB 4.26Å; L120-P152 HydrophobicContact CD2-CG 4.28Å; E122-P152 CarbonylContact O-C 3.39Å; E122-P152 WeakPolarHBondContact O-CA 3.39Å; Y137-P152 HydrophobicContact CD1-CG 4.18Å; Y137-P152 HydrophobicContact CE1-CG 3.73Å; Y137-P152 HydrophobicContact CE2-CG 4.5Å; P152-I154 HydrophobicContact CB-CG1 4.45Å; P152-I154 HydrophobicContact CB-CG2 4.27Å; P152-I154 PolarHBondContact O-N 2.98Å
153K95.9Very high93.7Very high81 Ų8154.1 Ų54.135%0.35231%0.31SS..EExtended strand (participates in β ladder)trans-83.353177.5-159.5-172.9-178.2-164.30110.1G118 S119 E122 Y124 E162G118-K153 CarbonylContact C-O 3.56Å; G118-K153 WeakPolarHBondContact CA-O 3.33Å; S119-K153 PolarHBondContact N-O 2.94Å; S119-K153 CarbonylContact O-C 3.53Å; S119-K153 PolarHBondContact O-N 2.92Å; E122-K153 HydrophobicContact CB-CB 4.01Å; E122-K153 VanDerWaalsContact O-CB 3.27Å; E122-K153 WeakPolarHBondContact O-CB 3.36Å; E122-K153 PolarHBondContact O-N 3.05Å; Y124-K153 HydrophobicContact CD1-CB 4.22Å; Y124-K153 HydrophobicContact CD1-CG 4.46Å; Y124-K153 HydrophobicContact CE1-CB 4.22Å; Y124-K153 HydrophobicContact CE1-CG 4.24Å; K153-E162 WeakPolarHBondContact CE-OE1 3.14Å; K153-E162 IonicContact NZ-OE1 3.89Å; K153-E162 PolarHBondContact NZ-OE1 2.97Å; K153-E162 IonicContact NZ-OE2 2.59Å
154I95.9Very high93.6Very high9 Ų956.3 Ų56.35%0.04633%0.327CS..EExtended strand (participates in β ladder)trans-95150.1168.861174.8000109.1L52 I101 H117 L120 R151 P152 L156L52-I154 HydrophobicContact CD2-CD1 4.29Å; I101-I154 HydrophobicContact CB-CG2 3.88Å; I101-I154 HydrophobicContact CD1-CD1 4.47Å; I101-I154 HydrophobicContact CD1-CG2 4.01Å; I101-I154 HydrophobicContact CG2-CB 4.34Å; I101-I154 HydrophobicContact CG2-CG2 3.76Å; H117-I154 CarbonylContact O-C 3.58Å; H117-I154 VanDerWaalsContact O-CA 3.23Å; H117-I154 WeakPolarHBondContact O-CA 3.28Å; L120-I154 HydrophobicContact CD2-CD1 4.43Å; L120-I154 HydrophobicContact CD2-CG2 4.06Å; L120-I154 HydrophobicContact CG-CG2 4.32Å; R151-I154 PolarHBondContact NH2-O 2.97Å; P152-I154 HydrophobicContact CB-CG1 4.45Å; P152-I154 HydrophobicContact CB-CG2 4.27Å; P152-I154 PolarHBondContact O-N 2.98Å; I154-L156 HydrophobicContact CD1-CD2 3.74Å; I154-L156 HydrophobicContact CG1-CD2 3.84Å
155V94.8Very high93.7Very high43 Ų4349.7 Ų49.726%0.26130%0.301SS..PPolyproline II helixtrans-81.7119.2173.9-177.20000108.4H117 E159 F161H117-V155 PolarHBondContact O-N 2.83Å; V155-E159 HydrophobicContact CG1-CB 4.36Å; V155-F161 HydrophobicContact CB-CE1 4.32Å; V155-F161 HydrophobicContact CG1-CD1 4.33Å; V155-F161 HydrophobicContact CG1-CD2 4.42Å; V155-F161 HydrophobicContact CG1-CE1 4.05Å; V155-F161 HydrophobicContact CG1-CE2 4.12Å; V155-F161 HydrophobicContact CG1-CZ 3.92Å; V155-F161 HydrophobicContact CG2-CD1 4.14Å; V155-F161 HydrophobicContact CG2-CE1 4.15Å
156L93.9Very high93.9Very high5 Ų545.9 Ų45.93%0.02628%0.28CS..PPolyproline II helixtrans-90.1156.9177.8-59.8-179.8000111.7L52 L57 F64 R151 I154 G158 E159L52-L156 HydrophobicContact CB-CD2 4.42Å; L52-L156 CarbonylContact O-C 3.55Å; L52-L156 WeakPolarHBondContact O-CA 3.5Å; L52-L156 VanDerWaalsContact O-CB 3.3Å; L52-L156 WeakPolarHBondContact O-CB 3.3Å; L52-L156 WeakPolarHBondContact O-CD2 3.41Å; L57-L156 HydrophobicContact CB-CD1 4.09Å; L57-L156 HydrophobicContact CD2-CD1 3.79Å; F64-L156 HydrophobicContact CE2-CD1 3.62Å; F64-L156 HydrophobicContact CE2-CD2 3.69Å; F64-L156 HydrophobicContact CE2-CG 4.33Å; F64-L156 HydrophobicContact CZ-CD1 3.86Å; F64-L156 HydrophobicContact CZ-CD2 3.95Å; R151-L156 VanDerWaalsContact NH1-CD1 3.28Å; I154-L156 HydrophobicContact CD1-CD2 3.74Å; I154-L156 HydrophobicContact CG1-CD2 3.84Å; L156-G158 PolarHBondContact O-N 3.05Å; L156-E159 HydrophobicContact CB-CG 4.06Å; L156-E159 PolarHBondContact N-OE2 2.93Å; L156-E159 WeakPolarHBondContact O-CB 3.42Å; L156-E159 PolarHBondContact O-N 2.97Å
157Y88.2Confident93.9Very high97 Ų9749 Ų4938%0.3829%0.292SS..BIsolated β-bridgetrans-57.2131.5168.3-71.8-82.1000110.3E49 L52 S53 N54E49-Y157 HydrophobicContact CB-CD2 4.05Å; E49-Y157 HydrophobicContact CB-CE2 3.94Å; E49-Y157 HydrophobicContact CB-CG 4.41Å; E49-Y157 HydrophobicContact CG-CD2 4.46Å; E49-Y157 HydrophobicContact CG-CE1 4.2Å; E49-Y157 HydrophobicContact CG-CE2 3.87Å; E49-Y157 VanDerWaalsContact O-CD2 3.3Å; E49-Y157 WeakPolarHBondContact O-CD2 3.24Å; L52-Y157 HydrophobicContact CB-CD2 4.22Å; L52-Y157 WeakPolarHBondContact O-CD2 3.39Å; L52-Y157 PolarHBondContact O-N 3.02Å; S53-Y157 WeakPolarHBondContact CA-O 3.48Å; N54-Y157 PolarHBondContact N-O 3.46Å
158G85.5Confident94Very high84 Ų8451.3 Ų51.387%0.86629%0.29SS*.THydrogen-bonded Turntrans88.5-2.9-173.600000114.8L156L156-G158 PolarHBondContact O-N 3.05Å
159E91.4Very high94.1Very high57 Ų5751 Ų5127%0.26629%0.287SS..PPolyproline II helixtrans-96.2151.6172.8-60.7-174.3149.600112.1N54 R151 V155 L156N54-E159 HydrophobicContact CB-CG 3.9Å; R151-E159 IonicContact CZ-OE1 2.73Å; R151-E159 IonicContact CZ-OE2 2.88Å; R151-E159 IonicContact NH1-OE1 3.48Å; R151-E159 PolarHBondContact NH1-OE1 2.88Å; R151-E159 IonicContact NH1-OE2 3.06Å; R151-E159 IonicContact NH2-OE1 2.7Å; R151-E159 PolarHBondContact NH2-OE1 3.37Å; R151-E159 IonicContact NH2-OE2 2.75Å; R151-E159 PolarHBondContact NH2-OE2 3.36Å; V155-E159 HydrophobicContact CG1-CB 4.36Å; L156-E159 HydrophobicContact CB-CG 4.06Å; L156-E159 PolarHBondContact N-OE2 2.93Å; L156-E159 WeakPolarHBondContact O-CB 3.42Å; L156-E159 PolarHBondContact O-N 2.97Å
160G89.7Confident94.1Very high69 Ų6951.6 Ų51.671%0.71129%0.29SS*.PPolyproline II helixtrans-83.1156.9169.900000111.6
161F90.4Very high94.1Very high54 Ų5452.6 Ų52.624%0.23730%0.301CS..PPolyproline II helixtrans-84.1149.7174.3-70-101.8000110.9F116 H117 V155 E163 I166 P190F116-F161 HydrophobicContact CD1-CD1 4.24Å; F116-F161 AromaticContact CD1-CE1 3.55Å; F116-F161 HydrophobicContact CD1-CE1 3.55Å; F116-F161 HydrophobicContact CD1-CZ 4.27Å; F116-F161 HydrophobicContact CE1-CD1 4.01Å; F116-F161 AromaticContact CE1-CE1 3.43Å; F116-F161 HydrophobicContact CE1-CE1 3.43Å; F116-F161 VanDerWaalsContact CE1-CE1 3.43Å; F116-F161 AromaticContact CE1-CZ 3.88Å; F116-F161 HydrophobicContact CE1-CZ 3.88Å; F116-F161 HydrophobicContact CG-CE1 4.47Å; F116-F161 HydrophobicContact CZ-CD1 4.44Å; F116-F161 HydrophobicContact CZ-CE1 4.27Å; F116-F161 WeakPolarHBondContact O-CD1 3.45Å; F116-F161 VanDerWaalsContact O-CE1 3.28Å; F116-F161 WeakPolarHBondContact O-CE1 3.38Å; H117-F161 AromaticContact CD2-CE1 3.79Å; H117-F161 AromaticContact CD2-CZ 3.93Å; V155-F161 HydrophobicContact CB-CE1 4.32Å; V155-F161 HydrophobicContact CG1-CD1 4.33Å; V155-F161 HydrophobicContact CG1-CD2 4.42Å; V155-F161 HydrophobicContact CG1-CE1 4.05Å; V155-F161 HydrophobicContact CG1-CE2 4.12Å; V155-F161 HydrophobicContact CG1-CZ 3.92Å; V155-F161 HydrophobicContact CG2-CD1 4.14Å; V155-F161 HydrophobicContact CG2-CE1 4.15Å; F161-E163 PolarHBondContact O-N 3.42Å; F161-I166 HydrophobicContact CB-CD1 3.71Å; F161-I166 HydrophobicContact CB-CG1 3.7Å; F161-I166 HydrophobicContact CD1-CD1 4.12Å; F161-I166 HydrophobicContact CG-CD1 3.9Å; F161-I166 HydrophobicContact CG-CG1 4.44Å; F161-P190 HydrophobicContact CD2-CG 3.96Å; F161-P190 HydrophobicContact CE2-CG 3.69Å; F161-P190 HydrophobicContact CZ-CG 4.1Å
162E90.8Very high94.2Very high99 Ų9952.5 Ų52.546%0.46330%0.302SS..PPolyproline II helixtrans-64.5129.1167.8-68.3-176.1-165.100109.6K153 S164 V165 I166K153-E162 WeakPolarHBondContact CE-OE1 3.14Å; K153-E162 IonicContact NZ-OE1 3.89Å; K153-E162 PolarHBondContact NZ-OE1 2.97Å; K153-E162 IonicContact NZ-OE2 2.59Å; E162-S164 PolarHBondContact O-N 3.04Å; E162-V165 HydrophobicContact CB-CB 4.45Å; E162-V165 HydrophobicContact CB-CG2 4.01Å; E162-V165 WeakPolarHBondContact O-CB 3.26Å; E162-V165 PolarHBondContact O-N 3.14Å; E162-I166 PolarHBondContact O-N 3.37Å
163E92.1Very high94.2Very high123 Ų12352.5 Ų52.558%0.57530%0.302SS*.Hα-helixtrans-55.9-37.9-177-173.860.8-146.600112.1F161 V165 I166 Q167F161-E163 PolarHBondContact O-N 3.42Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 2.93Å; E163-I166 PolarHBondContact O-N 3.39Å; E163-Q167 HydrophobicContact CG-CG 4.29Å; E163-Q167 WeakPolarHBondContact O-CB 3.49Å; E163-Q167 VanDerWaalsContact O-CG 3.28Å; E163-Q167 WeakPolarHBondContact O-CG 3.2Å; E163-Q167 PolarHBondContact O-N 3.02Å; E163-Q167 PolarHBondContact OE1-NE2 2.76Å
164S94.8Very high94.2Very high62 Ų6254.6 Ų54.643%0.43431%0.311SS..Hα-helixtrans-59.5-40.2176.550.10000113E162 Q167 Q168E162-S164 PolarHBondContact O-N 3.04Å; S164-Q167 PolarHBondContact O-N 2.98Å; S164-Q168 WeakPolarHBondContact O-CB 3.42Å; S164-Q168 VanDerWaalsContact O-CG 3.25Å; S164-Q168 WeakPolarHBondContact O-CG 3.39Å; S164-Q168 PolarHBondContact O-N 3.37Å
165V96.1Very high94.3Very high27 Ų2759.5 Ų59.516%0.16434%0.337CS..Hα-helixtrans-66.5-44.9179.4173.90000110V114 F116 E162 E163 Q168 A169V114-V165 HydrophobicContact CG1-CG1 3.82Å; F116-V165 HydrophobicContact CD2-CG1 4.29Å; E162-V165 HydrophobicContact CB-CB 4.45Å; E162-V165 HydrophobicContact CB-CG2 4.01Å; E162-V165 WeakPolarHBondContact O-CB 3.26Å; E162-V165 PolarHBondContact O-N 3.14Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 2.93Å; V165-Q168 PolarHBondContact O-N 3.42Å; V165-A169 WeakPolarHBondContact O-CB 3.46Å; V165-A169 PolarHBondContact O-N 3.29Å
166I95.2Very high94.4Very high34 Ų3457.6 Ų57.617%0.17433%0.326CS..Hα-helixtrans-61.7-49.4176.3-62.3-59.7000110.5F116 F161 E162 E163 Q168 A169 I170 P190F116-I166 HydrophobicContact CE1-CD1 4.48Å; F116-I166 HydrophobicContact CE2-CD1 3.74Å; F116-I166 HydrophobicContact CZ-CD1 3.56Å; F161-I166 HydrophobicContact CB-CD1 3.71Å; F161-I166 HydrophobicContact CB-CG1 3.7Å; F161-I166 HydrophobicContact CD1-CD1 4.12Å; F161-I166 HydrophobicContact CG-CD1 3.9Å; F161-I166 HydrophobicContact CG-CG1 4.44Å; E162-I166 PolarHBondContact O-N 3.37Å; E163-I166 PolarHBondContact O-N 3.39Å; I166-Q168 VanDerWaalsContact C-N 3.32Å; I166-Q168 PolarHBondContact O-N 3.29Å; I166-A169 PolarHBondContact O-N 3.44Å; I166-I170 HydrophobicContact CG2-CD1 3.65Å; I166-I170 HydrophobicContact CG2-CG1 4.23Å; I166-I170 WeakPolarHBondContact O-CB 3.39Å; I166-I170 VanDerWaalsContact O-CG1 3.26Å; I166-I170 WeakPolarHBondContact O-CG1 3.45Å; I166-I170 PolarHBondContact O-N 3.09Å; I166-P190 HydrophobicContact CD1-CG 4.45Å
167Q96.6Very high94.6Very high102 Ų10261 Ų6148%0.47734%0.341SS..Hα-helixtrans-62.7-37.8-179.2-67.9-57.7-34.900112.7E163 S164 G171E163-Q167 HydrophobicContact CG-CG 4.29Å; E163-Q167 WeakPolarHBondContact O-CB 3.49Å; E163-Q167 VanDerWaalsContact O-CG 3.28Å; E163-Q167 WeakPolarHBondContact O-CG 3.2Å; E163-Q167 PolarHBondContact O-N 3.02Å; E163-Q167 PolarHBondContact OE1-NE2 2.76Å; S164-Q167 PolarHBondContact O-N 2.98Å; Q167-G171 PolarHBondContact O-N 3.46Å
168Q97.4Very high95.1Very high95 Ų9556.3 Ų56.344%0.44432%0.323SS..Hα-helixtrans-66.3-44.1174.5-74.7177.33.300112V114 S164 V165 I166 G171 A172V114-Q168 HydrophobicContact CG2-CB 3.78Å; S164-Q168 WeakPolarHBondContact O-CB 3.42Å; S164-Q168 VanDerWaalsContact O-CG 3.25Å; S164-Q168 WeakPolarHBondContact O-CG 3.39Å; S164-Q168 PolarHBondContact O-N 3.37Å; V165-Q168 PolarHBondContact O-N 3.42Å; I166-Q168 VanDerWaalsContact C-N 3.32Å; I166-Q168 PolarHBondContact O-N 3.29Å; Q168-G171 PolarHBondContact O-N 3.46Å; Q168-A172 PolarHBondContact O-N 3.45Å
169A97.9Very high95.7Very high0 Ų052.3 Ų52.30%028%0.282CS..Hα-helixtrans-62.2-46.3177.600000112V97 V114 F116 V165 I166 G171 A172 V173 L194V97-A169 HydrophobicContact CG1-CB 3.74Å; V114-A169 HydrophobicContact CG1-CB 4.22Å; F116-A169 HydrophobicContact CD2-CB 3.79Å; F116-A169 HydrophobicContact CE2-CB 3.72Å; V165-A169 WeakPolarHBondContact O-CB 3.46Å; V165-A169 PolarHBondContact O-N 3.29Å; I166-A169 PolarHBondContact O-N 3.44Å; A169-G171 VanDerWaalsContact C-N 3.33Å; A169-G171 PolarHBondContact O-N 3.25Å; A169-A172 PolarHBondContact O-N 3.4Å; A169-V173 WeakPolarHBondContact O-CG2 3.49Å; A169-V173 PolarHBondContact O-N 3.42Å; A169-V173 VanDerWaalsContact O-N 3.08Å; A169-L194 HydrophobicContact CB-CD1 3.9Å; A169-L194 HydrophobicContact CB-CD2 3.77Å
170I97.9Very high96Very high34 Ų3449.6 Ų49.617%0.17427%0.269CS..Hα-helixtrans-59.5-46.2174-67.2178.4000110I166 A172 V173 K174 L194 E197I166-I170 HydrophobicContact CG2-CD1 3.65Å; I166-I170 HydrophobicContact CG2-CG1 4.23Å; I166-I170 WeakPolarHBondContact O-CB 3.39Å; I166-I170 VanDerWaalsContact O-CG1 3.26Å; I166-I170 WeakPolarHBondContact O-CG1 3.45Å; I166-I170 PolarHBondContact O-N 3.09Å; I170-A172 PolarHBondContact O-N 2.93Å; I170-V173 PolarHBondContact O-N 2.96Å; I170-K174 WeakPolarHBondContact O-CB 3.32Å; I170-K174 PolarHBondContact O-N 3.06Å; I170-L194 HydrophobicContact CG1-CD2 3.96Å; I170-E197 HydrophobicContact CD1-CG 4.47Å; I170-E197 HydrophobicContact CG1-CG 4.09Å; I170-E197 HydrophobicContact CG2-CB 4.16Å; I170-E197 HydrophobicContact CG2-CG 3.97Å
171G97.5Very high96.4Very high25 Ų2546.4 Ų46.426%0.25824%0.236SC..Hα-helixtrans-59-43.7178.100000113.2Q167 Q168 A169 N175Q167-G171 PolarHBondContact O-N 3.46Å; Q168-G171 PolarHBondContact O-N 3.46Å; A169-G171 VanDerWaalsContact C-N 3.33Å; A169-G171 PolarHBondContact O-N 3.25Å; G171-N175 WeakPolarHBondContact O-CB 3.43Å; G171-N175 PolarHBondContact O-N 3.42Å; G171-N175 PolarHBondContact O-ND2 2.7Å
172A97.7Very high96.7Very high3 Ų343.9 Ų43.93%0.02523%0.225CC..Hα-helixtrans-60.8-52.9176.200000110.9T19 W95 V97 Q168 A169 I170 K174 N175 A176T19-A172 HydrophobicContact CG2-CB 4.1Å; T19-A172 VanDerWaalsContact OG1-C 3.29Å; T19-A172 PolarHBondContact OG1-O 3.41Å; W95-A172 HydrophobicContact CB-CB 3.76Å; W95-A172 HydrophobicContact CD2-CB 3.87Å; W95-A172 HydrophobicContact CE3-CB 3.95Å; W95-A172 HydrophobicContact CG-CB 3.81Å; V97-A172 HydrophobicContact CG2-CB 3.91Å; Q168-A172 PolarHBondContact O-N 3.45Å; A169-A172 PolarHBondContact O-N 3.4Å; I170-A172 PolarHBondContact O-N 2.93Å; A172-K174 PolarHBondContact O-N 3.28Å; A172-N175 PolarHBondContact O-N 3.32Å; A172-A176 PolarHBondContact O-N 3.44Å
173V97.9Very high96.9Very high0 Ų039.7 Ų39.70%021%0.208CC..Hα-helixtrans-64.3-41.6-177.3173.50000112.6T19 L21 A169 I170 N175 A176 I179 L194 E197 K198T19-V173 HydrophobicContact CG2-CG2 3.97Å; L21-V173 HydrophobicContact CD1-CG2 4.39Å; L21-V173 HydrophobicContact CD2-CG2 3.87Å; A169-V173 WeakPolarHBondContact O-CG2 3.49Å; A169-V173 PolarHBondContact O-N 3.42Å; A169-V173 VanDerWaalsContact O-N 3.08Å; I170-V173 PolarHBondContact O-N 2.96Å; V173-N175 VanDerWaalsContact C-N 3.34Å; V173-N175 PolarHBondContact O-N 3.01Å; V173-A176 PolarHBondContact O-N 3.42Å; V173-I179 HydrophobicContact CG1-CD1 3.73Å; V173-L194 VanDerWaalsContact CG1-O 3.28Å; V173-L194 WeakPolarHBondContact CG1-O 3.36Å; V173-L194 HydrophobicContact CG2-CB 4.27Å; V173-E197 HydrophobicContact CG1-CB 4.47Å; V173-K198 HydrophobicContact CG1-CB 4.01Å
174K97.3Very high97Very high125 Ų12534.4 Ų34.454%0.54318%0.184SC..Hα-helixtrans-66.4-34.8-179.3-175174.1-177.2171.50113.1I170 A172 E197I170-K174 WeakPolarHBondContact O-CB 3.32Å; I170-K174 PolarHBondContact O-N 3.06Å; A172-K174 PolarHBondContact O-N 3.28Å; K174-E197 WeakPolarHBondContact CA-O 3.41Å
175N96.7Very high96.7Very high111 Ų11132.8 Ų32.859%0.59417%0.173SC*.Hα-helixtrans-88.6-8.5-176.7-71.1-48.6000113.9G171 A172 V173G171-N175 WeakPolarHBondContact O-CB 3.43Å; G171-N175 PolarHBondContact O-N 3.42Å; G171-N175 PolarHBondContact O-ND2 2.7Å; A172-N175 PolarHBondContact O-N 3.32Å; V173-N175 VanDerWaalsContact C-N 3.34Å; V173-N175 PolarHBondContact O-N 3.01Å
176A97.7Very high96.6Very high4 Ų431.9 Ų31.93%0.03317%0.167CC..  trans-72.8142178.700000112.4A172 V173 I179 S199A172-A176 PolarHBondContact O-N 3.44Å; V173-A176 PolarHBondContact O-N 3.42Å; A176-I179 HydrophobicContact CB-CG1 3.9Å; A176-S199 PolarHBondContact O-OG 3.03Å
177E97.5Very high96.3Very high75 Ų7536.7 Ų36.735%0.3519%0.189SC..SBendtrans-93.7-21.316575.9-167.3160.700111.4N15 R16 K17 A202 K203N15-E177 WeakPolarHBondContact CA-OE1 3.33Å; N15-E177 HydrophobicContact CB-CG 3.95Å; N15-E177 WeakPolarHBondContact OD1-CG 3.35Å; R16-E177 WeakPolarHBondContact CA-OE1 3.2Å; R16-E177 PolarHBondContact N-OE1 2.94Å; K17-E177 HydrophobicContact CB-CB 4.41Å; K17-E177 HydrophobicContact CB-CG 4Å; K17-E177 PolarHBondContact N-OE1 3.4Å; K17-E177 WeakPolarHBondContact O-CG 3.49Å; K17-E177 PolarHBondContact O-N 3.46Å; E177-A202 WeakPolarHBondContact O-CA 3.39Å; E177-K203 PolarHBondContact O-N 3.07Å
178L98.3Very high95.7Very high0 Ų033.9 Ų33.90%018%0.179CC..EExtended strand (participates in β ladder)trans-131.8126.6172.6174.765000109.8I11 I12 N15 K17 I18 T19 V180 K203 V205I11-L178 HydrophobicContact CG2-CD1 3.8Å; I11-L178 HydrophobicContact CG2-CD2 4.06Å; I12-L178 HydrophobicContact CB-CD2 4.47Å; I12-L178 HydrophobicContact CG1-CD2 4.11Å; N15-L178 HydrophobicContact CB-CB 3.77Å; N15-L178 HydrophobicContact CB-CD2 3.97Å; K17-L178 PolarHBondContact O-N 3.47Å; I18-L178 CarbonylContact C-O 3.52Å; I18-L178 VanDerWaalsContact CA-O 3.31Å; I18-L178 WeakPolarHBondContact CA-O 3.49Å; I18-L178 HydrophobicContact CD1-CD2 4.36Å; I18-L178 HydrophobicContact CG1-CB 4.42Å; I18-L178 HydrophobicContact CG1-CD2 4.29Å; I18-L178 HydrophobicContact CG2-CB 4.43Å; I18-L178 HydrophobicContact CG2-CD2 4.12Å; I18-L178 HydrophobicContact CG2-CG 4.21Å; T19-L178 PolarHBondContact N-O 3.25Å; L178-V180 HydrophobicContact CD1-CG2 4.29Å; L178-V180 HydrophobicContact CD2-CG2 3.91Å; L178-V180 HydrophobicContact CG-CG2 3.84Å; L178-K203 WeakPolarHBondContact CA-O 3.36Å; L178-K203 HydrophobicContact CD1-CB 3.94Å; L178-V205 HydrophobicContact CD1-CB 4.38Å; L178-V205 HydrophobicContact CD1-CG2 3.73Å
179I98.4Very high95.2Very high0 Ų035.4 Ų35.40%019%0.185CC..EExtended strand (participates in β ladder)trans-108.2131.4169.3-61.9159.1000108.1T19 L21 V173 A176 I195 K198 A202 K203 L204 V205T19-I179 CarbonylContact O-C 3.6Å; T19-I179 WeakPolarHBondContact O-CA 3.39Å; L21-I179 HydrophobicContact CD1-CG2 3.88Å; L21-I179 HydrophobicContact CG-CG2 4.05Å; V173-I179 HydrophobicContact CG1-CD1 3.73Å; A176-I179 HydrophobicContact CB-CG1 3.9Å; I179-I195 HydrophobicContact CD1-CD1 4.49Å; I179-I195 HydrophobicContact CG2-CD1 4.43Å; I179-K198 HydrophobicContact CD1-CB 3.33Å; I179-K198 HydrophobicContact CD1-CD 4.32Å; I179-K198 HydrophobicContact CD1-CG 4.43Å; I179-A202 HydrophobicContact CD1-CB 4.24Å; I179-K203 PolarHBondContact N-O 2.56Å; I179-L204 HydrophobicContact CB-CD1 3.81Å; I179-L204 HydrophobicContact CG2-CD1 3.68Å; I179-L204 WeakPolarHBondContact O-CA 3.38Å; I179-V205 PolarHBondContact O-N 3.31Å
180V98.2Very high94.9Very high0 Ų037.5 Ų37.50%020%0.199CC..EExtended strand (participates in β ladder)trans-120.2110.7178.1-173.80000109.3I12 I18 T19 F20 L21 L178 V205 I207I12-V180 HydrophobicContact CD1-CG2 4.48Å; I12-V180 HydrophobicContact CG1-CG2 4.18Å; I18-V180 HydrophobicContact CG2-CG2 3.96Å; T19-V180 PolarHBondContact O-N 3.29Å; F20-V180 CarbonylContact C-O 3.15Å; F20-V180 WeakPolarHBondContact CA-O 3.28Å; F20-V180 HydrophobicContact CD1-CB 3.54Å; F20-V180 HydrophobicContact CD1-CG1 3.89Å; F20-V180 HydrophobicContact CD1-CG2 4.15Å; F20-V180 HydrophobicContact CE1-CB 3.68Å; F20-V180 HydrophobicContact CE1-CG1 3.9Å; F20-V180 HydrophobicContact CE1-CG2 3.82Å; F20-V180 HydrophobicContact CG-CB 4.49Å; L21-V180 PolarHBondContact N-O 3.17Å; L178-V180 HydrophobicContact CD1-CG2 4.29Å; L178-V180 HydrophobicContact CD2-CG2 3.91Å; L178-V180 HydrophobicContact CG-CG2 3.84Å; V180-V205 CarbonylContact C-O 3.58Å; V180-V205 VanDerWaalsContact CA-O 3.27Å; V180-V205 WeakPolarHBondContact CA-O 3.47Å; V180-V205 HydrophobicContact CG2-CB 4.45Å; V180-I207 HydrophobicContact CG1-CD1 3.75Å; V180-I207 HydrophobicContact CG1-CG1 4.3Å
181I98Very high94.7Very high1 Ų135.9 Ų35.91%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-88120.8172.6-62.2167.5000107.7L21 T184 F186 I195 L204 V205 V206 I207 I212 L214L21-I181 HydrophobicContact CB-CG1 4.11Å; L21-I181 HydrophobicContact CD1-CG1 4.16Å; L21-I181 WeakPolarHBondContact O-CA 3.45Å; I181-T184 HydrophobicContact CG2-CG2 3.51Å; I181-F186 HydrophobicContact CD1-CD1 4.04Å; I181-F186 HydrophobicContact CD1-CD2 4.12Å; I181-F186 HydrophobicContact CD1-CE1 3.9Å; I181-F186 HydrophobicContact CD1-CE2 3.99Å; I181-F186 HydrophobicContact CD1-CG 4.14Å; I181-F186 HydrophobicContact CD1-CZ 3.88Å; I181-F186 HydrophobicContact CG1-CD2 4.22Å; I181-F186 HydrophobicContact CG1-CE2 4.03Å; I181-F186 HydrophobicContact CG1-CZ 4.33Å; I181-F186 HydrophobicContact CG2-CB 4.22Å; I181-F186 HydrophobicContact CG2-CD2 3.69Å; I181-F186 HydrophobicContact CG2-CE2 4.31Å; I181-F186 HydrophobicContact CG2-CG 4.05Å; I181-I195 HydrophobicContact CD1-CD1 4.34Å; I181-L204 HydrophobicContact CD1-CD1 3.9Å; I181-L204 HydrophobicContact CG1-CD1 4.16Å; I181-V205 PolarHBondContact N-O 3.06Å; I181-V206 HydrophobicContact CB-CG2 4.29Å; I181-V206 HydrophobicContact CD1-CG2 4.35Å; I181-V206 CarbonylContact O-C 3.52Å; I181-V206 WeakPolarHBondContact O-CA 3.5Å; I181-I207 PolarHBondContact O-N 2.96Å; I181-I212 HydrophobicContact CD1-CD1 4.31Å; I181-I212 HydrophobicContact CG2-CD1 3.95Å; I181-L214 HydrophobicContact CD1-CD1 3.79Å; I181-L214 HydrophobicContact CD1-CD2 4.24Å
182A97.4Very high94.5Very high1 Ų135.2 Ų35.21%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-130129.6-174.500000112.7L21 T22 G23 V26 T184 I207L21-A182 PolarHBondContact O-N 2.8Å; T22-A182 WeakPolarHBondContact CA-O 3.37Å; T22-A182 HydrophobicContact CG2-CB 4.47Å; G23-A182 PolarHBondContact N-O 3.01Å; V26-A182 HydrophobicContact CG1-CB 3.91Å; V26-A182 WeakPolarHBondContact CG1-O 3.32Å; A182-T184 PolarHBondContact O-N 3.24Å; A182-I207 WeakPolarHBondContact CA-O 3.14Å
183G94.6Very high94.3Very high11 Ų1137.8 Ų37.811%0.11320%0.195CC..SBendtrans61.344.7169.400000114.6G23 A24 G25 I207G23-G183 CarbonylContact C-O 3.58Å; A24-G183 PolarHBondContact N-O 3.33Å; G25-G183 VanDerWaalsContact CA-O 3.24Å; G25-G183 WeakPolarHBondContact CA-O 3.4Å; G25-G183 PolarHBondContact N-O 3.29Å; G183-I207 PolarHBondContact N-O 3.33Å; G183-I207 VanDerWaalsContact N-O 3.08Å
184T93Very high94.1Very high12 Ų1238.1 Ų38.17%0.07420%0.197CC..SBendtrans-150.7151.4-178.9-179.50000112.3Q99 I181 A182 F186 N208 I212Q99-T184 PolarHBondContact NE2-OG1 3.15Å; I181-T184 HydrophobicContact CG2-CG2 3.51Å; A182-T184 PolarHBondContact O-N 3.24Å; T184-F186 HydrophobicContact CG2-CB 4.07Å; T184-F186 HydrophobicContact CG2-CD2 3.97Å; T184-F186 PolarHBondContact OG1-N 3.47Å; T184-N208 PolarHBondContact N-OD1 2.74Å; T184-N208 PolarHBondContact O-ND2 3.08Å; T184-I212 WeakPolarHBondContact O-CG2 3.29Å
185S90.1Very high94Very high28 Ų2832.8 Ų32.820%0.19617%0.174CC..  trans-67.3-24.5165.9500000112.3R36 Q187 I212R36-S185 VanDerWaalsContact NH2-CB 3.33Å; S185-Q187 PolarHBondContact O-N 2.95Å; S185-I212 WeakPolarHBondContact O-CG2 3.5Å
186F92.6Very high93.9Very high8 Ų835 Ų354%0.03518%0.175CC..  trans56.345.4-178.6-153.5-101.4000113.5L21 I181 T184 F191 C192 I195 I212 L214L21-F186 HydrophobicContact CB-CE2 3.97Å; L21-F186 HydrophobicContact CD1-CE2 3.63Å; L21-F186 HydrophobicContact CD1-CZ 3.65Å; L21-F186 HydrophobicContact CG-CE2 4.44Å; I181-F186 HydrophobicContact CD1-CD1 4.04Å; I181-F186 HydrophobicContact CD1-CD2 4.12Å; I181-F186 HydrophobicContact CD1-CE1 3.9Å; I181-F186 HydrophobicContact CD1-CE2 3.99Å; I181-F186 HydrophobicContact CD1-CG 4.14Å; I181-F186 HydrophobicContact CD1-CZ 3.88Å; I181-F186 HydrophobicContact CG1-CD2 4.22Å; I181-F186 HydrophobicContact CG1-CE2 4.03Å; I181-F186 HydrophobicContact CG1-CZ 4.33Å; I181-F186 HydrophobicContact CG2-CB 4.22Å; I181-F186 HydrophobicContact CG2-CD2 3.69Å; I181-F186 HydrophobicContact CG2-CE2 4.31Å; I181-F186 HydrophobicContact CG2-CG 4.05Å; T184-F186 HydrophobicContact CG2-CB 4.07Å; T184-F186 HydrophobicContact CG2-CD2 3.97Å; T184-F186 PolarHBondContact OG1-N 3.47Å; F186-F191 HydrophobicContact CD2-CD1 4.1Å; F186-F191 AromaticContact CD2-CE1 3.83Å; F186-F191 HydrophobicContact CD2-CE1 3.83Å; F186-F191 AromaticContact CE2-CD1 3.81Å; F186-F191 HydrophobicContact CE2-CD1 3.81Å; F186-F191 AromaticContact CE2-CE1 3.49Å; F186-F191 HydrophobicContact CE2-CE1 3.49Å; F186-F191 VanDerWaalsContact CE2-CE1 3.49Å; F186-C192 HydrophobicContact CD1-CB 3.88Å; F186-C192 HydrophobicContact CE1-CB 3.92Å; F186-C192 WeakPolarHBondContact CE1-O 3.3Å; F186-C192 HydrophobicContact CG-CB 4.43Å; F186-C192 HydrophobicContact CZ-CB 4.49Å; F186-C192 VanDerWaalsContact O-CB 3.27Å; F186-C192 WeakPolarHBondContact O-CB 3.4Å; F186-I195 HydrophobicContact CE1-CB 3.99Å; F186-I195 HydrophobicContact CE1-CG2 4.33Å; F186-I195 HydrophobicContact CZ-CB 4.23Å; F186-I212 HydrophobicContact CB-CD1 3.96Å; F186-L214 HydrophobicContact CD1-CD2 3.58Å; F186-L214 HydrophobicContact CE1-CD2 3.85Å
187Q88.6Confident93.8Very high135 Ų13538.9 Ų38.963%0.63119%0.193SC*.  trans-117.7-13.2-176.9-73171.4-18.300114.1S185 H189S185-Q187 PolarHBondContact O-N 2.95Å; Q187-H189 PolarHBondContact O-N 2.99Å
188V85.1Confident93.7Very high44 Ų4438.2 Ų38.227%0.26719%0.189SC..SBendtrans-80.4120.9-174.1-178.40000109.9F191 C192V188-F191 WeakPolarHBondContact O-CB 3.43Å; V188-F191 PolarHBondContact O-N 2.83Å; V188-F191 VanDerWaalsContact O-N 3.07Å; V188-C192 PolarHBondContact O-N 3.26Å; V188-C192 PolarHBondContact O-SG 3.5Å
189H87.6Confident93.4Very high127 Ų12740.1 Ų40.159%0.58820%0.202SC*.THydrogen-bonded Turntrans-82.6144.7174.7-70.2-89.3000111Q187 C192 D193Q187-H189 PolarHBondContact O-N 2.99Å; H189-C192 PolarHBondContact CE1-SG 3.37Å; H189-C192 PolarHBondContact ND1-SG 3.07Å; H189-C192 VanDerWaalsContact ND1-SG 3.42Å; H189-D193 IonicContact CE1-OD1 2.74Å; H189-D193 PolarHBondContact CE1-OD1 3.1Å; H189-D193 IonicContact CE1-OD2 3.73Å; H189-D193 IonicContact CG-OD2 3.98Å; H189-D193 IonicContact ND1-OD1 2.78Å; H189-D193 PolarHBondContact ND1-OD1 3.25Å; H189-D193 IonicContact ND1-OD2 2.65Å; H189-D193 PolarHBondContact ND1-OD2 3.07Å
190P90.1Very high93Very high43 Ų4349.7 Ų49.728%0.27924%0.244SC..THydrogen-bonded Turncis-89.17.91.135.2-34000114.1F116 F161 I166 C192 D193F116-P190 HydrophobicContact CE1-CG 4.09Å; F116-P190 HydrophobicContact CZ-CG 4.07Å; F161-P190 HydrophobicContact CD2-CG 3.96Å; F161-P190 HydrophobicContact CE2-CG 3.69Å; F161-P190 HydrophobicContact CZ-CG 4.1Å; I166-P190 HydrophobicContact CD1-CG 4.45Å; P190-C192 PolarHBondContact O-N 2.96Å; P190-D193 WeakPolarHBondContact O-CB 3.48Å; P190-D193 PolarHBondContact O-N 3.46Å; P190-D193 VanDerWaalsContact O-N 3.15Å
191F93.9Very high92.7Very high0 Ų057 Ų570%028%0.283CS..THydrogen-bonded Turntrans-61.4-43.2-176.5-176.5-95.4000112.9L21 V97 Q99 F116 F186 V188 D193 L194L21-F191 HydrophobicContact CB-CE1 4.14Å; L21-F191 HydrophobicContact CB-CZ 3.91Å; L21-F191 HydrophobicContact CD2-CZ 4.2Å; V97-F191 HydrophobicContact CB-CE2 4.35Å; V97-F191 HydrophobicContact CG1-CE2 3.76Å; V97-F191 WeakPolarHBondContact O-CZ 3.29Å; Q99-F191 VanDerWaalsContact CD-CE1 3.42Å; Q99-F191 HydrophobicContact CG-CB 4.15Å; Q99-F191 HydrophobicContact CG-CD1 3.39Å; Q99-F191 HydrophobicContact CG-CD2 3.63Å; Q99-F191 HydrophobicContact CG-CE1 3.52Å; Q99-F191 HydrophobicContact CG-CE2 3.73Å; Q99-F191 HydrophobicContact CG-CG 3.43Å; Q99-F191 VanDerWaalsContact CG-CG 3.43Å; Q99-F191 HydrophobicContact CG-CZ 3.68Å; Q99-F191 VanDerWaalsContact NE2-CD1 3.34Å; F116-F191 HydrophobicContact CB-CD2 3.87Å; F116-F191 HydrophobicContact CB-CE2 4.09Å; F116-F191 HydrophobicContact CD1-CB 3.88Å; F116-F191 AromaticContact CD1-CD2 3.54Å; F116-F191 HydrophobicContact CD1-CD2 3.54Å; F116-F191 HydrophobicContact CD1-CG 4.19Å; F116-F191 AromaticContact CD2-CD2 3.96Å; F116-F191 HydrophobicContact CD2-CD2 3.96Å; F116-F191 HydrophobicContact CD2-CE2 4.49Å; F116-F191 HydrophobicContact CE1-CB 3.67Å; F116-F191 AromaticContact CE1-CD2 3.97Å; F116-F191 HydrophobicContact CE1-CD2 3.97Å; F116-F191 HydrophobicContact CE1-CG 4.34Å; F116-F191 HydrophobicContact CE2-CD2 4.36Å; F116-F191 AromaticContact CG-CD2 3.52Å; F116-F191 HydrophobicContact CG-CD2 3.52Å; F116-F191 HydrophobicContact CG-CE2 4.16Å; F116-F191 HydrophobicContact CZ-CB 4.32Å; F116-F191 HydrophobicContact CZ-CD2 4.36Å; F186-F191 HydrophobicContact CD2-CD1 4.1Å; F186-F191 AromaticContact CD2-CE1 3.83Å; F186-F191 HydrophobicContact CD2-CE1 3.83Å; F186-F191 AromaticContact CE2-CD1 3.81Å; F186-F191 HydrophobicContact CE2-CD1 3.81Å; F186-F191 AromaticContact CE2-CE1 3.49Å; F186-F191 HydrophobicContact CE2-CE1 3.49Å; F186-F191 VanDerWaalsContact CE2-CE1 3.49Å; V188-F191 WeakPolarHBondContact O-CB 3.43Å; V188-F191 PolarHBondContact O-N 2.83Å; V188-F191 VanDerWaalsContact O-N 3.07Å; F191-D193 PolarHBondContact O-N 3.25Å; F191-L194 HydrophobicContact CD2-CD1 3.81Å; F191-L194 HydrophobicContact CE2-CD1 4.05Å; F191-L194 HydrophobicContact CG-CD1 4.39Å; F191-L194 VanDerWaalsContact O-CB 3.29Å; F191-L194 WeakPolarHBondContact O-CB 3.07Å; F191-L194 WeakPolarHBondContact O-CD1 3.2Å; F191-L194 VanDerWaalsContact O-CG 3.28Å; F191-L194 WeakPolarHBondContact O-CG 3.39Å; F191-L194 PolarHBondContact O-N 2.8Å
192C93Very high92.6Very high12 Ų1257.2 Ų57.28%0.08129%0.285CS..G310 helixtrans-65.4-26.1177.960.90000112.9F186 V188 H189 P190 L194 I195F186-C192 HydrophobicContact CD1-CB 3.88Å; F186-C192 HydrophobicContact CE1-CB 3.92Å; F186-C192 WeakPolarHBondContact CE1-O 3.3Å; F186-C192 HydrophobicContact CG-CB 4.43Å; F186-C192 HydrophobicContact CZ-CB 4.49Å; F186-C192 VanDerWaalsContact O-CB 3.27Å; F186-C192 WeakPolarHBondContact O-CB 3.4Å; V188-C192 PolarHBondContact O-N 3.26Å; V188-C192 PolarHBondContact O-SG 3.5Å; H189-C192 PolarHBondContact CE1-SG 3.37Å; H189-C192 PolarHBondContact ND1-SG 3.07Å; H189-C192 VanDerWaalsContact ND1-SG 3.42Å; P190-C192 PolarHBondContact O-N 2.96Å; C192-L194 PolarHBondContact O-N 3.28Å; C192-I195 WeakPolarHBondContact O-CG2 3.32Å; C192-I195 PolarHBondContact O-N 3.17Å
193D93.9Very high92.6Very high56 Ų5661.5 Ų61.530%0.29930%0.303SS..G310 helixtrans-71.1-19178.8-61.8-40.4000112.9H189 P190 F191 I195 Y196H189-D193 IonicContact CE1-OD1 2.74Å; H189-D193 PolarHBondContact CE1-OD1 3.1Å; H189-D193 IonicContact CE1-OD2 3.73Å; H189-D193 IonicContact CG-OD2 3.98Å; H189-D193 IonicContact ND1-OD1 2.78Å; H189-D193 PolarHBondContact ND1-OD1 3.25Å; H189-D193 IonicContact ND1-OD2 2.65Å; H189-D193 PolarHBondContact ND1-OD2 3.07Å; P190-D193 WeakPolarHBondContact O-CB 3.48Å; P190-D193 PolarHBondContact O-N 3.46Å; P190-D193 VanDerWaalsContact O-N 3.15Å; F191-D193 PolarHBondContact O-N 3.25Å; D193-I195 PolarHBondContact O-N 3.26Å; D193-Y196 HydrophobicContact CB-CD2 4.1Å; D193-Y196 HydrophobicContact CB-CE2 4.38Å; D193-Y196 WeakPolarHBondContact O-CB 3.19Å; D193-Y196 VanDerWaalsContact O-CD2 3.25Å; D193-Y196 WeakPolarHBondContact O-CD2 3.41Å; D193-Y196 PolarHBondContact O-N 3.34Å
194L95.1Very high92.7Very high7 Ų761.2 Ų61.24%0.03730%0.299CS..G310 helixtrans-53.2-27.6174-67174.6000111.8V97 F116 A169 I170 V173 F191 C192 Y196 E197V97-L194 HydrophobicContact CG1-CD1 4.1Å; F116-L194 HydrophobicContact CD2-CD1 4.16Å; F116-L194 HydrophobicContact CE2-CD1 3.76Å; F116-L194 HydrophobicContact CE2-CD2 4.18Å; F116-L194 HydrophobicContact CE2-CG 4.27Å; F116-L194 HydrophobicContact CZ-CD1 4.28Å; F116-L194 HydrophobicContact CZ-CG 4.5Å; A169-L194 HydrophobicContact CB-CD1 3.9Å; A169-L194 HydrophobicContact CB-CD2 3.77Å; I170-L194 HydrophobicContact CG1-CD2 3.96Å; V173-L194 VanDerWaalsContact CG1-O 3.28Å; V173-L194 WeakPolarHBondContact CG1-O 3.36Å; V173-L194 HydrophobicContact CG2-CB 4.27Å; F191-L194 HydrophobicContact CD2-CD1 3.81Å; F191-L194 HydrophobicContact CE2-CD1 4.05Å; F191-L194 HydrophobicContact CG-CD1 4.39Å; F191-L194 VanDerWaalsContact O-CB 3.29Å; F191-L194 WeakPolarHBondContact O-CB 3.07Å; F191-L194 WeakPolarHBondContact O-CD1 3.2Å; F191-L194 VanDerWaalsContact O-CG 3.28Å; F191-L194 WeakPolarHBondContact O-CG 3.39Å; F191-L194 PolarHBondContact O-N 2.8Å; C192-L194 PolarHBondContact O-N 3.28Å; L194-Y196 PolarHBondContact O-N 2.92Å; L194-E197 WeakPolarHBondContact O-CB 3.41Å; L194-E197 PolarHBondContact O-N 2.91Å
195I94.5Very high92.9Very high13 Ų1360.6 Ų60.67%0.06730%0.295CS..G310 helixtrans-61.6-24.8179.2-158.456.8000113.4I179 I181 F186 C192 D193 E197 K198 L204I179-I195 HydrophobicContact CD1-CD1 4.49Å; I179-I195 HydrophobicContact CG2-CD1 4.43Å; I181-I195 HydrophobicContact CD1-CD1 4.34Å; F186-I195 HydrophobicContact CE1-CB 3.99Å; F186-I195 HydrophobicContact CE1-CG2 4.33Å; F186-I195 HydrophobicContact CZ-CB 4.23Å; C192-I195 WeakPolarHBondContact O-CG2 3.32Å; C192-I195 PolarHBondContact O-N 3.17Å; D193-I195 PolarHBondContact O-N 3.26Å; I195-E197 VanDerWaalsContact C-N 3.26Å; I195-E197 PolarHBondContact O-N 3.46Å; I195-K198 HydrophobicContact CD1-CD 4.05Å; I195-K198 HydrophobicContact CG1-CD 4.34Å; I195-K198 WeakPolarHBondContact O-CB 3.48Å; I195-K198 WeakPolarHBondContact O-CD 3.36Å; I195-K198 WeakPolarHBondContact O-CG 3.44Å; I195-K198 PolarHBondContact O-N 3.22Å; I195-L204 HydrophobicContact CD1-CD1 3.8Å; I195-L204 HydrophobicContact CD1-CD2 3.74Å; I195-L204 HydrophobicContact CD1-CG 4.45Å; I195-L204 HydrophobicContact CG1-CD2 4.16Å
196Y94.1Very high93.3Very high158 Ų15859.3 Ų59.362%0.6229%0.286SS*.G310 helixtrans-75.3-16.9178.2-58.4-58.3000112.9D193 L194 K198D193-Y196 HydrophobicContact CB-CD2 4.1Å; D193-Y196 HydrophobicContact CB-CE2 4.38Å; D193-Y196 WeakPolarHBondContact O-CB 3.19Å; D193-Y196 VanDerWaalsContact O-CD2 3.25Å; D193-Y196 WeakPolarHBondContact O-CD2 3.41Å; D193-Y196 PolarHBondContact O-N 3.34Å; L194-Y196 PolarHBondContact O-N 2.92Å; Y196-K198 VanDerWaalsContact C-N 3.31Å
197E95.4Very high93.6Very high85 Ų8559 Ų5940%0.39729%0.285SS..G310 helixtrans-85.6-4.6177.2-62.2-62.5149.700113.1I170 V173 K174 L194 I195I170-E197 HydrophobicContact CD1-CG 4.47Å; I170-E197 HydrophobicContact CG1-CG 4.09Å; I170-E197 HydrophobicContact CG2-CB 4.16Å; I170-E197 HydrophobicContact CG2-CG 3.97Å; V173-E197 HydrophobicContact CG1-CB 4.47Å; K174-E197 WeakPolarHBondContact CA-O 3.41Å; L194-E197 WeakPolarHBondContact O-CB 3.41Å; L194-E197 PolarHBondContact O-N 2.91Å; I195-E197 VanDerWaalsContact C-N 3.26Å; I195-E197 PolarHBondContact O-N 3.46Å
198K94.8Very high93.9Very high61 Ų6153.3 Ų53.327%0.26526%0.259SS..SBendtrans-61.3146.5-179.477.9-177.2-164.371.20111.6V173 I179 I195 Y196 A202V173-K198 HydrophobicContact CG1-CB 4.01Å; I179-K198 HydrophobicContact CD1-CB 3.33Å; I179-K198 HydrophobicContact CD1-CD 4.32Å; I179-K198 HydrophobicContact CD1-CG 4.43Å; I195-K198 HydrophobicContact CD1-CD 4.05Å; I195-K198 HydrophobicContact CG1-CD 4.34Å; I195-K198 WeakPolarHBondContact O-CB 3.48Å; I195-K198 WeakPolarHBondContact O-CD 3.36Å; I195-K198 WeakPolarHBondContact O-CG 3.44Å; I195-K198 PolarHBondContact O-N 3.22Å; Y196-K198 VanDerWaalsContact C-N 3.31Å; K198-A202 HydrophobicContact CB-CB 4.5Å; K198-A202 PolarHBondContact NZ-O 2.96Å
199S93.3Very high94.2Very high40 Ų4056.4 Ų56.428%0.2827%0.271SS..  trans-62.6150.3170.475.40000110.9A176 D201 A202A176-S199 PolarHBondContact O-OG 3.03Å; S199-D201 PolarHBondContact O-N 2.9Å; S199-A202 WeakPolarHBondContact O-CB 3.49Å; S199-A202 PolarHBondContact O-N 3.48Å; S199-A202 VanDerWaalsContact O-N 3.15Å; S199-A202 VanDerWaalsContact OG-CB 3.28Å; S199-A202 WeakPolarHBondContact OG-CB 3.4Å; S199-A202 PolarHBondContact OG-N 3.27Å
200K90.5Very high94.3Very high202 Ų20253 Ų5388%0.87826%0.258SS*.THydrogen-bonded Turntrans-59.8-35.4-178.2-71.1-174.8178.8-1790112.2
201D91.9Very high94.3Very high153 Ų15355.2 Ų55.282%0.81827%0.273SS*.THydrogen-bonded Turntrans-88.8-6.4-177.9-54.7-46.1000113.1S199 K203S199-D201 PolarHBondContact O-N 2.9Å; D201-K203 PolarHBondContact O-N 2.99Å
202A95.2Very high94.1Very high6 Ų655.8 Ų55.85%0.0528%0.276CS..  trans-64124.4177.700000110.9E177 I179 K198 S199E177-A202 WeakPolarHBondContact O-CA 3.39Å; I179-A202 HydrophobicContact CD1-CB 4.24Å; K198-A202 HydrophobicContact CB-CB 4.5Å; K198-A202 PolarHBondContact NZ-O 2.96Å; S199-A202 WeakPolarHBondContact O-CB 3.49Å; S199-A202 PolarHBondContact O-N 3.48Å; S199-A202 VanDerWaalsContact O-N 3.15Å; S199-A202 VanDerWaalsContact OG-CB 3.28Å; S199-A202 WeakPolarHBondContact OG-CB 3.4Å; S199-A202 PolarHBondContact OG-N 3.27Å
203K96.5Very high93.7Very high90 Ų9064 Ų6439%0.39131%0.313SS..EExtended strand (participates in β ladder)trans-71.5144.6169.7-68.1176.7-177.2171.20109.4E177 L178 I179 D201E177-K203 PolarHBondContact O-N 3.07Å; L178-K203 WeakPolarHBondContact CA-O 3.36Å; L178-K203 HydrophobicContact CD1-CB 3.94Å; I179-K203 PolarHBondContact N-O 2.56Å; D201-K203 PolarHBondContact O-N 2.99Å
204L97.4Very high93.5Very high5 Ų562.6 Ų62.63%0.02631%0.305CS..EExtended strand (participates in β ladder)trans-118.4125.8176.6-173.655.6000109.8I179 I181 I195 L214 Y218 Y219I179-L204 HydrophobicContact CB-CD1 3.81Å; I179-L204 HydrophobicContact CG2-CD1 3.68Å; I179-L204 WeakPolarHBondContact O-CA 3.38Å; I181-L204 HydrophobicContact CD1-CD1 3.9Å; I181-L204 HydrophobicContact CG1-CD1 4.16Å; I195-L204 HydrophobicContact CD1-CD1 3.8Å; I195-L204 HydrophobicContact CD1-CD2 3.74Å; I195-L204 HydrophobicContact CD1-CG 4.45Å; I195-L204 HydrophobicContact CG1-CD2 4.16Å; L204-L214 HydrophobicContact CD2-CD1 3.88Å; L204-Y218 WeakPolarHBondContact O-CA 3.45Å; L204-Y219 PolarHBondContact O-N 3.29Å
205V98Very high92.8Very high0 Ų065.6 Ų65.60%033%0.331CS..EExtended strand (participates in β ladder)trans-121134.3173.8177.30000108.4A8 I11 L178 I179 V180 I181 I207 Y219A8-V205 HydrophobicContact CB-CG1 4.33Å; I11-V205 HydrophobicContact CB-CG2 4.49Å; I11-V205 HydrophobicContact CD1-CG2 4.33Å; I11-V205 HydrophobicContact CG2-CG2 3.8Å; L178-V205 HydrophobicContact CD1-CB 4.38Å; L178-V205 HydrophobicContact CD1-CG2 3.73Å; I179-V205 PolarHBondContact O-N 3.31Å; V180-V205 CarbonylContact C-O 3.58Å; V180-V205 VanDerWaalsContact CA-O 3.27Å; V180-V205 WeakPolarHBondContact CA-O 3.47Å; V180-V205 HydrophobicContact CG2-CB 4.45Å; I181-V205 PolarHBondContact N-O 3.06Å; V205-I207 HydrophobicContact CG1-CG1 4.15Å; V205-Y219 CarbonylContact C-O 3.59Å; V205-Y219 WeakPolarHBondContact CA-O 3.43Å; V205-Y219 HydrophobicContact CG2-CD2 4.12Å
206V98.2Very high92.4Very high1 Ų168 Ų681%0.00636%0.36CS..EExtended strand (participates in β ladder)trans-116.8123.5175.9179.60000108.4I181 N208 I212 L214 Y218 Y219 F220 V221I181-V206 HydrophobicContact CB-CG2 4.29Å; I181-V206 HydrophobicContact CD1-CG2 4.35Å; I181-V206 CarbonylContact O-C 3.52Å; I181-V206 WeakPolarHBondContact O-CA 3.5Å; V206-N208 HydrophobicContact CG1-CB 4.25Å; V206-I212 HydrophobicContact CB-CD1 4.36Å; V206-I212 HydrophobicContact CG1-CD1 3.5Å; V206-I212 HydrophobicContact CG1-CG1 3.83Å; V206-I212 HydrophobicContact CG2-CD1 3.88Å; V206-I212 HydrophobicContact CG2-CG1 4.38Å; V206-L214 HydrophobicContact CG2-CD1 3.66Å; V206-Y218 HydrophobicContact CB-CD2 4.27Å; V206-Y218 HydrophobicContact CG2-CD2 3.61Å; V206-Y218 HydrophobicContact CG2-CE2 4.08Å; V206-Y218 HydrophobicContact CG2-CG 4.38Å; V206-Y219 PolarHBondContact N-O 3.39Å; V206-F220 HydrophobicContact CB-CD2 3.93Å; V206-F220 HydrophobicContact CG1-CD2 3.79Å; V206-F220 HydrophobicContact CG1-CE2 4.11Å; V206-V221 PolarHBondContact O-N 2.81Å
207I97.6Very high92.2Very high1 Ų169.6 Ų69.61%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-115.2104.6175.2-56.5167.2000107.3I12 V180 I181 A182 G183 V205 T223 V228 F229I12-I207 HydrophobicContact CD1-CD1 4.07Å; V180-I207 HydrophobicContact CG1-CD1 3.75Å; V180-I207 HydrophobicContact CG1-CG1 4.3Å; I181-I207 PolarHBondContact O-N 2.96Å; A182-I207 WeakPolarHBondContact CA-O 3.14Å; G183-I207 PolarHBondContact N-O 3.33Å; G183-I207 VanDerWaalsContact N-O 3.08Å; V205-I207 HydrophobicContact CG1-CG1 4.15Å; I207-T223 HydrophobicContact CG2-CG2 4.1Å; I207-V228 HydrophobicContact CD1-CB 4.13Å; I207-V228 HydrophobicContact CD1-CG1 3.81Å; I207-V228 HydrophobicContact CD1-CG2 4.15Å; I207-V228 HydrophobicContact CG1-CG2 4.36Å; I207-V228 HydrophobicContact CG2-CB 4.47Å; I207-V228 HydrophobicContact CG2-CG2 3.79Å; I207-F229 HydrophobicContact CD1-CE2 4.04Å; I207-F229 HydrophobicContact CD1-CZ 4.47Å
208N95.3Very high92.1Very high15 Ų1568.1 Ų68.18%0.0836%0.364CS..EExtended strand (participates in β ladder)trans-155.5152.3-177.2-156.129.7000111.6T184 V206 T210 F220 V221 Q222 T223T184-N208 PolarHBondContact N-OD1 2.74Å; T184-N208 PolarHBondContact O-ND2 3.08Å; V206-N208 HydrophobicContact CG1-CB 4.25Å; N208-T210 VanDerWaalsContact C-N 3.28Å; N208-T210 WeakPolarHBondContact CB-O 3.5Å; N208-T210 PolarHBondContact ND2-O 2.75Å; N208-T210 PolarHBondContact O-N 2.88Å; N208-F220 HydrophobicContact CB-CE2 4.2Å; N208-V221 PolarHBondContact N-O 3.02Å; N208-Q222 VanDerWaalsContact O-CA 3.27Å; N208-Q222 WeakPolarHBondContact O-CA 3.49Å; N208-T223 CarbonylContact C-O 3.46Å; N208-T223 VanDerWaalsContact C-O 3.26Å; N208-T223 PolarHBondContact O-N 3.12Å
209Q92.4Very high92.3Very high110 Ų11068.8 Ų68.851%0.51437%0.365SS..SBendtrans-73.8-22.7177.3-61.9-175.933.500112.8Q222 T223 D224Q209-Q222 WeakPolarHBondContact O-CG 3.35Å; Q209-Q222 PolarHBondContact O-NE2 3.18Å; Q209-Q222 VanDerWaalsContact O-NE2 3.12Å; Q209-T223 PolarHBondContact N-O 3.25Å; Q209-D224 PolarHBondContact NE2-OD2 3.12Å
210T89.3Confident92.4Very high54 Ų5467.4 Ų67.433%0.33135%0.354SS..SBendtrans-124.8145.1178.852.40000110.8R36 N208R36-T210 PolarHBondContact NH1-OG1 3.03Å; N208-T210 VanDerWaalsContact C-N 3.28Å; N208-T210 WeakPolarHBondContact CB-O 3.5Å; N208-T210 PolarHBondContact ND2-O 2.75Å; N208-T210 PolarHBondContact O-N 2.88Å
211P89.2Confident92.7Very high91 Ų9158 Ų5859%0.59131%0.314SS*.  trans-58.9148.1175.5-23.633.9000112.4F220P211-F220 HydrophobicContact CB-CE1 4.37Å; P211-F220 HydrophobicContact CB-CZ 4.39Å; P211-F220 HydrophobicContact CG-CE1 4.12Å; P211-F220 HydrophobicContact CG-CZ 4.26Å
212I90Very high92.9Very high11 Ų1156.3 Ų56.36%0.05630%0.301CS..  trans-120.5155.4170.866.5177.5000109.7I181 T184 S185 F186 V206 L214 Y218I181-I212 HydrophobicContact CD1-CD1 4.31Å; I181-I212 HydrophobicContact CG2-CD1 3.95Å; T184-I212 WeakPolarHBondContact O-CG2 3.29Å; S185-I212 WeakPolarHBondContact O-CG2 3.5Å; F186-I212 HydrophobicContact CB-CD1 3.96Å; V206-I212 HydrophobicContact CB-CD1 4.36Å; V206-I212 HydrophobicContact CG1-CD1 3.5Å; V206-I212 HydrophobicContact CG1-CG1 3.83Å; V206-I212 HydrophobicContact CG2-CD1 3.88Å; V206-I212 HydrophobicContact CG2-CG1 4.38Å; I212-L214 HydrophobicContact CD1-CD1 3.66Å; I212-L214 HydrophobicContact CD1-CD2 4.39Å; I212-L214 HydrophobicContact CD1-CG 3.98Å; I212-L214 HydrophobicContact CG1-CD1 4Å; I212-L214 HydrophobicContact CG1-CG 4.06Å; I212-Y218 PolarHBondContact O-OH 3.31Å
213Q85.3Confident92.8Very high184 Ų18457.5 Ų57.586%0.8631%0.308SS*.  trans-97.9116.8179.4-170.1168.78.400109.8
214L88.6Confident92.6Very high27 Ų2755.2 Ų55.214%0.14130%0.3CS..  trans-131149.7178.5-66.8170.4000110.2I181 F186 L204 V206 I212 Y218I181-L214 HydrophobicContact CD1-CD1 3.79Å; I181-L214 HydrophobicContact CD1-CD2 4.24Å; F186-L214 HydrophobicContact CD1-CD2 3.58Å; F186-L214 HydrophobicContact CE1-CD2 3.85Å; L204-L214 HydrophobicContact CD2-CD1 3.88Å; V206-L214 HydrophobicContact CG2-CD1 3.66Å; I212-L214 HydrophobicContact CD1-CD1 3.66Å; I212-L214 HydrophobicContact CD1-CD2 4.39Å; I212-L214 HydrophobicContact CD1-CG 3.98Å; I212-L214 HydrophobicContact CG1-CD1 4Å; I212-L214 HydrophobicContact CG1-CG 4.06Å; L214-Y218 HydrophobicContact CB-CD1 4.07Å; L214-Y218 HydrophobicContact CB-CE1 3.86Å; L214-Y218 HydrophobicContact CD1-CD1 4.32Å; L214-Y218 HydrophobicContact CD1-CD2 4.36Å; L214-Y218 HydrophobicContact CD1-CE1 4.47Å; L214-Y218 HydrophobicContact CD1-CE2 4.47Å; L214-Y218 HydrophobicContact CD1-CG 4.28Å
215A82Confident92.3Very high70 Ų7055.5 Ų55.558%0.57930%0.304SS*.SBendtrans-79.6136.1170.900000110.8
216G84.4Confident92.1Very high65 Ų6556.9 Ų56.967%0.6731%0.312SS*.SBendtrans88.2-171.217600000114.8
217E89.9Confident91.8Very high191 Ų19158.4 Ų58.489%0.89333%0.325SS*.  trans-85.7133.9-177.5-65.3-175.8179.100112
218Y95Very high91.6Very high54 Ų5458.3 Ų58.321%0.21233%0.325CS..  trans-149.8157.6174.461.7-82.1000111.1M1 L204 V206 I212 L214 F220M1-Y218 PolarHBondContact N-O 3.24Å; L204-Y218 WeakPolarHBondContact O-CA 3.45Å; V206-Y218 HydrophobicContact CB-CD2 4.27Å; V206-Y218 HydrophobicContact CG2-CD2 3.61Å; V206-Y218 HydrophobicContact CG2-CE2 4.08Å; V206-Y218 HydrophobicContact CG2-CG 4.38Å; I212-Y218 PolarHBondContact O-OH 3.31Å; L214-Y218 HydrophobicContact CB-CD1 4.07Å; L214-Y218 HydrophobicContact CB-CE1 3.86Å; L214-Y218 HydrophobicContact CD1-CD1 4.32Å; L214-Y218 HydrophobicContact CD1-CD2 4.36Å; L214-Y218 HydrophobicContact CD1-CE1 4.47Å; L214-Y218 HydrophobicContact CD1-CE2 4.47Å; L214-Y218 HydrophobicContact CD1-CG 4.28Å; Y218-F220 HydrophobicContact CD2-CB 4.3Å; Y218-F220 HydrophobicContact CE2-CB 4.06Å
219Y97.3Very high91.6Very high74 Ų7457.6 Ų57.629%0.2932%0.321SS..EExtended strand (participates in β ladder)trans-89.6137.6169.5-57.6-67.5000110.1M1 I3 I11 L204 V205 V206M1-Y219 HydrophobicContact CB-CD1 4.23Å; M1-Y219 HydrophobicContact CE-CD1 3.67Å; M1-Y219 HydrophobicContact CE-CE1 3.4Å; M1-Y219 CarbonylContact O-C 3.59Å; M1-Y219 VanDerWaalsContact O-CA 3.29Å; M1-Y219 WeakPolarHBondContact O-CA 3.28Å; M1-Y219 HydrophobicContact SD-CD1 4.48Å; M1-Y219 HydrophobicContact SD-CE1 4.16Å; I3-Y219 HydrophobicContact CD1-CD1 4.49Å; I3-Y219 HydrophobicContact CD1-CG 4.13Å; I3-Y219 HydrophobicContact CG2-CD1 3.58Å; I3-Y219 HydrophobicContact CG2-CE1 4.4Å; I3-Y219 HydrophobicContact CG2-CG 4.23Å; I11-Y219 HydrophobicContact CD1-CD2 3.87Å; I11-Y219 HydrophobicContact CD1-CE2 4.14Å; I11-Y219 HydrophobicContact CD1-CG 4.17Å; L204-Y219 PolarHBondContact O-N 3.29Å; V205-Y219 CarbonylContact C-O 3.59Å; V205-Y219 WeakPolarHBondContact CA-O 3.43Å; V205-Y219 HydrophobicContact CG2-CD2 4.12Å; V206-Y219 PolarHBondContact N-O 3.39Å
220F97.4Very high91.5Very high11 Ų1157.2 Ų57.25%0.04832%0.319CS..EExtended strand (participates in β ladder)trans-123.7132.9179.5178.3-127.3000110.6M1 E2 I3 V206 N208 P211 Y218 Q222M1-F220 PolarHBondContact O-N 2.78Å; E2-F220 CarbonylContact C-O 3.53Å; E2-F220 WeakPolarHBondContact CA-O 3.49Å; E2-F220 HydrophobicContact CG-CD1 4.02Å; I3-F220 PolarHBondContact N-O 2.7Å; V206-F220 HydrophobicContact CB-CD2 3.93Å; V206-F220 HydrophobicContact CG1-CD2 3.79Å; V206-F220 HydrophobicContact CG1-CE2 4.11Å; N208-F220 HydrophobicContact CB-CE2 4.2Å; P211-F220 HydrophobicContact CB-CE1 4.37Å; P211-F220 HydrophobicContact CB-CZ 4.39Å; P211-F220 HydrophobicContact CG-CE1 4.12Å; P211-F220 HydrophobicContact CG-CZ 4.26Å; Y218-F220 HydrophobicContact CD2-CB 4.3Å; Y218-F220 HydrophobicContact CE2-CB 4.06Å; F220-Q222 HydrophobicContact CE1-CB 3.74Å; F220-Q222 HydrophobicContact CE1-CG 4.27Å; F220-Q222 HydrophobicContact CZ-CB 3.77Å; F220-Q222 HydrophobicContact CZ-CG 4.04Å
221V96.5Very high91.5Very high4 Ų458.9 Ų58.92%0.02432%0.322CS..EExtended strand (participates in β ladder)trans-120.7113.7170-170.40000108.6I3 V5 A8 V206 N208 T223I3-V221 HydrophobicContact CD1-CG2 4.02Å; I3-V221 HydrophobicContact CG1-CG2 3.41Å; I3-V221 VanDerWaalsContact CG1-CG2 3.41Å; V5-V221 HydrophobicContact CG2-CG1 3.97Å; A8-V221 HydrophobicContact CB-CG2 3.55Å; V206-V221 PolarHBondContact O-N 2.81Å; N208-V221 PolarHBondContact N-O 3.02Å; V221-T223 HydrophobicContact CB-CG2 4.39Å; V221-T223 HydrophobicContact CG1-CG2 3.56Å; V221-T223 PolarHBondContact O-N 3.41Å
222Q95.6Very high91.4Very high118 Ų11854.6 Ų54.655%0.55129%0.294SS*.EExtended strand (participates in β ladder)trans-82.692.8175.9-166.3175.7-10.900110.3N208 Q209 F220N208-Q222 VanDerWaalsContact O-CA 3.27Å; N208-Q222 WeakPolarHBondContact O-CA 3.49Å; Q209-Q222 WeakPolarHBondContact O-CG 3.35Å; Q209-Q222 PolarHBondContact O-NE2 3.18Å; Q209-Q222 VanDerWaalsContact O-NE2 3.12Å; F220-Q222 HydrophobicContact CE1-CB 3.74Å; F220-Q222 HydrophobicContact CE1-CG 4.27Å; F220-Q222 HydrophobicContact CZ-CB 3.77Å; F220-Q222 HydrophobicContact CZ-CG 4.04Å
223T93.9Very high91.2Very high31 Ų3155.5 Ų55.519%0.1930%0.3CS..SBendtrans-162.6169.8-178.1-163.90000111.5V5 I207 N208 Q209 V221 V228V5-T223 HydrophobicContact CG2-CG2 4.22Å; I207-T223 HydrophobicContact CG2-CG2 4.1Å; N208-T223 CarbonylContact C-O 3.46Å; N208-T223 VanDerWaalsContact C-O 3.26Å; N208-T223 PolarHBondContact O-N 3.12Å; Q209-T223 PolarHBondContact N-O 3.25Å; V221-T223 HydrophobicContact CB-CG2 4.39Å; V221-T223 HydrophobicContact CG1-CG2 3.56Å; V221-T223 PolarHBondContact O-N 3.41Å; T223-V228 HydrophobicContact CG2-CG2 3.69Å
224D91.3Very high91.1Very high43 Ų4347.4 Ų47.423%0.2326%0.262CS..  trans-70.9138.5165.6-169.5-85.6000110.2Q209 T226 A227Q209-D224 PolarHBondContact NE2-OD2 3.12Å; D224-T226 PolarHBondContact O-N 3.49Å; D224-T226 VanDerWaalsContact O-N 3.15Å; D224-T226 VanDerWaalsContact OD1-CB 3.31Å; D224-T226 WeakPolarHBondContact OD1-CB 3.48Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.3Å; D224-T226 PolarHBondContact OD1-N 3.14Å; D224-T226 PolarHBondContact OD1-OG1 3.04Å; D224-A227 WeakPolarHBondContact O-CB 2.8Å; D224-A227 PolarHBondContact O-N 2.89Å
225G90.3Very high90.7Very high11 Ų1148.8 Ų48.811%0.11327%0.267CS..Hα-helixtrans-52.1-40.5-179.400000112.7A227 V228 F229G225-A227 PolarHBondContact O-N 2.97Å; G225-V228 PolarHBondContact O-N 3.37Å; G225-F229 VanDerWaalsContact O-CD2 3.26Å; G225-F229 WeakPolarHBondContact O-CD2 3.47Å; G225-F229 PolarHBondContact O-N 3.33Å; G225-F229 VanDerWaalsContact O-N 3.08Å
226T93.5Very high90.8Very high28 Ų2849.4 Ų49.417%0.17226%0.258CS..Hα-helixtrans-53.3-40.4179.855.70000112.6P29 I81 D224 V228 F229 E230P29-T226 HydrophobicContact CB-CG2 3.95Å; P29-T226 HydrophobicContact CG-CG2 3.62Å; I81-T226 HydrophobicContact CD1-CG2 4.1Å; I81-T226 HydrophobicContact CG1-CG2 4.23Å; D224-T226 PolarHBondContact O-N 3.49Å; D224-T226 VanDerWaalsContact O-N 3.15Å; D224-T226 VanDerWaalsContact OD1-CB 3.31Å; D224-T226 WeakPolarHBondContact OD1-CB 3.48Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.3Å; D224-T226 PolarHBondContact OD1-N 3.14Å; D224-T226 PolarHBondContact OD1-OG1 3.04Å; T226-V228 PolarHBondContact O-N 3.12Å; T226-V228 VanDerWaalsContact O-N 3.15Å; T226-F229 PolarHBondContact O-N 3.19Å; T226-E230 VanDerWaalsContact O-CB 3.28Å; T226-E230 WeakPolarHBondContact O-CB 3.27Å; T226-E230 VanDerWaalsContact O-CG 3.23Å; T226-E230 WeakPolarHBondContact O-CG 3.42Å; T226-E230 PolarHBondContact O-N 3.2Å
227A92.8Very high90.5Very high33 Ų3347.6 Ų47.627%0.27323%0.232SC..Hα-helixtrans-61.5-27.3-179.800000113.7V5 D224 G225V5-A227 WeakPolarHBondContact CG1-O 3.36Å; D224-A227 WeakPolarHBondContact O-CB 2.8Å; D224-A227 PolarHBondContact O-N 2.89Å; G225-A227 PolarHBondContact O-N 2.97Å
228V94.2Very high90.1Very high0 Ų042 Ų420%021%0.206CC..Hα-helixtrans-86.1-48.3174.6-176.60000110.7V5 A8 V9 I12 I207 T223 G225 T226 K231V5-V228 HydrophobicContact CG1-CG2 4.16Å; A8-V228 HydrophobicContact CB-CG1 4.46Å; V9-V228 HydrophobicContact CG2-CG1 3.93Å; I12-V228 HydrophobicContact CD1-CG1 4.17Å; I207-V228 HydrophobicContact CD1-CB 4.13Å; I207-V228 HydrophobicContact CD1-CG1 3.81Å; I207-V228 HydrophobicContact CD1-CG2 4.15Å; I207-V228 HydrophobicContact CG1-CG2 4.36Å; I207-V228 HydrophobicContact CG2-CB 4.47Å; I207-V228 HydrophobicContact CG2-CG2 3.79Å; T223-V228 HydrophobicContact CG2-CG2 3.69Å; G225-V228 PolarHBondContact O-N 3.37Å; T226-V228 PolarHBondContact O-N 3.12Å; T226-V228 VanDerWaalsContact O-N 3.15Å; V228-K231 PolarHBondContact O-N 2.97Å
229F94.2Very high89.3Confident0 Ų044.5 Ų44.50%022%0.222CC..Hα-helixtrans-74.1-27-172.4-73.6-89.4000113.5F20 I81 E84 M85 M88 I207 G225 T226 K231 L232F20-F229 HydrophobicContact CD1-CE1 4.45Å; F20-F229 HydrophobicContact CD1-CZ 4.1Å; F20-F229 AromaticContact CE1-CE1 3.8Å; F20-F229 HydrophobicContact CE1-CE1 3.8Å; F20-F229 AromaticContact CE1-CZ 3.71Å; F20-F229 HydrophobicContact CE1-CZ 3.71Å; F20-F229 HydrophobicContact CZ-CE1 4.23Å; I81-F229 HydrophobicContact CB-CB 4.39Å; I81-F229 HydrophobicContact CB-CD2 4.16Å; I81-F229 HydrophobicContact CB-CG 4.19Å; I81-F229 HydrophobicContact CG1-CB 4.07Å; I81-F229 HydrophobicContact CG1-CD2 3.85Å; I81-F229 HydrophobicContact CG1-CG 4.11Å; I81-F229 HydrophobicContact CG2-CD1 4.26Å; I81-F229 HydrophobicContact CG2-CD2 3.71Å; I81-F229 HydrophobicContact CG2-CE1 4.3Å; I81-F229 HydrophobicContact CG2-CE2 3.78Å; I81-F229 HydrophobicContact CG2-CG 3.98Å; I81-F229 HydrophobicContact CG2-CZ 4.09Å; E84-F229 HydrophobicContact CB-CB 4.46Å; E84-F229 HydrophobicContact CB-CD1 4.1Å; E84-F229 HydrophobicContact CG-CD1 4.15Å; M85-F229 HydrophobicContact CE-CE1 3.62Å; M85-F229 HydrophobicContact CE-CE2 4.08Å; M85-F229 HydrophobicContact CE-CZ 3.31Å; M85-F229 HydrophobicContact CG-CE1 3.87Å; M88-F229 HydrophobicContact CE-CE1 4.21Å; I207-F229 HydrophobicContact CD1-CE2 4.04Å; I207-F229 HydrophobicContact CD1-CZ 4.47Å; G225-F229 VanDerWaalsContact O-CD2 3.26Å; G225-F229 WeakPolarHBondContact O-CD2 3.47Å; G225-F229 PolarHBondContact O-N 3.33Å; G225-F229 VanDerWaalsContact O-N 3.08Å; T226-F229 PolarHBondContact O-N 3.19Å; F229-K231 VanDerWaalsContact C-N 3.28Å; F229-K231 PolarHBondContact O-N 3.21Å; F229-L232 HydrophobicContact CD1-CD1 3.92Å; F229-L232 HydrophobicContact CE1-CD1 4.3Å; F229-L232 HydrophobicContact CG-CD1 4.45Å; F229-L232 WeakPolarHBondContact O-CB 3.33Å; F229-L232 PolarHBondContact O-N 3.46Å; F229-L232 VanDerWaalsContact O-N 3.09Å
230E90.5Very high88.4Confident101 Ų10144.1 Ų44.147%0.47223%0.234SC..G310 helixtrans-65.7-32.7173.5-73.1172.8177.800112.2T226 L232 T233 E236T226-E230 VanDerWaalsContact O-CB 3.28Å; T226-E230 WeakPolarHBondContact O-CB 3.27Å; T226-E230 VanDerWaalsContact O-CG 3.23Å; T226-E230 WeakPolarHBondContact O-CG 3.42Å; T226-E230 PolarHBondContact O-N 3.2Å; E230-L232 PolarHBondContact O-N 3.37Å; E230-T233 VanDerWaalsContact O-CG2 3.26Å; E230-T233 WeakPolarHBondContact O-CG2 3.27Å; E230-T233 PolarHBondContact O-N 3.19Å; E230-T233 PolarHBondContact O-OG1 3.44Å; E230-E236 WeakPolarHBondContact O-CG 3.38Å
231K89.2Confident87.3Confident89 Ų8947 Ų4739%0.38727%0.268SS..G310 helixtrans-75.2-8.1173.7-70.7-172.3174.5-130.20114.3V5 D6 V9 V228 F229V5-K231 HydrophobicContact CG1-CD 3.84Å; D6-K231 IonicContact OD1-NZ 3.18Å; D6-K231 PolarHBondContact OD1-NZ 3.33Å; D6-K231 IonicContact OD2-NZ 2.63Å; V9-K231 HydrophobicContact CG1-CB 4.44Å; V9-K231 HydrophobicContact CG2-CB 3.75Å; V9-K231 HydrophobicContact CG2-CD 4.32Å; V228-K231 PolarHBondContact O-N 2.97Å; F229-K231 VanDerWaalsContact C-N 3.28Å; F229-K231 PolarHBondContact O-N 3.21Å
232L87.6Confident86.3Confident1 Ų151.8 Ų51.81%0.00529%0.288CS..G310 helixtrans-92-11.8177.5-73.1171.8000112.7V9 I12 Q13 E84 M88 F229 E230 K237V9-L232 HydrophobicContact CB-CD2 4.45Å; V9-L232 HydrophobicContact CG1-CD2 3.83Å; V9-L232 HydrophobicContact CG1-CG 4.42Å; I12-L232 HydrophobicContact CB-CD1 4.38Å; I12-L232 HydrophobicContact CB-CD2 4.3Å; I12-L232 HydrophobicContact CD1-CD1 4.07Å; I12-L232 HydrophobicContact CG2-CD1 3.81Å; I12-L232 HydrophobicContact CG2-CD2 4.02Å; Q13-L232 HydrophobicContact CG-CD2 3.66Å; E84-L232 HydrophobicContact CG-CB 3.57Å; E84-L232 HydrophobicContact CG-CD1 4.4Å; M88-L232 HydrophobicContact CE-CD1 4.45Å; F229-L232 HydrophobicContact CD1-CD1 3.92Å; F229-L232 HydrophobicContact CE1-CD1 4.3Å; F229-L232 HydrophobicContact CG-CD1 4.45Å; F229-L232 WeakPolarHBondContact O-CB 3.33Å; F229-L232 PolarHBondContact O-N 3.46Å; F229-L232 VanDerWaalsContact O-N 3.09Å; E230-L232 PolarHBondContact O-N 3.37Å; L232-K237 WeakPolarHBondContact O-CE 3.47Å; L232-K237 PolarHBondContact O-NZ 2.77Å
233T85.9Confident85.1Confident30 Ų3054.4 Ų54.418%0.18431%0.305CS..SBendtrans-58.2153.4-176.862.90000113.5E84 E230 K235 E236 K237E84-T233 WeakPolarHBondContact OE2-CA 3.5Å; E230-T233 VanDerWaalsContact O-CG2 3.26Å; E230-T233 WeakPolarHBondContact O-CG2 3.27Å; E230-T233 PolarHBondContact O-N 3.19Å; E230-T233 PolarHBondContact O-OG1 3.44Å; T233-K235 PolarHBondContact O-N 2.91Å; T233-E236 PolarHBondContact O-N 2.97Å; T233-E236 WeakPolarHBondContact OG1-CB 3.37Å; T233-E236 WeakPolarHBondContact OG1-CG 3.26Å; T233-E236 PolarHBondContact OG1-N 2.9Å; T233-K237 WeakPolarHBondContact O-CG 3.26Å; T233-K237 PolarHBondContact O-N 3.07Å
234E82Confident84.5Confident15 Ų1557.6 Ų57.67%0.0731%0.314CS..Hα-helixtrans-61-30.5176.1-63.9-55.6133.600112.5K237 M238 Y244 F245 D248 L251E234-K237 PolarHBondContact O-N 3.14Å; E234-K237 IonicContact OE1-NZ 3.05Å; E234-K237 PolarHBondContact OE1-NZ 3.23Å; E234-M238 WeakPolarHBondContact O-CB 3.34Å; E234-M238 PolarHBondContact O-N 2.89Å; E234-Y244 WeakPolarHBondContact OE2-CA 3.31Å; E234-Y244 WeakPolarHBondContact OE2-CB 3.45Å; E234-F245 HydrophobicContact CG-CB 4.33Å; E234-F245 PolarHBondContact OE2-N 3.3Å; E234-D248 HydrophobicContact CB-CB 3.91Å; E234-D248 HydrophobicContact CG-CB 4.06Å; E234-L251 HydrophobicContact CB-CD1 4.16Å
235K81.4Confident83.7Confident56 Ų5660.4 Ų60.424%0.24332%0.324CS..Hα-helixtrans-66.7-45.4174-175.8168.6179.5164.50112.5T233 K237 M238 I239 E250 L251 D254T233-K235 PolarHBondContact O-N 2.91Å; K235-K237 VanDerWaalsContact C-N 3.32Å; K235-K237 PolarHBondContact O-N 2.82Å; K235-M238 WeakPolarHBondContact O-CB 3.43Å; K235-M238 PolarHBondContact O-N 2.65Å; K235-I239 HydrophobicContact CG-CD1 4Å; K235-I239 VanDerWaalsContact O-CG1 3.31Å; K235-I239 WeakPolarHBondContact O-CG1 3.21Å; K235-I239 PolarHBondContact O-N 3.12Å; K235-E250 WeakPolarHBondContact CD-OE1 3.32Å; K235-E250 IonicContact NZ-OE1 2.66Å; K235-E250 PolarHBondContact NZ-OE1 3.19Å; K235-L251 HydrophobicContact CB-CD2 3.99Å; K235-L251 HydrophobicContact CG-CD2 4.17Å; K235-D254 WeakPolarHBondContact CE-OD2 3.26Å; K235-D254 IonicContact NZ-OD2 3.85Å; K235-D254 PolarHBondContact NZ-OD2 3.36Å
236E83Confident82.9Confident82 Ų8262.2 Ų62.238%0.38334%0.338SS..Hα-helixtrans-66.4-35.8174.9-72.1-60135.800111.8E230 T233 I239 A240E230-E236 WeakPolarHBondContact O-CG 3.38Å; T233-E236 PolarHBondContact O-N 2.97Å; T233-E236 WeakPolarHBondContact OG1-CB 3.37Å; T233-E236 WeakPolarHBondContact OG1-CG 3.26Å; T233-E236 PolarHBondContact OG1-N 2.9Å; E236-I239 PolarHBondContact O-N 2.9Å; E236-A240 WeakPolarHBondContact O-CB 3.25Å; E236-A240 PolarHBondContact O-N 3.35Å
237K78.7Confident82Confident28 Ų2862.8 Ų62.812%0.12235%0.349CS..Hα-helixtrans-59.8-45.8170.4-68.8171-169.1147.70111.5E84 L232 T233 E234 K235 A240 G241 K242E84-K237 IonicContact OE1-NZ 2.74Å; L232-K237 WeakPolarHBondContact O-CE 3.47Å; L232-K237 PolarHBondContact O-NZ 2.77Å; T233-K237 WeakPolarHBondContact O-CG 3.26Å; T233-K237 PolarHBondContact O-N 3.07Å; E234-K237 PolarHBondContact O-N 3.14Å; E234-K237 IonicContact OE1-NZ 3.05Å; E234-K237 PolarHBondContact OE1-NZ 3.23Å; K235-K237 VanDerWaalsContact C-N 3.32Å; K235-K237 PolarHBondContact O-N 2.82Å; K237-A240 PolarHBondContact O-N 3.15Å; K237-G241 PolarHBondContact O-N 3.2Å; K237-K242 HydrophobicContact CB-CB 4.28Å; K237-K242 PolarHBondContact O-N 3.26Å
238M81.4Confident81.3Confident72 Ų7262 Ų6236%0.35534%0.341SS..Hα-helixtrans-60.2-48.8176.4179.6-170.472.700111.4E234 K235 A240 G241 Y244 L251E234-M238 WeakPolarHBondContact O-CB 3.34Å; E234-M238 PolarHBondContact O-N 2.89Å; K235-M238 WeakPolarHBondContact O-CB 3.43Å; K235-M238 PolarHBondContact O-N 2.65Å; M238-A240 VanDerWaalsContact C-N 3.3Å; M238-A240 PolarHBondContact O-N 2.81Å; M238-G241 PolarHBondContact O-N 3.18Å; M238-G241 VanDerWaalsContact O-N 3.1Å; M238-Y244 HydrophobicContact CB-CD1 3.85Å; M238-Y244 HydrophobicContact CB-CD2 4.02Å; M238-Y244 HydrophobicContact CB-CE1 4Å; M238-Y244 HydrophobicContact CB-CE2 4.14Å; M238-Y244 HydrophobicContact CB-CG 3.88Å; M238-Y244 HydrophobicContact CG-CD1 4.2Å; M238-Y244 HydrophobicContact CG-CD2 4.43Å; M238-Y244 HydrophobicContact CG-CE1 3.8Å; M238-Y244 HydrophobicContact CG-CE2 4.03Å; M238-Y244 HydrophobicContact SD-CE2 4.2Å; M238-L251 HydrophobicContact CE-CD2 3.78Å; M238-L251 HydrophobicContact SD-CD1 4.38Å; M238-L251 HydrophobicContact SD-CD2 3.81Å
239I79.1Confident80.5Confident108 Ų10866.3 Ų66.355%0.55437%0.369SS*.Hα-helixtrans-62.6-38.5179.5-68.1166.1000110.9K235 E236 G241K235-I239 HydrophobicContact CG-CD1 4Å; K235-I239 VanDerWaalsContact O-CG1 3.31Å; K235-I239 WeakPolarHBondContact O-CG1 3.21Å; K235-I239 PolarHBondContact O-N 3.12Å; E236-I239 PolarHBondContact O-N 2.9Å; I239-G241 PolarHBondContact O-N 3.13Å
240A77.6Confident79.8Confident65 Ų6570.3 Ų70.354%0.53739%0.387SS..THydrogen-bonded Turntrans-77.40.3177.500000114.3E236 K237 M238 K242E236-A240 WeakPolarHBondContact O-CB 3.25Å; E236-A240 PolarHBondContact O-N 3.35Å; K237-A240 PolarHBondContact O-N 3.15Å; M238-A240 VanDerWaalsContact C-N 3.3Å; M238-A240 PolarHBondContact O-N 2.81Å; A240-K242 VanDerWaalsContact C-N 3.28Å; A240-K242 HydrophobicContact CB-CD 4.42Å; A240-K242 HydrophobicContact CB-CG 4.33Å; A240-K242 PolarHBondContact O-N 3.44Å
241G75.1Confident79.3Confident73 Ų7365.7 Ų65.775%0.75337%0.366SS*.THydrogen-bonded Turntrans68.921.4-178.600000114.5K237 M238 I239K237-G241 PolarHBondContact O-N 3.2Å; M238-G241 PolarHBondContact O-N 3.18Å; M238-G241 VanDerWaalsContact O-N 3.1Å; I239-G241 PolarHBondContact O-N 3.13Å
242K74.1Confident78.8Confident104 Ų10464.6 Ų64.645%0.45237%0.366SS..  trans-87.4164.4175.6-66.5177.9176.9173.80110.4K237 A240 Y244K237-K242 HydrophobicContact CB-CB 4.28Å; K237-K242 PolarHBondContact O-N 3.26Å; A240-K242 VanDerWaalsContact C-N 3.28Å; A240-K242 HydrophobicContact CB-CD 4.42Å; A240-K242 HydrophobicContact CB-CG 4.33Å; A240-K242 PolarHBondContact O-N 3.44Å; K242-Y244 WeakPolarHBondContact O-CD1 3.27Å; K242-Y244 PolarHBondContact O-N 3.41Å
243L72.2Confident78.3Confident172 Ų17267.1 Ų67.190%0.90139%0.387SS*.  trans-61.8130.6169.9-70.8168.1000109.5
244Y80.9Confident77.8Confident99 Ų9968.8 Ų68.839%0.38840%0.395SS..  trans-138.7158.9-178.669.4-83000110.3E234 M238 K242 A246 L251E234-Y244 WeakPolarHBondContact OE2-CA 3.31Å; E234-Y244 WeakPolarHBondContact OE2-CB 3.45Å; M238-Y244 HydrophobicContact CB-CD1 3.85Å; M238-Y244 HydrophobicContact CB-CD2 4.02Å; M238-Y244 HydrophobicContact CB-CE1 4Å; M238-Y244 HydrophobicContact CB-CE2 4.14Å; M238-Y244 HydrophobicContact CB-CG 3.88Å; M238-Y244 HydrophobicContact CG-CD1 4.2Å; M238-Y244 HydrophobicContact CG-CD2 4.43Å; M238-Y244 HydrophobicContact CG-CE1 3.8Å; M238-Y244 HydrophobicContact CG-CE2 4.03Å; M238-Y244 HydrophobicContact SD-CE2 4.2Å; K242-Y244 WeakPolarHBondContact O-CD1 3.27Å; K242-Y244 PolarHBondContact O-N 3.41Å; Y244-A246 HydrophobicContact CE2-CB 3.95Å; Y244-A246 PolarHBondContact O-N 3.09Å; Y244-L251 HydrophobicContact CD2-CD1 3.47Å; Y244-L251 VanDerWaalsContact CD2-CD1 3.47Å; Y244-L251 HydrophobicContact CE2-CD1 3.7Å
245F73.9Confident77.7Confident102 Ų10273.9 Ų73.945%0.44741%0.414SS..  trans-8499.7175.6179.9-119.9000110.3E234 G247 D248E234-F245 HydrophobicContact CG-CB 4.33Å; E234-F245 PolarHBondContact OE2-N 3.3Å; F245-G247 WeakPolarHBondContact CE1-O 3.21Å; F245-G247 PolarHBondContact O-N 2.87Å; F245-G247 VanDerWaalsContact O-N 3.09Å; F245-D248 HydrophobicContact CD1-CB 4.17Å; F245-D248 VanDerWaalsContact CD1-N 3.27Å; F245-D248 VanDerWaalsContact O-CB 3.22Å; F245-D248 WeakPolarHBondContact O-CB 3.43Å; F245-D248 PolarHBondContact O-N 3.41Å
246A72.8Confident77.3Confident49 Ų4980 Ų8041%0.40544%0.435SS..THydrogen-bonded Turntrans-62.2-19.8-178.100000114.6Y244 D248 R255Y244-A246 HydrophobicContact CE2-CB 3.95Å; Y244-A246 PolarHBondContact O-N 3.09Å; A246-D248 PolarHBondContact O-N 2.97Å; A246-R255 PolarHBondContact O-NH1 3.42Å; A246-R255 PolarHBondContact O-NH2 3.23Å
247G75.7Confident76.8Confident39 Ų3979.2 Ų79.240%0.40243%0.433SS..THydrogen-bonded Turntrans-81.34.6174.100000114.4F245F245-G247 WeakPolarHBondContact CE1-O 3.21Å; F245-G247 PolarHBondContact O-N 2.87Å; F245-G247 VanDerWaalsContact O-N 3.09Å
248D78.3Confident76.2Confident18 Ų1880.3 Ų80.310%0.09645%0.448CS..  trans-55.6132.4175.7176.475000111.4E234 F245 A246 E250 L251 V252E234-D248 HydrophobicContact CB-CB 3.91Å; E234-D248 HydrophobicContact CG-CB 4.06Å; F245-D248 HydrophobicContact CD1-CB 4.17Å; F245-D248 VanDerWaalsContact CD1-N 3.27Å; F245-D248 VanDerWaalsContact O-CB 3.22Å; F245-D248 WeakPolarHBondContact O-CB 3.43Å; F245-D248 PolarHBondContact O-N 3.41Å; A246-D248 PolarHBondContact O-N 2.97Å; D248-E250 VanDerWaalsContact C-N 3.32Å; D248-E250 PolarHBondContact O-N 2.86Å; D248-E250 WeakPolarHBondContact OD2-CA 3.35Å; D248-E250 VanDerWaalsContact OD2-CB 3.28Å; D248-E250 WeakPolarHBondContact OD2-CB 3.25Å; D248-E250 PolarHBondContact OD2-N 2.58Å; D248-L251 HydrophobicContact CB-CB 4.23Å; D248-L251 HydrophobicContact CB-CD1 4.12Å; D248-L251 HydrophobicContact CB-CG 4.16Å; D248-L251 PolarHBondContact O-N 3.39Å; D248-L251 PolarHBondContact OD2-N 2.82Å; D248-V252 VanDerWaalsContact O-CG2 3.29Å; D248-V252 WeakPolarHBondContact O-CG2 3.35Å; D248-V252 PolarHBondContact O-N 3.47Å
249P75.9Confident75.4Confident90 Ų9085 Ų8558%0.58446%0.462SS*.Hα-helixtrans-58.1-36.8-176.4-27.235.6000114.8V252 A253P249-V252 PolarHBondContact O-N 3.32Å; P249-A253 WeakPolarHBondContact O-CB 3.23Å; P249-A253 PolarHBondContact O-N 3.31Å
250E80.5Confident74.6Confident84 Ų8484.8 Ų84.839%0.39346%0.461SS..Hα-helixtrans-66-47.8177.3-172.4-172.5166.900109.6K235 D248 V252 A253 D254K235-E250 WeakPolarHBondContact CD-OE1 3.32Å; K235-E250 IonicContact NZ-OE1 2.66Å; K235-E250 PolarHBondContact NZ-OE1 3.19Å; D248-E250 VanDerWaalsContact C-N 3.32Å; D248-E250 PolarHBondContact O-N 2.86Å; D248-E250 WeakPolarHBondContact OD2-CA 3.35Å; D248-E250 VanDerWaalsContact OD2-CB 3.28Å; D248-E250 WeakPolarHBondContact OD2-CB 3.25Å; D248-E250 PolarHBondContact OD2-N 2.58Å; E250-V252 VanDerWaalsContact C-N 3.3Å; E250-V252 PolarHBondContact O-N 3.41Å; E250-A253 PolarHBondContact O-N 2.83Å; E250-A253 VanDerWaalsContact O-N 3.13Å; E250-D254 PolarHBondContact O-N 3.45Å
251L79.5Confident73.6Confident4 Ų490.9 Ų90.92%0.02147%0.47CS..Hα-helixtrans-63.7-34.1177.8-65.7-177.4000112.9E234 K235 M238 Y244 D248 R255E234-L251 HydrophobicContact CB-CD1 4.16Å; K235-L251 HydrophobicContact CB-CD2 3.99Å; K235-L251 HydrophobicContact CG-CD2 4.17Å; M238-L251 HydrophobicContact CE-CD2 3.78Å; M238-L251 HydrophobicContact SD-CD1 4.38Å; M238-L251 HydrophobicContact SD-CD2 3.81Å; Y244-L251 HydrophobicContact CD2-CD1 3.47Å; Y244-L251 VanDerWaalsContact CD2-CD1 3.47Å; Y244-L251 HydrophobicContact CE2-CD1 3.7Å; D248-L251 HydrophobicContact CB-CB 4.23Å; D248-L251 HydrophobicContact CB-CD1 4.12Å; D248-L251 HydrophobicContact CB-CG 4.16Å; D248-L251 PolarHBondContact O-N 3.39Å; D248-L251 PolarHBondContact OD2-N 2.82Å; L251-R255 VanDerWaalsContact O-CG 3.28Å; L251-R255 WeakPolarHBondContact O-CG 3.41Å; L251-R255 PolarHBondContact O-N 3.13Å; L251-R255 VanDerWaalsContact O-N 3.15Å; L251-R255 PolarHBondContact O-NH1 3.42Å
252V78.4Confident72.8Confident66 Ų6693.4 Ų93.440%0.447%0.466SS..Hα-helixtrans-66.8-43.5173.4172.30000110.7D248 P249 E250 R255 R256D248-V252 VanDerWaalsContact O-CG2 3.29Å; D248-V252 WeakPolarHBondContact O-CG2 3.35Å; D248-V252 PolarHBondContact O-N 3.47Å; P249-V252 PolarHBondContact O-N 3.32Å; E250-V252 VanDerWaalsContact C-N 3.3Å; E250-V252 PolarHBondContact O-N 3.41Å; V252-R255 PolarHBondContact O-N 3.02Å; V252-R256 PolarHBondContact O-N 2.89Å
253A78Confident71.9Confident53 Ų5392 Ų9244%0.43846%0.46SS..Hα-helixtrans-64.4-46.9178.300000111.6P249 E250 R255 R256 D257P249-A253 WeakPolarHBondContact O-CB 3.23Å; P249-A253 PolarHBondContact O-N 3.31Å; E250-A253 PolarHBondContact O-N 2.83Å; E250-A253 VanDerWaalsContact O-N 3.13Å; A253-R255 VanDerWaalsContact C-N 3.31Å; A253-R255 PolarHBondContact O-N 3.46Å; A253-R256 WeakPolarHBondContact O-CA 3.48Å; A253-R256 WeakPolarHBondContact O-CB 3.45Å; A253-R256 PolarHBondContact O-N 2.92Å; A253-D257 PolarHBondContact O-N 3.4Å
254D75.9Confident71.7Confident66 Ų6687.9 Ų87.935%0.35344%0.439SS..Hα-helixtrans-58.5-42176.6-79.7-2.8000111.5K235 E250 R256 D257 A258K235-D254 WeakPolarHBondContact CE-OD2 3.26Å; K235-D254 IonicContact NZ-OD2 3.85Å; K235-D254 PolarHBondContact NZ-OD2 3.36Å; E250-D254 PolarHBondContact O-N 3.45Å; D254-R256 VanDerWaalsContact C-N 3.34Å; D254-R256 PolarHBondContact O-N 2.84Å; D254-D257 PolarHBondContact O-N 3.48Å; D254-A258 VanDerWaalsContact O-CB 3.31Å; D254-A258 WeakPolarHBondContact O-CB 3.16Å; D254-A258 PolarHBondContact O-N 3.1Å
255R78.8Confident71.5Confident122 Ų12284.4 Ų84.446%0.4643%0.428SS..Hα-helixtrans-64.7-37.8174.6-74.7-171.4-54-96.89.9112.6A246 L251 V252 A253 R259A246-R255 PolarHBondContact O-NH1 3.42Å; A246-R255 PolarHBondContact O-NH2 3.23Å; L251-R255 VanDerWaalsContact O-CG 3.28Å; L251-R255 WeakPolarHBondContact O-CG 3.41Å; L251-R255 PolarHBondContact O-N 3.13Å; L251-R255 VanDerWaalsContact O-N 3.15Å; L251-R255 PolarHBondContact O-NH1 3.42Å; V252-R255 PolarHBondContact O-N 3.02Å; A253-R255 VanDerWaalsContact C-N 3.31Å; A253-R255 PolarHBondContact O-N 3.46Å; R255-R259 WeakPolarHBondContact O-CB 3.46Å; R255-R259 PolarHBondContact O-N 3.16Å
256R72.8Confident72Confident185 Ų18583.8 Ų83.870%0.69844%0.435SS*.Hα-helixtrans-68-43.5177.3-173-178.8179.2-179.6-0.8110.9V252 A253 D254 R259 L260V252-R256 PolarHBondContact O-N 2.89Å; A253-R256 WeakPolarHBondContact O-CA 3.48Å; A253-R256 WeakPolarHBondContact O-CB 3.45Å; A253-R256 PolarHBondContact O-N 2.92Å; D254-R256 VanDerWaalsContact C-N 3.34Å; D254-R256 PolarHBondContact O-N 2.84Å; R256-R259 WeakPolarHBondContact O-CB 3.42Å; R256-R259 PolarHBondContact O-N 2.91Å; R256-L260 HydrophobicContact CG-CD1 4.21Å; R256-L260 PolarHBondContact O-N 2.98Å
257D73.4Confident72.7Confident64 Ų6483.8 Ų83.834%0.34243%0.428SS..Hα-helixtrans-63.6-47.4176.7-173.349.9000111.2A253 D254 R259 L260 R261A253-D257 PolarHBondContact O-N 3.4Å; D254-D257 PolarHBondContact O-N 3.48Å; D257-R259 VanDerWaalsContact C-N 3.25Å; D257-R259 PolarHBondContact O-N 3.06Å; D257-L260 WeakPolarHBondContact O-CB 3.37Å; D257-L260 PolarHBondContact O-N 2.8Å; D257-R261 WeakPolarHBondContact O-CG 3.23Å; D257-R261 PolarHBondContact O-N 3.4Å; D257-R261 IonicContact OD1-NE 3.74Å; D257-R261 PolarHBondContact OD1-NE 2.59Å; D257-R261 IonicContact OD1-NH2 3.91Å; D257-R261 IonicContact OD2-CZ 2.74Å; D257-R261 IonicContact OD2-NE 3.1Å; D257-R261 PolarHBondContact OD2-NE 3.05Å; D257-R261 IonicContact OD2-NH2 3.86Å; D257-R261 PolarHBondContact OD2-NH2 3.41Å
258A65.2Low73.4Confident52 Ų5285.7 Ų85.743%0.4343%0.431SS..Hα-helixtrans-56.1-41.5173.600000111.7D254 L260 R261 L262D254-A258 VanDerWaalsContact O-CB 3.31Å; D254-A258 WeakPolarHBondContact O-CB 3.16Å; D254-A258 PolarHBondContact O-N 3.1Å; A258-L260 PolarHBondContact O-N 3.14Å; A258-R261 PolarHBondContact O-N 3.32Å; A258-L262 VanDerWaalsContact O-CG 3.28Å; A258-L262 WeakPolarHBondContact O-CG 3.42Å; A258-L262 PolarHBondContact O-N 2.97Å
259R64.9Low74.1Confident171 Ų17188.9 Ų88.965%0.64545%0.447SS*.Hα-helixtrans-65.1-36.1176.7-168.5173.8-177.9177.30.2113R255 R256 D257R255-R259 WeakPolarHBondContact O-CB 3.46Å; R255-R259 PolarHBondContact O-N 3.16Å; R256-R259 WeakPolarHBondContact O-CB 3.42Å; R256-R259 PolarHBondContact O-N 2.91Å; D257-R259 VanDerWaalsContact C-N 3.25Å; D257-R259 PolarHBondContact O-N 3.06Å
260L61.6Low74.8Confident102 Ų10285.5 Ų85.553%0.53443%0.429SS..Hα-helixtrans-71.4-41.3175.3-82153.8000112R256 D257 A258 L262 H263R256-L260 HydrophobicContact CG-CD1 4.21Å; R256-L260 PolarHBondContact O-N 2.98Å; D257-L260 WeakPolarHBondContact O-CB 3.37Å; D257-L260 PolarHBondContact O-N 2.8Å; A258-L260 PolarHBondContact O-N 3.14Å; L260-L262 VanDerWaalsContact C-N 3.25Å; L260-L262 PolarHBondContact O-N 2.83Å; L260-H263 PolarHBondContact O-CD2 3.1Å; L260-H263 PolarHBondContact O-N 3.28Å
261R58.3Low75.2Confident193 Ų19387.1 Ų87.173%0.72844%0.44SS*.Hα-helixtrans-68.3-20.8-179.5-69.7-173.3-166.5-144.39.1114.1D257 A258 H263D257-R261 WeakPolarHBondContact O-CG 3.23Å; D257-R261 PolarHBondContact O-N 3.4Å; D257-R261 IonicContact OD1-NE 3.74Å; D257-R261 PolarHBondContact OD1-NE 2.59Å; D257-R261 IonicContact OD1-NH2 3.91Å; D257-R261 IonicContact OD2-CZ 2.74Å; D257-R261 IonicContact OD2-NE 3.1Å; D257-R261 PolarHBondContact OD2-NE 3.05Å; D257-R261 IonicContact OD2-NH2 3.86Å; D257-R261 PolarHBondContact OD2-NH2 3.41Å; A258-R261 PolarHBondContact O-N 3.32Å; R261-H263 PolarHBondContact O-N 2.94Å
262L57.7Low75.7Confident126 Ų12693 Ų9366%0.6647%0.472SS*.THydrogen-bonded Turntrans-70-1.9176-72.7165.4000113.8A258 L260 I264A258-L262 VanDerWaalsContact O-CG 3.28Å; A258-L262 WeakPolarHBondContact O-CG 3.42Å; A258-L262 PolarHBondContact O-N 2.97Å; L260-L262 VanDerWaalsContact C-N 3.25Å; L260-L262 PolarHBondContact O-N 2.83Å; L262-I264 PolarHBondContact O-N 3.25Å
263H55.3Low76.4Confident74 Ų7491.2 Ų91.234%0.34346%0.462SS..  trans-78.198.4172.4-68.2-60.2000111.6L260 R261 C265 L281 T283L260-H263 PolarHBondContact O-CD2 3.1Å; L260-H263 PolarHBondContact O-N 3.28Å; R261-H263 PolarHBondContact O-N 2.94Å; H263-C265 VanDerWaalsContact C-N 3.26Å; H263-C265 PolarHBondContact O-N 3.15Å; H263-L281 PolarHBondContact CE1-O 2.89Å; H263-L281 VanDerWaalsContact CE1-O 3.31Å; H263-T283 PolarHBondContact ND1-OG1 2.66Å
264I66.7Low77Confident86 Ų8694.4 Ų94.444%0.44147%0.469SS..  trans-62.3-31.9-179.8-58.5170.8000112.5L262 A284 E298L262-I264 PolarHBondContact O-N 3.25Å; I264-A284 HydrophobicContact CD1-CB 3.74Å; I264-A284 HydrophobicContact CG1-CB 4.25Å; I264-E298 HydrophobicContact CD1-CB 4.11Å
265C78.5Confident77.8Confident26 Ų2695.4 Ų95.418%0.17647%0.471CS..SBendtrans-124152.5-177.8-64.70000111.1H263 T283 G300 P302H263-C265 VanDerWaalsContact C-N 3.26Å; H263-C265 PolarHBondContact O-N 3.15Å; C265-T283 HydrophobicContact CB-CG2 4.49Å; C265-T283 WeakPolarHBondContact O-CG2 3.41Å; C265-T283 PolarHBondContact O-OG1 2.99Å; C265-G300 VanDerWaalsContact SG-CA 3.53Å; C265-P302 HydrophobicContact CB-CB 4.27Å
266P83.7Confident78.4Confident89 Ų8990.3 Ų90.358%0.57846%0.457SS*.  trans-63.8150.1-178.325.8-34.2000112.2P302 I303P266-P302 HydrophobicContact CG-CB 4.16Å; P266-P302 WeakPolarHBondContact O-CA 3.44Å; P266-P302 WeakPolarHBondContact O-CB 3.4Å; P266-I303 PolarHBondContact O-N 3.15Å
267I88.6Confident78.9Confident50 Ų5086.7 Ų86.726%0.25646%0.457SS..EExtended strand (participates in β ladder)trans-113.6114.8167.4-60.6173.4000106.3I269 L281 T283 I303I267-I269 HydrophobicContact CG2-CD1 4.3Å; I267-I269 HydrophobicContact CG2-CG1 4.05Å; I267-L281 HydrophobicContact CD1-CB 3.83Å; I267-L281 HydrophobicContact CD1-CD1 4.29Å; I267-L281 HydrophobicContact CG2-CD1 3.7Å; I267-T283 HydrophobicContact CD1-CG2 4.03Å; I267-T283 HydrophobicContact CG1-CG2 3.49Å; I267-T283 VanDerWaalsContact CG1-CG2 3.49Å; I267-I303 WeakPolarHBondContact CA-O 3.34Å; I267-I303 HydrophobicContact CG1-CB 4.45Å; I267-I303 HydrophobicContact CG2-CB 4.49Å; I267-I303 HydrophobicContact CG2-CG2 4.46Å
268T90.1Very high79.8Confident79 Ų7988.6 Ų88.649%0.48547%0.467SS..EExtended strand (participates in β ladder)trans-99130176.8-52.60000108.9I303 T304 I305T268-I303 PolarHBondContact N-O 2.87Å; T268-T304 CarbonylContact O-C 3.6Å; T268-I305 PolarHBondContact O-N 3.34Å
269I91.9Very high81.1Confident84 Ų8487.6 Ų87.643%0.43146%0.456SS..EExtended strand (participates in β ladder)trans-126.3124.7-179.8-56173.7000108.1I267 C273 F275 I305I267-I269 HydrophobicContact CG2-CD1 4.3Å; I267-I269 HydrophobicContact CG2-CG1 4.05Å; I269-C273 HydrophobicContact CG2-CB 3.88Å; I269-F275 HydrophobicContact CD1-CE2 4.28Å; I269-F275 HydrophobicContact CD1-CZ 3.85Å; I269-F275 HydrophobicContact CG1-CZ 4.36Å; I269-F275 HydrophobicContact CG2-CE2 3.96Å; I269-F275 HydrophobicContact CG2-CZ 4.1Å; I269-I305 CarbonylContact C-O 3.59Å
270G90.7Very high82.5Confident19 Ų1981.5 Ų81.520%0.19643%0.434CS..  trans-76.4-179.717500000113.2C273 I305 G306 N307G270-C273 PolarHBondContact O-SG 2.9Å; G270-I305 PolarHBondContact N-O 2.72Å; G270-G306 WeakPolarHBondContact CA-O 3.23Å; G270-G306 PolarHBondContact N-O 2.72Å; G270-N307 WeakPolarHBondContact CA-OD1 3.28Å
271D88.5Confident84Confident118 Ų11877.9 Ų77.963%0.63142%0.416SS*.THydrogen-bonded Turntrans-74.5155.2-174.2-65.3-39.4000112.2C273 N307 N308D271-C273 PolarHBondContact O-N 3.5Å; D271-C273 VanDerWaalsContact O-N 3.13Å; D271-N307 PolarHBondContact N-OD1 3.48Å; D271-N307 CarbonylContact O-C 3.58Å; D271-N307 WeakPolarHBondContact O-CA 3.26Å; D271-N308 PolarHBondContact O-N 3.38Å
272N90.8Very high85.5Confident128 Ų12873.3 Ų73.368%0.68440%0.399SS*.THydrogen-bonded Turntrans56.826.9176.1-50-50.6000115.2N308N272-N308 WeakPolarHBondContact CB-OD1 3.35Å; N272-N308 PolarHBondContact ND2-OD1 2.67Å
273C92.5Very high87.1Confident29 Ų2967.3 Ų67.320%0.19637%0.368CS..  trans-74.3144.3173.7-68.30000112.1I269 G270 D271 F275 G306 V309I269-C273 HydrophobicContact CG2-CB 3.88Å; G270-C273 PolarHBondContact O-SG 2.9Å; D271-C273 PolarHBondContact O-N 3.5Å; D271-C273 VanDerWaalsContact O-N 3.13Å; C273-F275 HydrophobicContact CB-CD2 4.35Å; C273-F275 HydrophobicContact CB-CE2 3.69Å; C273-G306 PolarHBondContact SG-O 3.01Å; C273-V309 CarbonylContact C-O 3.53Å; C273-V309 VanDerWaalsContact CA-O 3.23Å; C273-V309 WeakPolarHBondContact CA-O 3.3Å
274M90.5Very high88.5Confident120 Ų12065.7 Ų65.759%0.59137%0.367SS*.EExtended strand (participates in β ladder)trans-117.5127.1175.3-66.8-178.16700110.6V309 W310 I311M274-V309 PolarHBondContact N-O 2.85Å; M274-W310 HydrophobicContact CB-CB 4.33Å; M274-W310 HydrophobicContact CB-CG 4.22Å; M274-I311 PolarHBondContact O-N 3.34Å
275F94.2Very high89.5Confident86 Ų8663.8 Ų63.838%0.37736%0.361SS..EExtended strand (participates in β ladder)trans-113.4119.6178.5-70.9-101.1000110.4I269 C273 V279 L281 I311I269-F275 HydrophobicContact CD1-CE2 4.28Å; I269-F275 HydrophobicContact CD1-CZ 3.85Å; I269-F275 HydrophobicContact CG1-CZ 4.36Å; I269-F275 HydrophobicContact CG2-CE2 3.96Å; I269-F275 HydrophobicContact CG2-CZ 4.1Å; C273-F275 HydrophobicContact CB-CD2 4.35Å; C273-F275 HydrophobicContact CB-CE2 3.69Å; F275-V279 HydrophobicContact CD1-CB 4.23Å; F275-V279 HydrophobicContact CD1-CG1 3.84Å; F275-V279 HydrophobicContact CE1-CG1 4.29Å; F275-L281 HydrophobicContact CE1-CD1 4.11Å; F275-I311 HydrophobicContact CD1-CB 4.47Å; F275-I311 HydrophobicContact CD1-CD1 4.17Å; F275-I311 HydrophobicContact CE1-CD1 3.63Å; F275-I311 HydrophobicContact CE1-CG1 4.36Å; F275-I311 HydrophobicContact CZ-CD1 4.13Å
276G90.3Very high90Very high16 Ų1666.4 Ų66.417%0.16537%0.371CS..  trans-67.3166.317000000111.9V279 I311G276-V279 VanDerWaalsContact O-CG2 3.32Å; G276-V279 WeakPolarHBondContact O-CG2 3.35Å; G276-I311 WeakPolarHBondContact CA-O 3.44Å; G276-I311 PolarHBondContact N-O 2.94Å
277P84.1Confident90.1Very high108 Ų10862.7 Ų62.770%0.70135%0.347SS*.THydrogen-bonded Turntrans-62.1141.717926.5-34.4000111V279 G313 S314P277-V279 VanDerWaalsContact C-N 3.29Å; P277-V279 PolarHBondContact O-N 2.72Å; P277-G313 CarbonylContact O-C 3.52Å; P277-G313 WeakPolarHBondContact O-CA 3.35Å; P277-S314 PolarHBondContact O-N 2.87Å
278N91Very high90.3Very high104 Ų10467.6 Ų67.656%0.55637%0.373SS*.THydrogen-bonded Turntrans63.623.6174.6-164.745.3000115.8Q280 S314N278-Q280 PolarHBondContact O-NE2 2.82Å; N278-S314 PolarHBondContact ND2-OG 3.28Å; N278-S314 WeakPolarHBondContact O-CA 3.38Å
279V94Very high90.4Very high32 Ų3268.3 Ų68.319%0.19437%0.37CS..  trans-62140.4168171.20000110.4F275 G276 P277 L281 I311 G312 A315F275-V279 HydrophobicContact CD1-CB 4.23Å; F275-V279 HydrophobicContact CD1-CG1 3.84Å; F275-V279 HydrophobicContact CE1-CG1 4.29Å; G276-V279 VanDerWaalsContact O-CG2 3.32Å; G276-V279 WeakPolarHBondContact O-CG2 3.35Å; P277-V279 VanDerWaalsContact C-N 3.29Å; P277-V279 PolarHBondContact O-N 2.72Å; V279-L281 HydrophobicContact CG1-CD2 4.1Å; V279-L281 HydrophobicContact CG1-CG 4.48Å; V279-I311 HydrophobicContact CB-CG2 4.43Å; V279-I311 HydrophobicContact CG1-CG2 3.81Å; V279-I311 HydrophobicContact CG2-CB 4.2Å; V279-I311 HydrophobicContact CG2-CG2 3.65Å; V279-G312 WeakPolarHBondContact CG2-O 3.02Å; V279-A315 WeakPolarHBondContact CA-O 3.48Å
280Q93.8Very high90.3Very high42 Ų4268 Ų6820%0.19637%0.374CS..EExtended strand (participates in β ladder)trans-125.9124-177.4-66.4158.570.900110.2N278 Y282 A315 I316 V317N278-Q280 PolarHBondContact O-NE2 2.82Å; Q280-Y282 HydrophobicContact CB-CD2 4.41Å; Q280-Y282 HydrophobicContact CB-CE2 3.68Å; Q280-Y282 HydrophobicContact CG-CE2 4.42Å; Q280-Y282 PolarHBondContact OE1-OH 3.35Å; Q280-A315 PolarHBondContact N-O 3.28Å; Q280-I316 HydrophobicContact CB-CG1 4.28Å; Q280-I316 WeakPolarHBondContact O-CA 3.46Å; Q280-V317 PolarHBondContact O-N 3.31Å
281L93.1Very high90.2Very high27 Ų2769.9 Ų69.914%0.14139%0.394CS..EExtended strand (participates in β ladder)trans-114.7115.1176.3-53.5-179.5000108.2H263 I267 F275 V279 I303 V317H263-L281 PolarHBondContact CE1-O 2.89Å; H263-L281 VanDerWaalsContact CE1-O 3.31Å; I267-L281 HydrophobicContact CD1-CB 3.83Å; I267-L281 HydrophobicContact CD1-CD1 4.29Å; I267-L281 HydrophobicContact CG2-CD1 3.7Å; F275-L281 HydrophobicContact CE1-CD1 4.11Å; V279-L281 HydrophobicContact CG1-CD2 4.1Å; V279-L281 HydrophobicContact CG1-CG 4.48Å; L281-I303 HydrophobicContact CB-CD1 4.12Å; L281-V317 HydrophobicContact CD2-CB 3.6Å; L281-V317 HydrophobicContact CD2-CG1 4.47Å; L281-V317 HydrophobicContact CD2-CG2 3.54Å
282Y90.6Very high89.9Confident96 Ų9669 Ų6938%0.37638%0.384SS..  trans-110.2118.5-177.4-66-60.6000110.3Q280 I303 I316 V317 T318 P319Q280-Y282 HydrophobicContact CB-CD2 4.41Å; Q280-Y282 HydrophobicContact CB-CE2 3.68Å; Q280-Y282 HydrophobicContact CG-CE2 4.42Å; Q280-Y282 PolarHBondContact OE1-OH 3.35Å; Y282-I303 VanDerWaalsContact O-CD1 3.25Å; Y282-I303 WeakPolarHBondContact O-CD1 3.43Å; Y282-I316 HydrophobicContact CD2-CG2 3.78Å; Y282-I316 HydrophobicContact CE2-CG2 3.85Å; Y282-V317 PolarHBondContact N-O 3.23Å; Y282-T318 CarbonylContact O-C 3.49Å; Y282-P319 WeakPolarHBondContact O-CA 3.46Å; Y282-P319 WeakPolarHBondContact O-CD 3.21Å; Y282-P319 WeakPolarHBondContact O-CG 3.48Å
283T89.4Confident89.9Confident1 Ų168 Ų681%0.00637%0.371CS..  trans-99.3-20.5174.850.80000113.1H263 C265 I267 G300 K301 I303 P319H263-T283 PolarHBondContact ND1-OG1 2.66Å; C265-T283 HydrophobicContact CB-CG2 4.49Å; C265-T283 WeakPolarHBondContact O-CG2 3.41Å; C265-T283 PolarHBondContact O-OG1 2.99Å; I267-T283 HydrophobicContact CD1-CG2 4.03Å; I267-T283 HydrophobicContact CG1-CG2 3.49Å; I267-T283 VanDerWaalsContact CG1-CG2 3.49Å; T283-G300 CarbonylContact O-C 3.26Å; T283-G300 WeakPolarHBondContact O-CA 3.32Å; T283-K301 WeakPolarHBondContact CB-O 3.25Å; T283-K301 PolarHBondContact O-N 3.15Å; T283-I303 HydrophobicContact CG2-CB 4.4Å; T283-I303 HydrophobicContact CG2-CD1 4.11Å; T283-I303 HydrophobicContact CG2-CG1 4.11Å; T283-P319 WeakPolarHBondContact O-CB 3.42Å
284A86.6Confident89.4Confident39 Ų3972.9 Ų72.932%0.32240%0.395SS..EExtended strand (participates in β ladder)trans-92.6151178.600000112.7I264 P319I264-A284 HydrophobicContact CD1-CB 3.74Å; I264-A284 HydrophobicContact CG1-CB 4.25Å; A284-P319 VanDerWaalsContact O-CG 3.32Å; A284-P319 WeakPolarHBondContact O-CG 3.47Å
285S86.6Confident89Confident47 Ų4771.3 Ų71.333%0.32940%0.396SS..EExtended strand (participates in β ladder)trans-153.4171.9173-164.20000111.5F299S285-F299 PolarHBondContact N-O 3.07Å; S285-F299 PolarHBondContact O-N 3.15Å; S285-F299 VanDerWaalsContact O-O 3.11Å
286H88.2Confident88Confident80 Ų8069.8 Ų69.837%0.3740%0.404SS..  trans-122.2154.3179-63.9-85.6000112.2R293 Q297 E298H286-R293 HydrophobicContact CB-CG 4.02Å; H286-Q297 PolarHBondContact ND1-O 2.92Å; H286-E298 WeakPolarHBondContact CE1-CG 3.37Å; H286-E298 IonicContact CE1-OE1 2.77Å; H286-E298 PolarHBondContact CE1-OE1 2.99Å
287P86.9Confident87.3Confident12 Ų1273.8 Ų73.88%0.07842%0.419CS..  trans-54.8144.4169.6-25.835.4000112.1E289 K292 R293 Q297 F299P287-E289 VanDerWaalsContact C-N 3.35Å; P287-K292 HydrophobicContact CB-CB 3.62Å; P287-K292 HydrophobicContact CB-CD 4.2Å; P287-K292 HydrophobicContact CG-CB 3.88Å; P287-R293 PolarHBondContact O-NH1 3.18Å; P287-Q297 WeakPolarHBondContact CD-O 3.39Å; P287-Q297 HydrophobicContact CG-CB 4.23Å; P287-Q297 HydrophobicContact CG-CG 4.29Å; P287-F299 HydrophobicContact CG-CD1 4.46Å; P287-F299 HydrophobicContact CG-CE1 4.39Å
288L92.1Very high86.9Confident153 Ų15374 Ų7480%0.80141%0.411SS*.SBendtrans-74.5-32.8178.2-66.5177.7000110.9P290 R293L288-P290 WeakPolarHBondContact O-CD 3.31Å; L288-R293 PolarHBondContact O-NH1 2.88Å
289E91.7Very high86.5Confident93 Ų9373.2 Ų73.244%0.43540%0.402SS..SBendtrans-67.2120.6179.5-52.698.5123.800110.7P287 G291 K292 R293P287-E289 VanDerWaalsContact C-N 3.35Å; E289-G291 VanDerWaalsContact C-N 3.29Å; E289-G291 PolarHBondContact O-N 3.33Å; E289-K292 HydrophobicContact CB-CD 4.43Å; E289-K292 HydrophobicContact CB-CG 4.49Å; E289-K292 PolarHBondContact O-N 2.86Å; E289-K292 VanDerWaalsContact O-N 3.15Å; E289-K292 IonicContact OE1-NZ 3.85Å; E289-K292 PolarHBondContact OE1-NZ 3.23Å; E289-R293 PolarHBondContact O-N 3.08Å
290P90.6Very high86Confident78 Ų7872.8 Ų72.851%0.50640%0.404SS..Hα-helixtrans-55.2-39.4-174.2-28.234.6000114.2L288 K292 R293 N294L288-P290 WeakPolarHBondContact O-CD 3.31Å; P290-K292 PolarHBondContact O-N 3.36Å; P290-R293 PolarHBondContact O-N 3.09Å; P290-N294 VanDerWaalsContact O-CB 3.25Å; P290-N294 WeakPolarHBondContact O-CB 3.47Å; P290-N294 PolarHBondContact O-N 3.41Å; P290-N294 PolarHBondContact O-ND2 3.16Å; P290-N294 PolarHBondContact O-OD1 3.37Å
291G89.6Confident85.8Confident59 Ų5976.2 Ų76.261%0.60842%0.418SS*.Hα-helixtrans-61.1-44.2179.900000113.1E289 S295E289-G291 VanDerWaalsContact C-N 3.29Å; E289-G291 PolarHBondContact O-N 3.33Å; G291-S295 PolarHBondContact O-N 3.01Å
292K82Confident85.7Confident99 Ų9978 Ų7843%0.4343%0.431SS..Hα-helixtrans-71.1-39.1177.1-66.4-179.6-176.9165.80111.9P287 E289 P290 S295 Q297P287-K292 HydrophobicContact CB-CB 3.62Å; P287-K292 HydrophobicContact CB-CD 4.2Å; P287-K292 HydrophobicContact CG-CB 3.88Å; E289-K292 HydrophobicContact CB-CD 4.43Å; E289-K292 HydrophobicContact CB-CG 4.49Å; E289-K292 PolarHBondContact O-N 2.86Å; E289-K292 VanDerWaalsContact O-N 3.15Å; E289-K292 IonicContact OE1-NZ 3.85Å; E289-K292 PolarHBondContact OE1-NZ 3.23Å; P290-K292 PolarHBondContact O-N 3.36Å; K292-S295 PolarHBondContact O-N 2.65Å; K292-S295 PolarHBondContact O-OG 2.96Å; K292-Q297 WeakPolarHBondContact O-CB 3.39Å
293R89.9Confident85.9Confident106 Ų10673.4 Ų73.440%0.441%0.413SS..Hα-helixtrans-63.6-42.6175.7-175.6168.962.9-120.42.5111.7H286 P287 L288 E289 P290 S295 G296H286-R293 HydrophobicContact CB-CG 4.02Å; P287-R293 PolarHBondContact O-NH1 3.18Å; L288-R293 PolarHBondContact O-NH1 2.88Å; E289-R293 PolarHBondContact O-N 3.08Å; P290-R293 PolarHBondContact O-N 3.09Å; R293-S295 PolarHBondContact O-N 3.31Å; R293-G296 PolarHBondContact O-N 2.96Å; R293-G296 VanDerWaalsContact O-N 3.12Å
294N82Confident86.2Confident132 Ų13275.8 Ų75.871%0.70643%0.428SS*.Hα-helixtrans-70.3-15.7-179.8-68.5-5.8000113.2P290 G296P290-N294 VanDerWaalsContact O-CB 3.25Å; P290-N294 WeakPolarHBondContact O-CB 3.47Å; P290-N294 PolarHBondContact O-N 3.41Å; P290-N294 PolarHBondContact O-ND2 3.16Å; P290-N294 PolarHBondContact O-OD1 3.37Å; N294-G296 PolarHBondContact O-N 2.57Å
295S81.8Confident86.7Confident87 Ų8774 Ų7461%0.60841%0.413SS*.THydrogen-bonded Turntrans-78.6-0.8172.378.20000113.3G291 K292 R293 Q297G291-S295 PolarHBondContact O-N 3.01Å; K292-S295 PolarHBondContact O-N 2.65Å; K292-S295 PolarHBondContact O-OG 2.96Å; R293-S295 PolarHBondContact O-N 3.31Å; S295-Q297 VanDerWaalsContact C-N 3.31Å
296G74.6Confident87.2Confident54 Ų5472.3 Ų72.356%0.55740%0.403SS*.THydrogen-bonded Turntrans76.915.3-174.300000113.7R293 N294 E298R293-G296 PolarHBondContact O-N 2.96Å; R293-G296 VanDerWaalsContact O-N 3.12Å; N294-G296 PolarHBondContact O-N 2.57Å; G296-E298 PolarHBondContact O-N 3.03Å
297Q74.4Confident87.5Confident101 Ų10171.1 Ų71.147%0.47240%0.399SS..  trans-69.9127.2178.4-169.7174.226.400110.4H286 P287 K292 S295H286-Q297 PolarHBondContact ND1-O 2.92Å; P287-Q297 WeakPolarHBondContact CD-O 3.39Å; P287-Q297 HydrophobicContact CG-CB 4.23Å; P287-Q297 HydrophobicContact CG-CG 4.29Å; K292-Q297 WeakPolarHBondContact O-CB 3.39Å; S295-Q297 VanDerWaalsContact C-N 3.31Å
298E76.4Confident87.8Confident113 Ų11374 Ų7453%0.52841%0.414SS..  trans-122.3152.3177.4-72.1-179.5-171.300110.3I264 H286 G296I264-E298 HydrophobicContact CD1-CB 4.11Å; H286-E298 WeakPolarHBondContact CE1-CG 3.37Å; H286-E298 IonicContact CE1-OE1 2.77Å; H286-E298 PolarHBondContact CE1-OE1 2.99Å; G296-E298 PolarHBondContact O-N 3.03Å
299F82Confident88.1Confident87 Ų8766.8 Ų66.838%0.38238%0.376SS..EExtended strand (participates in β ladder)trans-141.4153.116863.1-93000110.2S285 P287S285-F299 PolarHBondContact N-O 3.07Å; S285-F299 PolarHBondContact O-N 3.15Å; S285-F299 VanDerWaalsContact O-O 3.11Å; P287-F299 HydrophobicContact CG-CD1 4.46Å; P287-F299 HydrophobicContact CG-CE1 4.39Å
300G83.5Confident88.4Confident22 Ų2268.7 Ų68.723%0.22738%0.38CS..EExtended strand (participates in β ladder)trans-120.5153.917700000112.5C265 T283C265-G300 VanDerWaalsContact SG-CA 3.53Å; T283-G300 CarbonylContact O-C 3.26Å; T283-G300 WeakPolarHBondContact O-CA 3.32Å
301K89.8Confident88.8Confident115 Ų11565 Ų6550%0.536%0.355SS..  trans-134.3136165.4-65.7-176.8179.7-178.90109T283 P319 G320T283-K301 WeakPolarHBondContact CB-O 3.25Å; T283-K301 PolarHBondContact O-N 3.15Å; K301-P319 HydrophobicContact CB-CB 3.99Å; K301-G320 VanDerWaalsContact CB-CA 3.48Å; K301-G320 VanDerWaalsContact CB-N 3.35Å; K301-G320 PolarHBondContact O-N 3.47Å
302P91.8Very high89.1Confident64 Ų6462.5 Ų62.542%0.41633%0.329SS..  trans-64.8158.1-177.328.9-35.7000111.6C265 P266 G320C265-P302 HydrophobicContact CB-CB 4.27Å; P266-P302 HydrophobicContact CG-CB 4.16Å; P266-P302 WeakPolarHBondContact O-CA 3.44Å; P266-P302 WeakPolarHBondContact O-CB 3.4Å; P302-G320 CarbonylContact O-C 3.59Å; P302-G320 WeakPolarHBondContact O-CA 3.45Å; P302-G320 PolarHBondContact O-N 2.91Å; P302-G320 VanDerWaalsContact O-N 3.07Å
303I94.3Very high89.7Confident0 Ų058.6 Ų58.60%032%0.318CS..EExtended strand (participates in β ladder)trans-114.2137.2168.9-71.5169.7000107.9P266 I267 T268 L281 Y282 T283 I305 V317 V321P266-I303 PolarHBondContact O-N 3.15Å; I267-I303 WeakPolarHBondContact CA-O 3.34Å; I267-I303 HydrophobicContact CG1-CB 4.45Å; I267-I303 HydrophobicContact CG2-CB 4.49Å; I267-I303 HydrophobicContact CG2-CG2 4.46Å; T268-I303 PolarHBondContact N-O 2.87Å; L281-I303 HydrophobicContact CB-CD1 4.12Å; Y282-I303 VanDerWaalsContact O-CD1 3.25Å; Y282-I303 WeakPolarHBondContact O-CD1 3.43Å; T283-I303 HydrophobicContact CG2-CB 4.4Å; T283-I303 HydrophobicContact CG2-CD1 4.11Å; T283-I303 HydrophobicContact CG2-CG1 4.11Å; I303-I305 HydrophobicContact CG2-CD1 3.79Å; I303-I305 HydrophobicContact CG2-CG1 4.13Å; I303-V317 HydrophobicContact CD1-CB 4.27Å; I303-V317 HydrophobicContact CD1-CG1 3.9Å; I303-V317 HydrophobicContact CG1-CG1 4.28Å; I303-V317 HydrophobicContact CG2-CG1 4.01Å; I303-V321 WeakPolarHBondContact CA-O 3.32Å
304T96.1Very high90Very high51 Ų5156.1 Ų56.131%0.31332%0.317SS..EExtended strand (participates in β ladder)trans-123.8125.5174.4-54.60000109T268 V321 T322 V323T268-T304 CarbonylContact O-C 3.6Å; T304-V321 PolarHBondContact N-O 3.33Å; T304-T322 HydrophobicContact CG2-CG2 4.32Å; T304-T322 CarbonylContact O-C 3.5Å; T304-T322 VanDerWaalsContact O-CA 3.3Å; T304-T322 WeakPolarHBondContact O-CA 3.41Å; T304-V323 PolarHBondContact O-N 3Å
305I97Very high90.7Very high2 Ų249.9 Ų49.91%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-113.9124173.7-51.1-59.4000107T268 I269 G270 I303 V309 I311 V323T268-I305 PolarHBondContact O-N 3.34Å; I269-I305 CarbonylContact C-O 3.59Å; G270-I305 PolarHBondContact N-O 2.72Å; I303-I305 HydrophobicContact CG2-CD1 3.79Å; I303-I305 HydrophobicContact CG2-CG1 4.13Å; I305-V309 HydrophobicContact CG2-CB 3.67Å; I305-V309 HydrophobicContact CG2-CG1 3.79Å; I305-V309 HydrophobicContact CG2-CG2 3.76Å; I305-I311 HydrophobicContact CD1-CD1 4.34Å; I305-V323 HydrophobicContact CD1-CB 3.97Å; I305-V323 HydrophobicContact CD1-CG2 3.72Å
306G95.9Very high91.5Very high11 Ų1147.9 Ų47.911%0.11327%0.265CS..  trans-69.6-164.2176.400000113.3G270 C273 V323 D325G270-G306 WeakPolarHBondContact CA-O 3.23Å; G270-G306 PolarHBondContact N-O 2.72Å; C273-G306 PolarHBondContact SG-O 3.01Å; G306-V323 PolarHBondContact N-O 3.04Å; G306-D325 WeakPolarHBondContact CA-OD1 3.43Å
307N94.6Very high92.5Very high54 Ų5445.3 Ų45.329%0.28924%0.239SC..THydrogen-bonded Turntrans-86.5153.3-179.7-52.9-59.6000111.7G270 D271 V309 D325 N326G270-N307 WeakPolarHBondContact CA-OD1 3.28Å; D271-N307 PolarHBondContact N-OD1 3.48Å; D271-N307 CarbonylContact O-C 3.58Å; D271-N307 WeakPolarHBondContact O-CA 3.26Å; N307-V309 PolarHBondContact O-N 3.41Å; N307-V309 VanDerWaalsContact O-N 3.11Å; N307-D325 PolarHBondContact N-OD1 3.37Å; N307-D325 PolarHBondContact ND2-OD2 3.33Å; N307-D325 VanDerWaalsContact ND2-OD2 3.08Å; N307-D325 CarbonylContact O-C 3.54Å; N307-D325 VanDerWaalsContact O-CA 3.32Å; N307-D325 WeakPolarHBondContact O-CA 3.37Å; N307-N326 PolarHBondContact O-N 2.92Å
308N94.9Very high93.5Very high74 Ų7442.2 Ų42.240%0.39623%0.227SC..THydrogen-bonded Turntrans57.526.3175.1-40.4-51.7000113.7D271 N272 N326D271-N308 PolarHBondContact O-N 3.38Å; N272-N308 WeakPolarHBondContact CB-OD1 3.35Å; N272-N308 PolarHBondContact ND2-OD1 2.67Å; N308-N326 WeakPolarHBondContact CB-OD1 3.31Å; N308-N326 PolarHBondContact ND2-OD1 2.91Å
309V97.5Very high94.3Very high1 Ų138.3 Ų38.31%0.00621%0.211CC..  trans-81.5131.8-179.4176.90000110C273 M274 I305 N307 I311 V323 G324 V327C273-V309 CarbonylContact C-O 3.53Å; C273-V309 VanDerWaalsContact CA-O 3.23Å; C273-V309 WeakPolarHBondContact CA-O 3.3Å; M274-V309 PolarHBondContact N-O 2.85Å; I305-V309 HydrophobicContact CG2-CB 3.67Å; I305-V309 HydrophobicContact CG2-CG1 3.79Å; I305-V309 HydrophobicContact CG2-CG2 3.76Å; N307-V309 PolarHBondContact O-N 3.41Å; N307-V309 VanDerWaalsContact O-N 3.11Å; V309-I311 HydrophobicContact CG1-CD1 4.4Å; V309-I311 HydrophobicContact CG1-CG1 3.85Å; V309-V323 HydrophobicContact CG1-CG1 3.97Å; V309-V323 HydrophobicContact CG2-CG1 4.05Å; V309-G324 VanDerWaalsContact CG2-O 3.24Å; V309-G324 WeakPolarHBondContact CG2-O 3.28Å; V309-V327 CarbonylContact C-O 3.57Å; V309-V327 VanDerWaalsContact CA-O 3.27Å; V309-V327 WeakPolarHBondContact CA-O 3.11Å; V309-V327 WeakPolarHBondContact CG1-O 3.43Å; V309-V327 HydrophobicContact CG2-CB 4.4Å
310W97.9Very high94.9Very high133 Ų13335.7 Ų35.750%0.50421%0.209SC..EExtended strand (participates in β ladder)trans-110.2116.2170.9176.628.1000111.1M274 V327 V328 I329M274-W310 HydrophobicContact CB-CB 4.33Å; M274-W310 HydrophobicContact CB-CG 4.22Å; W310-V327 PolarHBondContact N-O 3.1Å; W310-V328 HydrophobicContact CB-CG1 4.42Å; W310-V328 HydrophobicContact CB-CG2 4.35Å; W310-V328 HydrophobicContact CD2-CG1 4.15Å; W310-V328 HydrophobicContact CE3-CG1 3.61Å; W310-V328 HydrophobicContact CE3-CG2 4.29Å; W310-V328 HydrophobicContact CZ3-CG1 4.23Å; W310-V328 CarbonylContact O-C 3.54Å; W310-V328 WeakPolarHBondContact O-CA 3.12Å; W310-I329 PolarHBondContact O-N 3.01Å
311I98Very high95.6Very high0 Ų034.8 Ų34.80%020%0.199CC..EExtended strand (participates in β ladder)trans-102.8112.6176.5-46.9-167.5000109.7M274 F275 G276 V279 I305 V309 A315 I329M274-I311 PolarHBondContact O-N 3.34Å; F275-I311 HydrophobicContact CD1-CB 4.47Å; F275-I311 HydrophobicContact CD1-CD1 4.17Å; F275-I311 HydrophobicContact CE1-CD1 3.63Å; F275-I311 HydrophobicContact CE1-CG1 4.36Å; F275-I311 HydrophobicContact CZ-CD1 4.13Å; G276-I311 WeakPolarHBondContact CA-O 3.44Å; G276-I311 PolarHBondContact N-O 2.94Å; V279-I311 HydrophobicContact CB-CG2 4.43Å; V279-I311 HydrophobicContact CG1-CG2 3.81Å; V279-I311 HydrophobicContact CG2-CB 4.2Å; V279-I311 HydrophobicContact CG2-CG2 3.65Å; I305-I311 HydrophobicContact CD1-CD1 4.34Å; V309-I311 HydrophobicContact CG1-CD1 4.4Å; V309-I311 HydrophobicContact CG1-CG1 3.85Å; I311-A315 HydrophobicContact CG2-CB 3.63Å; I311-I329 HydrophobicContact CD1-CD1 4.03Å; I311-I329 HydrophobicContact CG1-CD1 3.99Å; I311-I329 HydrophobicContact CG2-CB 4.16Å; I311-I329 HydrophobicContact CG2-CD1 4.33Å; I311-I329 HydrophobicContact CG2-CG2 4.25Å
312G96.9Very high95.9Very high6 Ų632.5 Ų32.56%0.06219%0.194CC..  trans-62.6154.5176.900000112.7V279 A315 I329V279-G312 WeakPolarHBondContact CG2-O 3.02Å; G312-A315 WeakPolarHBondContact O-CB 3.46Å; G312-A315 PolarHBondContact O-N 2.8Å; G312-I329 WeakPolarHBondContact CA-O 3.18Å; G312-I329 PolarHBondContact N-O 2.9Å
313G94Very high96.2Very high18 Ų1829.5 Ų29.519%0.18618%0.175CC..THydrogen-bonded Turntrans-55.6144.2-176.100000113.4P277 A315 A331 G332P277-G313 CarbonylContact O-C 3.52Å; P277-G313 WeakPolarHBondContact O-CA 3.35Å; G313-A315 PolarHBondContact O-N 2.97Å; G313-A315 VanDerWaalsContact O-N 3.14Å; G313-A331 CarbonylContact O-C 3.6Å; G313-A331 VanDerWaalsContact O-CA 3.25Å; G313-A331 WeakPolarHBondContact O-CA 3.38Å; G313-A331 WeakPolarHBondContact O-CB 3.23Å; G313-G332 PolarHBondContact O-N 2.96Å
314S96Very high96.4Very high54 Ų5430 Ų3038%0.37818%0.18SC..THydrogen-bonded Turntrans59.415.1-178.7-56.30000116.1P277 N278P277-S314 PolarHBondContact O-N 2.87Å; N278-S314 PolarHBondContact ND2-OG 3.28Å; N278-S314 WeakPolarHBondContact O-CA 3.38Å
315A97.9Very high96.4Very high0 Ų030 Ų300%018%0.178CC..  trans-69.7149.7170.500000111.6V279 Q280 I311 G312 G313 I329 A333V279-A315 WeakPolarHBondContact CA-O 3.48Å; Q280-A315 PolarHBondContact N-O 3.28Å; I311-A315 HydrophobicContact CG2-CB 3.63Å; G312-A315 WeakPolarHBondContact O-CB 3.46Å; G312-A315 PolarHBondContact O-N 2.8Å; G313-A315 PolarHBondContact O-N 2.97Å; G313-A315 VanDerWaalsContact O-N 3.14Å; A315-I329 HydrophobicContact CB-CG2 3.85Å; A315-A333 CarbonylContact C-O 3.58Å; A315-A333 VanDerWaalsContact CA-O 3.3Å; A315-A333 WeakPolarHBondContact CA-O 3.22Å
316I97.6Very high96.4Very high46 Ų4631.9 Ų31.924%0.23619%0.188CC..EExtended strand (participates in β ladder)trans-120.4125.3-178.6-59.2173.4000108.7Q280 Y282 A333 V334 V335Q280-I316 HydrophobicContact CB-CG1 4.28Å; Q280-I316 WeakPolarHBondContact O-CA 3.46Å; Y282-I316 HydrophobicContact CD2-CG2 3.78Å; Y282-I316 HydrophobicContact CE2-CG2 3.85Å; I316-A333 PolarHBondContact N-O 3.24Å; I316-V334 HydrophobicContact CB-CG2 4.47Å; I316-V334 HydrophobicContact CD1-CG2 4.41Å; I316-V334 CarbonylContact O-C 3.1Å; I316-V335 PolarHBondContact O-N 3.33Å
317V96.8Very high96.5Very high0 Ų031.4 Ų31.40%018%0.183CC..EExtended strand (participates in β ladder)trans-109.7120.9172.8-174.70000109Q280 L281 Y282 I303 V321 I329 V335Q280-V317 PolarHBondContact O-N 3.31Å; L281-V317 HydrophobicContact CD2-CB 3.6Å; L281-V317 HydrophobicContact CD2-CG1 4.47Å; L281-V317 HydrophobicContact CD2-CG2 3.54Å; Y282-V317 PolarHBondContact N-O 3.23Å; I303-V317 HydrophobicContact CD1-CB 4.27Å; I303-V317 HydrophobicContact CD1-CG1 3.9Å; I303-V317 HydrophobicContact CG1-CG1 4.28Å; I303-V317 HydrophobicContact CG2-CG1 4.01Å; V317-V321 HydrophobicContact CG1-CB 3.65Å; V317-V321 HydrophobicContact CG1-CG1 3.68Å; V317-V321 HydrophobicContact CG1-CG2 4.2Å; V317-I329 HydrophobicContact CG2-CD1 4.44Å; V317-V335 HydrophobicContact CG2-CB 4.3Å; V317-V335 HydrophobicContact CG2-CG2 4.38Å
318T95.3Very high96.6Very high35 Ų3530.4 Ų30.422%0.21518%0.179CC..  trans-84.9165.8-176.1670000112.4Y282 V321 V334 V335 T336Y282-T318 CarbonylContact O-C 3.49Å; T318-V321 WeakPolarHBondContact O-CB 3.19Å; T318-V321 WeakPolarHBondContact O-CG2 3.33Å; T318-V334 HydrophobicContact CG2-CG1 4.49Å; T318-V335 PolarHBondContact N-O 3.48Å; T318-V335 VanDerWaalsContact N-O 3.08Å; T318-V335 PolarHBondContact OG1-O 3.09Å; T318-V335 VanDerWaalsContact OG1-O 3.04Å; T318-T336 HydrophobicContact CG2-CG2 4.24Å; T318-T336 WeakPolarHBondContact OG1-CA 3.46Å
319P93.9Very high96.8Very high32 Ų3227 Ų2721%0.20816%0.16CC..THydrogen-bonded Turntrans-57.6138.7-177.8-2632.9000113.9Y282 T283 A284 K301Y282-P319 WeakPolarHBondContact O-CA 3.46Å; Y282-P319 WeakPolarHBondContact O-CD 3.21Å; Y282-P319 WeakPolarHBondContact O-CG 3.48Å; T283-P319 WeakPolarHBondContact O-CB 3.42Å; A284-P319 VanDerWaalsContact O-CG 3.32Å; A284-P319 WeakPolarHBondContact O-CG 3.47Å; K301-P319 HydrophobicContact CB-CB 3.99Å
320G93.8Very high96.8Very high32 Ų3228.5 Ų28.533%0.3317%0.174SC..THydrogen-bonded Turntrans83.412.1174.500000115K301 P302K301-G320 VanDerWaalsContact CB-CA 3.48Å; K301-G320 VanDerWaalsContact CB-N 3.35Å; K301-G320 PolarHBondContact O-N 3.47Å; P302-G320 CarbonylContact O-C 3.59Å; P302-G320 WeakPolarHBondContact O-CA 3.45Å; P302-G320 PolarHBondContact O-N 2.91Å; P302-G320 VanDerWaalsContact O-N 3.07Å
321V97.1Very high96.8Very high2 Ų225.7 Ų25.71%0.01218%0.179CC..  trans-86.5132.7179.7171.10000110.8I303 T304 V317 T318 V323 V335I303-V321 WeakPolarHBondContact CA-O 3.32Å; T304-V321 PolarHBondContact N-O 3.33Å; V317-V321 HydrophobicContact CG1-CB 3.65Å; V317-V321 HydrophobicContact CG1-CG1 3.68Å; V317-V321 HydrophobicContact CG1-CG2 4.2Å; T318-V321 WeakPolarHBondContact O-CB 3.19Å; T318-V321 WeakPolarHBondContact O-CG2 3.33Å; V321-V323 HydrophobicContact CG1-CG2 3.9Å; V321-V335 HydrophobicContact CG1-CG1 3.72Å; V321-V335 HydrophobicContact CG2-CG1 4.49Å
322T98Very high96.8Very high67 Ų6727.8 Ų27.841%0.41120%0.2SC..EExtended strand (participates in β ladder)trans-111.4122.2167.7-56.20000109T304 S338 F339T304-T322 HydrophobicContact CG2-CG2 4.32Å; T304-T322 CarbonylContact O-C 3.5Å; T304-T322 VanDerWaalsContact O-CA 3.3Å; T304-T322 WeakPolarHBondContact O-CA 3.41Å; T322-S338 PolarHBondContact N-OG 2.77Å; T322-S338 CarbonylContact O-C 3.6Å; T322-S338 WeakPolarHBondContact O-CA 3.42Å; T322-S338 WeakPolarHBondContact O-CB 3.21Å; T322-F339 PolarHBondContact O-N 3.45Å
323V98Very high96.8Very high1 Ų127.5 Ų27.51%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-105.3121.5174.4-178.60000107.4T304 I305 G306 V309 V321 V327 I329T304-V323 PolarHBondContact O-N 3Å; I305-V323 HydrophobicContact CD1-CB 3.97Å; I305-V323 HydrophobicContact CD1-CG2 3.72Å; G306-V323 PolarHBondContact N-O 3.04Å; V309-V323 HydrophobicContact CG1-CG1 3.97Å; V309-V323 HydrophobicContact CG2-CG1 4.05Å; V321-V323 HydrophobicContact CG1-CG2 3.9Å; V323-V327 HydrophobicContact CG1-CB 3.52Å; V323-V327 HydrophobicContact CG1-CG1 3.6Å; V323-V327 HydrophobicContact CG1-CG2 3.87Å; V323-I329 HydrophobicContact CG1-CD1 4.39Å; V323-I329 HydrophobicContact CG2-CD1 4.1Å
324G97.3Very high97.1Very high10 Ų1027.9 Ų27.910%0.10320%0.196CC..  trans-66.5-178.7176.300000114.1V309 V327 F339 D341V309-G324 VanDerWaalsContact CG2-O 3.24Å; V309-G324 WeakPolarHBondContact CG2-O 3.28Å; G324-V327 VanDerWaalsContact O-CG2 3.29Å; G324-V327 WeakPolarHBondContact O-CG2 3.32Å; G324-F339 PolarHBondContact N-O 3.19Å; G324-D341 WeakPolarHBondContact CA-OD1 3.22Å
325D96.8Very high97.2Very high51 Ų5125.3 Ų25.327%0.27318%0.178SC..THydrogen-bonded Turntrans-73.5150.4-178.9-70.20.9000111.3G306 N307 V327 D341 N342G306-D325 WeakPolarHBondContact CA-OD1 3.43Å; N307-D325 PolarHBondContact N-OD1 3.37Å; N307-D325 PolarHBondContact ND2-OD2 3.33Å; N307-D325 VanDerWaalsContact ND2-OD2 3.08Å; N307-D325 CarbonylContact O-C 3.54Å; N307-D325 VanDerWaalsContact O-CA 3.32Å; N307-D325 WeakPolarHBondContact O-CA 3.37Å; D325-V327 PolarHBondContact O-N 2.95Å; D325-V327 VanDerWaalsContact O-N 3.14Å; D325-D341 HydrophobicContact CB-CB 4.48Å; D325-D341 PolarHBondContact N-OD1 3.46Å; D325-D341 CarbonylContact O-C 3.55Å; D325-D341 WeakPolarHBondContact O-CA 3.49Å; D325-D341 WeakPolarHBondContact O-CB 3.47Å; D325-N342 PolarHBondContact O-N 2.89Å
326N95.9Very high97.1Very high43 Ų4328.6 Ų28.623%0.2320%0.198CC..THydrogen-bonded Turntrans61.521.1176.4-44-38.9000114N307 N308 N342 I356N307-N326 PolarHBondContact O-N 2.92Å; N308-N326 WeakPolarHBondContact CB-OD1 3.31Å; N308-N326 PolarHBondContact ND2-OD1 2.91Å; N326-N342 WeakPolarHBondContact CB-OD1 3.26Å; N326-N342 PolarHBondContact ND2-OD1 3.43Å; N326-I356 WeakPolarHBondContact O-CD1 3.26Å
327V98.1Very high97.1Very high0 Ų031.8 Ų31.80%021%0.21CC..  trans-81.4139.9-179.8175.10000111V309 W310 V323 G324 D325 I329 P340 V343 V345V309-V327 CarbonylContact C-O 3.57Å; V309-V327 VanDerWaalsContact CA-O 3.27Å; V309-V327 WeakPolarHBondContact CA-O 3.11Å; V309-V327 WeakPolarHBondContact CG1-O 3.43Å; V309-V327 HydrophobicContact CG2-CB 4.4Å; W310-V327 PolarHBondContact N-O 3.1Å; V323-V327 HydrophobicContact CG1-CB 3.52Å; V323-V327 HydrophobicContact CG1-CG1 3.6Å; V323-V327 HydrophobicContact CG1-CG2 3.87Å; G324-V327 VanDerWaalsContact O-CG2 3.29Å; G324-V327 WeakPolarHBondContact O-CG2 3.32Å; D325-V327 PolarHBondContact O-N 2.95Å; D325-V327 VanDerWaalsContact O-N 3.14Å; V327-I329 HydrophobicContact CG1-CG1 4.24Å; V327-P340 WeakPolarHBondContact CG2-O 3.08Å; V327-V343 VanDerWaalsContact CA-O 3.29Å; V327-V343 WeakPolarHBondContact CA-O 3.37Å; V327-V343 HydrophobicContact CG1-CG2 4.28Å; V327-V343 WeakPolarHBondContact CG1-O 3.24Å; V327-V343 HydrophobicContact CG2-CG2 3.99Å; V327-V345 HydrophobicContact CG1-CG2 4.3Å
328V98.2Very high97.1Very high34 Ų3434.6 Ų34.621%0.20623%0.23CC..EExtended strand (participates in β ladder)trans-112.2118.6169.3-178.50000109.9W310 V343 V344 V345 I356W310-V328 HydrophobicContact CB-CG1 4.42Å; W310-V328 HydrophobicContact CB-CG2 4.35Å; W310-V328 HydrophobicContact CD2-CG1 4.15Å; W310-V328 HydrophobicContact CE3-CG1 3.61Å; W310-V328 HydrophobicContact CE3-CG2 4.29Å; W310-V328 HydrophobicContact CZ3-CG1 4.23Å; W310-V328 CarbonylContact O-C 3.54Å; W310-V328 WeakPolarHBondContact O-CA 3.12Å; V328-V343 PolarHBondContact N-O 2.63Å; V328-V344 HydrophobicContact CB-CB 4.47Å; V328-V344 HydrophobicContact CB-CG1 4.19Å; V328-V344 HydrophobicContact CB-CG2 4.12Å; V328-V344 HydrophobicContact CG1-CG1 4.35Å; V328-V344 CarbonylContact O-C 3.6Å; V328-V344 VanDerWaalsContact O-CA 3.31Å; V328-V344 WeakPolarHBondContact O-CA 3.41Å; V328-V345 PolarHBondContact O-N 3.47Å; V328-I356 HydrophobicContact CG2-CD1 4.08Å
329I98.5Very high97.3Very high1 Ų133.5 Ų33.51%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-95.9120.5172.8-62.6164.9000108.4W310 I311 G312 A315 V317 V323 V327 A333 V335 V345W310-I329 PolarHBondContact O-N 3.01Å; I311-I329 HydrophobicContact CD1-CD1 4.03Å; I311-I329 HydrophobicContact CG1-CD1 3.99Å; I311-I329 HydrophobicContact CG2-CB 4.16Å; I311-I329 HydrophobicContact CG2-CD1 4.33Å; I311-I329 HydrophobicContact CG2-CG2 4.25Å; G312-I329 WeakPolarHBondContact CA-O 3.18Å; G312-I329 PolarHBondContact N-O 2.9Å; A315-I329 HydrophobicContact CB-CG2 3.85Å; V317-I329 HydrophobicContact CG2-CD1 4.44Å; V323-I329 HydrophobicContact CG1-CD1 4.39Å; V323-I329 HydrophobicContact CG2-CD1 4.1Å; V327-I329 HydrophobicContact CG1-CG1 4.24Å; I329-A333 HydrophobicContact CG2-CB 3.75Å; I329-V335 HydrophobicContact CD1-CG2 3.97Å; I329-V335 HydrophobicContact CG1-CG2 4.21Å; I329-V335 HydrophobicContact CG2-CG2 3.74Å; I329-V345 HydrophobicContact CB-CG2 4.13Å; I329-V345 HydrophobicContact CG1-CG2 3.55Å; I329-V345 HydrophobicContact CG2-CG2 4.38Å
330A98.1Very high97.4Very high34 Ų3435.7 Ų35.728%0.28124%0.236SC..PPolyproline II helixtrans-62.6152.3178.100000112.3G332 A333 V345A330-G332 PolarHBondContact O-N 2.85Å; A330-A333 WeakPolarHBondContact O-CB 3.2Å; A330-A333 PolarHBondContact O-N 3.38Å; A330-V345 WeakPolarHBondContact CB-O 3.43Å; A330-V345 PolarHBondContact N-O 2.89Å
331A97.5Very high97.6Very high74 Ų7438.1 Ų38.161%0.61224%0.242SC*.THydrogen-bonded Turntrans-56.6139175.200000111.6G313 A333G313-A331 CarbonylContact O-C 3.6Å; G313-A331 VanDerWaalsContact O-CA 3.25Å; G313-A331 WeakPolarHBondContact O-CA 3.38Å; G313-A331 WeakPolarHBondContact O-CB 3.23Å; A331-A333 PolarHBondContact O-N 3.2Å
332G97Very high97.5Very high43 Ų4341 Ų4144%0.44326%0.257SS..THydrogen-bonded Turntrans68.46.8-178.700000115.7G313 A330G313-G332 PolarHBondContact O-N 2.96Å; A330-G332 PolarHBondContact O-N 2.85Å
333A98.4Very high97.5Very high1 Ų138.1 Ų38.11%0.00824%0.239CC..  trans-68.9146.717800000112.1A315 I316 I329 A330 A331 G347 A350A315-A333 CarbonylContact C-O 3.58Å; A315-A333 VanDerWaalsContact CA-O 3.3Å; A315-A333 WeakPolarHBondContact CA-O 3.22Å; I316-A333 PolarHBondContact N-O 3.24Å; I329-A333 HydrophobicContact CG2-CB 3.75Å; A330-A333 WeakPolarHBondContact O-CB 3.2Å; A330-A333 PolarHBondContact O-N 3.38Å; A331-A333 PolarHBondContact O-N 3.2Å; A333-G347 WeakPolarHBondContact CA-O 3.37Å; A333-A350 HydrophobicContact CB-CB 4.49Å
334V98.5Very high97.5Very high25 Ų2539.1 Ų39.115%0.15225%0.245CC..EExtended strand (participates in β ladder)trans-112.2100.2174-175.80000108.8I316 T318 T336 G347 N348 A350I316-V334 HydrophobicContact CB-CG2 4.47Å; I316-V334 HydrophobicContact CD1-CG2 4.41Å; I316-V334 CarbonylContact O-C 3.1Å; T318-V334 HydrophobicContact CG2-CG1 4.49Å; V334-T336 HydrophobicContact CG1-CG2 3.89Å; V334-T336 PolarHBondContact O-N 3.41Å; V334-G347 PolarHBondContact N-O 2.92Å; V334-N348 HydrophobicContact CB-CB 4.02Å; V334-N348 WeakPolarHBondContact CB-OD1 3.41Å; V334-N348 HydrophobicContact CG2-CB 3.83Å; V334-A350 WeakPolarHBondContact O-CB 3.43Å; V334-A350 PolarHBondContact O-N 3.1Å
335V98.1Very high97.5Very high0 Ų038.6 Ų38.60%024%0.24CC..EExtended strand (participates in β ladder)trans-85.399.1-174.8-173.20000109I316 V317 T318 V321 I329 K337 F339 A350I316-V335 PolarHBondContact O-N 3.33Å; V317-V335 HydrophobicContact CG2-CB 4.3Å; V317-V335 HydrophobicContact CG2-CG2 4.38Å; T318-V335 PolarHBondContact N-O 3.48Å; T318-V335 VanDerWaalsContact N-O 3.08Å; T318-V335 PolarHBondContact OG1-O 3.09Å; T318-V335 VanDerWaalsContact OG1-O 3.04Å; V321-V335 HydrophobicContact CG1-CG1 3.72Å; V321-V335 HydrophobicContact CG2-CG1 4.49Å; I329-V335 HydrophobicContact CD1-CG2 3.97Å; I329-V335 HydrophobicContact CG1-CG2 4.21Å; I329-V335 HydrophobicContact CG2-CG2 3.74Å; V335-K337 WeakPolarHBondContact CG1-O 3.34Å; V335-F339 HydrophobicContact CG1-CD2 3.91Å; V335-F339 HydrophobicContact CG1-CE2 3.77Å; V335-A350 HydrophobicContact CG2-CB 4.12Å
336T96.9Very high97.6Very high70 Ų7036.6 Ų36.643%0.42923%0.232SC..  trans-99.90.6-175.4650000114.5T318 V334 P349T318-T336 HydrophobicContact CG2-CG2 4.24Å; T318-T336 WeakPolarHBondContact OG1-CA 3.46Å; V334-T336 HydrophobicContact CG1-CG2 3.89Å; V334-T336 PolarHBondContact O-N 3.41Å; T336-P349 HydrophobicContact CG2-CB 4.15Å
337K96.9Very high97.7Very high113 Ų11336.6 Ų36.649%0.49124%0.241SC..SBendtrans-154.3162.1-18064.7175.7-175.5170.60110.6V335 F339V335-K337 WeakPolarHBondContact CG1-O 3.34Å; K337-F339 HydrophobicContact CG-CE2 4.05Å; K337-F339 HydrophobicContact CG-CZ 3.99Å; K337-F339 WeakPolarHBondContact O-CD2 3.48Å; K337-F339 VanDerWaalsContact O-CE2 3.23Å; K337-F339 WeakPolarHBondContact O-CE2 3.33Å
338S98Very high97.7Very high59 Ų5942.6 Ų42.641%0.41327%0.274SS..  trans-67.8151.2176.4-54.50000112.6T322T322-S338 PolarHBondContact N-OG 2.77Å; T322-S338 CarbonylContact O-C 3.6Å; T322-S338 WeakPolarHBondContact O-CA 3.42Å; T322-S338 WeakPolarHBondContact O-CB 3.21Å
339F97.8Very high97.6Very high11 Ų1143.7 Ų43.75%0.04828%0.282CS..BIsolated β-bridgetrans-131.4142.6178.3-71.7-81.2000110.7T322 G324 V335 K337 V343 V345 A350 I352T322-F339 PolarHBondContact O-N 3.45Å; G324-F339 PolarHBondContact N-O 3.19Å; V335-F339 HydrophobicContact CG1-CD2 3.91Å; V335-F339 HydrophobicContact CG1-CE2 3.77Å; K337-F339 HydrophobicContact CG-CE2 4.05Å; K337-F339 HydrophobicContact CG-CZ 3.99Å; K337-F339 WeakPolarHBondContact O-CD2 3.48Å; K337-F339 VanDerWaalsContact O-CE2 3.23Å; K337-F339 WeakPolarHBondContact O-CE2 3.33Å; F339-V343 HydrophobicContact CB-CG2 4.28Å; F339-V345 HydrophobicContact CB-CG1 4.28Å; F339-V345 HydrophobicContact CD1-CG1 3.46Å; F339-V345 VanDerWaalsContact CD1-CG1 3.46Å; F339-V345 HydrophobicContact CD2-CG1 4.11Å; F339-V345 HydrophobicContact CD2-CG2 4.45Å; F339-V345 HydrophobicContact CE1-CB 4.4Å; F339-V345 HydrophobicContact CE1-CG1 3.7Å; F339-V345 HydrophobicContact CE2-CB 4.5Å; F339-V345 HydrophobicContact CE2-CG1 4.33Å; F339-V345 HydrophobicContact CG-CG1 3.68Å; F339-V345 HydrophobicContact CZ-CB 4.39Å; F339-V345 HydrophobicContact CZ-CG1 4.14Å; F339-A350 HydrophobicContact CE2-CB 4.19Å; F339-A350 HydrophobicContact CZ-CB 4.2Å; F339-A350 WeakPolarHBondContact CZ-O 3.22Å; F339-I352 HydrophobicContact CD1-CD1 4.28Å; F339-I352 HydrophobicContact CD1-CG1 3.75Å; F339-I352 HydrophobicContact CE1-CG1 3.87Å
340P97.2Very high97.6Very high78 Ų7843.8 Ų43.851%0.50628%0.282SS..  trans-74.1177.4178.335.2-37.4000111.2V327 V343V327-P340 WeakPolarHBondContact CG2-O 3.08Å; P340-V343 HydrophobicContact CG-CG1 4.38Å; P340-V343 WeakPolarHBondContact O-CG2 3.32Å
341D96.7Very high97.6Very high84 Ų8450.1 Ų50.145%0.44930%0.299SS..SBendtrans-64.2160.7177.5-48.5-19000112.4G324 D325 V343G324-D341 WeakPolarHBondContact CA-OD1 3.22Å; D325-D341 HydrophobicContact CB-CB 4.48Å; D325-D341 PolarHBondContact N-OD1 3.46Å; D325-D341 CarbonylContact O-C 3.55Å; D325-D341 WeakPolarHBondContact O-CA 3.49Å; D325-D341 WeakPolarHBondContact O-CB 3.47Å; D341-V343 PolarHBondContact O-N 2.74Å
342N96.3Very high97.6Very high63 Ų6350.7 Ų50.734%0.33729%0.291SS..SBendtrans60.140.3167.9-50.3-58000114.8D325 N326 T355 I356D325-N342 PolarHBondContact O-N 2.89Å; N326-N342 WeakPolarHBondContact CB-OD1 3.26Å; N326-N342 PolarHBondContact ND2-OD1 3.43Å; N342-T355 CarbonylContact O-C 3.48Å; N342-T355 WeakPolarHBondContact O-CA 3.49Å; N342-I356 HydrophobicContact CB-CB 4.48Å; N342-I356 PolarHBondContact O-N 3.24Å
343V97.5Very high97.6Very high6 Ų653.9 Ų53.94%0.03630%0.296CS..EExtended strand (participates in β ladder)trans-128.8150.6176.3-640000112.4V327 V328 F339 P340 D341 V345 I352 K354 T355V327-V343 VanDerWaalsContact CA-O 3.29Å; V327-V343 WeakPolarHBondContact CA-O 3.37Å; V327-V343 HydrophobicContact CG1-CG2 4.28Å; V327-V343 WeakPolarHBondContact CG1-O 3.24Å; V327-V343 HydrophobicContact CG2-CG2 3.99Å; V328-V343 PolarHBondContact N-O 2.63Å; F339-V343 HydrophobicContact CB-CG2 4.28Å; P340-V343 HydrophobicContact CG-CG1 4.38Å; P340-V343 WeakPolarHBondContact O-CG2 3.32Å; D341-V343 PolarHBondContact O-N 2.74Å; V343-V345 HydrophobicContact CB-CG1 4.49Å; V343-V345 HydrophobicContact CG2-CG1 3.83Å; V343-I352 HydrophobicContact CB-CG1 4.32Å; V343-I352 HydrophobicContact CB-CG2 4.17Å; V343-I352 HydrophobicContact CG1-CD1 4.15Å; V343-I352 HydrophobicContact CG1-CG1 4.33Å; V343-I352 HydrophobicContact CG1-CG2 4.11Å; V343-I352 HydrophobicContact CG2-CG1 4.39Å; V343-K354 WeakPolarHBondContact CA-O 3.28Å; V343-T355 HydrophobicContact CG1-CG2 4.24Å
344V98.1Very high97.4Very high21 Ų2160 Ų6013%0.12732%0.323CS..EExtended strand (participates in β ladder)trans-99.3128.3163.6-175.20000108V328 I353 K354 I356V328-V344 HydrophobicContact CB-CB 4.47Å; V328-V344 HydrophobicContact CB-CG1 4.19Å; V328-V344 HydrophobicContact CB-CG2 4.12Å; V328-V344 HydrophobicContact CG1-CG1 4.35Å; V328-V344 CarbonylContact O-C 3.6Å; V328-V344 VanDerWaalsContact O-CA 3.31Å; V328-V344 WeakPolarHBondContact O-CA 3.41Å; V344-I353 PolarHBondContact O-N 3.41Å; V344-K354 HydrophobicContact CB-CG 3.8Å; V344-K354 HydrophobicContact CG2-CD 4.32Å; V344-K354 HydrophobicContact CG2-CG 3.76Å; V344-K354 PolarHBondContact N-O 2.97Å; V344-K354 PolarHBondContact O-N 3.38Å; V344-I356 HydrophobicContact CG2-CD1 3.9Å; V344-I356 HydrophobicContact CG2-CG1 3.81Å
345V98.3Very high97.2Very high0 Ų063.1 Ų63.10%034%0.342CS..EExtended strand (participates in β ladder)trans-122.6150.4180-56.60000111.2V327 V328 I329 A330 F339 V343 R351 I352V327-V345 HydrophobicContact CG1-CG2 4.3Å; V328-V345 PolarHBondContact O-N 3.47Å; I329-V345 HydrophobicContact CB-CG2 4.13Å; I329-V345 HydrophobicContact CG1-CG2 3.55Å; I329-V345 HydrophobicContact CG2-CG2 4.38Å; A330-V345 WeakPolarHBondContact CB-O 3.43Å; A330-V345 PolarHBondContact N-O 2.89Å; F339-V345 HydrophobicContact CB-CG1 4.28Å; F339-V345 HydrophobicContact CD1-CG1 3.46Å; F339-V345 VanDerWaalsContact CD1-CG1 3.46Å; F339-V345 HydrophobicContact CD2-CG1 4.11Å; F339-V345 HydrophobicContact CD2-CG2 4.45Å; F339-V345 HydrophobicContact CE1-CB 4.4Å; F339-V345 HydrophobicContact CE1-CG1 3.7Å; F339-V345 HydrophobicContact CE2-CB 4.5Å; F339-V345 HydrophobicContact CE2-CG1 4.33Å; F339-V345 HydrophobicContact CG-CG1 3.68Å; F339-V345 HydrophobicContact CZ-CB 4.39Å; F339-V345 HydrophobicContact CZ-CG1 4.14Å; V343-V345 HydrophobicContact CB-CG1 4.49Å; V343-V345 HydrophobicContact CG2-CG1 3.83Å; V345-R351 CarbonylContact C-O 3.57Å; V345-R351 VanDerWaalsContact CA-O 3.23Å; V345-R351 WeakPolarHBondContact CA-O 3.5Å; V345-I352 HydrophobicContact CG1-CG1 4.08Å
346G97.8Very high96.9Very high9 Ų965.8 Ų65.89%0.09336%0.356CS..EExtended strand (participates in β ladder)trans-170.3170.6175.400000113.7A350 R351G346-A350 CarbonylContact O-C 3.6Å; G346-A350 VanDerWaalsContact O-CA 3.31Å; G346-A350 WeakPolarHBondContact O-CA 3.41Å; G346-R351 PolarHBondContact N-O 3.38Å; G346-R351 PolarHBondContact O-N 3.31Å
347G97.8Very high96.2Very high42 Ų4271 Ų7143%0.43338%0.375SS..EExtended strand (participates in β ladder)trans99.5178.3-177.600000114.2A333 V334 P349 A350A333-G347 WeakPolarHBondContact CA-O 3.37Å; V334-G347 PolarHBondContact N-O 2.92Å; G347-P349 VanDerWaalsContact C-C 3.5Å; G347-P349 CarbonylContact C-O 3.59Å; G347-P349 CarbonylContact O-C 3.53Å; G347-A350 WeakPolarHBondContact O-CA 3.43Å; G347-A350 PolarHBondContact O-N 3.2Å; G347-A350 VanDerWaalsContact O-N 3.16Å
348N97.8Very high94.8Very high126 Ų12673.1 Ų73.167%0.67439%0.387SS*.THydrogen-bonded Turntrans-130.8103.91741797.9000109.3V334V334-N348 HydrophobicContact CB-CB 4.02Å; V334-N348 WeakPolarHBondContact CB-OD1 3.41Å; V334-N348 HydrophobicContact CG2-CB 3.83Å
349P97.1Very high92.7Very high58 Ų5878.7 Ų78.738%0.37741%0.407SS..THydrogen-bonded Turncis-70.8153.1-4.331.2-35.7000111.8T336 G347T336-P349 HydrophobicContact CG2-CB 4.15Å; G347-P349 VanDerWaalsContact C-C 3.5Å; G347-P349 CarbonylContact C-O 3.59Å; G347-P349 CarbonylContact O-C 3.53Å
350A98Very high90.4Very high2 Ų284.8 Ų84.82%0.01744%0.439CS..EExtended strand (participates in β ladder)trans-62.1141.2179.200000111.6A333 V334 V335 F339 G346 G347A333-A350 HydrophobicContact CB-CB 4.49Å; V334-A350 WeakPolarHBondContact O-CB 3.43Å; V334-A350 PolarHBondContact O-N 3.1Å; V335-A350 HydrophobicContact CG2-CB 4.12Å; F339-A350 HydrophobicContact CE2-CB 4.19Å; F339-A350 HydrophobicContact CZ-CB 4.2Å; F339-A350 WeakPolarHBondContact CZ-O 3.22Å; G346-A350 CarbonylContact O-C 3.6Å; G346-A350 VanDerWaalsContact O-CA 3.31Å; G346-A350 WeakPolarHBondContact O-CA 3.41Å; G347-A350 WeakPolarHBondContact O-CA 3.43Å; G347-A350 PolarHBondContact O-N 3.2Å; G347-A350 VanDerWaalsContact O-N 3.16Å
351R97.7Very high88Confident167 Ų16789.7 Ų89.763%0.6345%0.453SS*.EExtended strand (participates in β ladder)trans-136.3158.4172.7-60.4-173.3-174.4-99.3-1.4109.7V345 G346 I353V345-R351 CarbonylContact C-O 3.57Å; V345-R351 VanDerWaalsContact CA-O 3.23Å; V345-R351 WeakPolarHBondContact CA-O 3.5Å; G346-R351 PolarHBondContact N-O 3.38Å; G346-R351 PolarHBondContact O-N 3.31Å; R351-I353 PolarHBondContact O-N 2.89Å
352I97.9Very high85.9Confident87 Ų8789 Ų8945%0.44645%0.449SS..EExtended strand (participates in β ladder)trans-63.7124.3173.4-62.6168.6000108.3F339 V343 V345F339-I352 HydrophobicContact CD1-CD1 4.28Å; F339-I352 HydrophobicContact CD1-CG1 3.75Å; F339-I352 HydrophobicContact CE1-CG1 3.87Å; V343-I352 HydrophobicContact CB-CG1 4.32Å; V343-I352 HydrophobicContact CB-CG2 4.17Å; V343-I352 HydrophobicContact CG1-CD1 4.15Å; V343-I352 HydrophobicContact CG1-CG1 4.33Å; V343-I352 HydrophobicContact CG1-CG2 4.11Å; V343-I352 HydrophobicContact CG2-CG1 4.39Å; V345-I352 HydrophobicContact CG1-CG1 4.08Å
353I97.4Very high84.3Confident109 Ų10990.3 Ų90.356%0.55946%0.456SS*.EExtended strand (participates in β ladder)trans-91.7-45.2175.5-62.5173.7000109.4V344 R351V344-I353 PolarHBondContact O-N 3.41Å; R351-I353 PolarHBondContact O-N 2.89Å
354K94Very high82.9Confident131 Ų13194.2 Ų94.257%0.5749%0.489SS*.EExtended strand (participates in β ladder)trans-159.2163.5177.861.7173.8-175.5173.10111.6V343 V344V343-K354 WeakPolarHBondContact CA-O 3.28Å; V344-K354 HydrophobicContact CB-CG 3.8Å; V344-K354 HydrophobicContact CG2-CD 4.32Å; V344-K354 HydrophobicContact CG2-CG 3.76Å; V344-K354 PolarHBondContact N-O 2.97Å; V344-K354 PolarHBondContact O-N 3.38Å
355T94.6Very high81.6Confident90 Ų9097.9 Ų97.955%0.55251%0.507SS*.EExtended strand (participates in β ladder)trans-87.1154.1166.746.40000110.4N342 V343N342-T355 CarbonylContact O-C 3.48Å; N342-T355 WeakPolarHBondContact O-CA 3.49Å; V343-T355 HydrophobicContact CG1-CG2 4.24Å
356I91.4Very high80.4Confident56 Ų56100.3 Ų100.329%0.28752%0.523SS..  trans-102.8121.4174-62.8162.4000106.5N326 V328 N342 V344N326-I356 WeakPolarHBondContact O-CD1 3.26Å; V328-I356 HydrophobicContact CG2-CD1 4.08Å; N342-I356 HydrophobicContact CB-CB 4.48Å; N342-I356 PolarHBondContact O-N 3.24Å; V344-I356 HydrophobicContact CG2-CD1 3.9Å; V344-I356 HydrophobicContact CG2-CG1 3.81Å
357E82.3Confident79.3Confident179 Ų179103.7 Ų103.784%0.83654%0.538SS*.  trans-105120173.2-66.7178.4-175.800107.2
358E66.2Low78.2Confident157 Ų157103.9 Ų103.973%0.73454%0.536SS*.  trans-103125.1175.2-155.7172-151.400108.5N360E358-N360 PolarHBondContact O-N 3.45Å
359E55.9Low77.2Confident177 Ų177105.2 Ų105.283%0.82753%0.531SS*.  trans-69.3104.7174.3-81.1-173.9167.500108.9K361E359-K361 PolarHBondContact O-N 2.91Å
360N47.9Very low76.1Confident138 Ų138107.4 Ų107.474%0.73854%0.535SS*.  trans-53.298.2174.9-93.6-34.5000111.3E358E358-N360 PolarHBondContact O-N 3.45Å
361K48Very low75.1Confident181 Ų181114.1 Ų114.179%0.78756%0.564SS**  trans-109.968.8154-71.7-175.9-177.4173.60107.5E359 D363E359-K361 PolarHBondContact O-N 2.91Å; K361-D363 PolarHBondContact O-N 3.45Å
362D51.8Low74.2Confident70 Ų70110.5 Ų110.537%0.37456%0.556SS.*  trans-61.993.9166.7-92.9-29.8000107.5T366 K370D362-T366 WeakPolarHBondContact OD1-CG2 3.37Å; D362-K370 IonicContact OD1-NZ 3.54Å; D362-K370 PolarHBondContact OD1-NZ 3.2Å; D362-K370 IonicContact OD2-NZ 3.85Å; D362-K370 PolarHBondContact OD2-NZ 3.45Å; D362-K370 VanDerWaalsContact OD2-NZ 3.15Å
363D62Low73.2Confident91 Ų91110.6 Ų110.649%0.48756%0.558SS.*  trans-76.1168170.373.413.3000110.8K361 L365 T366 N367K361-D363 PolarHBondContact O-N 3.45Å; D363-L365 PolarHBondContact O-N 2.98Å; D363-L365 VanDerWaalsContact O-N 3.12Å; D363-L365 PolarHBondContact OD1-N 3.26Å; D363-T366 PolarHBondContact O-N 3.18Å; D363-T366 PolarHBondContact OD1-N 3.27Å; D363-T366 VanDerWaalsContact OD1-N 3.07Å; D363-T366 PolarHBondContact OD1-OG1 3.23Å; D363-N367 PolarHBondContact O-N 3.32Å; D363-N367 PolarHBondContact O-ND2 3.48Å
364A69.9Low72.4Confident88 Ų88113 Ų11373%0.72756%0.56SS**Hα-helixtrans-58-29.1-174.600000113.3A368A364-A368 WeakPolarHBondContact O-CB 3.29Å; A364-A368 PolarHBondContact O-N 3.09Å; A364-A368 VanDerWaalsContact O-N 3.08Å
365L70.3Confident71.8Confident97 Ų97110.6 Ų110.651%0.50855%0.552SS.*Hα-helixtrans-72.8-42.1-179.3-178.863.3000111.3D363 N367 A368 R369D363-L365 PolarHBondContact O-N 2.98Å; D363-L365 VanDerWaalsContact O-N 3.12Å; D363-L365 PolarHBondContact OD1-N 3.26Å; L365-N367 VanDerWaalsContact C-N 3.31Å; L365-N367 PolarHBondContact O-N 2.97Å; L365-A368 PolarHBondContact O-N 3.19Å; L365-R369 PolarHBondContact O-N 3.48Å
366T71.7Confident71.1Confident52 Ų52110.1 Ų110.132%0.31955%0.546SS..Hα-helixtrans-62.7-41.5177.8-52.90000111D362 D363 R369 K370D362-T366 WeakPolarHBondContact OD1-CG2 3.37Å; D363-T366 PolarHBondContact O-N 3.18Å; D363-T366 PolarHBondContact OD1-N 3.27Å; D363-T366 VanDerWaalsContact OD1-N 3.07Å; D363-T366 PolarHBondContact OD1-OG1 3.23Å; T366-R369 PolarHBondContact O-N 2.82Å; T366-K370 HydrophobicContact CG2-CD 4.46Å; T366-K370 WeakPolarHBondContact O-CG 3.32Å; T366-K370 PolarHBondContact O-N 2.95Å
367N75.5Confident70.3Confident79 Ų79113.9 Ų113.942%0.42256%0.563SS.*Hα-helixtrans-65.9-37174.8-73.8-46.9000113.1D363 L365 K371D363-N367 PolarHBondContact O-N 3.32Å; D363-N367 PolarHBondContact O-ND2 3.48Å; L365-N367 VanDerWaalsContact C-N 3.31Å; L365-N367 PolarHBondContact O-N 2.97Å; N367-K371 WeakPolarHBondContact O-CB 3.39Å; N367-K371 PolarHBondContact O-N 2.9Å; N367-K371 VanDerWaalsContact O-N 3.15Å
368A75.8Confident70.5Confident46 Ų46109.9 Ų109.938%0.3854%0.544SS..Hα-helixtrans-65.6-42.8175.700000111.9A364 L365 K371 I372A364-A368 WeakPolarHBondContact O-CB 3.29Å; A364-A368 PolarHBondContact O-N 3.09Å; A364-A368 VanDerWaalsContact O-N 3.08Å; L365-A368 PolarHBondContact O-N 3.19Å; A368-K371 WeakPolarHBondContact O-CB 3.48Å; A368-K371 PolarHBondContact O-N 2.97Å; A368-I372 WeakPolarHBondContact O-CG1 3.32Å; A368-I372 PolarHBondContact O-N 2.78Å
369R74.9Confident71.2Confident154 Ų154106.1 Ų106.158%0.58153%0.528SS*.Hα-helixtrans-63.4-48.8177-73177.3174.2173.8-2.6112.3L365 T366 K371 I372 D373L365-R369 PolarHBondContact O-N 3.48Å; T366-R369 PolarHBondContact O-N 2.82Å; R369-K371 PolarHBondContact O-N 3.05Å; R369-K371 VanDerWaalsContact O-N 3.09Å; R369-I372 WeakPolarHBondContact O-CA 3.31Å; R369-I372 WeakPolarHBondContact O-CB 3.47Å; R369-I372 PolarHBondContact O-N 3.32Å; R369-D373 PolarHBondContact O-N 2.9Å
370K75.1Confident72Confident104 Ų104101.4 Ų101.445%0.45251%0.511SS..Hα-helixtrans-53.8-33.6173.3-73.6171.8176.6167.90112.2D362 T366 R374D362-K370 IonicContact OD1-NZ 3.54Å; D362-K370 PolarHBondContact OD1-NZ 3.2Å; D362-K370 IonicContact OD2-NZ 3.85Å; D362-K370 PolarHBondContact OD2-NZ 3.45Å; D362-K370 VanDerWaalsContact OD2-NZ 3.15Å; T366-K370 HydrophobicContact CG2-CD 4.46Å; T366-K370 WeakPolarHBondContact O-CG 3.32Å; T366-K370 PolarHBondContact O-N 2.95Å; K370-R374 PolarHBondContact O-N 3.21Å
371K77.8Confident73.6Confident144 Ų14498 Ų9863%0.62650%0.495SS*.Hα-helixtrans-72.3-39.6175.9-166.6178.7-179.7-176.10112.4N367 A368 R369 R374 I375N367-K371 WeakPolarHBondContact O-CB 3.39Å; N367-K371 PolarHBondContact O-N 2.9Å; N367-K371 VanDerWaalsContact O-N 3.15Å; A368-K371 WeakPolarHBondContact O-CB 3.48Å; A368-K371 PolarHBondContact O-N 2.97Å; R369-K371 PolarHBondContact O-N 3.05Å; R369-K371 VanDerWaalsContact O-N 3.09Å; K371-R374 PolarHBondContact O-N 3.23Å; K371-I375 HydrophobicContact CG-CD1 4.44Å; K371-I375 VanDerWaalsContact O-CG1 3.31Å; K371-I375 WeakPolarHBondContact O-CG1 3.44Å; K371-I375 PolarHBondContact O-N 3.02Å; K371-I375 VanDerWaalsContact O-N 3.14Å
372I77.8Confident75.3Confident91 Ų9194.7 Ų94.747%0.46749%0.486SS..Hα-helixtrans-61.8-50.7174.3-67.1167.7000109.9A368 R369 R374 I375 D376A368-I372 WeakPolarHBondContact O-CG1 3.32Å; A368-I372 PolarHBondContact O-N 2.78Å; R369-I372 WeakPolarHBondContact O-CA 3.31Å; R369-I372 WeakPolarHBondContact O-CB 3.47Å; R369-I372 PolarHBondContact O-N 3.32Å; I372-R374 PolarHBondContact O-N 2.92Å; I372-I375 WeakPolarHBondContact O-CA 3.25Å; I372-I375 WeakPolarHBondContact O-CB 3.25Å; I372-I375 PolarHBondContact O-N 2.79Å; I372-D376 PolarHBondContact O-N 3.46Å
373D76.4Confident76.1Confident89 Ų8995.6 Ų95.648%0.47649%0.49SS..Hα-helixtrans-58.7-37.1-178.5-57.2-27.5000111.8R369 D376 Q377R369-D373 PolarHBondContact O-N 2.9Å; D373-D376 PolarHBondContact O-N 3.06Å; D373-Q377 WeakPolarHBondContact O-CG 3.4Å; D373-Q377 PolarHBondContact O-N 3.04Å; D373-Q377 VanDerWaalsContact O-N 3.07Å
374R80.9Confident76.6Confident160 Ų16097.1 Ų97.160%0.60449%0.494SS*.Hα-helixtrans-67-38.9175.4-156.6-17998.9161.45.1112.3K370 K371 I372 D376 Q377 E378K370-R374 PolarHBondContact O-N 3.21Å; K371-R374 PolarHBondContact O-N 3.23Å; I372-R374 PolarHBondContact O-N 2.92Å; R374-D376 VanDerWaalsContact C-N 3.35Å; R374-Q377 PolarHBondContact O-N 3Å; R374-E378 IonicContact CZ-OE1 3.34Å; R374-E378 IonicContact NE-OE1 2.77Å; R374-E378 PolarHBondContact NE-OE1 2.94Å; R374-E378 IonicContact NH2-OE1 3.85Å; R374-E378 WeakPolarHBondContact O-CG 3.41Å; R374-E378 PolarHBondContact O-N 3.49Å; R374-E378 VanDerWaalsContact O-N 3.1Å
375I82Confident77.1Confident80 Ų8099.5 Ų99.541%0.4149%0.488SS..Hα-helixtrans-64.7-42.3175-68.9164000109.9K371 I372 Q377 E378 I379K371-I375 HydrophobicContact CG-CD1 4.44Å; K371-I375 VanDerWaalsContact O-CG1 3.31Å; K371-I375 WeakPolarHBondContact O-CG1 3.44Å; K371-I375 PolarHBondContact O-N 3.02Å; K371-I375 VanDerWaalsContact O-N 3.14Å; I372-I375 WeakPolarHBondContact O-CA 3.25Å; I372-I375 WeakPolarHBondContact O-CB 3.25Å; I372-I375 PolarHBondContact O-N 2.79Å; I375-Q377 VanDerWaalsContact C-N 3.33Å; I375-Q377 PolarHBondContact O-N 3.28Å; I375-E378 CarbonylContact O-C 3.57Å; I375-E378 WeakPolarHBondContact O-CA 3.31Å; I375-E378 WeakPolarHBondContact O-CB 3.43Å; I375-E378 PolarHBondContact O-N 3.49Å; I375-E378 VanDerWaalsContact O-N 3.08Å; I375-I379 HydrophobicContact CG2-CD1 3.92Å; I375-I379 HydrophobicContact CG2-CG1 4.33Å; I375-I379 WeakPolarHBondContact O-CG1 3.28Å; I375-I379 PolarHBondContact O-N 2.9Å
376D78.8Confident77.4Confident80 Ų80102.4 Ų102.443%0.42849%0.492SS..Hα-helixtrans-62.6-40.4178.9-69.7-20.2000111.7I372 D373 R374 E378 I379 V380I372-D376 PolarHBondContact O-N 3.46Å; D373-D376 PolarHBondContact O-N 3.06Å; R374-D376 VanDerWaalsContact C-N 3.35Å; D376-E378 VanDerWaalsContact C-N 3.34Å; D376-E378 PolarHBondContact O-N 2.95Å; D376-I379 PolarHBondContact O-N 3.45Å; D376-V380 WeakPolarHBondContact O-CG2 3.44Å; D376-V380 PolarHBondContact O-N 2.94Å
377Q75Confident77.2Confident135 Ų135106.3 Ų106.363%0.63151%0.509SS*.Hα-helixtrans-61.8-39.6171.9-72.4175.91.900112.7D373 R374 I375 T381D373-Q377 WeakPolarHBondContact O-CG 3.4Å; D373-Q377 PolarHBondContact O-N 3.04Å; D373-Q377 VanDerWaalsContact O-N 3.07Å; R374-Q377 PolarHBondContact O-N 3Å; I375-Q377 VanDerWaalsContact C-N 3.33Å; I375-Q377 PolarHBondContact O-N 3.28Å; Q377-T381 PolarHBondContact O-N 3.01Å; Q377-T381 VanDerWaalsContact O-N 3.09Å; Q377-T381 PolarHBondContact O-OG1 3.47Å
378E87.9Confident77.1Confident94 Ų94105.8 Ų105.844%0.43951%0.511SS..Hα-helixtrans-65.7-39.8175-70.8174.5-157.200111.2R374 I375 D376 T381 L382R374-E378 IonicContact CZ-OE1 3.34Å; R374-E378 IonicContact NE-OE1 2.77Å; R374-E378 PolarHBondContact NE-OE1 2.94Å; R374-E378 IonicContact NH2-OE1 3.85Å; R374-E378 WeakPolarHBondContact O-CG 3.41Å; R374-E378 PolarHBondContact O-N 3.49Å; R374-E378 VanDerWaalsContact O-N 3.1Å; I375-E378 CarbonylContact O-C 3.57Å; I375-E378 WeakPolarHBondContact O-CA 3.31Å; I375-E378 WeakPolarHBondContact O-CB 3.43Å; I375-E378 PolarHBondContact O-N 3.49Å; I375-E378 VanDerWaalsContact O-N 3.08Å; D376-E378 VanDerWaalsContact C-N 3.34Å; D376-E378 PolarHBondContact O-N 2.95Å; E378-T381 WeakPolarHBondContact O-CB 3.42Å; E378-T381 PolarHBondContact O-N 2.98Å; E378-L382 VanDerWaalsContact O-CG 3.29Å; E378-L382 WeakPolarHBondContact O-CG 3.02Å; E378-L382 PolarHBondContact O-N 2.88Å
379I79Confident77.1Confident79 Ų79105.8 Ų105.841%0.40551%0.511SS..Hα-helixtrans-62-47.6175.3-70.7169.3000111I375 D376 T381 L382 L383I375-I379 HydrophobicContact CG2-CD1 3.92Å; I375-I379 HydrophobicContact CG2-CG1 4.33Å; I375-I379 WeakPolarHBondContact O-CG1 3.28Å; I375-I379 PolarHBondContact O-N 2.9Å; D376-I379 PolarHBondContact O-N 3.45Å; I379-T381 VanDerWaalsContact C-N 3.3Å; I379-T381 PolarHBondContact O-N 3.41Å; I379-L382 CarbonylContact O-C 3.48Å; I379-L382 PolarHBondContact O-N 3.31Å; I379-L382 VanDerWaalsContact O-N 3.11Å; I379-L383 HydrophobicContact CG2-CD1 3.83Å; I379-L383 HydrophobicContact CG2-CG 4.22Å; I379-L383 WeakPolarHBondContact O-CB 3.3Å; I379-L383 WeakPolarHBondContact O-CG 3.49Å; I379-L383 PolarHBondContact O-N 2.88Å
380V73Confident76.8Confident77 Ų77101.9 Ų101.947%0.46750%0.504SS..Hα-helixtrans-58-46.6177.5171.40000110.3D376 L382 L383 E384D376-V380 WeakPolarHBondContact O-CG2 3.44Å; D376-V380 PolarHBondContact O-N 2.94Å; V380-L382 VanDerWaalsContact C-N 3.27Å; V380-L382 PolarHBondContact O-N 3.14Å; V380-L383 PolarHBondContact O-N 2.75Å; V380-L383 VanDerWaalsContact O-N 3.15Å; V380-E384 WeakPolarHBondContact O-CG 3.35Å; V380-E384 PolarHBondContact O-N 2.86Å
381T81.2Confident76.4Confident67 Ų67100.6 Ų100.641%0.41151%0.508SS..Hα-helixtrans-59.2-38.6177-54.80000112Q377 E378 I379 K385Q377-T381 PolarHBondContact O-N 3.01Å; Q377-T381 VanDerWaalsContact O-N 3.09Å; Q377-T381 PolarHBondContact O-OG1 3.47Å; E378-T381 WeakPolarHBondContact O-CB 3.42Å; E378-T381 PolarHBondContact O-N 2.98Å; I379-T381 VanDerWaalsContact C-N 3.3Å; I379-T381 PolarHBondContact O-N 3.41Å; T381-K385 WeakPolarHBondContact O-CG 3.31Å; T381-K385 PolarHBondContact O-N 3.02Å
382L84Confident76.3Confident111 Ų111100 Ų10058%0.58151%0.508SS*.Hα-helixtrans-72.1-38177-71.8170.7000112.4E378 I379 V380 K385 R386E378-L382 VanDerWaalsContact O-CG 3.29Å; E378-L382 WeakPolarHBondContact O-CG 3.02Å; E378-L382 PolarHBondContact O-N 2.88Å; I379-L382 CarbonylContact O-C 3.48Å; I379-L382 PolarHBondContact O-N 3.31Å; I379-L382 VanDerWaalsContact O-N 3.11Å; V380-L382 VanDerWaalsContact C-N 3.27Å; V380-L382 PolarHBondContact O-N 3.14Å; L382-K385 PolarHBondContact O-N 3.45Å; L382-R386 WeakPolarHBondContact O-CB 3.42Å; L382-R386 PolarHBondContact O-N 3.15Å
383L68.3Low75.8Confident89 Ų8998.2 Ų98.247%0.46650%0.501SS..Hα-helixtrans-64.4-43.4175.7-76.5172.1000111.3I379 V380 K385 R386 M387I379-L383 HydrophobicContact CG2-CD1 3.83Å; I379-L383 HydrophobicContact CG2-CG 4.22Å; I379-L383 WeakPolarHBondContact O-CB 3.3Å; I379-L383 WeakPolarHBondContact O-CG 3.49Å; I379-L383 PolarHBondContact O-N 2.88Å; V380-L383 PolarHBondContact O-N 2.75Å; V380-L383 VanDerWaalsContact O-N 3.15Å; L383-K385 PolarHBondContact O-N 3.2Å; L383-R386 WeakPolarHBondContact O-CB 3.49Å; L383-R386 PolarHBondContact O-N 2.98Å; L383-M387 WeakPolarHBondContact O-CG 3.49Å; L383-M387 PolarHBondContact O-N 3.26Å
384E73.4Confident75.2Confident124 Ų12497.7 Ų97.758%0.57950%0.501SS*.Hα-helixtrans-60.3-45.5174.4-72.3180161.600111.6V380 R386 M387 S388V380-E384 WeakPolarHBondContact O-CG 3.35Å; V380-E384 PolarHBondContact O-N 2.86Å; E384-R386 VanDerWaalsContact C-N 3.33Å; E384-R386 PolarHBondContact O-N 3.13Å; E384-M387 PolarHBondContact O-N 2.9Å; E384-S388 PolarHBondContact O-N 3.23Å
385K80Confident74.7Confident137 Ų13793.1 Ų93.160%0.59650%0.497SS*.Hα-helixtrans-59.5-42173.7-75.2174.6-177.6175.80112.1T381 L382 L383 S388 A389T381-K385 WeakPolarHBondContact O-CG 3.31Å; T381-K385 PolarHBondContact O-N 3.02Å; L382-K385 PolarHBondContact O-N 3.45Å; L383-K385 PolarHBondContact O-N 3.2Å; K385-S388 PolarHBondContact O-N 2.75Å; K385-A389 PolarHBondContact O-N 3.34Å
386R77.6Confident74Confident159 Ų15996.6 Ų96.660%0.651%0.506SS*.Hα-helixtrans-64.4-43.8176.4-177.4177.2177.6-101.12.6111.2L382 L383 E384 S388 A389 V390L382-R386 WeakPolarHBondContact O-CB 3.42Å; L382-R386 PolarHBondContact O-N 3.15Å; L383-R386 WeakPolarHBondContact O-CB 3.49Å; L383-R386 PolarHBondContact O-N 2.98Å; E384-R386 VanDerWaalsContact C-N 3.33Å; E384-R386 PolarHBondContact O-N 3.13Å; R386-S388 VanDerWaalsContact C-N 3.33Å; R386-S388 PolarHBondContact O-N 2.74Å; R386-A389 PolarHBondContact O-N 3.39Å; R386-V390 HydrophobicContact CG-CG2 4.41Å; R386-V390 VanDerWaalsContact O-CG2 3.28Å; R386-V390 WeakPolarHBondContact O-CG2 3.4Å; R386-V390 PolarHBondContact O-N 3.05Å
387M67.3Low73.3Confident134 Ų13496.2 Ų96.266%0.6650%0.501SS*.Hα-helixtrans-60.6-41.9176.5-75.1177.264.700111.7L383 E384 V390 S391L383-M387 WeakPolarHBondContact O-CG 3.49Å; L383-M387 PolarHBondContact O-N 3.26Å; E384-M387 PolarHBondContact O-N 2.9Å; M387-V390 PolarHBondContact O-N 2.88Å; M387-S391 PolarHBondContact O-N 3.27Å
388S73.5Confident72.7Confident67 Ų6793.5 Ų93.547%0.46950%0.501SS..Hα-helixtrans-58.5-48.9173.2-168.30000111.7E384 K385 R386 V390 S391 E392E384-S388 PolarHBondContact O-N 3.23Å; K385-S388 PolarHBondContact O-N 2.75Å; R386-S388 VanDerWaalsContact C-N 3.33Å; R386-S388 PolarHBondContact O-N 2.74Å; S388-V390 VanDerWaalsContact C-N 3.33Å; S388-V390 PolarHBondContact O-N 3.13Å; S388-S391 WeakPolarHBondContact O-CB 3.26Å; S388-S391 PolarHBondContact O-N 2.72Å; S388-S391 VanDerWaalsContact O-N 3.11Å; S388-E392 PolarHBondContact O-N 2.76Å
389A75.6Confident71.9Confident46 Ų4696.7 Ų96.738%0.3852%0.516SS..Hα-helixtrans-63.2-36.5177.900000112.8K385 R386 S391 E392 V393K385-A389 PolarHBondContact O-N 3.34Å; R386-A389 PolarHBondContact O-N 3.39Å; A389-S391 VanDerWaalsContact C-N 3.34Å; A389-E392 PolarHBondContact O-N 2.73Å; A389-V393 WeakPolarHBondContact O-CG2 3.48Å; A389-V393 PolarHBondContact O-N 2.7Å; A389-V393 VanDerWaalsContact O-N 3.15Å
390V69.2Low71.8Confident73 Ų7395.6 Ų95.644%0.44251%0.514SS..Hα-helixtrans-65.9-38.8174170.30000110.8R386 M387 S388 V393 T394R386-V390 HydrophobicContact CG-CG2 4.41Å; R386-V390 VanDerWaalsContact O-CG2 3.28Å; R386-V390 WeakPolarHBondContact O-CG2 3.4Å; R386-V390 PolarHBondContact O-N 3.05Å; M387-V390 PolarHBondContact O-N 2.88Å; S388-V390 VanDerWaalsContact C-N 3.33Å; S388-V390 PolarHBondContact O-N 3.13Å; V390-V393 PolarHBondContact O-N 3.28Å; V390-T394 WeakPolarHBondContact O-CB 3.34Å; V390-T394 PolarHBondContact O-N 2.81Å; V390-T394 PolarHBondContact O-OG1 2.83Å
391S65.6Low71.1Confident77 Ų77101.1 Ų101.154%0.53853%0.531SS..Hα-helixtrans-63.9-39.7176-161.50000112M387 S388 A389 T394 A395M387-S391 PolarHBondContact O-N 3.27Å; S388-S391 WeakPolarHBondContact O-CB 3.26Å; S388-S391 PolarHBondContact O-N 2.72Å; S388-S391 VanDerWaalsContact O-N 3.11Å; A389-S391 VanDerWaalsContact C-N 3.34Å; S391-T394 WeakPolarHBondContact O-CB 3.42Å; S391-T394 PolarHBondContact O-N 3.09Å; S391-T394 VanDerWaalsContact O-N 3.16Å; S391-A395 PolarHBondContact O-N 2.63Å
392E76Confident69.8Low131 Ų131105.9 Ų105.961%0.61255%0.546SS*.Hα-helixtrans-60.9-45173.6-70171.4-161.300112.1S388 A389 T394 A395 Y396S388-E392 PolarHBondContact O-N 2.76Å; A389-E392 PolarHBondContact O-N 2.73Å; E392-T394 PolarHBondContact O-N 3.15Å; E392-A395 PolarHBondContact O-N 3.04Å; E392-Y396 PolarHBondContact O-N 2.84Å
393V68.1Low68.2Low53 Ų53105.7 Ų105.732%0.32156%0.561SS.*Hα-helixtrans-61.8-37174.8173.30000110.9A389 V390 K397A389-V393 WeakPolarHBondContact O-CG2 3.48Å; A389-V393 PolarHBondContact O-N 2.7Å; A389-V393 VanDerWaalsContact O-N 3.15Å; V390-V393 PolarHBondContact O-N 3.28Å; V393-K397 HydrophobicContact CG1-CD 3.98Å; V393-K397 WeakPolarHBondContact O-CB 3.42Å; V393-K397 WeakPolarHBondContact O-CD 3.46Å; V393-K397 WeakPolarHBondContact O-CG 3.43Å; V393-K397 PolarHBondContact O-N 3.48Å
394T63.1Low67.3Low79 Ų79106.2 Ų106.249%0.48557%0.567SS.*Hα-helixtrans-70.8-39179.3-50.70000111.3V390 S391 E392 K397 A398V390-T394 WeakPolarHBondContact O-CB 3.34Å; V390-T394 PolarHBondContact O-N 2.81Å; V390-T394 PolarHBondContact O-OG1 2.83Å; S391-T394 WeakPolarHBondContact O-CB 3.42Å; S391-T394 PolarHBondContact O-N 3.09Å; S391-T394 VanDerWaalsContact O-N 3.16Å; E392-T394 PolarHBondContact O-N 3.15Å; T394-K397 WeakPolarHBondContact O-CB 3.45Å; T394-K397 PolarHBondContact O-N 2.59Å; T394-A398 PolarHBondContact O-N 3.04Å
395A70.2Confident66.1Low63 Ų63107.3 Ų107.352%0.52158%0.576SS.*Hα-helixtrans-62.5-46.717300000111.8S391 E392 K397 A398 E399S391-A395 PolarHBondContact O-N 2.63Å; E392-A395 PolarHBondContact O-N 3.04Å; A395-K397 VanDerWaalsContact C-N 3.27Å; A395-K397 PolarHBondContact O-N 3.42Å; A395-A398 PolarHBondContact O-N 3.36Å; A395-E399 PolarHBondContact O-N 2.88Å; A395-E399 VanDerWaalsContact O-N 3.15Å
396Y68.3Low65.1Low154 Ų154105.2 Ų105.260%0.60457%0.572SS**Hα-helixtrans-60.2-36.6173.9-178.7-97.1000112.4E392 E399 T400E392-Y396 PolarHBondContact O-N 2.84Å; Y396-E399 PolarHBondContact O-N 2.84Å; Y396-T400 HydrophobicContact CD1-CG2 4.34Å; Y396-T400 HydrophobicContact CE1-CG2 3.9Å; Y396-T400 HydrophobicContact CE2-CG2 4.2Å; Y396-T400 WeakPolarHBondContact O-CB 3.41Å; Y396-T400 WeakPolarHBondContact O-CG2 3.29Å; Y396-T400 PolarHBondContact O-N 3.48Å; Y396-T400 PolarHBondContact O-OG1 2.82Å
397K63.3Low64.2Low71 Ų71101.8 Ų101.831%0.30957%0.569SS.*Hα-helixtrans-70-39176.1-76.4169.1173.9-176.20112.8V393 T394 A395 E399 T400 K401 V404V393-K397 HydrophobicContact CG1-CD 3.98Å; V393-K397 WeakPolarHBondContact O-CB 3.42Å; V393-K397 WeakPolarHBondContact O-CD 3.46Å; V393-K397 WeakPolarHBondContact O-CG 3.43Å; V393-K397 PolarHBondContact O-N 3.48Å; T394-K397 WeakPolarHBondContact O-CB 3.45Å; T394-K397 PolarHBondContact O-N 2.59Å; A395-K397 VanDerWaalsContact C-N 3.27Å; A395-K397 PolarHBondContact O-N 3.42Å; K397-E399 PolarHBondContact O-N 2.99Å; K397-T400 WeakPolarHBondContact CA-OG1 3.12Å; K397-T400 PolarHBondContact O-N 2.97Å; K397-K401 PolarHBondContact O-N 3.09Å; K397-V404 HydrophobicContact CD-CG2 3.94Å
398A61.8Low63.8Low78 Ų7898.6 Ų98.665%0.64556%0.56SS**Hα-helixtrans-61.1-35.7175.100000111.4T394 A395T394-A398 PolarHBondContact O-N 3.04Å; A395-A398 PolarHBondContact O-N 3.36Å
399E72.6Confident63.5Low161 Ų161103 Ų10375%0.75257%0.566SS**Hα-helixtrans-71.9-38.6174.7-163.1172.2-162.800112.5A395 Y396 K397A395-E399 PolarHBondContact O-N 2.88Å; A395-E399 VanDerWaalsContact O-N 3.15Å; Y396-E399 PolarHBondContact O-N 2.84Å; K397-E399 PolarHBondContact O-N 2.99Å
400T75.4Confident62.7Low57 Ų57107 Ų10735%0.3558%0.577SS.*Hα-helixtrans-94.5-8.5-173.454.80000115.9Y396 K397 K402Y396-T400 HydrophobicContact CD1-CG2 4.34Å; Y396-T400 HydrophobicContact CE1-CG2 3.9Å; Y396-T400 HydrophobicContact CE2-CG2 4.2Å; Y396-T400 WeakPolarHBondContact O-CB 3.41Å; Y396-T400 WeakPolarHBondContact O-CG2 3.29Å; Y396-T400 PolarHBondContact O-N 3.48Å; Y396-T400 PolarHBondContact O-OG1 2.82Å; K397-T400 WeakPolarHBondContact CA-OG1 3.12Å; K397-T400 PolarHBondContact O-N 2.97Å; T400-K402 PolarHBondContact O-N 3.31Å; T400-K402 VanDerWaalsContact O-N 3.11Å
401K59.8Low62.1Low193 Ų193109 Ų10984%0.83958%0.581SS**  trans51.228.6178.2-64.8-173.3178.8-179.60115.9K397K397-K401 PolarHBondContact O-N 3.09Å
402K52.2Low62.3Low167 Ų167107.9 Ų107.973%0.72658%0.577SS**  trans-86.2136.2173.1-80.5-176.7175.5179.30111.7T400T400-K402 PolarHBondContact O-N 3.31Å; T400-K402 VanDerWaalsContact O-N 3.11Å
403A50.6Low61.9Low107 Ų107105 Ų10588%0.88457%0.568SS**  trans-63141.8-174.500000113.2
404V50.4Low61.6Low99 Ų99108 Ų10860%0.658%0.581SS**SBendtrans-11383.3-167.8-175.20000110.2K397K397-V404 HydrophobicContact CD-CG2 3.94Å
405L47.1Very low61.7Low147 Ų147107.9 Ų107.977%0.7758%0.575SS**  trans-16495.7149.2-117.1143.3000106T407L405-T407 HydrophobicContact CD2-CG2 4.22Å
406D59Low61.7Low94 Ų94112.1 Ų112.150%0.50358%0.582SS.*  trans-111.485.2174.4-176.54.3000106.8S408 R409D406-S408 VanDerWaalsContact CG-OG 3.31Å; D406-S408 PolarHBondContact O-N 2.92Å; D406-S408 VanDerWaalsContact O-N 3.15Å; D406-S408 VanDerWaalsContact OD1-CB 3.31Å; D406-S408 WeakPolarHBondContact OD1-CB 3.5Å; D406-S408 PolarHBondContact OD1-N 3.31Å; D406-S408 PolarHBondContact OD1-OG 2.98Å; D406-S408 PolarHBondContact OD2-OG 3.15Å; D406-R409 HydrophobicContact CB-CB 4.35Å; D406-R409 WeakPolarHBondContact O-CB 3.32Å; D406-R409 PolarHBondContact O-N 3.42Å
407T58.7Low61.6Low87 Ų87108.3 Ų108.353%0.53458%0.575SS.*Hα-helixtrans-53.7-29.9177.540.90000111.6L405 R409 E410 E411L405-T407 HydrophobicContact CD2-CG2 4.22Å; T407-R409 PolarHBondContact O-N 3.49Å; T407-E410 PolarHBondContact O-N 3.48Å; T407-E411 PolarHBondContact O-N 3.25Å
408S60.5Low61.5Low67 Ų67105.1 Ų105.147%0.46956%0.561SS.*Hα-helixtrans-63.3-29.217781.70000112.9D406 A412D406-S408 VanDerWaalsContact CG-OG 3.31Å; D406-S408 PolarHBondContact O-N 2.92Å; D406-S408 VanDerWaalsContact O-N 3.15Å; D406-S408 VanDerWaalsContact OD1-CB 3.31Å; D406-S408 WeakPolarHBondContact OD1-CB 3.5Å; D406-S408 PolarHBondContact OD1-N 3.31Å; D406-S408 PolarHBondContact OD1-OG 2.98Å; D406-S408 PolarHBondContact OD2-OG 3.15Å; S408-A412 WeakPolarHBondContact O-CB 3.27Å; S408-A412 PolarHBondContact O-N 3.03Å
409R65.3Low61.9Low158 Ų158106.5 Ų106.560%0.59656%0.558SS**Hα-helixtrans-78.3-33.4179-173.1162.2173152.2-4112.5D406 T407 A412 V413D406-R409 HydrophobicContact CB-CB 4.35Å; D406-R409 WeakPolarHBondContact O-CB 3.32Å; D406-R409 PolarHBondContact O-N 3.42Å; T407-R409 PolarHBondContact O-N 3.49Å; R409-A412 PolarHBondContact O-N 2.99Å; R409-V413 VanDerWaalsContact O-CG2 3.24Å; R409-V413 WeakPolarHBondContact O-CG2 3.28Å; R409-V413 PolarHBondContact O-N 2.83Å
410E59.1Low61.7Low130 Ų130105.4 Ų105.461%0.60756%0.556SS**Hα-helixtrans-67.2-44.4174.6-71.8-176166.400110.9T407 A412 V413 L414T407-E410 PolarHBondContact O-N 3.48Å; E410-A412 VanDerWaalsContact C-N 3.34Å; E410-A412 PolarHBondContact O-N 3.34Å; E410-V413 PolarHBondContact O-N 3.25Å; E410-L414 PolarHBondContact O-N 3.47Å
411E58Low61.1Low117 Ų117104.7 Ų104.755%0.54755%0.552SS.*Hα-helixtrans-57.9-45.1172.3-74174.517600111.6T407 V413 L414 Q415T407-E411 PolarHBondContact O-N 3.25Å; E411-V413 VanDerWaalsContact C-N 3.32Å; E411-V413 PolarHBondContact O-N 3.05Å; E411-L414 PolarHBondContact O-N 3.04Å; E411-Q415 PolarHBondContact O-N 2.95Å
412A68.4Low61.1Low53 Ų53105.5 Ų105.544%0.43856%0.555SS.*Hα-helixtrans-65.1-32.6177.700000113.5S408 R409 E410 K416S408-A412 WeakPolarHBondContact O-CB 3.27Å; S408-A412 PolarHBondContact O-N 3.03Å; R409-A412 PolarHBondContact O-N 2.99Å; E410-A412 VanDerWaalsContact C-N 3.34Å; E410-A412 PolarHBondContact O-N 3.34Å; A412-K416 PolarHBondContact O-N 3.49Å; A412-K416 VanDerWaalsContact O-N 3.09Å
413V68.6Low61.4Low71 Ų71101.1 Ų101.143%0.4354%0.54SS..Hα-helixtrans-70.6-45.7175.1168.80000110.3R409 E410 E411 Q415 K416 V417R409-V413 VanDerWaalsContact O-CG2 3.24Å; R409-V413 WeakPolarHBondContact O-CG2 3.28Å; R409-V413 PolarHBondContact O-N 2.83Å; E410-V413 PolarHBondContact O-N 3.25Å; E411-V413 VanDerWaalsContact C-N 3.32Å; E411-V413 PolarHBondContact O-N 3.05Å; V413-Q415 VanDerWaalsContact C-N 3.33Å; V413-Q415 PolarHBondContact O-N 3.22Å; V413-K416 PolarHBondContact O-N 3.24Å; V413-V417 HydrophobicContact CG1-CG2 4.5Å; V413-V417 WeakPolarHBondContact O-CG2 3.5Å; V413-V417 PolarHBondContact O-N 3.01Å
414L60.5Low61.8Low114 Ų114103.5 Ų103.560%0.59753%0.533SS*.Hα-helixtrans-59.9-43.7176.4-76.9166.6000111.4E410 E411 V417 S418E410-L414 PolarHBondContact O-N 3.47Å; E411-L414 PolarHBondContact O-N 3.04Å; L414-V417 PolarHBondContact O-N 3.13Å; L414-S418 PolarHBondContact O-N 3.41Å
415Q66.5Low61.8Low77 Ų77104.5 Ų104.536%0.3654%0.535SS..Hα-helixtrans-62.1-46.4176.8-169.761.850.400111.6E411 V413 V417 S418 D419E411-Q415 PolarHBondContact O-N 2.95Å; V413-Q415 VanDerWaalsContact C-N 3.33Å; V413-Q415 PolarHBondContact O-N 3.22Å; Q415-V417 VanDerWaalsContact C-N 3.29Å; Q415-V417 PolarHBondContact O-N 3.3Å; Q415-S418 WeakPolarHBondContact O-CB 3.48Å; Q415-S418 PolarHBondContact O-N 3.43Å; Q415-S418 VanDerWaalsContact O-N 3.16Å; Q415-D419 PolarHBondContact NE2-OD1 2.8Å; Q415-D419 PolarHBondContact O-N 3.01Å
416K70.6Confident61.7Low152 Ų152104.4 Ų104.466%0.66153%0.525SS*.Hα-helixtrans-59.6-38.9175.5-89.2-174.6175.6179.60113.1A412 V413 L420A412-K416 PolarHBondContact O-N 3.49Å; A412-K416 VanDerWaalsContact O-N 3.09Å; V413-K416 PolarHBondContact O-N 3.24Å; K416-L420 WeakPolarHBondContact O-CD1 3.33Å; K416-L420 VanDerWaalsContact O-CG 3.23Å; K416-L420 WeakPolarHBondContact O-CG 3.41Å; K416-L420 PolarHBondContact O-N 3.39Å
417V66.4Low61.4Low75 Ų75102.7 Ų102.746%0.45551%0.514SS..Hα-helixtrans-65.5-46.3176.7171.90000109.4V413 L414 Q415 D419 L420 V421V413-V417 HydrophobicContact CG1-CG2 4.5Å; V413-V417 WeakPolarHBondContact O-CG2 3.5Å; V413-V417 PolarHBondContact O-N 3.01Å; L414-V417 PolarHBondContact O-N 3.13Å; Q415-V417 VanDerWaalsContact C-N 3.29Å; Q415-V417 PolarHBondContact O-N 3.3Å; V417-D419 VanDerWaalsContact C-N 3.35Å; V417-D419 PolarHBondContact O-N 3.46Å; V417-L420 PolarHBondContact O-N 2.86Å; V417-L420 VanDerWaalsContact O-N 3.14Å; V417-V421 WeakPolarHBondContact O-CG2 3.32Å; V417-V421 PolarHBondContact O-N 2.83Å
418S59.5Low61.2Low3 Ų3103.6 Ų103.62%0.02152%0.516CS..Hα-helixtrans-56.9-46.8176.2-157.50000111.9L414 Q415 L420 V421 H427L414-S418 PolarHBondContact O-N 3.41Å; Q415-S418 WeakPolarHBondContact O-CB 3.48Å; Q415-S418 PolarHBondContact O-N 3.43Å; Q415-S418 VanDerWaalsContact O-N 3.16Å; S418-L420 PolarHBondContact O-N 3.27Å; S418-V421 PolarHBondContact O-N 2.87Å; S418-V421 VanDerWaalsContact O-N 3.11Å; S418-H427 PolarHBondContact O-CE1 3.42Å; S418-H427 PolarHBondContact O-ND1 3.41Å; S418-H427 VanDerWaalsContact O-ND1 3.17Å; S418-H427 PolarHBondContact OG-CE1 3.45Å; S418-H427 PolarHBondContact OG-ND1 3.02Å
419D70.1Confident60.8Low108 Ų108107.1 Ų107.158%0.57853%0.527SS*.Hα-helixtrans-63.4-24.3179.9-61.3-16.7000113.3Q415 V417Q415-D419 PolarHBondContact NE2-OD1 2.8Å; Q415-D419 PolarHBondContact O-N 3.01Å; V417-D419 VanDerWaalsContact C-N 3.35Å; V417-D419 PolarHBondContact O-N 3.46Å
420L70.5Confident60.4Low138 Ų138102.3 Ų102.372%0.72351%0.512SS*.Hα-helixtrans-87-19.6178.4-73169.1000113.1K416 V417 S418 K422K416-L420 WeakPolarHBondContact O-CD1 3.33Å; K416-L420 VanDerWaalsContact O-CG 3.23Å; K416-L420 WeakPolarHBondContact O-CG 3.41Å; K416-L420 PolarHBondContact O-N 3.39Å; V417-L420 PolarHBondContact O-N 2.86Å; V417-L420 VanDerWaalsContact O-N 3.14Å; S418-L420 PolarHBondContact O-N 3.27Å; L420-K422 PolarHBondContact O-N 3.27Å; L420-K422 VanDerWaalsContact O-N 3.16Å
421V61Low60.9Low42 Ų4298.6 Ų98.626%0.25550%0.496SS..  trans-75.6103.9179.4171.70000108.7V417 S418 D423 I430V417-V421 WeakPolarHBondContact O-CG2 3.32Å; V417-V421 PolarHBondContact O-N 2.83Å; S418-V421 PolarHBondContact O-N 2.87Å; S418-V421 VanDerWaalsContact O-N 3.11Å; V421-D423 VanDerWaalsContact C-N 3.35Å; V421-I430 HydrophobicContact CG2-CD1 4.37Å
422K60Low61.7Low209 Ų20993.3 Ų93.391%0.90947%0.474SS*.  trans-76.3-19.8-177.9-65.6-175.2179.6-179.20114.4L420L420-K422 PolarHBondContact O-N 3.27Å; L420-K422 VanDerWaalsContact O-N 3.16Å
423D59.1Low62Low75 Ų7595.7 Ų95.740%0.40148%0.479SS..  trans-92.7114.4-176.6-179.8-23.1000109.3V421 N425 Y426 H427V421-D423 VanDerWaalsContact C-N 3.35Å; D423-N425 PolarHBondContact O-N 3.25Å; D423-N425 VanDerWaalsContact O-N 3.15Å; D423-N425 WeakPolarHBondContact OD1-CB 3.47Å; D423-N425 PolarHBondContact OD1-N 3.47Å; D423-Y426 HydrophobicContact CB-CD2 3.73Å; D423-Y426 HydrophobicContact CB-CE2 4.19Å; D423-Y426 PolarHBondContact O-N 3.05Å; D423-Y426 VanDerWaalsContact O-N 3.16Å; D423-Y426 WeakPolarHBondContact OD2-CE2 3.36Å; D423-H427 PolarHBondContact O-N 3.44Å
424E58.4Low62.4Low157 Ų15799.2 Ų99.273%0.73448%0.484SS*.Hα-helixtrans-57.4-28.2-174.4-70.7-174.2161.700113.3Y426 H427 N428E424-Y426 VanDerWaalsContact C-N 3.33Å; E424-Y426 PolarHBondContact O-N 2.74Å; E424-H427 WeakPolarHBondContact O-CB 3.34Å; E424-H427 PolarHBondContact O-N 2.91Å; E424-N428 PolarHBondContact O-N 3.24Å; E424-N428 VanDerWaalsContact O-N 3.08Å; E424-N428 PolarHBondContact O-ND2 3.31Å
425N49.8Very low63.7Low121 Ų12195.5 Ų95.565%0.64746%0.462SS*.Hα-helixtrans-64.6-39.2179.9-70.9-47.3000111.9D423 M429D423-N425 PolarHBondContact O-N 3.25Å; D423-N425 VanDerWaalsContact O-N 3.15Å; D423-N425 WeakPolarHBondContact OD1-CB 3.47Å; D423-N425 PolarHBondContact OD1-N 3.47Å; N425-M429 PolarHBondContact O-N 3.46Å
426Y46.5Very low64.6Low144 Ų14493.5 Ų93.557%0.56545%0.452SS*.Hα-helixtrans-75.7-31.7177.9-63.6-80.1000111.7D423 E424 N428 M429 I430D423-Y426 HydrophobicContact CB-CD2 3.73Å; D423-Y426 HydrophobicContact CB-CE2 4.19Å; D423-Y426 PolarHBondContact O-N 3.05Å; D423-Y426 VanDerWaalsContact O-N 3.16Å; D423-Y426 WeakPolarHBondContact OD2-CE2 3.36Å; E424-Y426 VanDerWaalsContact C-N 3.33Å; E424-Y426 PolarHBondContact O-N 2.74Å; Y426-N428 VanDerWaalsContact C-N 3.33Å; Y426-N428 PolarHBondContact O-N 3.46Å; Y426-M429 PolarHBondContact O-N 2.97Å; Y426-I430 WeakPolarHBondContact O-CG1 3.35Å; Y426-I430 PolarHBondContact O-N 3.32Å; Y426-I430 VanDerWaalsContact O-N 3.16Å
427H51.9Low65.2Low58 Ų5889 Ų8927%0.26944%0.444SS..Hα-helixtrans-59.6-46.1173.7-144.688.9000110.8S418 D423 E424 M429 I430 D431S418-H427 PolarHBondContact O-CE1 3.42Å; S418-H427 PolarHBondContact O-ND1 3.41Å; S418-H427 VanDerWaalsContact O-ND1 3.17Å; S418-H427 PolarHBondContact OG-CE1 3.45Å; S418-H427 PolarHBondContact OG-ND1 3.02Å; D423-H427 PolarHBondContact O-N 3.44Å; E424-H427 WeakPolarHBondContact O-CB 3.34Å; E424-H427 PolarHBondContact O-N 2.91Å; H427-M429 VanDerWaalsContact C-N 3.31Å; H427-M429 PolarHBondContact O-N 2.6Å; H427-I430 PolarHBondContact O-N 3Å; H427-D431 IonicContact CD2-OD2 3.15Å; H427-D431 PolarHBondContact O-N 3.48Å
428N55.5Low66.3Low107 Ų10788.7 Ų88.757%0.57244%0.438SS*.Hα-helixtrans-61.2-35.6177.4-72-33.7000113.5E424 Y426 G432E424-N428 PolarHBondContact O-N 3.24Å; E424-N428 VanDerWaalsContact O-N 3.08Å; E424-N428 PolarHBondContact O-ND2 3.31Å; Y426-N428 VanDerWaalsContact C-N 3.33Å; Y426-N428 PolarHBondContact O-N 3.46Å; N428-G432 PolarHBondContact O-N 2.93Å
429M51Low67.7Low141 Ų14188.6 Ų88.670%0.69544%0.437SS*.Hα-helixtrans-66.9-47.4176.4-105.1-177.5160.500111.8N425 Y426 H427 D431 G432 D433N425-M429 PolarHBondContact O-N 3.46Å; Y426-M429 PolarHBondContact O-N 2.97Å; H427-M429 VanDerWaalsContact C-N 3.31Å; H427-M429 PolarHBondContact O-N 2.6Å; M429-D431 PolarHBondContact O-N 2.89Å; M429-G432 PolarHBondContact O-N 3.32Å; M429-D433 PolarHBondContact O-N 2.97Å; M429-D433 VanDerWaalsContact O-N 3.15Å
430I57.2Low68.6Low56 Ų5684.7 Ų84.729%0.28742%0.416SS..Hα-helixtrans-62.2-44.2179.1-65168.4000110.6V421 Y426 H427 G432 D433 R434V421-I430 HydrophobicContact CG2-CD1 4.37Å; Y426-I430 WeakPolarHBondContact O-CG1 3.35Å; Y426-I430 PolarHBondContact O-N 3.32Å; Y426-I430 VanDerWaalsContact O-N 3.16Å; H427-I430 PolarHBondContact O-N 3Å; I430-G432 VanDerWaalsContact C-N 3.29Å; I430-G432 PolarHBondContact O-N 3.17Å; I430-D433 PolarHBondContact O-N 2.67Å; I430-R434 PolarHBondContact O-N 3.44Å
431D69.1Low69.4Low52 Ų5282.4 Ų82.428%0.27840%0.4SS..Hα-helixtrans-65.1-33.5177.5-78-20.1000112.5H427 M429 R435H427-D431 IonicContact CD2-OD2 3.15Å; H427-D431 PolarHBondContact O-N 3.48Å; M429-D431 PolarHBondContact O-N 2.89Å; D431-R435 WeakPolarHBondContact O-CB 3.42Å; D431-R435 PolarHBondContact O-N 2.93Å
432G74.3Confident70.8Confident7 Ų781.7 Ų81.77%0.07240%0.399CS..Hα-helixtrans-65.9-39.9174.900000113.4N428 M429 I430 K436N428-G432 PolarHBondContact O-N 2.93Å; M429-G432 PolarHBondContact O-N 3.32Å; I430-G432 VanDerWaalsContact C-N 3.29Å; I430-G432 PolarHBondContact O-N 3.17Å; G432-K436 VanDerWaalsContact C-NZ 3.32Å; G432-K436 WeakPolarHBondContact O-CG 3.25Å; G432-K436 PolarHBondContact O-N 3.01Å; G432-K436 VanDerWaalsContact O-N 3.09Å; G432-K436 PolarHBondContact O-NZ 3.46Å
433D74.9Confident72.3Confident103 Ų10371.8 Ų71.855%0.55136%0.355SS*.Hα-helixtrans-70.5-42.4176.2-74.5-14.1000111.8M429 I430 R435 K436 A437M429-D433 PolarHBondContact O-N 2.97Å; M429-D433 VanDerWaalsContact O-N 3.15Å; I430-D433 PolarHBondContact O-N 2.67Å; D433-R435 VanDerWaalsContact C-N 3.32Å; D433-R435 PolarHBondContact O-N 2.87Å; D433-K436 PolarHBondContact O-N 3.28Å; D433-K436 WeakPolarHBondContact OD1-CE 3.44Å; D433-K436 IonicContact OD1-NZ 3.54Å; D433-K436 PolarHBondContact OD1-NZ 2.93Å; D433-A437 PolarHBondContact O-N 2.9Å; D433-A437 VanDerWaalsContact O-N 3.08Å
434R78.1Confident73.5Confident145 Ų14572.8 Ų72.855%0.54736%0.358SS..Hα-helixtrans-59.1-44.7174.2-166-179.4107.6175.23.4111.6I430 A437 E438I430-R434 PolarHBondContact O-N 3.44Å; R434-A437 PolarHBondContact O-N 3.49Å; R434-E438 PolarHBondContact O-N 2.75Å
435R87.5Confident74.8Confident35 Ų3572.1 Ų72.113%0.13236%0.355CS..Hα-helixtrans-63.8-42.7179.2-172.8166.962.5-106.6-13.4112.3D431 D433 A437 E438 I439 F459 I465 D469D431-R435 WeakPolarHBondContact O-CB 3.42Å; D431-R435 PolarHBondContact O-N 2.93Å; D433-R435 VanDerWaalsContact C-N 3.32Å; D433-R435 PolarHBondContact O-N 2.87Å; R435-A437 VanDerWaalsContact C-N 3.34Å; R435-A437 PolarHBondContact O-N 3.14Å; R435-E438 PolarHBondContact O-N 2.81Å; R435-I439 HydrophobicContact CG-CD1 4.04Å; R435-I439 VanDerWaalsContact O-CG1 3.27Å; R435-I439 WeakPolarHBondContact O-CG1 3.36Å; R435-I439 PolarHBondContact O-N 3.46Å; R435-F459 HydrophobicContact CG-CB 4.22Å; R435-F459 HydrophobicContact CG-CD1 4.01Å; R435-F459 HydrophobicContact CG-CD2 3.58Å; R435-F459 HydrophobicContact CG-CE1 4.28Å; R435-F459 HydrophobicContact CG-CE2 3.88Å; R435-F459 HydrophobicContact CG-CG 3.67Å; R435-F459 HydrophobicContact CG-CZ 4.22Å; R435-I465 VanDerWaalsContact CZ-CG2 3.5Å; R435-D469 IonicContact CZ-OD2 3.42Å; R435-D469 IonicContact NE-OD2 2.7Å; R435-D469 PolarHBondContact NE-OD2 3.28Å; R435-D469 IonicContact NH2-OD1 2.87Å; R435-D469 IonicContact NH2-OD2 3.84Å; R435-D469 PolarHBondContact NH2-OD2 3.13Å
436K86.1Confident76.3Confident35 Ų3567.2 Ų67.215%0.15233%0.331CS..Hα-helixtrans-58.7-44.5174.1-78.4-172.1-56.9-68.70112.1G432 D433 I439 L440 D469 L472 L473G432-K436 VanDerWaalsContact C-NZ 3.32Å; G432-K436 WeakPolarHBondContact O-CG 3.25Å; G432-K436 PolarHBondContact O-N 3.01Å; G432-K436 VanDerWaalsContact O-N 3.09Å; G432-K436 PolarHBondContact O-NZ 3.46Å; D433-K436 PolarHBondContact O-N 3.28Å; D433-K436 WeakPolarHBondContact OD1-CE 3.44Å; D433-K436 IonicContact OD1-NZ 3.54Å; D433-K436 PolarHBondContact OD1-NZ 2.93Å; K436-I439 PolarHBondContact O-N 3.01Å; K436-L440 PolarHBondContact O-N 3.44Å; K436-D469 HydrophobicContact CD-CB 4.48Å; K436-D469 HydrophobicContact CG-CB 3.75Å; K436-L472 HydrophobicContact CD-CB 4.02Å; K436-L472 HydrophobicContact CD-CD1 4.3Å; K436-L473 HydrophobicContact CB-CD1 4.49Å; K436-L473 HydrophobicContact CB-CD2 4.12Å; K436-L473 HydrophobicContact CB-CG 4.31Å; K436-L473 HydrophobicContact CD-CG 4.46Å; K436-L473 HydrophobicContact CG-CG 4.32Å
437A83.3Confident77.8Confident59 Ų5968.5 Ų68.549%0.48834%0.342SS..Hα-helixtrans-63.2-43.3178.300000112.4D433 R434 R435 L440 K441D433-A437 PolarHBondContact O-N 2.9Å; D433-A437 VanDerWaalsContact O-N 3.08Å; R434-A437 PolarHBondContact O-N 3.49Å; R435-A437 VanDerWaalsContact C-N 3.34Å; R435-A437 PolarHBondContact O-N 3.14Å; A437-L440 PolarHBondContact O-N 3.28Å; A437-K441 WeakPolarHBondContact O-CB 3.25Å; A437-K441 PolarHBondContact O-N 3.21Å
438E88.1Confident79.2Confident68 Ų6873.6 Ų73.632%0.31836%0.363SS..Hα-helixtrans-67.9-39.2177.2-72.4-63.5140.100112.5R434 R435 L440 K441 A442 F459R434-E438 PolarHBondContact O-N 2.75Å; R435-E438 PolarHBondContact O-N 2.81Å; E438-L440 PolarHBondContact O-N 3.45Å; E438-K441 PolarHBondContact O-N 3.32Å; E438-K441 IonicContact OE1-NZ 2.89Å; E438-A442 WeakPolarHBondContact O-CB 3.37Å; E438-A442 PolarHBondContact O-N 3.18Å; E438-F459 HydrophobicContact CB-CE1 3.78Å; E438-F459 HydrophobicContact CB-CZ 3.75Å; E438-F459 HydrophobicContact CG-CE1 4.47Å
439I89.7Confident80.5Confident0 Ų070.7 Ų70.70%035%0.35CS..Hα-helixtrans-57.6-50.1172.6-71.8166.7000110.3R435 K436 K441 A442 L443 F455 F459 V466 D469 V470 L473R435-I439 HydrophobicContact CG-CD1 4.04Å; R435-I439 VanDerWaalsContact O-CG1 3.27Å; R435-I439 WeakPolarHBondContact O-CG1 3.36Å; R435-I439 PolarHBondContact O-N 3.46Å; K436-I439 PolarHBondContact O-N 3.01Å; I439-K441 PolarHBondContact O-N 3.4Å; I439-A442 PolarHBondContact O-N 3.06Å; I439-L443 HydrophobicContact CG2-CD1 3.91Å; I439-L443 HydrophobicContact CG2-CG 4.42Å; I439-L443 VanDerWaalsContact O-CG 3.32Å; I439-L443 WeakPolarHBondContact O-CG 3.45Å; I439-L443 PolarHBondContact O-N 3.12Å; I439-F455 HydrophobicContact CG1-CD1 4.14Å; I439-F455 HydrophobicContact CG1-CE1 4.3Å; I439-F455 HydrophobicContact CG1-CG 4.26Å; I439-F455 HydrophobicContact CG2-CE2 4.14Å; I439-F455 HydrophobicContact CG2-CZ 4.16Å; I439-F459 HydrophobicContact CD1-CE2 4.15Å; I439-F459 HydrophobicContact CG1-CD2 4.47Å; I439-F459 HydrophobicContact CG1-CE2 3.52Å; I439-F459 HydrophobicContact CG1-CZ 4.03Å; I439-V466 HydrophobicContact CD1-CG1 4.12Å; I439-D469 HydrophobicContact CD1-CB 4.04Å; I439-V470 HydrophobicContact CG2-CG2 4.1Å; I439-L473 HydrophobicContact CB-CD1 4.31Å; I439-L473 HydrophobicContact CG2-CD1 3.94Å
440L88.6Confident82.3Confident26 Ų2665.9 Ų65.914%0.13633%0.327CS..Hα-helixtrans-61.7-45-178.6-177.262000111.4K436 A437 E438 A442 L443 Q444 L473 E478 L489K436-L440 PolarHBondContact O-N 3.44Å; A437-L440 PolarHBondContact O-N 3.28Å; E438-L440 PolarHBondContact O-N 3.45Å; L440-A442 PolarHBondContact O-N 2.76Å; L440-L443 PolarHBondContact O-N 2.82Å; L440-Q444 WeakPolarHBondContact O-CG 3.33Å; L440-Q444 PolarHBondContact O-N 3.28Å; L440-L473 HydrophobicContact CB-CD1 4.46Å; L440-L473 HydrophobicContact CB-CD2 4.41Å; L440-E478 HydrophobicContact CD1-CB 4.22Å; L440-E478 HydrophobicContact CD1-CG 3.89Å; L440-E478 HydrophobicContact CD2-CG 4.12Å; L440-E478 WeakPolarHBondContact CD2-OE1 3.48Å; L440-L489 HydrophobicContact CD1-CD1 4.21Å
441K88.2Confident83.9Confident91 Ų9164.8 Ų64.840%0.39633%0.325SS..Hα-helixtrans-60-43.6177.2-175.4-177.3177.6-1730112.1A437 E438 I439 Q444 Q445A437-K441 WeakPolarHBondContact O-CB 3.25Å; A437-K441 PolarHBondContact O-N 3.21Å; E438-K441 PolarHBondContact O-N 3.32Å; E438-K441 IonicContact OE1-NZ 2.89Å; I439-K441 PolarHBondContact O-N 3.4Å; K441-Q444 PolarHBondContact O-N 3.31Å; K441-Q445 WeakPolarHBondContact O-CG 3.35Å; K441-Q445 PolarHBondContact O-N 3.37Å
442A89.7Confident84.6Confident27 Ų2762.6 Ų62.622%0.22331%0.314CS..Hα-helixtrans-63.9-42.4176.200000111.8E438 I439 L440 Q445 A446 I450 F455E438-A442 WeakPolarHBondContact O-CB 3.37Å; E438-A442 PolarHBondContact O-N 3.18Å; I439-A442 PolarHBondContact O-N 3.06Å; L440-A442 PolarHBondContact O-N 2.76Å; A442-Q445 PolarHBondContact O-N 3.15Å; A442-A446 WeakPolarHBondContact O-CB 3.47Å; A442-A446 PolarHBondContact O-N 3.33Å; A442-I450 HydrophobicContact CB-CD1 4.16Å; A442-F455 HydrophobicContact CB-CE1 3.67Å; A442-F455 HydrophobicContact CB-CZ 3.94Å
443L90.5Very high85.2Confident0 Ų066.3 Ų66.30%034%0.335CS..Hα-helixtrans-67-35.7177.7-69.4175.9000112.9I439 L440 Q445 A446 I450 F455 I480 Y487I439-L443 HydrophobicContact CG2-CD1 3.91Å; I439-L443 HydrophobicContact CG2-CG 4.42Å; I439-L443 VanDerWaalsContact O-CG 3.32Å; I439-L443 WeakPolarHBondContact O-CG 3.45Å; I439-L443 PolarHBondContact O-N 3.12Å; L440-L443 PolarHBondContact O-N 2.82Å; L443-Q445 VanDerWaalsContact C-N 3.27Å; L443-Q445 PolarHBondContact O-N 3.28Å; L443-A446 PolarHBondContact O-N 2.92Å; L443-I450 HydrophobicContact CD2-CB 4.41Å; L443-I450 HydrophobicContact CD2-CD1 4.49Å; L443-F455 HydrophobicContact CD2-CE2 4.15Å; L443-F455 HydrophobicContact CD2-CZ 4.16Å; L443-F455 HydrophobicContact CG-CE2 4.39Å; L443-F455 HydrophobicContact CG-CZ 4.15Å; L443-I480 HydrophobicContact CD1-CD1 3.88Å; L443-I480 HydrophobicContact CD1-CG1 4.04Å; L443-I480 HydrophobicContact CD1-CG2 3.83Å; L443-Y487 VanDerWaalsContact CD2-O 3.26Å; L443-Y487 WeakPolarHBondContact CD2-O 3.39Å
444Q85.5Confident85.8Confident96 Ų9664.4 Ų64.445%0.44933%0.33SS..Hα-helixtrans-62.8-35.3174.6-76172.3-11.200112.1L440 K441 L489 R491L440-Q444 WeakPolarHBondContact O-CG 3.33Å; L440-Q444 PolarHBondContact O-N 3.28Å; K441-Q444 PolarHBondContact O-N 3.31Å; Q444-L489 HydrophobicContact CG-CD2 3.98Å; Q444-R491 PolarHBondContact O-NH2 3.16Å
445Q85.2Confident86.5Confident144 Ų14457.5 Ų57.567%0.67330%0.304SS*.Hα-helixtrans-88.6-14.7-178.6-64.8176.710.700113.6K441 A442 L443K441-Q445 WeakPolarHBondContact O-CG 3.35Å; K441-Q445 PolarHBondContact O-N 3.37Å; A442-Q445 PolarHBondContact O-N 3.15Å; L443-Q445 VanDerWaalsContact C-N 3.27Å; L443-Q445 PolarHBondContact O-N 3.28Å
446A81.7Confident86.4Confident18 Ų1856.2 Ų56.215%0.14930%0.301CS..  trans-80.9132.2-176.500000112.3A442 L443 I450A442-A446 WeakPolarHBondContact O-CB 3.47Å; A442-A446 PolarHBondContact O-N 3.33Å; L443-A446 PolarHBondContact O-N 2.92Å; A446-I450 HydrophobicContact CB-CD1 3.74Å; A446-I450 HydrophobicContact CB-CG1 4.03Å
447E78.2Confident86.4Confident171 Ų17163.4 Ų63.480%0.79933%0.332SS*.SBendtrans-90-19.4167.1-67.1-175.6167.500112.6
448K80.1Confident86.5Confident165 Ų16567 Ų6772%0.71734%0.338SS*.SBendtrans-120.9149.5-178-64.6-178.6-178.6179.70110.2I450K448-I450 PolarHBondContact O-N 3Å
449P84.4Confident86.5Confident46 Ų4666.3 Ų66.330%0.29934%0.335SS..PPolyproline II helixtrans-57.5134.6-180-24.332.9000112.6T483 R485 Y487 L488P449-T483 HydrophobicContact CG-CG2 4.38Å; P449-R485 HydrophobicContact CB-CB 4.22Å; P449-Y487 CarbonylContact C-O 3.53Å; P449-Y487 WeakPolarHBondContact CA-O 3.32Å; P449-L488 HydrophobicContact CG-CB 4.45Å
450I88.5Confident86.3Confident39 Ų3969.7 Ų69.720%0.237%0.369CS..BIsolated β-bridgetrans-99.8122175.7-58.3176.9000109.1A442 L443 A446 K448 F455 G486 Y487A442-I450 HydrophobicContact CB-CD1 4.16Å; L443-I450 HydrophobicContact CD2-CB 4.41Å; L443-I450 HydrophobicContact CD2-CD1 4.49Å; A446-I450 HydrophobicContact CB-CD1 3.74Å; A446-I450 HydrophobicContact CB-CG1 4.03Å; K448-I450 PolarHBondContact O-N 3Å; I450-F455 HydrophobicContact CB-CE2 3.8Å; I450-F455 HydrophobicContact CB-CZ 3.93Å; I450-F455 HydrophobicContact CD1-CE1 4.39Å; I450-F455 HydrophobicContact CD1-CZ 3.88Å; I450-F455 HydrophobicContact CG2-CD1 4.32Å; I450-F455 HydrophobicContact CG2-CD2 3.85Å; I450-F455 HydrophobicContact CG2-CE1 4.02Å; I450-F455 HydrophobicContact CG2-CE2 3.51Å; I450-F455 HydrophobicContact CG2-CG 4.25Å; I450-F455 HydrophobicContact CG2-CZ 3.61Å; I450-G486 CarbonylContact O-C 3.51Å; I450-G486 VanDerWaalsContact O-CA 3.29Å; I450-G486 WeakPolarHBondContact O-CA 3.27Å; I450-Y487 PolarHBondContact N-O 2.8Å; I450-Y487 PolarHBondContact O-N 2.81Å
451S89.7Confident86.2Confident34 Ų3470.2 Ų70.224%0.23837%0.373CS..PPolyproline II helixtrans-66.8144.2-179.888.70000112T453 S454 F455 R485S451-T453 PolarHBondContact O-N 3.4Å; S451-T453 VanDerWaalsContact O-N 3.17Å; S451-T453 PolarHBondContact OG-N 3.31Å; S451-S454 WeakPolarHBondContact O-CB 3.38Å; S451-S454 PolarHBondContact O-N 3.41Å; S451-S454 PolarHBondContact OG-N 3.43Å; S451-S454 PolarHBondContact OG-OG 3.33Å; S451-F455 PolarHBondContact O-N 2.96Å; S451-R485 WeakPolarHBondContact CB-O 3.42Å
452A84.9Confident85.8Confident6 Ų668.9 Ų68.95%0.0538%0.375CS..Hα-helixtrans-57.3-30.3173.300000112.4A456 R463 V466 Y487A452-A456 VanDerWaalsContact O-CB 3.25Å; A452-A456 WeakPolarHBondContact O-CB 3.4Å; A452-A456 PolarHBondContact O-N 3.08Å; A452-R463 HydrophobicContact CB-CG 3.79Å; A452-V466 HydrophobicContact CB-CG1 4.29Å; A452-Y487 HydrophobicContact CB-CD2 4.46Å; A452-Y487 HydrophobicContact CB-CE2 3.68Å
453T87.2Confident85.6Confident85 Ų8574.2 Ų74.252%0.52139%0.39SS..Hα-helixtrans-69.5-34.2176.8-50.60000111.9S451 A456 K457S451-T453 PolarHBondContact O-N 3.4Å; S451-T453 VanDerWaalsContact O-N 3.17Å; S451-T453 PolarHBondContact OG-N 3.31Å; T453-A456 PolarHBondContact O-N 3.47Å; T453-K457 WeakPolarHBondContact O-CB 3.37Å; T453-K457 PolarHBondContact O-N 3.04Å
454S87.4Confident85Confident62 Ų6280.4 Ų80.443%0.43442%0.419SS..Hα-helixtrans-64.1-50.6175.1-59.10000110.5S451 A456 K457 E458S451-S454 WeakPolarHBondContact O-CB 3.38Å; S451-S454 PolarHBondContact O-N 3.41Å; S451-S454 PolarHBondContact OG-N 3.43Å; S451-S454 PolarHBondContact OG-OG 3.33Å; S454-A456 VanDerWaalsContact C-N 3.33Å; S454-A456 PolarHBondContact O-N 2.92Å; S454-K457 PolarHBondContact O-N 3.04Å; S454-E458 WeakPolarHBondContact O-CB 3.35Å; S454-E458 PolarHBondContact O-N 2.78Å
455F92.4Very high84.8Confident1 Ų179.4 Ų79.40%0.00442%0.416CS..Hα-helixtrans-59.5-43.4174.1-75.2-51.3000112.1I439 A442 L443 I450 S451 K457 E458 F459 V466I439-F455 HydrophobicContact CG1-CD1 4.14Å; I439-F455 HydrophobicContact CG1-CE1 4.3Å; I439-F455 HydrophobicContact CG1-CG 4.26Å; I439-F455 HydrophobicContact CG2-CE2 4.14Å; I439-F455 HydrophobicContact CG2-CZ 4.16Å; A442-F455 HydrophobicContact CB-CE1 3.67Å; A442-F455 HydrophobicContact CB-CZ 3.94Å; L443-F455 HydrophobicContact CD2-CE2 4.15Å; L443-F455 HydrophobicContact CD2-CZ 4.16Å; L443-F455 HydrophobicContact CG-CE2 4.39Å; L443-F455 HydrophobicContact CG-CZ 4.15Å; I450-F455 HydrophobicContact CB-CE2 3.8Å; I450-F455 HydrophobicContact CB-CZ 3.93Å; I450-F455 HydrophobicContact CD1-CE1 4.39Å; I450-F455 HydrophobicContact CD1-CZ 3.88Å; I450-F455 HydrophobicContact CG2-CD1 4.32Å; I450-F455 HydrophobicContact CG2-CD2 3.85Å; I450-F455 HydrophobicContact CG2-CE1 4.02Å; I450-F455 HydrophobicContact CG2-CE2 3.51Å; I450-F455 HydrophobicContact CG2-CG 4.25Å; I450-F455 HydrophobicContact CG2-CZ 3.61Å; S451-F455 PolarHBondContact O-N 2.96Å; F455-K457 VanDerWaalsContact C-N 3.28Å; F455-K457 PolarHBondContact O-N 3.42Å; F455-E458 PolarHBondContact O-N 3.49Å; F455-F459 HydrophobicContact CB-CD2 4.09Å; F455-F459 HydrophobicContact CB-CE2 3.95Å; F455-F459 AromaticContact CD1-CE2 3.62Å; F455-F459 HydrophobicContact CD1-CE2 3.62Å; F455-F459 HydrophobicContact CD1-CZ 4.26Å; F455-F459 HydrophobicContact CE1-CE2 4.49Å; F455-F459 HydrophobicContact CG-CE2 4.14Å; F455-F459 WeakPolarHBondContact O-CD2 3.21Å; F455-F459 PolarHBondContact O-N 2.82Å; F455-V466 HydrophobicContact CB-CG1 3.75Å; F455-V466 HydrophobicContact CB-CG2 4Å; F455-V466 HydrophobicContact CD2-CG1 4.15Å; F455-V466 HydrophobicContact CG-CG1 4.33Å
456A85.8Confident84.9Confident8 Ų872.6 Ų72.67%0.06638%0.384CS..Hα-helixtrans-58.1-42.5178.800000111.7A452 T453 S454 G460 V461 R463 V466A452-A456 VanDerWaalsContact O-CB 3.25Å; A452-A456 WeakPolarHBondContact O-CB 3.4Å; A452-A456 PolarHBondContact O-N 3.08Å; T453-A456 PolarHBondContact O-N 3.47Å; S454-A456 VanDerWaalsContact C-N 3.33Å; S454-A456 PolarHBondContact O-N 2.92Å; A456-G460 WeakPolarHBondContact O-CA 3.39Å; A456-G460 PolarHBondContact O-N 3.36Å; A456-V461 CarbonylContact C-O 3.56Å; A456-V461 WeakPolarHBondContact CB-O 3.27Å; A456-V461 PolarHBondContact O-N 2.88Å; A456-V461 VanDerWaalsContact O-O 3.14Å; A456-R463 HydrophobicContact CB-CB 4.46Å; A456-V466 HydrophobicContact CB-CG2 4.02Å
457K85.2Confident85Confident185 Ų18573.5 Ų73.580%0.80439%0.388SS*.Hα-helixtrans-68.6-39.6176.9-168.5179.2-178.7-1770112.5T453 S454 F455T453-K457 WeakPolarHBondContact O-CB 3.37Å; T453-K457 PolarHBondContact O-N 3.04Å; S454-K457 PolarHBondContact O-N 3.04Å; F455-K457 VanDerWaalsContact C-N 3.28Å; F455-K457 PolarHBondContact O-N 3.42Å
458E86.5Confident85.1Confident134 Ų13467 Ų6763%0.62637%0.366SS*.Hα-helixtrans-64.9-44.9178.1-177.1174.3-17700112.2S454 F455S454-E458 WeakPolarHBondContact O-CB 3.35Å; S454-E458 PolarHBondContact O-N 2.78Å; F455-E458 PolarHBondContact O-N 3.49Å
459F86.9Confident85.5Confident55 Ų5559.7 Ų59.724%0.24134%0.335CS..Hα-helixtrans-88.7-2.5-179.1-57.8-59.2000114.2R435 E438 I439 F455 V461R435-F459 HydrophobicContact CG-CB 4.22Å; R435-F459 HydrophobicContact CG-CD1 4.01Å; R435-F459 HydrophobicContact CG-CD2 3.58Å; R435-F459 HydrophobicContact CG-CE1 4.28Å; R435-F459 HydrophobicContact CG-CE2 3.88Å; R435-F459 HydrophobicContact CG-CG 3.67Å; R435-F459 HydrophobicContact CG-CZ 4.22Å; E438-F459 HydrophobicContact CB-CE1 3.78Å; E438-F459 HydrophobicContact CB-CZ 3.75Å; E438-F459 HydrophobicContact CG-CE1 4.47Å; I439-F459 HydrophobicContact CD1-CE2 4.15Å; I439-F459 HydrophobicContact CG1-CD2 4.47Å; I439-F459 HydrophobicContact CG1-CE2 3.52Å; I439-F459 HydrophobicContact CG1-CZ 4.03Å; F455-F459 HydrophobicContact CB-CD2 4.09Å; F455-F459 HydrophobicContact CB-CE2 3.95Å; F455-F459 AromaticContact CD1-CE2 3.62Å; F455-F459 HydrophobicContact CD1-CE2 3.62Å; F455-F459 HydrophobicContact CD1-CZ 4.26Å; F455-F459 HydrophobicContact CE1-CE2 4.49Å; F455-F459 HydrophobicContact CG-CE2 4.14Å; F455-F459 WeakPolarHBondContact O-CD2 3.21Å; F455-F459 PolarHBondContact O-N 2.82Å; F459-V461 VanDerWaalsContact C-N 3.31Å; F459-V461 HydrophobicContact CB-CG1 4.49Å; F459-V461 HydrophobicContact CB-CG2 4.08Å; F459-V461 PolarHBondContact O-N 2.7Å
460G85.1Confident85.6Confident71 Ų7157.6 Ų57.673%0.73232%0.321SS*.THydrogen-bonded Turntrans66.228.4-178.500000114.3A456A456-G460 WeakPolarHBondContact O-CA 3.39Å; A456-G460 PolarHBondContact O-N 3.36Å
461V86.1Confident85.1Confident36 Ų3658.3 Ų58.322%0.21833%0.333CS..SBendtrans-116.7171.7-178-61.30000111.7A456 F459 I465 V466A456-V461 CarbonylContact C-O 3.56Å; A456-V461 WeakPolarHBondContact CB-O 3.27Å; A456-V461 PolarHBondContact O-N 2.88Å; A456-V461 VanDerWaalsContact O-O 3.14Å; F459-V461 VanDerWaalsContact C-N 3.31Å; F459-V461 HydrophobicContact CB-CG1 4.49Å; F459-V461 HydrophobicContact CB-CG2 4.08Å; F459-V461 PolarHBondContact O-N 2.7Å; V461-I465 HydrophobicContact CB-CB 4.18Å; V461-I465 HydrophobicContact CB-CD1 4.19Å; V461-I465 HydrophobicContact CB-CG2 4.16Å; V461-I465 HydrophobicContact CG1-CG2 4.42Å; V461-I465 HydrophobicContact CG2-CB 4.21Å; V461-I465 HydrophobicContact CG2-CG2 4.12Å; V461-V466 HydrophobicContact CG2-CG2 3.83Å
462S81.4Confident84.8Confident63 Ų6361.5 Ų61.544%0.44135%0.347SS..  trans-73.5152.217280.20000111.2Q464 I465 V466S462-Q464 PolarHBondContact O-N 2.93Å; S462-Q464 VanDerWaalsContact O-N 3.12Å; S462-Q464 PolarHBondContact OG-N 3.3Å; S462-I465 PolarHBondContact O-N 3.15Å; S462-I465 PolarHBondContact OG-N 2.9Å; S462-V466 PolarHBondContact O-N 3.43Å
463R84.6Confident84.8Confident139 Ų13961.9 Ų61.953%0.52535%0.348SS..Hα-helixtrans-52.3-34.3172-179.2179.6171.2-87.52.1112.1A452 A456 I465 V466 V467A452-R463 HydrophobicContact CB-CG 3.79Å; A456-R463 HydrophobicContact CB-CB 4.46Å; R463-I465 VanDerWaalsContact C-N 3.32Å; R463-I465 PolarHBondContact O-N 3Å; R463-V466 PolarHBondContact O-N 3.09Å; R463-V467 HydrophobicContact CG-CG2 4.38Å; R463-V467 VanDerWaalsContact O-CG2 3.27Å; R463-V467 WeakPolarHBondContact O-CG2 3.04Å; R463-V467 PolarHBondContact O-N 3.33Å
464Q78.8Confident84.6Confident130 Ų13062.7 Ų62.761%0.60734%0.342SS*.Hα-helixtrans-67.4-33.1-178.5-162.962.621.200112.6S462 V467 G468S462-Q464 PolarHBondContact O-N 2.93Å; S462-Q464 VanDerWaalsContact O-N 3.12Å; S462-Q464 PolarHBondContact OG-N 3.3Å; Q464-V467 PolarHBondContact O-N 2.98Å; Q464-G468 PolarHBondContact O-N 2.9Å
465I81.1Confident83.7Confident76 Ų7663.9 Ų63.939%0.3936%0.356SS..Hα-helixtrans-65.7-45.3174.7-69.7-179.8000110.2R435 V461 S462 R463 V467 G468 D469R435-I465 VanDerWaalsContact CZ-CG2 3.5Å; V461-I465 HydrophobicContact CB-CB 4.18Å; V461-I465 HydrophobicContact CB-CD1 4.19Å; V461-I465 HydrophobicContact CB-CG2 4.16Å; V461-I465 HydrophobicContact CG1-CG2 4.42Å; V461-I465 HydrophobicContact CG2-CB 4.21Å; V461-I465 HydrophobicContact CG2-CG2 4.12Å; S462-I465 PolarHBondContact O-N 3.15Å; S462-I465 PolarHBondContact OG-N 2.9Å; R463-I465 VanDerWaalsContact C-N 3.32Å; R463-I465 PolarHBondContact O-N 3Å; I465-V467 VanDerWaalsContact C-N 3.33Å; I465-V467 PolarHBondContact O-N 3.25Å; I465-G468 PolarHBondContact O-N 3.19Å; I465-G468 VanDerWaalsContact O-N 3.13Å; I465-D469 PolarHBondContact O-N 3.22Å
466V87.3Confident83.1Confident0 Ų067.8 Ų67.80%039%0.388CS..Hα-helixtrans-61.2-41.8176179.90000111.6I439 A452 F455 A456 V461 S462 R463 G468 D469 V470 Y487I439-V466 HydrophobicContact CD1-CG1 4.12Å; A452-V466 HydrophobicContact CB-CG1 4.29Å; F455-V466 HydrophobicContact CB-CG1 3.75Å; F455-V466 HydrophobicContact CB-CG2 4Å; F455-V466 HydrophobicContact CD2-CG1 4.15Å; F455-V466 HydrophobicContact CG-CG1 4.33Å; A456-V466 HydrophobicContact CB-CG2 4.02Å; V461-V466 HydrophobicContact CG2-CG2 3.83Å; S462-V466 PolarHBondContact O-N 3.43Å; R463-V466 PolarHBondContact O-N 3.09Å; V466-G468 VanDerWaalsContact C-N 3.3Å; V466-G468 PolarHBondContact O-N 3.17Å; V466-D469 PolarHBondContact O-N 3.07Å; V466-V470 HydrophobicContact CG1-CG2 4.48Å; V466-V470 WeakPolarHBondContact O-CG2 3.5Å; V466-V470 PolarHBondContact O-N 2.86Å; V466-Y487 HydrophobicContact CG1-CE2 4.46Å
467V82.6Confident82.7Confident38 Ų3870 Ų7023%0.2341%0.411CS..Hα-helixtrans-59.7-42.7175.5173.30000110.8R463 Q464 I465 A471 Y487R463-V467 HydrophobicContact CG-CG2 4.38Å; R463-V467 VanDerWaalsContact O-CG2 3.27Å; R463-V467 WeakPolarHBondContact O-CG2 3.04Å; R463-V467 PolarHBondContact O-N 3.33Å; Q464-V467 PolarHBondContact O-N 2.98Å; I465-V467 VanDerWaalsContact C-N 3.33Å; I465-V467 PolarHBondContact O-N 3.25Å; V467-A471 PolarHBondContact O-N 3.21Å; V467-Y487 WeakPolarHBondContact CG2-OH 3.37Å
468G80.3Confident82.5Confident34 Ų3464.3 Ų64.335%0.35139%0.388SS..Hα-helixtrans-62.9-43.2175.200000113.1Q464 I465 V466 A471 L472Q464-G468 PolarHBondContact O-N 2.9Å; I465-G468 PolarHBondContact O-N 3.19Å; I465-G468 VanDerWaalsContact O-N 3.13Å; V466-G468 VanDerWaalsContact C-N 3.3Å; V466-G468 PolarHBondContact O-N 3.17Å; G468-A471 WeakPolarHBondContact O-CB 3.3Å; G468-A471 PolarHBondContact O-N 3.41Å; G468-L472 PolarHBondContact O-N 2.99Å
469D88.7Confident82.3Confident12 Ų1263 Ų636%0.06439%0.385CS..Hα-helixtrans-63.8-42.6178-73.5-32.6000112.3R435 K436 I439 I465 V466 A471 L472 L473R435-D469 IonicContact CZ-OD2 3.42Å; R435-D469 IonicContact NE-OD2 2.7Å; R435-D469 PolarHBondContact NE-OD2 3.28Å; R435-D469 IonicContact NH2-OD1 2.87Å; R435-D469 IonicContact NH2-OD2 3.84Å; R435-D469 PolarHBondContact NH2-OD2 3.13Å; K436-D469 HydrophobicContact CD-CB 4.48Å; K436-D469 HydrophobicContact CG-CB 3.75Å; I439-D469 HydrophobicContact CD1-CB 4.04Å; I465-D469 PolarHBondContact O-N 3.22Å; V466-D469 PolarHBondContact O-N 3.07Å; D469-A471 VanDerWaalsContact C-N 3.32Å; D469-A471 PolarHBondContact O-N 2.96Å; D469-L472 PolarHBondContact O-N 2.82Å; D469-L473 WeakPolarHBondContact O-CG 3.38Å; D469-L473 PolarHBondContact O-N 2.78Å
470V87.4Confident82.2Confident1 Ų160.7 Ų60.71%0.00638%0.375CS..Hα-helixtrans-65.6-35.8175.3173.60000111.5I439 V466 L472 L473 R474 I480 Y487I439-V470 HydrophobicContact CG2-CG2 4.1Å; V466-V470 HydrophobicContact CG1-CG2 4.48Å; V466-V470 WeakPolarHBondContact O-CG2 3.5Å; V466-V470 PolarHBondContact O-N 2.86Å; V470-L472 VanDerWaalsContact C-N 3.33Å; V470-L472 PolarHBondContact O-N 3.06Å; V470-L473 PolarHBondContact O-N 2.8Å; V470-R474 WeakPolarHBondContact O-CG 3.23Å; V470-R474 PolarHBondContact O-N 2.96Å; V470-I480 HydrophobicContact CG1-CB 4.43Å; V470-I480 HydrophobicContact CG1-CD1 4.31Å; V470-I480 HydrophobicContact CG1-CG2 3.9Å; V470-Y487 HydrophobicContact CB-CE1 4.37Å; V470-Y487 HydrophobicContact CB-CE2 4.28Å; V470-Y487 HydrophobicContact CG1-CD1 3.86Å; V470-Y487 HydrophobicContact CG1-CE1 3.74Å; V470-Y487 HydrophobicContact CG1-CE2 4.39Å; V470-Y487 HydrophobicContact CG1-CG 4.26Å; V470-Y487 HydrophobicContact CG2-CD2 3.89Å; V470-Y487 HydrophobicContact CG2-CE2 3.74Å; V470-Y487 HydrophobicContact CG2-CG 4.33Å
471A77.8Confident82Confident55 Ų5559 Ų5946%0.45535%0.349SS..Hα-helixtrans-62.8-39.9173.700000111.9V467 G468 D469 R474 A475V467-A471 PolarHBondContact O-N 3.21Å; G468-A471 WeakPolarHBondContact O-CB 3.3Å; G468-A471 PolarHBondContact O-N 3.41Å; D469-A471 VanDerWaalsContact C-N 3.32Å; D469-A471 PolarHBondContact O-N 2.96Å; A471-R474 PolarHBondContact O-N 2.93Å; A471-A475 PolarHBondContact O-N 3.11Å
472L83.1Confident81.7Confident100 Ų10059.4 Ų59.452%0.52436%0.356SS..Hα-helixtrans-67.8-39.4174.8-69.2173.1000112.5K436 G468 D469 V470 A475 A476K436-L472 HydrophobicContact CD-CB 4.02Å; K436-L472 HydrophobicContact CD-CD1 4.3Å; G468-L472 PolarHBondContact O-N 2.99Å; D469-L472 PolarHBondContact O-N 2.82Å; V470-L472 VanDerWaalsContact C-N 3.33Å; V470-L472 PolarHBondContact O-N 3.06Å; L472-A475 PolarHBondContact O-N 2.83Å; L472-A476 PolarHBondContact O-N 3.35Å
473L85.8Confident81.3Confident15 Ų1557.5 Ų57.58%0.07934%0.342CS..Hα-helixtrans-61.2-43.5174.7-74.2169.7000111.7K436 I439 L440 D469 V470 A475 A476 G477 E478 I480K436-L473 HydrophobicContact CB-CD1 4.49Å; K436-L473 HydrophobicContact CB-CD2 4.12Å; K436-L473 HydrophobicContact CB-CG 4.31Å; K436-L473 HydrophobicContact CD-CG 4.46Å; K436-L473 HydrophobicContact CG-CG 4.32Å; I439-L473 HydrophobicContact CB-CD1 4.31Å; I439-L473 HydrophobicContact CG2-CD1 3.94Å; L440-L473 HydrophobicContact CB-CD1 4.46Å; L440-L473 HydrophobicContact CB-CD2 4.41Å; D469-L473 WeakPolarHBondContact O-CG 3.38Å; D469-L473 PolarHBondContact O-N 2.78Å; V470-L473 PolarHBondContact O-N 2.8Å; L473-A475 PolarHBondContact O-N 3.34Å; L473-A476 WeakPolarHBondContact O-CB 3.18Å; L473-A476 PolarHBondContact O-N 3.42Å; L473-A476 VanDerWaalsContact O-N 3.15Å; L473-G477 PolarHBondContact O-N 2.83Å; L473-E478 HydrophobicContact CB-CB 4.34Å; L473-E478 HydrophobicContact CB-CG 4.4Å; L473-E478 HydrophobicContact CD2-CG 4.37Å; L473-E478 WeakPolarHBondContact O-CB 3.48Å; L473-E478 PolarHBondContact O-N 3.33Å; L473-E478 VanDerWaalsContact O-N 3.09Å; L473-I480 HydrophobicContact CB-CD1 3.7Å; L473-I480 HydrophobicContact CD1-CD1 3.92Å; L473-I480 HydrophobicContact CG-CD1 4.45Å
474R82.6Confident80.4Confident101 Ų10155.1 Ų55.138%0.38135%0.352SS..Hα-helixtrans-61.4-42.6173.5-73.8172.7170.5176-4.2112.4V470 A471 A476 G477 I480 A482V470-R474 WeakPolarHBondContact O-CG 3.23Å; V470-R474 PolarHBondContact O-N 2.96Å; A471-R474 PolarHBondContact O-N 2.93Å; R474-A476 PolarHBondContact O-N 3.44Å; R474-G477 PolarHBondContact O-N 2.86Å; R474-I480 HydrophobicContact CG-CB 4.27Å; R474-I480 PolarHBondContact NE-O 3.04Å; R474-I480 PolarHBondContact NH2-O 3.08Å; R474-A482 VanDerWaalsContact NH2-CB 3.3Å
475A68.6Low80.2Confident88 Ų8855.5 Ų55.573%0.72735%0.348SS*.Hα-helixtrans-64-27.2176.600000112.6A471 L472 L473 G477A471-A475 PolarHBondContact O-N 3.11Å; L472-A475 PolarHBondContact O-N 2.83Å; L473-A475 PolarHBondContact O-N 3.34Å; A475-G477 VanDerWaalsContact C-N 3.27Å
476A79.3Confident80.3Confident82 Ų8252.3 Ų52.368%0.67833%0.334SS*.THydrogen-bonded Turntrans-79.3-5172.800000113.8L472 L473 R474L472-A476 PolarHBondContact O-N 3.35Å; L473-A476 WeakPolarHBondContact O-CB 3.18Å; L473-A476 PolarHBondContact O-N 3.42Å; L473-A476 VanDerWaalsContact O-N 3.15Å; R474-A476 PolarHBondContact O-N 3.44Å
477G77.1Confident80.4Confident54 Ų5453.4 Ų53.456%0.55734%0.338SS*.THydrogen-bonded Turntrans102.87.5176.200000115.4L473 R474 A475 N479L473-G477 PolarHBondContact O-N 2.83Å; R474-G477 PolarHBondContact O-N 2.86Å; A475-G477 VanDerWaalsContact C-N 3.27Å; G477-N479 PolarHBondContact O-N 3.36Å
478E81.6Confident80.5Confident67 Ų6753.8 Ų53.831%0.31334%0.339SS..  trans-77.3120.9176.5-59.5-64.6164.700110.9L440 L473 I480L440-E478 HydrophobicContact CD1-CB 4.22Å; L440-E478 HydrophobicContact CD1-CG 3.89Å; L440-E478 HydrophobicContact CD2-CG 4.12Å; L440-E478 WeakPolarHBondContact CD2-OE1 3.48Å; L473-E478 HydrophobicContact CB-CB 4.34Å; L473-E478 HydrophobicContact CB-CG 4.4Å; L473-E478 HydrophobicContact CD2-CG 4.37Å; L473-E478 WeakPolarHBondContact O-CB 3.48Å; L473-E478 PolarHBondContact O-N 3.33Å; L473-E478 VanDerWaalsContact O-N 3.09Å; E478-I480 HydrophobicContact CB-CD1 4.06Å; E478-I480 HydrophobicContact CB-CG1 4.09Å; E478-I480 PolarHBondContact O-N 3.2Å
479N82.1Confident80.6Confident106 Ų10653.7 Ų53.757%0.56733%0.33SS*.  trans-75.767.6-178.5-69.8-21.5000112.1G477 E490G477-N479 PolarHBondContact O-N 3.36Å; N479-E490 HydrophobicContact CB-CB 3.99Å; N479-E490 WeakPolarHBondContact O-CB 3.32Å; N479-E490 PolarHBondContact O-N 3.48Å
480I85.2Confident79.8Confident7 Ų758.4 Ų58.44%0.03635%0.352CS..EExtended strand (participates in β ladder)trans-92119178.5-58.2168.8000108.9L443 V470 L473 R474 E478 Y487 L488 L489L443-I480 HydrophobicContact CD1-CD1 3.88Å; L443-I480 HydrophobicContact CD1-CG1 4.04Å; L443-I480 HydrophobicContact CD1-CG2 3.83Å; V470-I480 HydrophobicContact CG1-CB 4.43Å; V470-I480 HydrophobicContact CG1-CD1 4.31Å; V470-I480 HydrophobicContact CG1-CG2 3.9Å; L473-I480 HydrophobicContact CB-CD1 3.7Å; L473-I480 HydrophobicContact CD1-CD1 3.92Å; L473-I480 HydrophobicContact CG-CD1 4.45Å; R474-I480 HydrophobicContact CG-CB 4.27Å; R474-I480 PolarHBondContact NE-O 3.04Å; R474-I480 PolarHBondContact NH2-O 3.08Å; E478-I480 HydrophobicContact CB-CD1 4.06Å; E478-I480 HydrophobicContact CB-CG1 4.09Å; E478-I480 PolarHBondContact O-N 3.2Å; I480-Y487 HydrophobicContact CG2-CD1 4.11Å; I480-Y487 HydrophobicContact CG2-CG 4.23Å; I480-L488 CarbonylContact C-O 3.43Å; I480-L489 HydrophobicContact CG1-CD1 3.97Å
481I81.4Confident79Confident34 Ų3465.2 Ų65.217%0.17438%0.377CS..EExtended strand (participates in β ladder)trans-89142.5175.5-54163000110.1T483 Y487 L488 E490 H541I481-T483 HydrophobicContact CG2-CG2 4.44Å; I481-Y487 VanDerWaalsContact O-CA 3.3Å; I481-Y487 WeakPolarHBondContact O-CA 3.31Å; I481-L488 PolarHBondContact N-O 2.79Å; I481-L488 PolarHBondContact O-N 3Å; I481-E490 HydrophobicContact CD1-CB 3.52Å; I481-E490 HydrophobicContact CD1-CG 3.65Å; I481-E490 HydrophobicContact CG1-CB 3.86Å; I481-E490 HydrophobicContact CG1-CG 4.34Å; I481-H541 VanDerWaalsContact CG2-NE2 3.32Å; I481-H541 WeakPolarHBondContact CG2-NE2 3.05Å
482A78Confident77.8Confident45 Ų4572.4 Ų72.437%0.37240%0.401SS..EExtended strand (participates in β ladder)trans-101.5117.9171.700000108.6R474 Y487R474-A482 VanDerWaalsContact NH2-CB 3.3Å; A482-Y487 HydrophobicContact CB-CD1 4.08Å; A482-Y487 HydrophobicContact CB-CE1 3.97Å
483T75Confident76.6Confident23 Ų2371.3 Ų71.314%0.14140%0.402CS..EExtended strand (participates in β ladder)trans-106.8166.3174.872.70000109.5P449 I481 R485 G486 H541P449-T483 HydrophobicContact CG-CG2 4.38Å; I481-T483 HydrophobicContact CG2-CG2 4.44Å; T483-R485 PolarHBondContact O-N 2.82Å; T483-R485 VanDerWaalsContact O-N 3.09Å; T483-R485 PolarHBondContact OG1-N 3.05Å; T483-G486 WeakPolarHBondContact CA-O 3.38Å; T483-G486 WeakPolarHBondContact CB-O 3.37Å; T483-G486 PolarHBondContact N-O 3.31Å; T483-G486 PolarHBondContact O-N 2.91Å; T483-G486 VanDerWaalsContact O-N 3.15Å; T483-G486 PolarHBondContact OG1-N 3.41Å; T483-G486 VanDerWaalsContact OG1-N 3.13Å; T483-G486 PolarHBondContact OG1-O 3.16Å; T483-H541 HydrophobicContact CG2-CB 4.22Å
484A63.9Low75.5Confident89 Ų8975.8 Ų75.874%0.73644%0.441SS*.THydrogen-bonded Turntrans-56.5-26.1173.100000113.4
485R74.9Confident75.1Confident138 Ų13874.3 Ų74.352%0.52144%0.438SS..THydrogen-bonded Turntrans-94.1-14.2-179-67.5-175.7176.6162.23.8114.2P449 S451 T483 D547P449-R485 HydrophobicContact CB-CB 4.22Å; S451-R485 WeakPolarHBondContact CB-O 3.42Å; T483-R485 PolarHBondContact O-N 2.82Å; T483-R485 VanDerWaalsContact O-N 3.09Å; T483-R485 PolarHBondContact OG1-N 3.05Å; R485-D547 IonicContact CZ-OD1 3.94Å; R485-D547 IonicContact NH1-OD1 3.46Å; R485-D547 PolarHBondContact NH1-OD1 3.46Å; R485-D547 IonicContact NH2-OD1 2.74Å; R485-D547 PolarHBondContact NH2-OD1 3.24Å
486G84.2Confident75.7Confident10 Ų1073.9 Ų73.910%0.10342%0.423CS..EExtended strand (participates in β ladder)trans146.8-163.9-176.400000114.3I450 T483I450-G486 CarbonylContact O-C 3.51Å; I450-G486 VanDerWaalsContact O-CA 3.29Å; I450-G486 WeakPolarHBondContact O-CA 3.27Å; T483-G486 WeakPolarHBondContact CA-O 3.38Å; T483-G486 WeakPolarHBondContact CB-O 3.37Å; T483-G486 PolarHBondContact N-O 3.31Å; T483-G486 PolarHBondContact O-N 2.91Å; T483-G486 VanDerWaalsContact O-N 3.15Å; T483-G486 PolarHBondContact OG1-N 3.41Å; T483-G486 VanDerWaalsContact OG1-N 3.13Å; T483-G486 PolarHBondContact OG1-O 3.16Å
487Y88.5Confident76.2Confident23 Ų2374.9 Ų74.99%0.0942%0.416CS..EExtended strand (participates in β ladder)trans-92.4143.6178.6-57.8-64.7000111.4L443 P449 I450 A452 V466 V467 V470 I480 I481 A482L443-Y487 VanDerWaalsContact CD2-O 3.26Å; L443-Y487 WeakPolarHBondContact CD2-O 3.39Å; P449-Y487 CarbonylContact C-O 3.53Å; P449-Y487 WeakPolarHBondContact CA-O 3.32Å; I450-Y487 PolarHBondContact N-O 2.8Å; I450-Y487 PolarHBondContact O-N 2.81Å; A452-Y487 HydrophobicContact CB-CD2 4.46Å; A452-Y487 HydrophobicContact CB-CE2 3.68Å; V466-Y487 HydrophobicContact CG1-CE2 4.46Å; V467-Y487 WeakPolarHBondContact CG2-OH 3.37Å; V470-Y487 HydrophobicContact CB-CE1 4.37Å; V470-Y487 HydrophobicContact CB-CE2 4.28Å; V470-Y487 HydrophobicContact CG1-CD1 3.86Å; V470-Y487 HydrophobicContact CG1-CE1 3.74Å; V470-Y487 HydrophobicContact CG1-CE2 4.39Å; V470-Y487 HydrophobicContact CG1-CG 4.26Å; V470-Y487 HydrophobicContact CG2-CD2 3.89Å; V470-Y487 HydrophobicContact CG2-CE2 3.74Å; V470-Y487 HydrophobicContact CG2-CG 4.33Å; I480-Y487 HydrophobicContact CG2-CD1 4.11Å; I480-Y487 HydrophobicContact CG2-CG 4.23Å; I481-Y487 VanDerWaalsContact O-CA 3.3Å; I481-Y487 WeakPolarHBondContact O-CA 3.31Å; A482-Y487 HydrophobicContact CB-CD1 4.08Å; A482-Y487 HydrophobicContact CB-CE1 3.97Å
488L84.1Confident76.6Confident45 Ų4573.8 Ų73.824%0.23640%0.399CS..EExtended strand (participates in β ladder)trans-138.9145174.2-169.574.4000108.5P449 I480 I481P449-L488 HydrophobicContact CG-CB 4.45Å; I480-L488 CarbonylContact C-O 3.43Å; I481-L488 PolarHBondContact N-O 2.79Å; I481-L488 PolarHBondContact O-N 3Å
489L82.6Confident77.1Confident32 Ų3275.5 Ų75.517%0.16841%0.406CS..EExtended strand (participates in β ladder)trans-78127.5170.4-158.181000109.2L440 Q444 I480 R491L440-L489 HydrophobicContact CD1-CD1 4.21Å; Q444-L489 HydrophobicContact CG-CD2 3.98Å; I480-L489 HydrophobicContact CG1-CD1 3.97Å; L489-R491 PolarHBondContact O-N 2.83Å
490E73.6Confident77.6Confident112 Ų11270.7 Ų70.752%0.52338%0.38SS..  trans-64.2127172.5-166.9162.9-143.800109.5N479 I481N479-E490 HydrophobicContact CB-CB 3.99Å; N479-E490 WeakPolarHBondContact O-CB 3.32Å; N479-E490 PolarHBondContact O-N 3.48Å; I481-E490 HydrophobicContact CD1-CB 3.52Å; I481-E490 HydrophobicContact CD1-CG 3.65Å; I481-E490 HydrophobicContact CG1-CB 3.86Å; I481-E490 HydrophobicContact CG1-CG 4.34Å
491R68.7Low78Confident143 Ų14371.8 Ų71.854%0.5439%0.39SS..  trans-115.2140.2172.6-63.3-177.9-179.5177.31107.5Q444 L489 S493Q444-R491 PolarHBondContact O-NH2 3.16Å; L489-R491 PolarHBondContact O-N 2.83Å; R491-S493 PolarHBondContact O-N 3.28Å
492E53.5Low78.5Confident207 Ų20770.1 Ų70.197%0.96738%0.381SS*.  trans-53.6112.8172.7-77.2-178161.400109.2
493S57.2Low79.3Confident76 Ų7671.3 Ų71.353%0.53138%0.379SS..  trans-93.3131.9-178.9-179.10000108.9R491 K495R491-S493 PolarHBondContact O-N 3.28Å; S493-K495 PolarHBondContact O-N 3.49Å; S493-K495 WeakPolarHBondContact OG-CB 3.09Å; S493-K495 WeakPolarHBondContact OG-CG 3.49Å; S493-K495 PolarHBondContact OG-N 3.28Å
494A63.3Low80.1Confident110 Ų11070.7 Ų70.791%0.90938%0.375SS*.  trans-72.6-1.6173.300000113.2
495K75.4Confident81.4Confident70 Ų7068.7 Ų68.730%0.30436%0.355SS..SBendtrans-71.1142.5179.5-65-175.7-175.2-179.30111S493 E522 A576S493-K495 PolarHBondContact O-N 3.49Å; S493-K495 WeakPolarHBondContact OG-CB 3.09Å; S493-K495 WeakPolarHBondContact OG-CG 3.49Å; S493-K495 PolarHBondContact OG-N 3.28Å; K495-E522 IonicContact NZ-OE2 2.83Å; K495-E522 PolarHBondContact NZ-OE2 3.46Å; K495-A576 HydrophobicContact CB-CB 4.08Å; K495-A576 HydrophobicContact CD-CB 4.02Å
496L80.9Confident82Confident78 Ų7864.7 Ų64.741%0.40835%0.347SS..EExtended strand (participates in β ladder)trans-72.5143.7171.6-63.3170.2000109.3A576 Y577 I580L496-A576 CarbonylContact O-C 3.53Å; L496-A576 VanDerWaalsContact O-CA 3.28Å; L496-A576 WeakPolarHBondContact O-CA 3.49Å; L496-Y577 HydrophobicContact CB-CD2 3.82Å; L496-Y577 HydrophobicContact CB-CE1 4.49Å; L496-Y577 HydrophobicContact CB-CE2 3.38Å; L496-Y577 HydrophobicContact CD1-CD2 4.34Å; L496-Y577 HydrophobicContact CD1-CE2 3.85Å; L496-Y577 HydrophobicContact CG-CE2 4.27Å; L496-Y577 PolarHBondContact N-O 2.84Å; L496-Y577 PolarHBondContact O-N 3.41Å; L496-I580 HydrophobicContact CD1-CG1 3.94Å
497I88.6Confident82.2Confident104 Ų10471.4 Ų71.453%0.53338%0.376SS..EExtended strand (participates in β ladder)trans-121.9132.6-177.4-58.4178.4000109.5I524 T574 I575 A576I497-I524 HydrophobicContact CD1-CD1 4.4Å; I497-I524 HydrophobicContact CG2-CD1 4.5Å; I497-T574 HydrophobicContact CG2-CG2 3.25Å; I497-I575 WeakPolarHBondContact CA-O 3.39Å; I497-A576 HydrophobicContact CG1-CB 4.41Å
498S86.8Confident82.4Confident30 Ų3073 Ų7321%0.2138%0.384CS..EExtended strand (participates in β ladder)trans-139.8146.4170.9-173.40000110.7I575S498-I575 PolarHBondContact N-O 3.33Å; S498-I575 PolarHBondContact O-N 3.5Å
499K91.7Very high82.8Confident104 Ų10471.5 Ų71.545%0.45238%0.377SS..EExtended strand (participates in β ladder)trans-86.6143.5166.9-69.6-171.2176.2-170.60110.6H573 T574K499-H573 CarbonylContact C-O 3.57Å; K499-H573 VanDerWaalsContact CA-O 3.26Å; K499-H573 WeakPolarHBondContact CA-O 3.49Å; K499-T574 WeakPolarHBondContact CE-OG1 3.5Å
500I91.9Very high83.3Confident5 Ų571.3 Ų71.33%0.02638%0.38CS..EExtended strand (participates in β ladder)trans-125.8149.716866.9166.2000109.7V502 I516 L572 H573 I575 L583 K587 L590 L596I500-V502 HydrophobicContact CD1-CG1 3.87Å; I500-V502 HydrophobicContact CG1-CG1 4.3Å; I500-I516 HydrophobicContact CD1-CD1 4.41Å; I500-L572 CarbonylContact O-C 3.52Å; I500-L572 WeakPolarHBondContact O-CA 3.46Å; I500-H573 HydrophobicContact CG1-CB 4.25Å; I500-H573 PolarHBondContact N-O 3Å; I500-H573 PolarHBondContact O-N 2.92Å; I500-I575 HydrophobicContact CB-CD1 4.47Å; I500-I575 HydrophobicContact CD1-CD1 3.29Å; I500-I575 HydrophobicContact CG1-CD1 3.51Å; I500-I575 HydrophobicContact CG1-CG1 4.39Å; I500-I575 HydrophobicContact CG2-CD1 4.18Å; I500-L583 HydrophobicContact CG2-CD1 4.1Å; I500-K587 HydrophobicContact CG2-CG 4.36Å; I500-L590 HydrophobicContact CD1-CD1 3.43Å; I500-L590 VanDerWaalsContact CD1-CD1 3.43Å; I500-L596 HydrophobicContact CB-CD1 4.41Å; I500-L596 HydrophobicContact CD1-CD1 4.47Å
501A93.1Very high84.3Confident29 Ų2969.6 Ų69.624%0.2437%0.372CS..EExtended strand (participates in β ladder)trans-101.7133.7171.500000109.7L572 L596 Y597A501-L572 HydrophobicContact CB-CD2 3.46Å; A501-L572 VanDerWaalsContact CB-CD2 3.46Å; A501-L596 WeakPolarHBondContact O-CD1 3.18Å; A501-Y597 HydrophobicContact CB-CD1 4.4Å; A501-Y597 PolarHBondContact O-N 3.3Å
502V93.4Very high85.6Confident0 Ų062.8 Ų62.80%035%0.346CS..EExtended strand (participates in β ladder)trans-131.4151.2-179-69.50000109.7I500 E512 I570 H571 L590 I595I500-V502 HydrophobicContact CD1-CG1 3.87Å; I500-V502 HydrophobicContact CG1-CG1 4.3Å; V502-E512 WeakPolarHBondContact CG2-OE1 3.14Å; V502-I570 WeakPolarHBondContact O-CA 3.11Å; V502-H571 VanDerWaalsContact CG2-CE1 3.44Å; V502-H571 WeakPolarHBondContact CG2-CE1 3.42Å; V502-H571 WeakPolarHBondContact CG2-NE2 3.25Å; V502-H571 WeakPolarHBondContact CG2-O 3.31Å; V502-H571 PolarHBondContact N-O 3.15Å; V502-H571 PolarHBondContact O-N 3.36Å; V502-L590 HydrophobicContact CG1-CD1 4.32Å; V502-I595 CarbonylContact C-O 3.46Å; V502-I595 VanDerWaalsContact CA-O 3.27Å; V502-I595 WeakPolarHBondContact CA-O 3.48Å; V502-I595 HydrophobicContact CB-CG2 4.09Å; V502-I595 HydrophobicContact CG1-CG2 4.1Å
503Q93.9Very high87.6Confident70 Ų7053 Ų5333%0.32730%0.301SS..EExtended strand (participates in β ladder)trans-141.8120.1172.6-175.1-178.82400109.8G569 I570 I595 Y597Q503-G569 WeakPolarHBondContact CA-O 3.15Å; Q503-I570 HydrophobicContact CB-CG1 4.01Å; Q503-I570 VanDerWaalsContact CD-CG1 3.48Å; Q503-I570 HydrophobicContact CG-CG1 3.62Å; Q503-I595 PolarHBondContact N-O 3Å; Q503-Y597 HydrophobicContact CB-CD2 3.68Å; Q503-Y597 HydrophobicContact CB-CE2 4.48Å; Q503-Y597 HydrophobicContact CB-CG 4.42Å; Q503-Y597 HydrophobicContact CG-CD2 4.47Å; Q503-Y597 VanDerWaalsContact OE1-CD2 3.31Å
504H92.8Very high89.4Confident10 Ų1051.6 Ų51.65%0.04629%0.285CS..  trans-158.8167.8177.863.981000111.6Q508 E512 G569 H571 I595H504-Q508 HydrophobicContact CB-CB 3.8Å; H504-Q508 HydrophobicContact CB-CG 4.46Å; H504-E512 IonicContact CE1-OE2 2.83Å; H504-E512 IonicContact NE2-OE2 2.78Å; H504-E512 PolarHBondContact NE2-OE2 2.99Å; H504-G569 WeakPolarHBondContact O-CA 3.34Å; H504-H571 AromaticContact CD2-CE1 3.76Å; H504-H571 AromaticContact CE1-CE1 3.96Å; H504-H571 AromaticContact NE2-CE1 3.22Å; H504-H571 PolarHBondContact NE2-CE1 3.29Å; H504-H571 AromaticContact NE2-NE2 3.65Å; H504-I595 HydrophobicContact CB-CG1 4.27Å; H504-I595 HydrophobicContact CB-CG2 4.22Å
505S90.7Very high91Very high47 Ų4746.6 Ų46.633%0.32924%0.243SC..  trans-77.7160.1173.878.70000111.4E507 Q508S505-E507 WeakPolarHBondContact CB-OE2 3.4Å; S505-E507 PolarHBondContact O-N 3.14Å; S505-E507 VanDerWaalsContact O-N 3.08Å; S505-E507 PolarHBondContact OG-OE2 3.3Å; S505-Q508 PolarHBondContact O-N 2.84Å
506P87Confident91.9Very high54 Ų5443.2 Ų43.235%0.35123%0.229SC..G310 helixtrans-54.2-30.9-179.9-28.437.1000114.1Q508 T509 E565P506-Q508 PolarHBondContact O-N 2.74Å; P506-T509 WeakPolarHBondContact O-CB 3.39Å; P506-T509 PolarHBondContact O-N 3.16Å; P506-T509 PolarHBondContact O-OG1 3.43Å; P506-E565 HydrophobicContact CG-CG 3.79Å
507E88.9Confident92.6Very high151 Ų15140.2 Ų40.271%0.70621%0.214SC*.G310 helixtrans-66.2-25.5178.8-58.974.6-159.500113.1S505S505-E507 WeakPolarHBondContact CB-OE2 3.4Å; S505-E507 PolarHBondContact O-N 3.14Å; S505-E507 VanDerWaalsContact O-N 3.08Å; S505-E507 PolarHBondContact OG-OE2 3.3Å
508Q92.4Very high92.8Very high56 Ų5638.3 Ų38.326%0.26221%0.214SC..G310 helixtrans-88-4.3-179.8-63.8-176.4-83.800113.5H504 S505 P506 A510 E511 E512H504-Q508 HydrophobicContact CB-CB 3.8Å; H504-Q508 HydrophobicContact CB-CG 4.46Å; S505-Q508 PolarHBondContact O-N 2.84Å; P506-Q508 PolarHBondContact O-N 2.74Å; Q508-A510 VanDerWaalsContact C-N 3.29Å; Q508-A510 PolarHBondContact O-N 3.08Å; Q508-E511 WeakPolarHBondContact O-CA 3.32Å; Q508-E511 WeakPolarHBondContact O-CB 3.2Å; Q508-E511 PolarHBondContact O-N 3.38Å; Q508-E512 PolarHBondContact O-N 3.28Å
509T92.7Very high93.2Very high14 Ų1439.7 Ų39.79%0.08622%0.216CC..Hα-helixtrans-56.2-42.3-179.3-50.50000112.6P506 E511 L513 L562P506-T509 WeakPolarHBondContact O-CB 3.39Å; P506-T509 PolarHBondContact O-N 3.16Å; P506-T509 PolarHBondContact O-OG1 3.43Å; T509-E511 VanDerWaalsContact C-N 3.33Å; T509-E511 PolarHBondContact O-N 3.06Å; T509-L513 HydrophobicContact CG2-CD1 4.01Å; T509-L513 WeakPolarHBondContact O-CG 3.37Å; T509-L513 PolarHBondContact O-N 3.44Å; T509-L513 VanDerWaalsContact O-N 3.15Å; T509-L562 HydrophobicContact CG2-CD1 3.98Å; T509-L562 VanDerWaalsContact OG1-CD1 3.31Å; T509-L562 WeakPolarHBondContact OG1-CD1 3.42Å
510A93.3Very high93.1Very high27 Ų2736.8 Ų36.822%0.22322%0.216CC..Hα-helixtrans-63.9-43.9176.600000110.7Q508 E512 H514 V552Q508-A510 VanDerWaalsContact C-N 3.29Å; Q508-A510 PolarHBondContact O-N 3.08Å; A510-E512 PolarHBondContact O-N 3.26Å; A510-H514 WeakPolarHBondContact O-CB 3.5Å; A510-H514 PolarHBondContact O-CD2 3.15Å; A510-H514 PolarHBondContact O-N 2.8Å; A510-V552 HydrophobicContact CB-CG1 4.35Å; A510-V552 HydrophobicContact CB-CG2 3.9Å
511E94Very high93.1Very high76 Ų7636.7 Ų36.736%0.35522%0.216SC..Hα-helixtrans-62.7-42.7-179.1-179.4171.3-154.800112Q508 T509 T515 K593 I595Q508-E511 WeakPolarHBondContact O-CA 3.32Å; Q508-E511 WeakPolarHBondContact O-CB 3.2Å; Q508-E511 PolarHBondContact O-N 3.38Å; T509-E511 VanDerWaalsContact C-N 3.33Å; T509-E511 PolarHBondContact O-N 3.06Å; E511-T515 WeakPolarHBondContact O-CB 3.37Å; E511-T515 PolarHBondContact O-N 3.39Å; E511-T515 PolarHBondContact O-OG1 3.09Å; E511-K593 HydrophobicContact CG-CD 3.91Å; E511-K593 VanDerWaalsContact OE1-CD 3.32Å; E511-K593 WeakPolarHBondContact OE1-CD 3.4Å; E511-K593 WeakPolarHBondContact OE1-CE 3.39Å; E511-K593 IonicContact OE1-NZ 3.63Å; E511-K593 PolarHBondContact OE1-NZ 3.26Å; E511-I595 HydrophobicContact CB-CD1 4.45Å; E511-I595 HydrophobicContact CG-CD1 4.07Å
512E95.7Very high93.1Very high1 Ų137 Ų371%0.00521%0.213CC..Hα-helixtrans-57.9-61.8175180-148.6-175.300111.5V502 H504 Q508 A510 H514 T515 I516 H571 H573 L590 I595V502-E512 WeakPolarHBondContact CG2-OE1 3.14Å; H504-E512 IonicContact CE1-OE2 2.83Å; H504-E512 IonicContact NE2-OE2 2.78Å; H504-E512 PolarHBondContact NE2-OE2 2.99Å; Q508-E512 PolarHBondContact O-N 3.28Å; A510-E512 PolarHBondContact O-N 3.26Å; E512-H514 VanDerWaalsContact C-N 3.3Å; E512-H514 PolarHBondContact O-N 3.08Å; E512-T515 WeakPolarHBondContact O-CA 3.49Å; E512-T515 VanDerWaalsContact O-CB 3.3Å; E512-T515 WeakPolarHBondContact O-CB 3.38Å; E512-T515 PolarHBondContact O-N 2.77Å; E512-I516 HydrophobicContact CG-CD1 4.3Å; E512-I516 PolarHBondContact O-N 2.92Å; E512-H571 IonicContact OE1-NE2 2.76Å; E512-H571 IonicContact OE2-NE2 3Å; E512-H573 IonicContact OE1-CD2 3.77Å; E512-H573 PolarHBondContact OE1-CD2 2.95Å; E512-H573 IonicContact OE1-NE2 3.41Å; E512-H573 PolarHBondContact OE1-NE2 2.9Å; E512-H573 VanDerWaalsContact OE1-NE2 3.1Å; E512-H573 IonicContact OE2-NE2 2.68Å; E512-L590 HydrophobicContact CG-CD2 4.1Å; E512-I595 HydrophobicContact CB-CD1 4.21Å; E512-I595 HydrophobicContact CB-CG2 4.12Å; E512-I595 HydrophobicContact CG-CG2 3.91Å
513L96.1Very high93.1Very high2 Ų237 Ų371%0.0121%0.213CC..Hα-helixtrans-61.5-39.6-174.7-63.5175000111.5T509 T515 I516 V517 V523 L542 V548 F551T509-L513 HydrophobicContact CG2-CD1 4.01Å; T509-L513 WeakPolarHBondContact O-CG 3.37Å; T509-L513 PolarHBondContact O-N 3.44Å; T509-L513 VanDerWaalsContact O-N 3.15Å; L513-T515 VanDerWaalsContact C-N 3.28Å; L513-T515 PolarHBondContact O-N 2.9Å; L513-I516 PolarHBondContact O-N 3.4Å; L513-V517 WeakPolarHBondContact O-CG2 3.43Å; L513-V517 PolarHBondContact O-N 3.03Å; L513-V517 VanDerWaalsContact O-N 3.1Å; L513-V523 HydrophobicContact CD2-CB 4.37Å; L513-V523 HydrophobicContact CD2-CG1 4.03Å; L513-V523 HydrophobicContact CD2-CG2 3.91Å; L513-L542 HydrophobicContact CD1-CD1 3.82Å; L513-L542 HydrophobicContact CD2-CD1 4.24Å; L513-V548 HydrophobicContact CB-CB 4.36Å; L513-V548 HydrophobicContact CB-CG1 3.55Å; L513-V548 HydrophobicContact CB-CG2 3.87Å; L513-V548 HydrophobicContact CD1-CG1 4.26Å; L513-F551 HydrophobicContact CD1-CD1 3.77Å; L513-F551 HydrophobicContact CD1-CE1 3.9Å
514H96Very high92.8Very high46 Ų4635.1 Ų35.121%0.21321%0.205CC..Hα-helixtrans-61.7-37173.6-75.9-52.8000112.2A510 E512 A518 Q545A510-H514 WeakPolarHBondContact O-CB 3.5Å; A510-H514 PolarHBondContact O-CD2 3.15Å; A510-H514 PolarHBondContact O-N 2.8Å; E512-H514 VanDerWaalsContact C-N 3.3Å; E512-H514 PolarHBondContact O-N 3.08Å; H514-A518 WeakPolarHBondContact O-CB 3.48Å; H514-A518 PolarHBondContact O-N 2.77Å; H514-Q545 PolarHBondContact CE1-OE1 2.94Å; H514-Q545 PolarHBondContact ND1-OE1 3.07Å; H514-Q545 PolarHBondContact O-NE2 3.43Å
515T94.8Very high92.7Very high4 Ų435.8 Ų35.83%0.02521%0.209CC..Hα-helixtrans-66.9-45178.8-57.80000111E511 E512 L513 A518 H519 A589 L590 K593E511-T515 WeakPolarHBondContact O-CB 3.37Å; E511-T515 PolarHBondContact O-N 3.39Å; E511-T515 PolarHBondContact O-OG1 3.09Å; E512-T515 WeakPolarHBondContact O-CA 3.49Å; E512-T515 VanDerWaalsContact O-CB 3.3Å; E512-T515 WeakPolarHBondContact O-CB 3.38Å; E512-T515 PolarHBondContact O-N 2.77Å; L513-T515 VanDerWaalsContact C-N 3.28Å; L513-T515 PolarHBondContact O-N 2.9Å; T515-A518 PolarHBondContact O-N 2.83Å; T515-H519 PolarHBondContact O-N 2.85Å; T515-H519 PolarHBondContact O-ND1 3.06Å; T515-A589 HydrophobicContact CG2-CB 3.51Å; T515-L590 HydrophobicContact CG2-CD2 3.91Å; T515-L590 HydrophobicContact CG2-CG 4.09Å; T515-K593 HydrophobicContact CG2-CD 4.45Å; T515-K593 PolarHBondContact OG1-NZ 2.8Å
516I95.6Very high92.8Very high0 Ų034.3 Ų34.30%020%0.197CC..Hα-helixtrans-60.6-50.7178.4-61170.3000110.2I500 E512 L513 A518 H519 G521 V523 I575 I586 L590I500-I516 HydrophobicContact CD1-CD1 4.41Å; E512-I516 HydrophobicContact CG-CD1 4.3Å; E512-I516 PolarHBondContact O-N 2.92Å; L513-I516 PolarHBondContact O-N 3.4Å; I516-A518 PolarHBondContact O-N 3Å; I516-H519 PolarHBondContact O-N 3.18Å; I516-G521 WeakPolarHBondContact O-CA 3.3Å; I516-G521 PolarHBondContact O-N 3.08Å; I516-V523 HydrophobicContact CB-CG2 3.98Å; I516-V523 HydrophobicContact CD1-CG2 3.72Å; I516-V523 HydrophobicContact CG1-CG2 4.46Å; I516-V523 HydrophobicContact CG2-CG2 3.7Å; I516-I575 HydrophobicContact CD1-CD1 3.91Å; I516-I575 HydrophobicContact CG1-CD1 4.2Å; I516-I575 HydrophobicContact CG2-CD1 3.86Å; I516-I575 HydrophobicContact CG2-CG1 4.2Å; I516-I575 HydrophobicContact CG2-CG2 3.91Å; I516-I586 HydrophobicContact CB-CG2 4.49Å; I516-I586 HydrophobicContact CG1-CG2 4.05Å; I516-I586 HydrophobicContact CG2-CD1 4.23Å; I516-I586 HydrophobicContact CG2-CG2 4.47Å; I516-L590 HydrophobicContact CG1-CD1 4.09Å
517V94.5Very high93Very high15 Ų1532 Ų329%0.09118%0.182CC..Hα-helixtrans-69.3-34.2-176.31760000112.5L513 H519 G520 G521 T543 T544 V548L513-V517 WeakPolarHBondContact O-CG2 3.43Å; L513-V517 PolarHBondContact O-N 3.03Å; L513-V517 VanDerWaalsContact O-N 3.1Å; V517-H519 PolarHBondContact O-N 3Å; V517-G520 PolarHBondContact O-N 3.21Å; V517-G521 WeakPolarHBondContact CA-O 3.48Å; V517-T543 VanDerWaalsContact CG1-O 3.26Å; V517-T543 WeakPolarHBondContact CG1-O 3.35Å; V517-T544 VanDerWaalsContact CG1-C 3.46Å; V517-T544 VanDerWaalsContact CG1-CA 3.49Å; V517-V548 HydrophobicContact CG2-CG2 3.96Å
518A93.8Very high93.2Very high64 Ų6425 Ų2553%0.52915%0.15SC..Hα-helixtrans-63.3-29.6177.300000113.2H514 T515 I516H514-A518 WeakPolarHBondContact O-CB 3.48Å; H514-A518 PolarHBondContact O-N 2.77Å; T515-A518 PolarHBondContact O-N 2.83Å; I516-A518 PolarHBondContact O-N 3Å
519H94.7Very high92.8Very high58 Ų5830 Ų3027%0.26917%0.173SC..THydrogen-bonded Turntrans-99.419.4-179.7-6288.5000112.5T515 I516 V517 N582 E585 I586T515-H519 PolarHBondContact O-N 2.85Å; T515-H519 PolarHBondContact O-ND1 3.06Å; I516-H519 PolarHBondContact O-N 3.18Å; V517-H519 PolarHBondContact O-N 3Å; H519-N582 WeakPolarHBondContact O-CB 3.33Å; H519-N582 PolarHBondContact O-ND2 3.34Å; H519-E585 HydrophobicContact CB-CB 4.39Å; H519-E585 IonicContact CD2-OE2 3Å; H519-I586 HydrophobicContact CB-CD1 4.47Å; H519-I586 HydrophobicContact CB-CG1 3.53Å
520G90.4Very high92.3Very high43 Ų4331.3 Ų31.344%0.44318%0.178SC..THydrogen-bonded Turntrans85.514.3172.700000115.3V517V517-G520 PolarHBondContact O-N 3.21Å
521G92.3Very high91.4Very high3 Ų336 Ų363%0.03121%0.207CC..  trans-89.4144.5175.600000113.4I516 V517 A576I516-G521 WeakPolarHBondContact O-CA 3.3Å; I516-G521 PolarHBondContact O-N 3.08Å; V517-G521 WeakPolarHBondContact CA-O 3.48Å; G521-A576 CarbonylContact C-O 3.32Å; G521-A576 WeakPolarHBondContact CA-O 3.24Å
522E93.1Very high90.4Very high36 Ų3638.6 Ų38.617%0.16822%0.222CC..EExtended strand (participates in β ladder)trans-104.4123.3168.1168.2176.7177.300109.3K495 I524 L542 T543 I575 A576K495-E522 IonicContact NZ-OE2 2.83Å; K495-E522 PolarHBondContact NZ-OE2 3.46Å; E522-I524 HydrophobicContact CG-CG1 4.38Å; E522-I524 PolarHBondContact O-N 3.12Å; E522-L542 WeakPolarHBondContact CA-O 3.13Å; E522-T543 HydrophobicContact CB-CG2 4.02Å; E522-T543 VanDerWaalsContact CD-CG2 3.46Å; E522-T543 HydrophobicContact CG-CG2 3.53Å; E522-I575 CarbonylContact O-C 3.34Å; E522-I575 VanDerWaalsContact O-CA 3.24Å; E522-I575 WeakPolarHBondContact O-CA 3.42Å; E522-A576 HydrophobicContact CB-CB 4.18Å; E522-A576 PolarHBondContact N-O 2.86Å; E522-A576 PolarHBondContact O-N 3.08Å
523V92.7Very high89.4Confident0 Ų046.4 Ų46.40%025%0.253CS..EExtended strand (participates in β ladder)trans-84.5104.8176.6-1750000108.7L513 I516 L540 H541 L542 H573L513-V523 HydrophobicContact CD2-CB 4.37Å; L513-V523 HydrophobicContact CD2-CG1 4.03Å; L513-V523 HydrophobicContact CD2-CG2 3.91Å; I516-V523 HydrophobicContact CB-CG2 3.98Å; I516-V523 HydrophobicContact CD1-CG2 3.72Å; I516-V523 HydrophobicContact CG1-CG2 4.46Å; I516-V523 HydrophobicContact CG2-CG2 3.7Å; V523-L540 HydrophobicContact CG1-CB 4.41Å; V523-L540 HydrophobicContact CG1-CD1 3.84Å; V523-H541 CarbonylContact O-C 3.51Å; V523-H541 WeakPolarHBondContact O-CA 3.38Å; V523-H541 PolarHBondContact O-N 3.19Å; V523-L542 HydrophobicContact CB-CB 4.33Å; V523-L542 PolarHBondContact N-O 3.27Å; V523-L542 PolarHBondContact O-N 3.07Å; V523-H573 HydrophobicContact CG1-CB 4.43Å; V523-H573 WeakPolarHBondContact CG1-ND1 3.31Å
524I88.5Confident88.8Confident31 Ų3147.7 Ų47.716%0.15927%0.266CS..EExtended strand (participates in β ladder)trans-76.3-54.1-176-67.7167.4000110.5I497 E522 L540 H541 T574 A576I497-I524 HydrophobicContact CD1-CD1 4.4Å; I497-I524 HydrophobicContact CG2-CD1 4.5Å; E522-I524 HydrophobicContact CG-CG1 4.38Å; E522-I524 PolarHBondContact O-N 3.12Å; I524-L540 PolarHBondContact O-N 3.23Å; I524-H541 PolarHBondContact O-N 3.06Å; I524-T574 HydrophobicContact CB-CG2 4.44Å; I524-T574 VanDerWaalsContact CB-O 3.32Å; I524-T574 WeakPolarHBondContact CB-O 3.37Å; I524-T574 HydrophobicContact CD1-CG2 3.97Å; I524-T574 PolarHBondContact N-O 3.16Å; I524-A576 HydrophobicContact CD1-CB 3.73Å; I524-A576 HydrophobicContact CG1-CB 4.3Å
525D90.2Very high88.3Confident24 Ų2451.1 Ų51.113%0.12828%0.283CS..EExtended strand (participates in β ladder)trans-143.4166.6-17459.829.6000111.7V537 G538 H573 T574D525-V537 HydrophobicContact CB-CG1 3.87Å; D525-G538 CarbonylContact C-O 3.59Å; D525-G538 WeakPolarHBondContact CA-O 3.42Å; D525-H573 WeakPolarHBondContact O-CA 3.41Å; D525-H573 PolarHBondContact O-ND1 3.34Å; D525-T574 VanDerWaalsContact CG-OG1 3.28Å; D525-T574 WeakPolarHBondContact OD1-CB 3.47Å; D525-T574 PolarHBondContact OD1-N 2.88Å; D525-T574 PolarHBondContact OD1-OG1 2.87Å; D525-T574 PolarHBondContact OD2-OG1 3.1Å; D525-T574 VanDerWaalsContact OD2-OG1 3.04Å
526V92.7Very high87.8Confident15 Ų1553.4 Ų53.49%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-114.3136.7161.552.90000108.7V537 G538 L540 L563 H571 L572V526-V537 CarbonylContact O-C 3.56Å; V526-V537 WeakPolarHBondContact O-CA 3.31Å; V526-G538 WeakPolarHBondContact CG1-O 3.46Å; V526-G538 PolarHBondContact N-O 2.84Å; V526-G538 PolarHBondContact O-N 2.82Å; V526-L540 HydrophobicContact CB-CD1 4.02Å; V526-L540 HydrophobicContact CG1-CD1 4.05Å; V526-L540 HydrophobicContact CG1-CG 4.21Å; V526-L563 HydrophobicContact CG1-CB 4.48Å; V526-L563 HydrophobicContact CG1-CD1 3.65Å; V526-L563 HydrophobicContact CG2-CB 4.31Å; V526-H571 HydrophobicContact CG2-CB 4.26Å; V526-L572 CarbonylContact C-O 3.56Å; V526-L572 WeakPolarHBondContact CA-O 3.37Å
527V91.5Very high87.4Confident5 Ų557.3 Ų57.33%0.0332%0.318CS..EExtended strand (participates in β ladder)trans-127.9127.9-177.9-175.50000110.3E535 L536 V537 H571 L572V527-E535 HydrophobicContact CG1-CG 3.26Å; V527-E535 WeakPolarHBondContact CG1-OE1 3.42Å; V527-L536 WeakPolarHBondContact CA-O 3.47Å; V527-V537 HydrophobicContact CG1-CG2 4.29Å; V527-V537 HydrophobicContact CG2-CG1 4.2Å; V527-V537 HydrophobicContact CG2-CG2 4.12Å; V527-H571 WeakPolarHBondContact O-CB 3.05Å; V527-L572 HydrophobicContact CB-CB 4.17Å; V527-L572 PolarHBondContact N-O 3.25Å; V527-L572 PolarHBondContact O-N 3.11Å
528V91.6Very high86.9Confident5 Ų557.5 Ų57.53%0.0332%0.323CS..EExtended strand (participates in β ladder)trans-132.7153.4175.8-63.70000111.7E535 L536 L563 L566 T567 H571V528-E535 WeakPolarHBondContact O-CA 3.32Å; V528-L536 HydrophobicContact CG2-CB 3.92Å; V528-L536 PolarHBondContact N-O 3.29Å; V528-L536 PolarHBondContact O-N 3.12Å; V528-L563 HydrophobicContact CG1-CB 4.13Å; V528-L563 WeakPolarHBondContact CG1-O 3.23Å; V528-L563 HydrophobicContact CG2-CB 4Å; V528-L563 HydrophobicContact CG2-CD2 4.02Å; V528-L563 HydrophobicContact CG2-CG 4.49Å; V528-L566 HydrophobicContact CG2-CD1 4.43Å; V528-T567 HydrophobicContact CB-CG2 3.89Å; V528-T567 HydrophobicContact CG1-CG2 4.41Å; V528-H571 HydrophobicContact CG1-CB 3.57Å
529E83.8Confident86.5Confident160 Ų16056.2 Ų56.275%0.74832%0.316SS*.EExtended strand (participates in β ladder)trans-97.3105.6176.8-165.4166.7-167.800110.4T567E529-T567 WeakPolarHBondContact O-CG2 3.48Å
530H82.3Confident86.1Confident43 Ų4354.5 Ų54.520%0.19931%0.309CS..EExtended strand (participates in β ladder)trans-90.4131.5-180-173.1-93.3000111.3L532 Y533 G534 L536H530-L532 PolarHBondContact ND1-N 3.43Å; H530-L532 PolarHBondContact O-N 3.35Å; H530-Y533 AromaticContact CE1-CD2 3.58Å; H530-Y533 AromaticContact CE1-CE2 3.95Å; H530-Y533 AromaticContact ND1-CD2 3.3Å; H530-Y533 VanDerWaalsContact ND1-CD2 3.3Å; H530-Y533 WeakPolarHBondContact ND1-CD2 3.29Å; H530-Y533 AromaticContact ND1-CG 3.94Å; H530-Y533 PolarHBondContact ND1-N 3.47Å; H530-Y533 PolarHBondContact O-N 3.4Å; H530-G534 WeakPolarHBondContact CA-O 3.29Å; H530-G534 WeakPolarHBondContact CB-O 3.24Å; H530-G534 PolarHBondContact N-O 3.36Å; H530-G534 WeakPolarHBondContact O-CA 3.14Å; H530-G534 PolarHBondContact O-N 2.85Å; H530-L536 HydrophobicContact CB-CD1 3.58Å; H530-L536 HydrophobicContact CB-CG 3.77Å
531P74.7Confident85.9Confident126 Ų12654.7 Ų54.782%0.81830%0.298SS*.THydrogen-bonded Turntrans-57.2-30.4-173.4-25.732.3000115.4
532L73.6Confident85.7Confident129 Ų12955 Ų5568%0.67530%0.299SS*.THydrogen-bonded Turntrans-95.1-33.6-178-17663000113.6H530H530-L532 PolarHBondContact ND1-N 3.43Å; H530-L532 PolarHBondContact O-N 3.35Å
533Y75.4Confident85.5Confident165 Ų16556.4 Ų56.465%0.64731%0.31SS*.THydrogen-bonded Turntrans-110.8-8.8-167.1-63.5-59.7000112.8H530H530-Y533 AromaticContact CE1-CD2 3.58Å; H530-Y533 AromaticContact CE1-CE2 3.95Å; H530-Y533 AromaticContact ND1-CD2 3.3Å; H530-Y533 VanDerWaalsContact ND1-CD2 3.3Å; H530-Y533 WeakPolarHBondContact ND1-CD2 3.29Å; H530-Y533 AromaticContact ND1-CG 3.94Å; H530-Y533 PolarHBondContact ND1-N 3.47Å; H530-Y533 PolarHBondContact O-N 3.4Å
534G82.2Confident85.3Confident29 Ų2959.3 Ų59.330%0.29933%0.328SS..EExtended strand (participates in β ladder)trans72.4-135.9-169.100000110.4H530 L536H530-G534 WeakPolarHBondContact CA-O 3.29Å; H530-G534 WeakPolarHBondContact CB-O 3.24Å; H530-G534 PolarHBondContact N-O 3.36Å; H530-G534 WeakPolarHBondContact O-CA 3.14Å; H530-G534 PolarHBondContact O-N 2.85Å; G534-L536 PolarHBondContact O-N 2.84Å
535E85.7Confident85.4Confident119 Ų11961.4 Ų61.456%0.55634%0.337SS*.EExtended strand (participates in β ladder)trans-67.5121.8-176.7-162.9173.5130.500112V527 V528 V537V527-E535 HydrophobicContact CG1-CG 3.26Å; V527-E535 WeakPolarHBondContact CG1-OE1 3.42Å; V528-E535 WeakPolarHBondContact O-CA 3.32Å; E535-V537 HydrophobicContact CG-CG2 3.93Å; E535-V537 WeakPolarHBondContact OE1-CG2 3.47Å
536L84.8Confident85.2Confident51 Ų5167.2 Ų67.227%0.26736%0.363SS..EExtended strand (participates in β ladder)trans-105.8124166.9-66.3-179.4000108.8V527 V528 H530 G534 L563 L566V527-L536 WeakPolarHBondContact CA-O 3.47Å; V528-L536 HydrophobicContact CG2-CB 3.92Å; V528-L536 PolarHBondContact N-O 3.29Å; V528-L536 PolarHBondContact O-N 3.12Å; H530-L536 HydrophobicContact CB-CD1 3.58Å; H530-L536 HydrophobicContact CB-CG 3.77Å; G534-L536 PolarHBondContact O-N 2.84Å; L536-L563 HydrophobicContact CB-CD2 4.39Å; L536-L563 HydrophobicContact CD1-CD2 4.34Å; L536-L566 HydrophobicContact CD1-CD1 4.24Å
537V86.9Confident85Confident82 Ų8267.1 Ų67.150%0.49736%0.362SS..EExtended strand (participates in β ladder)trans-115.3127.9-178.5-174.70000109.7D525 V526 V527 E535D525-V537 HydrophobicContact CB-CG1 3.87Å; V526-V537 CarbonylContact O-C 3.56Å; V526-V537 WeakPolarHBondContact O-CA 3.31Å; V527-V537 HydrophobicContact CG1-CG2 4.29Å; V527-V537 HydrophobicContact CG2-CG1 4.2Å; V527-V537 HydrophobicContact CG2-CG2 4.12Å; E535-V537 HydrophobicContact CG-CG2 3.93Å; E535-V537 WeakPolarHBondContact OE1-CG2 3.47Å
538G84.6Confident85Confident20 Ų2066.9 Ų66.921%0.20636%0.361CS..EExtended strand (participates in β ladder)trans-117.4116173.400000111D525 V526 L540D525-G538 CarbonylContact C-O 3.59Å; D525-G538 WeakPolarHBondContact CA-O 3.42Å; V526-G538 WeakPolarHBondContact CG1-O 3.46Å; V526-G538 PolarHBondContact N-O 2.84Å; V526-G538 PolarHBondContact O-N 2.82Å; G538-L540 PolarHBondContact O-N 3.33Å
539G84.5Confident84.9Confident37 Ų3772.3 Ų72.338%0.38139%0.386SS..EExtended strand (participates in β ladder)trans-69.9125.7175.300000111.7
540L87.2Confident85.1Confident22 Ų2266.9 Ų66.912%0.11537%0.368CS..EExtended strand (participates in β ladder)trans-109.4-51.7-178.7-66.4178.2000111.5V523 I524 V526 G538 L542 F551V523-L540 HydrophobicContact CG1-CB 4.41Å; V523-L540 HydrophobicContact CG1-CD1 3.84Å; I524-L540 PolarHBondContact O-N 3.23Å; V526-L540 HydrophobicContact CB-CD1 4.02Å; V526-L540 HydrophobicContact CG1-CD1 4.05Å; V526-L540 HydrophobicContact CG1-CG 4.21Å; G538-L540 PolarHBondContact O-N 3.33Å; L540-L542 HydrophobicContact CB-CD1 4.34Å; L540-L542 HydrophobicContact CB-CG 4.09Å; L540-F551 HydrophobicContact CD2-CD2 4.25Å; L540-F551 HydrophobicContact CD2-CE2 3.55Å; L540-F551 HydrophobicContact CD2-CZ 3.78Å
541H84.8Confident85.5Confident47 Ų4767.1 Ų67.122%0.21837%0.369CS..EExtended strand (participates in β ladder)trans49.653.1-177.2-58.9-84.1000113.8I481 T483 V523 I524I481-H541 VanDerWaalsContact CG2-NE2 3.32Å; I481-H541 WeakPolarHBondContact CG2-NE2 3.05Å; T483-H541 HydrophobicContact CG2-CB 4.22Å; V523-H541 CarbonylContact O-C 3.51Å; V523-H541 WeakPolarHBondContact O-CA 3.38Å; V523-H541 PolarHBondContact O-N 3.19Å; I524-H541 PolarHBondContact O-N 3.06Å
542L89.5Confident86.2Confident10 Ų1062.5 Ų62.55%0.05234%0.338CS..EExtended strand (participates in β ladder)trans-94.1119.3179.9-53.3174.4000109.7L513 E522 V523 L540 D547 V548 F551L513-L542 HydrophobicContact CD1-CD1 3.82Å; L513-L542 HydrophobicContact CD2-CD1 4.24Å; E522-L542 WeakPolarHBondContact CA-O 3.13Å; V523-L542 HydrophobicContact CB-CB 4.33Å; V523-L542 PolarHBondContact N-O 3.27Å; V523-L542 PolarHBondContact O-N 3.07Å; L540-L542 HydrophobicContact CB-CD1 4.34Å; L540-L542 HydrophobicContact CB-CG 4.09Å; L542-D547 HydrophobicContact CB-CB 4.22Å; L542-D547 HydrophobicContact CD2-CB 3.81Å; L542-V548 HydrophobicContact CB-CG2 4.45Å; L542-V548 HydrophobicContact CD1-CG2 4.44Å; L542-F551 HydrophobicContact CD1-CB 4.29Å; L542-F551 HydrophobicContact CD1-CD1 4.32Å; L542-F551 HydrophobicContact CD1-CG 4.23Å; L542-F551 HydrophobicContact CD2-CB 4.15Å
543T87.6Confident86.9Confident65 Ų6559.1 Ų59.140%0.39933%0.329SS..  trans-117.3-20.3-174.255.60000113.8V517 E522 D547V517-T543 VanDerWaalsContact CG1-O 3.26Å; V517-T543 WeakPolarHBondContact CG1-O 3.35Å; E522-T543 HydrophobicContact CB-CG2 4.02Å; E522-T543 VanDerWaalsContact CD-CG2 3.46Å; E522-T543 HydrophobicContact CG-CG2 3.53Å; T543-D547 PolarHBondContact N-OD2 3.29Å; T543-D547 PolarHBondContact OG1-OD2 3.14Å
544T89.2Confident87.5Confident60 Ų6054.8 Ų54.837%0.36832%0.315SS..SBendtrans-132157.2-175.367.30000111.7V517 Q546 D547 V548V517-T544 VanDerWaalsContact CG1-C 3.46Å; V517-T544 VanDerWaalsContact CG1-CA 3.49Å; T544-Q546 PolarHBondContact O-N 3Å; T544-D547 PolarHBondContact N-OD2 3.05Å; T544-D547 WeakPolarHBondContact O-CA 3.12Å; T544-D547 WeakPolarHBondContact O-CB 3.41Å; T544-D547 PolarHBondContact O-N 3.39Å; T544-D547 PolarHBondContact OG1-N 3.36Å; T544-D547 PolarHBondContact OG1-OD1 3.05Å; T544-D547 PolarHBondContact OG1-OD2 3.17Å; T544-V548 PolarHBondContact O-N 3.04Å
545Q90.3Very high87.6Confident75 Ų7554.3 Ų54.335%0.3531%0.308SS..Hα-helixtrans-55.2-36.5176.1-64.2-70.1-33.800111.4H514 D547 V548 E549H514-Q545 PolarHBondContact CE1-OE1 2.94Å; H514-Q545 PolarHBondContact ND1-OE1 3.07Å; H514-Q545 PolarHBondContact O-NE2 3.43Å; Q545-D547 VanDerWaalsContact C-N 3.33Å; Q545-D547 PolarHBondContact O-N 3.47Å; Q545-V548 PolarHBondContact O-N 3.48Å; Q545-E549 WeakPolarHBondContact O-CG 3.34Å; Q545-E549 PolarHBondContact O-N 3.26Å
546Q86.5Confident87.6Confident146 Ų14656.4 Ų56.468%0.68232%0.315SS*.Hα-helixtrans-66.3-32.4175.2-70.6176-8.500112.9T544 V548 A550T544-Q546 PolarHBondContact O-N 3Å; Q546-V548 VanDerWaalsContact C-N 3.35Å; Q546-A550 VanDerWaalsContact O-CB 3.31Å; Q546-A550 WeakPolarHBondContact O-CB 3.48Å; Q546-A550 PolarHBondContact O-N 3.49Å
547D88.6Confident87.7Confident13 Ų1362 Ų627%0.0733%0.333CS..Hα-helixtrans-65.7-42.6174.7-57.9-31.4000110.7R485 L542 T543 T544 Q545 A550 F551R485-D547 IonicContact CZ-OD1 3.94Å; R485-D547 IonicContact NH1-OD1 3.46Å; R485-D547 PolarHBondContact NH1-OD1 3.46Å; R485-D547 IonicContact NH2-OD1 2.74Å; R485-D547 PolarHBondContact NH2-OD1 3.24Å; L542-D547 HydrophobicContact CB-CB 4.22Å; L542-D547 HydrophobicContact CD2-CB 3.81Å; T543-D547 PolarHBondContact N-OD2 3.29Å; T543-D547 PolarHBondContact OG1-OD2 3.14Å; T544-D547 PolarHBondContact N-OD2 3.05Å; T544-D547 WeakPolarHBondContact O-CA 3.12Å; T544-D547 WeakPolarHBondContact O-CB 3.41Å; T544-D547 PolarHBondContact O-N 3.39Å; T544-D547 PolarHBondContact OG1-N 3.36Å; T544-D547 PolarHBondContact OG1-OD1 3.05Å; T544-D547 PolarHBondContact OG1-OD2 3.17Å; Q545-D547 VanDerWaalsContact C-N 3.33Å; Q545-D547 PolarHBondContact O-N 3.47Å; D547-A550 PolarHBondContact O-N 3.07Å; D547-F551 WeakPolarHBondContact O-CB 3.46Å; D547-F551 PolarHBondContact O-N 3.42Å
548V90.5Very high87.5Confident0 Ų062.7 Ų62.70%033%0.333CS..Hα-helixtrans-64-48.1177.1-178.90000111.1L513 V517 L542 T544 Q545 Q546 A550 F551 V552L513-V548 HydrophobicContact CB-CB 4.36Å; L513-V548 HydrophobicContact CB-CG1 3.55Å; L513-V548 HydrophobicContact CB-CG2 3.87Å; L513-V548 HydrophobicContact CD1-CG1 4.26Å; V517-V548 HydrophobicContact CG2-CG2 3.96Å; L542-V548 HydrophobicContact CB-CG2 4.45Å; L542-V548 HydrophobicContact CD1-CG2 4.44Å; T544-V548 PolarHBondContact O-N 3.04Å; Q545-V548 PolarHBondContact O-N 3.48Å; Q546-V548 VanDerWaalsContact C-N 3.35Å; V548-A550 VanDerWaalsContact C-N 3.31Å; V548-A550 PolarHBondContact O-N 3.17Å; V548-F551 PolarHBondContact O-N 2.97Å; V548-V552 HydrophobicContact CG1-CG2 4.29Å; V548-V552 WeakPolarHBondContact O-CG2 3.38Å; V548-V552 PolarHBondContact O-N 2.82Å
549E91Very high87.5Confident119 Ų11970.3 Ų70.356%0.55636%0.363SS*.Hα-helixtrans-58.6-44.2177.7-71.6179.4179.400111.8Q545 V552 A553Q545-E549 WeakPolarHBondContact O-CG 3.34Å; Q545-E549 PolarHBondContact O-N 3.26Å; E549-V552 PolarHBondContact O-N 2.91Å; E549-A553 VanDerWaalsContact O-CB 3.25Å; E549-A553 WeakPolarHBondContact O-CB 3.49Å; E549-A553 PolarHBondContact O-N 2.92Å
550A88.2Confident87.5Confident46 Ų4672.1 Ų72.138%0.3837%0.367SS..Hα-helixtrans-63.3-43.6177.600000111.6Q546 D547 V548 A553 E554Q546-A550 VanDerWaalsContact O-CB 3.31Å; Q546-A550 WeakPolarHBondContact O-CB 3.48Å; Q546-A550 PolarHBondContact O-N 3.49Å; D547-A550 PolarHBondContact O-N 3.07Å; V548-A550 VanDerWaalsContact C-N 3.31Å; V548-A550 PolarHBondContact O-N 3.17Å; A550-A553 PolarHBondContact O-N 3.14Å; A550-E554 VanDerWaalsContact O-CB 3.25Å; A550-E554 WeakPolarHBondContact O-CB 3.25Å; A550-E554 PolarHBondContact O-N 3.18Å
551F89.7Confident87.3Confident49 Ų4976 Ų7622%0.21539%0.392CS..Hα-helixtrans-61.4-48.1177.4174.6-101.9000111.9L513 L540 L542 D547 V548 A553 E554 A555 L562L513-F551 HydrophobicContact CD1-CD1 3.77Å; L513-F551 HydrophobicContact CD1-CE1 3.9Å; L540-F551 HydrophobicContact CD2-CD2 4.25Å; L540-F551 HydrophobicContact CD2-CE2 3.55Å; L540-F551 HydrophobicContact CD2-CZ 3.78Å; L542-F551 HydrophobicContact CD1-CB 4.29Å; L542-F551 HydrophobicContact CD1-CD1 4.32Å; L542-F551 HydrophobicContact CD1-CG 4.23Å; L542-F551 HydrophobicContact CD2-CB 4.15Å; D547-F551 WeakPolarHBondContact O-CB 3.46Å; D547-F551 PolarHBondContact O-N 3.42Å; V548-F551 PolarHBondContact O-N 2.97Å; F551-A553 PolarHBondContact O-N 2.79Å; F551-E554 PolarHBondContact O-N 3.39Å; F551-A555 WeakPolarHBondContact O-CB 3.43Å; F551-A555 PolarHBondContact O-N 2.95Å; F551-L562 HydrophobicContact CZ-CD2 4.42Å
552V89.3Confident87.5Confident28 Ų2875.3 Ų75.317%0.1739%0.39CS..Hα-helixtrans-66.1-39.7-179.8174.40000111.5A510 V548 E549 K556A510-V552 HydrophobicContact CB-CG1 4.35Å; A510-V552 HydrophobicContact CB-CG2 3.9Å; V548-V552 HydrophobicContact CG1-CG2 4.29Å; V548-V552 WeakPolarHBondContact O-CG2 3.38Å; V548-V552 PolarHBondContact O-N 2.82Å; E549-V552 PolarHBondContact O-N 2.91Å; V552-K556 HydrophobicContact CG1-CD 4.5Å; V552-K556 WeakPolarHBondContact O-CG 3.08Å; V552-K556 PolarHBondContact O-N 3.24Å; V552-K556 VanDerWaalsContact O-N 3.09Å
553A88.2Confident87.3Confident58 Ų5877.3 Ų77.348%0.47940%0.4SS..Hα-helixtrans-65.5-40.717600000112E549 A550 F551 R557E549-A553 VanDerWaalsContact O-CB 3.25Å; E549-A553 WeakPolarHBondContact O-CB 3.49Å; E549-A553 PolarHBondContact O-N 2.92Å; A550-A553 PolarHBondContact O-N 3.14Å; F551-A553 PolarHBondContact O-N 2.79Å; A553-R557 WeakPolarHBondContact O-CB 3.47Å; A553-R557 PolarHBondContact O-N 2.97Å
554E87.4Confident87.2Confident74 Ų7474.5 Ų74.535%0.34638%0.383SS..Hα-helixtrans-64.3-46.7176.3-171.268.8-165.700111.5A550 F551 K556 R557 L558A550-E554 VanDerWaalsContact O-CB 3.25Å; A550-E554 WeakPolarHBondContact O-CB 3.25Å; A550-E554 PolarHBondContact O-N 3.18Å; F551-E554 PolarHBondContact O-N 3.39Å; E554-K556 VanDerWaalsContact C-N 3.33Å; E554-K556 PolarHBondContact O-N 3.25Å; E554-R557 PolarHBondContact O-N 3.15Å; E554-R557 VanDerWaalsContact O-N 3.14Å; E554-R557 IonicContact OE1-CZ 3.56Å; E554-R557 IonicContact OE1-NH1 3.21Å; E554-R557 IonicContact OE1-NH2 2.67Å; E554-R557 PolarHBondContact OE1-NH2 3.15Å; E554-R557 IonicContact OE2-CZ 2.92Å; E554-R557 IonicContact OE2-NH1 3.03Å; E554-R557 PolarHBondContact OE2-NH1 3.26Å; E554-R557 IonicContact OE2-NH2 3.26Å; E554-R557 PolarHBondContact OE2-NH2 3.06Å; E554-L558 HydrophobicContact CG-CD1 3.99Å; E554-L558 WeakPolarHBondContact O-CG 3.11Å; E554-L558 PolarHBondContact O-N 3.15Å
555A85.9Confident87.2Confident20 Ų2075.8 Ų75.817%0.16539%0.385CS..Hα-helixtrans-59-44.1178.100000111.7F551 L558 E559 V560F551-A555 WeakPolarHBondContact O-CB 3.43Å; F551-A555 PolarHBondContact O-N 2.95Å; A555-L558 PolarHBondContact O-N 3.18Å; A555-E559 PolarHBondContact O-N 3.15Å; A555-V560 HydrophobicContact CB-CG2 4.06Å; A555-V560 PolarHBondContact O-N 2.52Å
556K85.7Confident86.9Confident162 Ų16276.3 Ų76.370%0.70439%0.389SS*.Hα-helixtrans-63.5-40.9174.5-75.8179.2-179.11780112.6V552 E554 L558 E559V552-K556 HydrophobicContact CG1-CD 4.5Å; V552-K556 WeakPolarHBondContact O-CG 3.08Å; V552-K556 PolarHBondContact O-N 3.24Å; V552-K556 VanDerWaalsContact O-N 3.09Å; E554-K556 VanDerWaalsContact C-N 3.33Å; E554-K556 PolarHBondContact O-N 3.25Å; K556-L558 VanDerWaalsContact C-N 3.34Å; K556-E559 PolarHBondContact O-N 3.2Å
557R86Confident86.9Confident170 Ų17070.9 Ų70.964%0.64237%0.366SS*.Hα-helixtrans-67.7-35.1-179.2-166.7-176.174.1-129.30.9112.4A553 E554A553-R557 WeakPolarHBondContact O-CB 3.47Å; A553-R557 PolarHBondContact O-N 2.97Å; E554-R557 PolarHBondContact O-N 3.15Å; E554-R557 VanDerWaalsContact O-N 3.14Å; E554-R557 IonicContact OE1-CZ 3.56Å; E554-R557 IonicContact OE1-NH1 3.21Å; E554-R557 IonicContact OE1-NH2 2.67Å; E554-R557 PolarHBondContact OE1-NH2 3.15Å; E554-R557 IonicContact OE2-CZ 2.92Å; E554-R557 IonicContact OE2-NH1 3.03Å; E554-R557 PolarHBondContact OE2-NH1 3.26Å; E554-R557 IonicContact OE2-NH2 3.26Å; E554-R557 PolarHBondContact OE2-NH2 3.06Å
558L83.1Confident86.8Confident95 Ų9574.3 Ų74.350%0.49740%0.396SS..Hα-helixtrans-85.9-7.1-179-64.9173.9000113.4E554 A555 K556 V560E554-L558 HydrophobicContact CG-CD1 3.99Å; E554-L558 WeakPolarHBondContact O-CG 3.11Å; E554-L558 PolarHBondContact O-N 3.15Å; A555-L558 PolarHBondContact O-N 3.18Å; K556-L558 VanDerWaalsContact C-N 3.34Å; L558-V560 HydrophobicContact CB-CG1 3.64Å; L558-V560 HydrophobicContact CB-CG2 4.38Å; L558-V560 PolarHBondContact O-N 2.92Å
559E84.4Confident86.6Confident180 Ų18074.6 Ų74.684%0.84140%0.399SS*.THydrogen-bonded Turntrans5040.2-174.2-62.6-176.1166.500112.3A555 K556A555-E559 PolarHBondContact O-N 3.15Å; K556-E559 PolarHBondContact O-N 3.2Å
560V83.7Confident86.6Confident75 Ų7571.7 Ų71.746%0.45539%0.387SS..PPolyproline II helixtrans-85.4145.2-176.3-70.10000112.1A555 L558A555-V560 HydrophobicContact CB-CG2 4.06Å; A555-V560 PolarHBondContact O-N 2.52Å; L558-V560 HydrophobicContact CB-CG1 3.64Å; L558-V560 HydrophobicContact CB-CG2 4.38Å; L558-V560 PolarHBondContact O-N 2.92Å
561T84.6Confident86.8Confident105 Ų10569.9 Ų69.964%0.64437%0.371SS*.PPolyproline II helixtrans-77.5130.2168.7-40.60000109.5E565T561-E565 WeakPolarHBondContact CA-OE1 3.1Å; T561-E565 HydrophobicContact CG2-CB 3.88Å; T561-E565 HydrophobicContact CG2-CG 4.32Å; T561-E565 WeakPolarHBondContact CG2-OE1 3.09Å
562L87.6Confident87Confident32 Ų3270.6 Ų70.617%0.16838%0.377CS..PPolyproline II helixtrans-75.2151.2176.5-61.1175.7000110.2T509 F551 S564 E565T509-L562 HydrophobicContact CG2-CD1 3.98Å; T509-L562 VanDerWaalsContact OG1-CD1 3.31Å; T509-L562 WeakPolarHBondContact OG1-CD1 3.42Å; F551-L562 HydrophobicContact CZ-CD2 4.42Å; L562-S564 PolarHBondContact O-N 2.83Å; L562-E565 HydrophobicContact CB-CG 4.37Å; L562-E565 PolarHBondContact N-OE1 2.95Å; L562-E565 WeakPolarHBondContact O-CB 3.23Å; L562-E565 PolarHBondContact O-N 3.5Å; L562-E565 VanDerWaalsContact O-N 3.12Å
563L86.1Confident87.3Confident52 Ų5269.4 Ų69.427%0.27237%0.369SS..G310 helixtrans-59.4-36177.5-79170.4000112V526 V528 L536 E565 L566V526-L563 HydrophobicContact CG1-CB 4.48Å; V526-L563 HydrophobicContact CG1-CD1 3.65Å; V526-L563 HydrophobicContact CG2-CB 4.31Å; V528-L563 HydrophobicContact CG1-CB 4.13Å; V528-L563 WeakPolarHBondContact CG1-O 3.23Å; V528-L563 HydrophobicContact CG2-CB 4Å; V528-L563 HydrophobicContact CG2-CD2 4.02Å; V528-L563 HydrophobicContact CG2-CG 4.49Å; L536-L563 HydrophobicContact CB-CD2 4.39Å; L536-L563 HydrophobicContact CD1-CD2 4.34Å; L563-E565 PolarHBondContact O-N 3.19Å; L563-L566 HydrophobicContact CD2-CD1 3.79Å; L563-L566 VanDerWaalsContact O-CB 3.27Å; L563-L566 WeakPolarHBondContact O-CB 3.21Å; L563-L566 WeakPolarHBondContact O-CG 3.39Å; L563-L566 PolarHBondContact O-N 3.31Å
564S84.9Confident87.5Confident6 Ų667.3 Ų67.34%0.04235%0.35CS..G310 helixtrans-59.1-25.717855.70000113.7L562 L566 T567 G569 H571L562-S564 PolarHBondContact O-N 2.83Å; S564-L566 VanDerWaalsContact C-N 3.25Å; S564-L566 PolarHBondContact O-N 3.18Å; S564-T567 PolarHBondContact O-N 3Å; S564-T567 PolarHBondContact O-OG1 3.44Å; S564-G569 VanDerWaalsContact O-CA 3.26Å; S564-G569 WeakPolarHBondContact O-CA 3.43Å; S564-G569 PolarHBondContact O-N 3.46Å; S564-H571 VanDerWaalsContact CB-CE1 3.49Å; S564-H571 WeakPolarHBondContact CB-CE1 3.46Å; S564-H571 VanDerWaalsContact CB-ND1 3.29Å; S564-H571 WeakPolarHBondContact CB-ND1 3.37Å
565E88.4Confident87.7Confident87 Ų8763.8 Ų63.841%0.40733%0.334SS..G310 helixtrans-70.7-22.2177.1-65179.5-101.500112.6P506 T561 L562 L563 T567P506-E565 HydrophobicContact CG-CG 3.79Å; T561-E565 WeakPolarHBondContact CA-OE1 3.1Å; T561-E565 HydrophobicContact CG2-CB 3.88Å; T561-E565 HydrophobicContact CG2-CG 4.32Å; T561-E565 WeakPolarHBondContact CG2-OE1 3.09Å; L562-E565 HydrophobicContact CB-CG 4.37Å; L562-E565 PolarHBondContact N-OE1 2.95Å; L562-E565 WeakPolarHBondContact O-CB 3.23Å; L562-E565 PolarHBondContact O-N 3.5Å; L562-E565 VanDerWaalsContact O-N 3.12Å; L563-E565 PolarHBondContact O-N 3.19Å; E565-T567 PolarHBondContact O-N 3.39Å
566L85.8Confident87.9Confident85 Ų8563 Ų6345%0.44533%0.327SS..G310 helixtrans-69.1-19.5176.4-59.5173.6000112.6V528 L536 L563 S564V528-L566 HydrophobicContact CG2-CD1 4.43Å; L536-L566 HydrophobicContact CD1-CD1 4.24Å; L563-L566 HydrophobicContact CD2-CD1 3.79Å; L563-L566 VanDerWaalsContact O-CB 3.27Å; L563-L566 WeakPolarHBondContact O-CB 3.21Å; L563-L566 WeakPolarHBondContact O-CG 3.39Å; L563-L566 PolarHBondContact O-N 3.31Å; S564-L566 VanDerWaalsContact C-N 3.25Å; S564-L566 PolarHBondContact O-N 3.18Å
567T86.1Confident88.1Confident32 Ų3256.2 Ų56.220%0.19630%0.297CS..G310 helixtrans-126.131.6-173.545.60000111.8V528 E529 S564 E565 G569 I570V528-T567 HydrophobicContact CB-CG2 3.89Å; V528-T567 HydrophobicContact CG1-CG2 4.41Å; E529-T567 WeakPolarHBondContact O-CG2 3.48Å; S564-T567 PolarHBondContact O-N 3Å; S564-T567 PolarHBondContact O-OG1 3.44Å; E565-T567 PolarHBondContact O-N 3.39Å; T567-G569 PolarHBondContact O-N 3.09Å; T567-G569 VanDerWaalsContact O-N 3.14Å; T567-I570 WeakPolarHBondContact CB-O 3.33Å; T567-I570 PolarHBondContact O-N 2.91Å; T567-I570 PolarHBondContact OG1-O 3.09Å
568A85.9Confident88.1Confident85 Ų8555.5 Ų55.570%0.70230%0.301SS*.THydrogen-bonded Turntrans52.137.2178.500000113.4I570A568-I570 VanDerWaalsContact C-N 3.35Å
569G86.3Confident88.3Confident6 Ų652.6 Ų52.66%0.06229%0.291CS..THydrogen-bonded Turntrans88.8-14.5-179.400000114.7Q503 H504 S564 T567 H571Q503-G569 WeakPolarHBondContact CA-O 3.15Å; H504-G569 WeakPolarHBondContact O-CA 3.34Å; S564-G569 VanDerWaalsContact O-CA 3.26Å; S564-G569 WeakPolarHBondContact O-CA 3.43Å; S564-G569 PolarHBondContact O-N 3.46Å; T567-G569 PolarHBondContact O-N 3.09Å; T567-G569 VanDerWaalsContact O-N 3.14Å; G569-H571 PolarHBondContact O-CE1 2.95Å; G569-H571 PolarHBondContact O-N 3.41Å; G569-H571 PolarHBondContact O-ND1 2.81Å
570I90.5Very high88.4Confident59 Ų5949.4 Ų49.430%0.30328%0.278SS..EExtended strand (participates in β ladder)trans-80.9118.7-177.1-56.7174.6000110.2V502 Q503 T567 A568 Y597V502-I570 WeakPolarHBondContact O-CA 3.11Å; Q503-I570 HydrophobicContact CB-CG1 4.01Å; Q503-I570 VanDerWaalsContact CD-CG1 3.48Å; Q503-I570 HydrophobicContact CG-CG1 3.62Å; T567-I570 WeakPolarHBondContact CB-O 3.33Å; T567-I570 PolarHBondContact O-N 2.91Å; T567-I570 PolarHBondContact OG1-O 3.09Å; A568-I570 VanDerWaalsContact C-N 3.35Å; I570-Y597 HydrophobicContact CD1-CE2 3.98Å; I570-Y597 HydrophobicContact CG1-CE2 4.33Å
571H93.6Very high88.6Confident8 Ų851.7 Ų51.74%0.03728%0.284CS..EExtended strand (participates in β ladder)trans-151.5168.2177.957.5-72000111.6V502 H504 E512 V526 V527 V528 S564 G569 H573V502-H571 VanDerWaalsContact CG2-CE1 3.44Å; V502-H571 WeakPolarHBondContact CG2-CE1 3.42Å; V502-H571 WeakPolarHBondContact CG2-NE2 3.25Å; V502-H571 WeakPolarHBondContact CG2-O 3.31Å; V502-H571 PolarHBondContact N-O 3.15Å; V502-H571 PolarHBondContact O-N 3.36Å; H504-H571 AromaticContact CD2-CE1 3.76Å; H504-H571 AromaticContact CE1-CE1 3.96Å; H504-H571 AromaticContact NE2-CE1 3.22Å; H504-H571 PolarHBondContact NE2-CE1 3.29Å; H504-H571 AromaticContact NE2-NE2 3.65Å; E512-H571 IonicContact OE1-NE2 2.76Å; E512-H571 IonicContact OE2-NE2 3Å; V526-H571 HydrophobicContact CG2-CB 4.26Å; V527-H571 WeakPolarHBondContact O-CB 3.05Å; V528-H571 HydrophobicContact CG1-CB 3.57Å; S564-H571 VanDerWaalsContact CB-CE1 3.49Å; S564-H571 WeakPolarHBondContact CB-CE1 3.46Å; S564-H571 VanDerWaalsContact CB-ND1 3.29Å; S564-H571 WeakPolarHBondContact CB-ND1 3.37Å; G569-H571 PolarHBondContact O-CE1 2.95Å; G569-H571 PolarHBondContact O-N 3.41Å; G569-H571 PolarHBondContact O-ND1 2.81Å; H571-H573 AromaticContact CD2-CD2 3.68Å; H571-H573 AromaticContact CD2-NE2 3.28Å; H571-H573 PolarHBondContact CD2-NE2 3.3Å; H571-H573 VanDerWaalsContact CD2-NE2 3.28Å; H571-H573 AromaticContact NE2-CD2 3.82Å; H571-H573 AromaticContact NE2-NE2 3.25Å; H571-H573 PolarHBondContact NE2-NE2 3.46Å
572L93.9Very high88.8Confident63 Ų6348.5 Ų48.533%0.3326%0.263SS..EExtended strand (participates in β ladder)trans-110.7149.3175.2-47173.5000110.8I500 A501 V526 V527I500-L572 CarbonylContact O-C 3.52Å; I500-L572 WeakPolarHBondContact O-CA 3.46Å; A501-L572 HydrophobicContact CB-CD2 3.46Å; A501-L572 VanDerWaalsContact CB-CD2 3.46Å; V526-L572 CarbonylContact C-O 3.56Å; V526-L572 WeakPolarHBondContact CA-O 3.37Å; V527-L572 HydrophobicContact CB-CB 4.17Å; V527-L572 PolarHBondContact N-O 3.25Å; V527-L572 PolarHBondContact O-N 3.11Å
573H94.3Very high89Confident4 Ų447.7 Ų47.72%0.01926%0.259CS..EExtended strand (participates in β ladder)trans-121.6132.9166.3-78.7-69.2000110.1K499 I500 E512 V523 D525 H571 I575K499-H573 CarbonylContact C-O 3.57Å; K499-H573 VanDerWaalsContact CA-O 3.26Å; K499-H573 WeakPolarHBondContact CA-O 3.49Å; I500-H573 HydrophobicContact CG1-CB 4.25Å; I500-H573 PolarHBondContact N-O 3Å; I500-H573 PolarHBondContact O-N 2.92Å; E512-H573 IonicContact OE1-CD2 3.77Å; E512-H573 PolarHBondContact OE1-CD2 2.95Å; E512-H573 IonicContact OE1-NE2 3.41Å; E512-H573 PolarHBondContact OE1-NE2 2.9Å; E512-H573 VanDerWaalsContact OE1-NE2 3.1Å; E512-H573 IonicContact OE2-NE2 2.68Å; V523-H573 HydrophobicContact CG1-CB 4.43Å; V523-H573 WeakPolarHBondContact CG1-ND1 3.31Å; D525-H573 WeakPolarHBondContact O-CA 3.41Å; D525-H573 PolarHBondContact O-ND1 3.34Å; H571-H573 AromaticContact CD2-CD2 3.68Å; H571-H573 AromaticContact CD2-NE2 3.28Å; H571-H573 PolarHBondContact CD2-NE2 3.3Å; H571-H573 VanDerWaalsContact CD2-NE2 3.28Å; H571-H573 AromaticContact NE2-CD2 3.82Å; H571-H573 AromaticContact NE2-NE2 3.25Å; H571-H573 PolarHBondContact NE2-NE2 3.46Å; H573-I575 HydrophobicContact CB-CG1 4.17Å
574T92.6Very high89.2Confident13 Ų1349.1 Ų49.18%0.0827%0.27CS..EExtended strand (participates in β ladder)trans-81.4119.7161.3-51.60000108.4I497 K499 I524 D525I497-T574 HydrophobicContact CG2-CG2 3.25Å; K499-T574 WeakPolarHBondContact CE-OG1 3.5Å; I524-T574 HydrophobicContact CB-CG2 4.44Å; I524-T574 VanDerWaalsContact CB-O 3.32Å; I524-T574 WeakPolarHBondContact CB-O 3.37Å; I524-T574 HydrophobicContact CD1-CG2 3.97Å; I524-T574 PolarHBondContact N-O 3.16Å; D525-T574 VanDerWaalsContact CG-OG1 3.28Å; D525-T574 WeakPolarHBondContact OD1-CB 3.47Å; D525-T574 PolarHBondContact OD1-N 2.88Å; D525-T574 PolarHBondContact OD1-OG1 2.87Å; D525-T574 PolarHBondContact OD2-OG1 3.1Å; D525-T574 VanDerWaalsContact OD2-OG1 3.04Å
575I91.9Very high89.6Confident0 Ų053.6 Ų53.60%029%0.29CS..EExtended strand (participates in β ladder)trans-114.8130.4-178.1-58.3171.2000109.6I497 S498 I500 I516 E522 H573 Y577 I586I497-I575 WeakPolarHBondContact CA-O 3.39Å; S498-I575 PolarHBondContact N-O 3.33Å; S498-I575 PolarHBondContact O-N 3.5Å; I500-I575 HydrophobicContact CB-CD1 4.47Å; I500-I575 HydrophobicContact CD1-CD1 3.29Å; I500-I575 HydrophobicContact CG1-CD1 3.51Å; I500-I575 HydrophobicContact CG1-CG1 4.39Å; I500-I575 HydrophobicContact CG2-CD1 4.18Å; I516-I575 HydrophobicContact CD1-CD1 3.91Å; I516-I575 HydrophobicContact CG1-CD1 4.2Å; I516-I575 HydrophobicContact CG2-CD1 3.86Å; I516-I575 HydrophobicContact CG2-CG1 4.2Å; I516-I575 HydrophobicContact CG2-CG2 3.91Å; E522-I575 CarbonylContact O-C 3.34Å; E522-I575 VanDerWaalsContact O-CA 3.24Å; E522-I575 WeakPolarHBondContact O-CA 3.42Å; H573-I575 HydrophobicContact CB-CG1 4.17Å; I575-Y577 HydrophobicContact CG2-CD1 4.28Å; I575-I586 HydrophobicContact CD1-CG2 4.34Å; I575-I586 HydrophobicContact CG2-CD1 4.35Å
576A89.7Confident89.8Confident3 Ų349.4 Ų49.43%0.02527%0.271CS..EExtended strand (participates in β ladder)trans-97.7138.9167.900000111.5K495 L496 I497 G521 E522 I524K495-A576 HydrophobicContact CB-CB 4.08Å; K495-A576 HydrophobicContact CD-CB 4.02Å; L496-A576 CarbonylContact O-C 3.53Å; L496-A576 VanDerWaalsContact O-CA 3.28Å; L496-A576 WeakPolarHBondContact O-CA 3.49Å; I497-A576 HydrophobicContact CG1-CB 4.41Å; G521-A576 CarbonylContact C-O 3.32Å; G521-A576 WeakPolarHBondContact CA-O 3.24Å; E522-A576 HydrophobicContact CB-CB 4.18Å; E522-A576 PolarHBondContact N-O 2.86Å; E522-A576 PolarHBondContact O-N 3.08Å; I524-A576 HydrophobicContact CD1-CB 3.73Å; I524-A576 HydrophobicContact CG1-CB 4.3Å
577Y91.3Very high90.2Very high20 Ų2049.2 Ų49.28%0.07827%0.266CS..EExtended strand (participates in β ladder)trans-150.4160.8-178.151.9-89.6000111.3L496 I575 A579 L583L496-Y577 HydrophobicContact CB-CD2 3.82Å; L496-Y577 HydrophobicContact CB-CE1 4.49Å; L496-Y577 HydrophobicContact CB-CE2 3.38Å; L496-Y577 HydrophobicContact CD1-CD2 4.34Å; L496-Y577 HydrophobicContact CD1-CE2 3.85Å; L496-Y577 HydrophobicContact CG-CE2 4.27Å; L496-Y577 PolarHBondContact N-O 2.84Å; L496-Y577 PolarHBondContact O-N 3.41Å; I575-Y577 HydrophobicContact CG2-CD1 4.28Å; Y577-A579 WeakPolarHBondContact CD2-O 3.41Å; Y577-L583 HydrophobicContact CD1-CB 4.22Å; Y577-L583 HydrophobicContact CD1-CD1 4.38Å; Y577-L583 HydrophobicContact CD2-CB 4.22Å; Y577-L583 HydrophobicContact CE1-CB 3.99Å; Y577-L583 HydrophobicContact CE1-CD1 4.01Å; Y577-L583 HydrophobicContact CE1-CD2 4.01Å; Y577-L583 HydrophobicContact CE1-CG 4.22Å; Y577-L583 HydrophobicContact CE2-CB 3.96Å; Y577-L583 HydrophobicContact CG-CB 4.35Å; Y577-L583 WeakPolarHBondContact OH-CD2 3.42Å
578E86.6Confident90.5Very high156 Ų15653 Ų5373%0.72928%0.282SS*.SBendtrans-86.9-38.5-175.7-65.6-171.8177.400113.2
579A86.7Confident90.9Very high34 Ų3449.5 Ų49.528%0.28125%0.253SS..SBendtrans-134.1151.7-177.600000111.8Y577 E581 N582Y577-A579 WeakPolarHBondContact CD2-O 3.41Å; A579-E581 VanDerWaalsContact CB-OE2 3.25Å; A579-E581 WeakPolarHBondContact CB-OE2 3.5Å; A579-E581 PolarHBondContact O-N 3.42Å; A579-N582 PolarHBondContact N-OD1 3.14Å; A579-N582 VanDerWaalsContact N-OD1 3.16Å; A579-N582 WeakPolarHBondContact O-CB 3.45Å; A579-N582 PolarHBondContact O-N 3.11Å; A579-N582 PolarHBondContact O-OD1 3.16Å
580I85.6Confident91.3Very high112 Ų11249.2 Ų49.257%0.57425%0.25SS*.Hα-helixtrans-61.8-28.2-176.5-67.2169.6000111.3L496 N582 L583 T584L496-I580 HydrophobicContact CD1-CG1 3.94Å; I580-N582 VanDerWaalsContact C-N 3.31Å; I580-N582 PolarHBondContact O-N 3.23Å; I580-L583 PolarHBondContact O-N 3.19Å; I580-T584 PolarHBondContact O-N 3.23Å; I580-T584 VanDerWaalsContact O-N 3.13Å; I580-T584 PolarHBondContact O-OG1 2.87Å
581E87.9Confident91.3Very high123 Ų12347.7 Ų47.758%0.57525%0.245SC*.Hα-helixtrans-58.6-41.4174.3-64.273.1-162.500111.3A579 L583 T584 E585A579-E581 VanDerWaalsContact CB-OE2 3.25Å; A579-E581 WeakPolarHBondContact CB-OE2 3.5Å; A579-E581 PolarHBondContact O-N 3.42Å; E581-L583 PolarHBondContact O-N 2.77Å; E581-T584 WeakPolarHBondContact O-CB 3.23Å; E581-T584 PolarHBondContact O-N 2.9Å; E581-T584 VanDerWaalsContact O-N 3.13Å; E581-E585 WeakPolarHBondContact O-CG 3.49Å; E581-E585 PolarHBondContact O-N 3.39Å
582N89.9Confident91.3Very high38 Ų3854.2 Ų54.220%0.20328%0.275CS..Hα-helixtrans-59.2-45.8176.7-63.3110.3000111.5H519 A579 I580 T584 E585 I586H519-N582 WeakPolarHBondContact O-CB 3.33Å; H519-N582 PolarHBondContact O-ND2 3.34Å; A579-N582 PolarHBondContact N-OD1 3.14Å; A579-N582 VanDerWaalsContact N-OD1 3.16Å; A579-N582 WeakPolarHBondContact O-CB 3.45Å; A579-N582 PolarHBondContact O-N 3.11Å; A579-N582 PolarHBondContact O-OD1 3.16Å; I580-N582 VanDerWaalsContact C-N 3.31Å; I580-N582 PolarHBondContact O-N 3.23Å; N582-T584 VanDerWaalsContact C-N 3.27Å; N582-T584 PolarHBondContact O-N 3.29Å; N582-E585 PolarHBondContact O-N 3.4Å; N582-I586 WeakPolarHBondContact O-CB 3.43Å; N582-I586 WeakPolarHBondContact O-CD1 3.5Å; N582-I586 WeakPolarHBondContact O-CG1 3.29Å; N582-I586 PolarHBondContact O-N 3.25Å
583L91.5Very high91.2Very high16 Ų1655.3 Ų55.38%0.08428%0.277CS..Hα-helixtrans-62.7-38.6178.1-179.565.8000111.5I500 Y577 I580 E581 I586 K587I500-L583 HydrophobicContact CG2-CD1 4.1Å; Y577-L583 HydrophobicContact CD1-CB 4.22Å; Y577-L583 HydrophobicContact CD1-CD1 4.38Å; Y577-L583 HydrophobicContact CD2-CB 4.22Å; Y577-L583 HydrophobicContact CE1-CB 3.99Å; Y577-L583 HydrophobicContact CE1-CD1 4.01Å; Y577-L583 HydrophobicContact CE1-CD2 4.01Å; Y577-L583 HydrophobicContact CE1-CG 4.22Å; Y577-L583 HydrophobicContact CE2-CB 3.96Å; Y577-L583 HydrophobicContact CG-CB 4.35Å; Y577-L583 WeakPolarHBondContact OH-CD2 3.42Å; I580-L583 PolarHBondContact O-N 3.19Å; E581-L583 PolarHBondContact O-N 2.77Å; L583-I586 PolarHBondContact O-N 2.72Å; L583-K587 HydrophobicContact CD1-CG 4.44Å; L583-K587 HydrophobicContact CG-CD 4.39Å; L583-K587 WeakPolarHBondContact O-CB 3.48Å; L583-K587 WeakPolarHBondContact O-CG 3.42Å; L583-K587 PolarHBondContact O-N 3.48Å
584T89.8Confident91.1Very high82 Ų8256 Ų5650%0.50329%0.286SS..Hα-helixtrans-65.3-45.7179.7-51.60000110.6I580 E581 N582 K587 Q588I580-T584 PolarHBondContact O-N 3.23Å; I580-T584 VanDerWaalsContact O-N 3.13Å; I580-T584 PolarHBondContact O-OG1 2.87Å; E581-T584 WeakPolarHBondContact O-CB 3.23Å; E581-T584 PolarHBondContact O-N 2.9Å; E581-T584 VanDerWaalsContact O-N 3.13Å; N582-T584 VanDerWaalsContact C-N 3.27Å; N582-T584 PolarHBondContact O-N 3.29Å; T584-K587 PolarHBondContact O-N 3.11Å; T584-Q588 WeakPolarHBondContact O-CB 3.37Å; T584-Q588 PolarHBondContact O-N 3.32Å
585E93.2Very high91.1Very high99 Ų9955.4 Ų55.446%0.46328%0.282SS..Hα-helixtrans-63.3-42.8175.2-70.4179-176.200112.3H519 E581 N582 Q588 A589H519-E585 HydrophobicContact CB-CB 4.39Å; H519-E585 IonicContact CD2-OE2 3Å; E581-E585 WeakPolarHBondContact O-CG 3.49Å; E581-E585 PolarHBondContact O-N 3.39Å; N582-E585 PolarHBondContact O-N 3.4Å; E585-Q588 PolarHBondContact O-N 2.95Å; E585-A589 VanDerWaalsContact O-CB 3.32Å; E585-A589 WeakPolarHBondContact O-CB 3.36Å; E585-A589 PolarHBondContact O-N 3.47Å
586I93.9Very high91.1Very high0 Ų056.4 Ų56.40%029%0.287CS..Hα-helixtrans-58.4-51175.6-70163.3000110.5I516 H519 I575 N582 L583 Q588 A589 L590I516-I586 HydrophobicContact CB-CG2 4.49Å; I516-I586 HydrophobicContact CG1-CG2 4.05Å; I516-I586 HydrophobicContact CG2-CD1 4.23Å; I516-I586 HydrophobicContact CG2-CG2 4.47Å; H519-I586 HydrophobicContact CB-CD1 4.47Å; H519-I586 HydrophobicContact CB-CG1 3.53Å; I575-I586 HydrophobicContact CD1-CG2 4.34Å; I575-I586 HydrophobicContact CG2-CD1 4.35Å; N582-I586 WeakPolarHBondContact O-CB 3.43Å; N582-I586 WeakPolarHBondContact O-CD1 3.5Å; N582-I586 WeakPolarHBondContact O-CG1 3.29Å; N582-I586 PolarHBondContact O-N 3.25Å; L583-I586 PolarHBondContact O-N 2.72Å; I586-Q588 VanDerWaalsContact C-N 3.35Å; I586-Q588 PolarHBondContact O-N 3.06Å; I586-A589 PolarHBondContact O-N 3.42Å; I586-L590 HydrophobicContact CG2-CD1 3.75Å; I586-L590 HydrophobicContact CG2-CG 4.38Å; I586-L590 WeakPolarHBondContact O-CB 3.49Å; I586-L590 VanDerWaalsContact O-CG 3.29Å; I586-L590 WeakPolarHBondContact O-CG 3.46Å; I586-L590 PolarHBondContact O-N 2.9Å
587K92.8Very high91Very high81 Ų8160.5 Ų60.535%0.35230%0.303SS..Hα-helixtrans-61.5-44.1-180-77-177.8176.3-177.30111.4I500 L583 T584 L590 S591 L596I500-K587 HydrophobicContact CG2-CG 4.36Å; L583-K587 HydrophobicContact CD1-CG 4.44Å; L583-K587 HydrophobicContact CG-CD 4.39Å; L583-K587 WeakPolarHBondContact O-CB 3.48Å; L583-K587 WeakPolarHBondContact O-CG 3.42Å; L583-K587 PolarHBondContact O-N 3.48Å; T584-K587 PolarHBondContact O-N 3.11Å; K587-L590 PolarHBondContact O-N 2.97Å; K587-S591 VanDerWaalsContact O-CB 3.28Å; K587-S591 WeakPolarHBondContact O-CB 3.5Å; K587-S591 PolarHBondContact O-N 3.15Å; K587-L596 HydrophobicContact CB-CD2 4.06Å; K587-L596 HydrophobicContact CG-CD1 4.41Å; K587-L596 HydrophobicContact CG-CD2 4.32Å
588Q92.2Very high90.4Very high110 Ų11063.3 Ų63.351%0.51432%0.316SS..Hα-helixtrans-62.2-48.9178.2-175.4175-12.600111.5T584 E585 I586 L590 S591 E592T584-Q588 WeakPolarHBondContact O-CB 3.37Å; T584-Q588 PolarHBondContact O-N 3.32Å; E585-Q588 PolarHBondContact O-N 2.95Å; I586-Q588 VanDerWaalsContact C-N 3.35Å; I586-Q588 PolarHBondContact O-N 3.06Å; Q588-L590 VanDerWaalsContact C-N 3.35Å; Q588-L590 PolarHBondContact O-N 3.39Å; Q588-S591 PolarHBondContact O-N 3.39Å; Q588-S591 VanDerWaalsContact O-N 3.16Å; Q588-E592 WeakPolarHBondContact CG-OE1 3.46Å; Q588-E592 PolarHBondContact NE2-OE1 3.34Å; Q588-E592 WeakPolarHBondContact O-CG 3.28Å; Q588-E592 PolarHBondContact O-N 3.18Å
589A94.3Very high89Confident13 Ų1364.8 Ų64.811%0.10732%0.324CS..Hα-helixtrans-63.5-38.3179.800000112.7T515 E585 I586 K593T515-A589 HydrophobicContact CG2-CB 3.51Å; E585-A589 VanDerWaalsContact O-CB 3.32Å; E585-A589 WeakPolarHBondContact O-CB 3.36Å; E585-A589 PolarHBondContact O-N 3.47Å; I586-A589 PolarHBondContact O-N 3.42Å; A589-K593 VanDerWaalsContact O-CG 3.3Å; A589-K593 WeakPolarHBondContact O-CG 3.34Å; A589-K593 PolarHBondContact O-N 3.24Å
590L95.4Very high87.2Confident0 Ų070.1 Ų70.10%035%0.347CS..Hα-helixtrans-69.1-36.1174.2-70.5173.2000112.1I500 V502 E512 T515 I516 I586 K587 Q588 K593 G594 I595 L596I500-L590 HydrophobicContact CD1-CD1 3.43Å; I500-L590 VanDerWaalsContact CD1-CD1 3.43Å; V502-L590 HydrophobicContact CG1-CD1 4.32Å; E512-L590 HydrophobicContact CG-CD2 4.1Å; T515-L590 HydrophobicContact CG2-CD2 3.91Å; T515-L590 HydrophobicContact CG2-CG 4.09Å; I516-L590 HydrophobicContact CG1-CD1 4.09Å; I586-L590 HydrophobicContact CG2-CD1 3.75Å; I586-L590 HydrophobicContact CG2-CG 4.38Å; I586-L590 WeakPolarHBondContact O-CB 3.49Å; I586-L590 VanDerWaalsContact O-CG 3.29Å; I586-L590 WeakPolarHBondContact O-CG 3.46Å; I586-L590 PolarHBondContact O-N 2.9Å; K587-L590 PolarHBondContact O-N 2.97Å; Q588-L590 VanDerWaalsContact C-N 3.35Å; Q588-L590 PolarHBondContact O-N 3.39Å; L590-K593 PolarHBondContact O-N 2.87Å; L590-G594 PolarHBondContact O-N 3.11Å; L590-G594 VanDerWaalsContact O-N 3.12Å; L590-I595 HydrophobicContact CD2-CB 4.14Å; L590-I595 HydrophobicContact CD2-CD1 4.38Å; L590-I595 HydrophobicContact CD2-CG2 3.95Å; L590-I595 PolarHBondContact O-N 3.21Å; L590-L596 HydrophobicContact CB-CB 3.95Å; L590-L596 HydrophobicContact CB-CD1 4.48Å; L590-L596 PolarHBondContact O-N 2.98Å
591S91.8Very high85.3Confident27 Ų2771.5 Ų71.519%0.18935%0.345CS..Hα-helixtrans-67.9-43.5176.5-176.40000111.9K587 Q588 K593 G594 E598 R601K587-S591 VanDerWaalsContact O-CB 3.28Å; K587-S591 WeakPolarHBondContact O-CB 3.5Å; K587-S591 PolarHBondContact O-N 3.15Å; Q588-S591 PolarHBondContact O-N 3.39Å; Q588-S591 VanDerWaalsContact O-N 3.16Å; S591-K593 PolarHBondContact O-N 3.46Å; S591-G594 WeakPolarHBondContact O-CA 3.46Å; S591-G594 PolarHBondContact O-N 3.22Å; S591-E598 VanDerWaalsContact CB-OE1 3.29Å; S591-E598 WeakPolarHBondContact CB-OE1 3.4Å; S591-E598 PolarHBondContact OG-OE1 3.16Å; S591-R601 PolarHBondContact O-NH2 2.88Å
592E92Very high82.6Confident145 Ų14572.9 Ų72.968%0.67835%0.351SS*.Hα-helixtrans-59.7-34.9175.5-74.5175.8-170.300112.4Q588 G594Q588-E592 WeakPolarHBondContact CG-OE1 3.46Å; Q588-E592 PolarHBondContact NE2-OE1 3.34Å; Q588-E592 WeakPolarHBondContact O-CG 3.28Å; Q588-E592 PolarHBondContact O-N 3.18Å; E592-G594 VanDerWaalsContact C-N 3.29Å
593K93Very high79.9Confident85 Ų8581 Ų8137%0.3740%0.402SS..THydrogen-bonded Turntrans-82-7.1174.1-68.3175.7171.7-155.10113.9E511 T515 A589 L590 S591 I595E511-K593 HydrophobicContact CG-CD 3.91Å; E511-K593 VanDerWaalsContact OE1-CD 3.32Å; E511-K593 WeakPolarHBondContact OE1-CD 3.4Å; E511-K593 WeakPolarHBondContact OE1-CE 3.39Å; E511-K593 IonicContact OE1-NZ 3.63Å; E511-K593 PolarHBondContact OE1-NZ 3.26Å; T515-K593 HydrophobicContact CG2-CD 4.45Å; T515-K593 PolarHBondContact OG1-NZ 2.8Å; A589-K593 VanDerWaalsContact O-CG 3.3Å; A589-K593 WeakPolarHBondContact O-CG 3.34Å; A589-K593 PolarHBondContact O-N 3.24Å; L590-K593 PolarHBondContact O-N 2.87Å; S591-K593 PolarHBondContact O-N 3.46Å; K593-I595 VanDerWaalsContact C-N 3.31Å; K593-I595 HydrophobicContact CB-CD1 3.98Å; K593-I595 HydrophobicContact CB-CG1 4.13Å; K593-I595 HydrophobicContact CD-CD1 4.42Å; K593-I595 PolarHBondContact O-N 3.04Å
594G90.5Very high79.3Confident19 Ų1984.3 Ų84.320%0.19642%0.418CS..THydrogen-bonded Turntrans70.424.1-178.900000115.4L590 S591 E592 R601L590-G594 PolarHBondContact O-N 3.11Å; L590-G594 VanDerWaalsContact O-N 3.12Å; S591-G594 WeakPolarHBondContact O-CA 3.46Å; S591-G594 PolarHBondContact O-N 3.22Å; E592-G594 VanDerWaalsContact C-N 3.29Å; G594-R601 PolarHBondContact O-NH1 3.15Å
595I93.7Very high78.8Confident0 Ų084.4 Ų84.40%041%0.413CS..  trans-94.1-32.8179.3-64.5172.3000111.2V502 Q503 H504 E511 E512 L590 K593 Y597V502-I595 CarbonylContact C-O 3.46Å; V502-I595 VanDerWaalsContact CA-O 3.27Å; V502-I595 WeakPolarHBondContact CA-O 3.48Å; V502-I595 HydrophobicContact CB-CG2 4.09Å; V502-I595 HydrophobicContact CG1-CG2 4.1Å; Q503-I595 PolarHBondContact N-O 3Å; H504-I595 HydrophobicContact CB-CG1 4.27Å; H504-I595 HydrophobicContact CB-CG2 4.22Å; E511-I595 HydrophobicContact CB-CD1 4.45Å; E511-I595 HydrophobicContact CG-CD1 4.07Å; E512-I595 HydrophobicContact CB-CD1 4.21Å; E512-I595 HydrophobicContact CB-CG2 4.12Å; E512-I595 HydrophobicContact CG-CG2 3.91Å; L590-I595 HydrophobicContact CD2-CB 4.14Å; L590-I595 HydrophobicContact CD2-CD1 4.38Å; L590-I595 HydrophobicContact CD2-CG2 3.95Å; L590-I595 PolarHBondContact O-N 3.21Å; K593-I595 VanDerWaalsContact C-N 3.31Å; K593-I595 HydrophobicContact CB-CD1 3.98Å; K593-I595 HydrophobicContact CB-CG1 4.13Å; K593-I595 HydrophobicContact CD-CD1 4.42Å; K593-I595 PolarHBondContact O-N 3.04Å; I595-Y597 PolarHBondContact O-N 2.85Å
596L92.7Very high78Confident21 Ų2183.6 Ų83.611%0.1141%0.411CS..BIsolated β-bridgetrans-66.3130.2177.9-166.371.9000110.2I500 A501 K587 L590 E598I500-L596 HydrophobicContact CB-CD1 4.41Å; I500-L596 HydrophobicContact CD1-CD1 4.47Å; A501-L596 WeakPolarHBondContact O-CD1 3.18Å; K587-L596 HydrophobicContact CB-CD2 4.06Å; K587-L596 HydrophobicContact CG-CD1 4.41Å; K587-L596 HydrophobicContact CG-CD2 4.32Å; L590-L596 HydrophobicContact CB-CB 3.95Å; L590-L596 HydrophobicContact CB-CD1 4.48Å; L590-L596 PolarHBondContact O-N 2.98Å; L596-E598 HydrophobicContact CD2-CG 4.15Å; L596-E598 HydrophobicContact CG-CG 4.32Å; L596-E598 PolarHBondContact O-N 3.37Å
597Y87.3Confident77Confident89 Ų8988.5 Ų88.535%0.34944%0.435SS..  trans-82.5110.8177.9-170.1-106.3000109.9A501 Q503 I570 I595A501-Y597 HydrophobicContact CB-CD1 4.4Å; A501-Y597 PolarHBondContact O-N 3.3Å; Q503-Y597 HydrophobicContact CB-CD2 3.68Å; Q503-Y597 HydrophobicContact CB-CE2 4.48Å; Q503-Y597 HydrophobicContact CB-CG 4.42Å; Q503-Y597 HydrophobicContact CG-CD2 4.47Å; Q503-Y597 VanDerWaalsContact OE1-CD2 3.31Å; I570-Y597 HydrophobicContact CD1-CE2 3.98Å; I570-Y597 HydrophobicContact CG1-CE2 4.33Å; I595-Y597 PolarHBondContact O-N 2.85Å
598E79Confident76.1Confident79 Ų7988.9 Ų88.937%0.36944%0.44SS..  trans-120.5136.5-177.8-63.9176.2168.200110S591 L596 N600 R601S591-E598 VanDerWaalsContact CB-OE1 3.29Å; S591-E598 WeakPolarHBondContact CB-OE1 3.4Å; S591-E598 PolarHBondContact OG-OE1 3.16Å; L596-E598 HydrophobicContact CD2-CG 4.15Å; L596-E598 HydrophobicContact CG-CG 4.32Å; L596-E598 PolarHBondContact O-N 3.37Å; E598-N600 PolarHBondContact O-N 2.93Å; E598-R601 PolarHBondContact O-N 3.03Å
599E57Low75Confident188 Ų18887.5 Ų87.588%0.87944%0.435SS*.THydrogen-bonded Turntrans-53.5-18.8-173.9-85.8-179.3150.300115.2
600N48.1Very low73.6Confident146 Ų14692.9 Ų92.978%0.78146%0.458SS*.THydrogen-bonded Turntrans-100.512.7-169.3-72.4-37.6000116E598E598-N600 PolarHBondContact O-N 2.93Å
601R45Very low71.9Confident141 Ų141100 Ų10053%0.53249%0.494SS..  trans-923.5-179.6-84.3-169.9179.8-164.92.2116.6S591 G594 E598 V603S591-R601 PolarHBondContact O-NH2 2.88Å; G594-R601 PolarHBondContact O-NH1 3.15Å; E598-R601 PolarHBondContact O-N 3.03Å; R601-V603 PolarHBondContact O-N 3.41Å
602H32.3Very low70.3Confident152 Ų152106.1 Ų106.170%0.70452%0.519SS*.  trans-96.886.5168.4-64.2-56000110.3
603V33Very low68.3Low208 Ų208102.5 Ų102.5100%1.26150%0.504SS*.  trans-111.10159.3-177.70000108.7R601R601-V603 PolarHBondContact O-N 3.41Å

Retrieved 603 of 603 residues in 1078 ms (Link to these results)

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