A0A077YW08_TRITR Loading...

Dynactin subunit 4

AlphaFold DB , UniProt , Accession A0A077YW08, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 272 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
1M44.3Very low72.8Confident212 Ų21299.5 Ų99.5100%1.04453%0.531SS*.  0-210-71.8-173.794.900114.1T3M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 3.38Å
2S50.8Low74.3Confident77 Ų7792.5 Ų92.554%0.53849%0.492SS..THydrogen-bonded Turntrans-69.1-17.617954.50000115V7S2-V7 WeakPolarHBondContact O-CG2 3.41Å
3T58.8Low75.6Confident133 Ų13392.3 Ų92.382%0.81649%0.49SS*.THydrogen-bonded Turntrans-93.3-10.3-174.550.90000114.4M1M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 3.38Å
4L68.5Low76.9Confident145 Ų14585.9 Ų85.976%0.75946%0.456SS*.SBendtrans-76.6-33-179.3-171.769.4000111.9
5Y73.9Confident77.8Confident149 Ų14985.3 Ų85.358%0.58446%0.457SS*.SBendtrans-98.1148.6173.4-64.5-75.9000109.6V7Y5-V7 PolarHBondContact O-N 3.07Å
6D78.1Confident78.8Confident98 Ų9883.7 Ų83.752%0.52445%0.454SS..  trans-73.178.7172.4-173.84.5000110.2E8 A9 R192D6-E8 PolarHBondContact O-N 2.88Å; D6-E8 PolarHBondContact OD1-N 3.38Å; D6-A9 HydrophobicContact CB-CB 4.5Å; D6-A9 WeakPolarHBondContact O-CB 3.44Å; D6-A9 PolarHBondContact O-N 3.38Å; D6-A9 PolarHBondContact OD1-N 3.43Å; D6-R192 IonicContact OD2-NH2 2.91Å
7V83.3Confident79.7Confident35 Ų3581.2 Ų81.221%0.21245%0.452CS..THydrogen-bonded Turntrans-68.6-12.3179.9179.40000111.7S2 Y5 P21 C23S2-V7 WeakPolarHBondContact O-CG2 3.41Å; Y5-V7 PolarHBondContact O-N 3.07Å; V7-P21 HydrophobicContact CG1-CB 3.63Å; V7-P21 HydrophobicContact CG1-CG 4.42Å; V7-P21 WeakPolarHBondContact O-CB 3.25Å; V7-P21 WeakPolarHBondContact O-CG 3.31Å; V7-C23 HydrophobicContact CG1-CB 4.33Å; V7-C23 WeakPolarHBondContact CG1-SG 3.28Å
8E85.8Confident80.4Confident74 Ų7481.9 Ų81.935%0.34646%0.455SS..THydrogen-bonded Turntrans-84-13.1176.8-65.4-66.6158.900113D6 K11 P21 R24D6-E8 PolarHBondContact O-N 2.88Å; D6-E8 PolarHBondContact OD1-N 3.38Å; E8-K11 WeakPolarHBondContact O-CE 3.28Å; E8-K11 VanDerWaalsContact OE2-CE 3.27Å; E8-K11 WeakPolarHBondContact OE2-CE 3.27Å; E8-K11 IonicContact OE2-NZ 3.63Å; E8-K11 PolarHBondContact OE2-NZ 3.33Å; E8-P21 WeakPolarHBondContact OE2-CG 3.46Å; E8-R24 IonicContact OE1-CZ 3.7Å; E8-R24 IonicContact OE1-NH1 2.76Å; E8-R24 PolarHBondContact OE1-NH1 3.45Å; E8-R24 IonicContact OE1-NH2 3.32Å; E8-R24 PolarHBondContact OE1-NH2 2.8Å
9A83.1Confident81.1Confident55 Ų5586.1 Ų86.146%0.45546%0.463SS..SBendtrans-68.3-39.6179.300000113.1D6D6-A9 HydrophobicContact CB-CB 4.5Å; D6-A9 WeakPolarHBondContact O-CB 3.44Å; D6-A9 PolarHBondContact O-N 3.38Å; D6-A9 PolarHBondContact OD1-N 3.43Å
10T84.2Confident81.7Confident30 Ų3083 Ų8318%0.18445%0.447CS..SBendtrans-112.1115.6-178.152.80000110.5V187 L189T10-V187 WeakPolarHBondContact CG2-O 3.47Å; T10-V187 PolarHBondContact OG1-O 3.38Å; T10-L189 HydrophobicContact CG2-CG 4.05Å
11K90.2Very high82.2Confident86 Ų8679.1 Ų79.137%0.37443%0.427SS..EExtended strand (participates in β ladder)trans-119.6157.7-177.2-60.5-175.5-177.1-172.60111.1E8 W19E8-K11 WeakPolarHBondContact O-CE 3.28Å; E8-K11 VanDerWaalsContact OE2-CE 3.27Å; E8-K11 WeakPolarHBondContact OE2-CE 3.27Å; E8-K11 IonicContact OE2-NZ 3.63Å; E8-K11 PolarHBondContact OE2-NZ 3.33Å; K11-W19 HydrophobicContact CB-CB 3.87Å; K11-W19 HydrophobicContact CB-CE3 3.97Å; K11-W19 HydrophobicContact CD-CB 3.91Å; K11-W19 WeakPolarHBondContact O-CZ3 3.41Å
12Y90.6Very high84.4Confident16 Ų1669.4 Ų69.46%0.06338%0.379CS..EExtended strand (participates in β ladder)trans-122.7148.8178-69.5-111000108.9C14 W19 V20 L22 L25 L34 V184 P185 E186 V187 F219Y12-C14 PolarHBondContact O-N 2.94Å; Y12-W19 WeakPolarHBondContact O-CA 3.41Å; Y12-V20 PolarHBondContact N-O 2.78Å; Y12-V20 PolarHBondContact O-N 3.11Å; Y12-L22 HydrophobicContact CD1-CD1 3.98Å; Y12-L22 HydrophobicContact CD2-CB 3.8Å; Y12-L22 HydrophobicContact CD2-CD1 3.91Å; Y12-L22 HydrophobicContact CD2-CG 4.36Å; Y12-L22 HydrophobicContact CE1-CD1 3.98Å; Y12-L22 HydrophobicContact CE2-CB 3.69Å; Y12-L22 HydrophobicContact CE2-CD1 3.98Å; Y12-L22 HydrophobicContact CE2-CD2 4.11Å; Y12-L22 HydrophobicContact CE2-CG 4.14Å; Y12-L22 HydrophobicContact CG-CD1 3.93Å; Y12-L25 VanDerWaalsContact CB-CD1 3.49Å; Y12-L25 HydrophobicContact CG-CD1 4.45Å; Y12-L34 HydrophobicContact CD1-CD1 4.37Å; Y12-V184 HydrophobicContact CE1-CG1 4.21Å; Y12-P185 PolarHBondContact OH-O 2.95Å; Y12-E186 WeakPolarHBondContact OH-CA 3.21Å; Y12-V187 WeakPolarHBondContact OH-CG2 3.42Å; Y12-V187 PolarHBondContact OH-N 3.33Å; Y12-F219 AromaticContact CD1-CE1 3.93Å; Y12-F219 HydrophobicContact CD1-CE1 3.93Å; Y12-F219 HydrophobicContact CD1-CZ 4.31Å; Y12-F219 AromaticContact CE1-CE1 3.71Å; Y12-F219 HydrophobicContact CE1-CE1 3.71Å; Y12-F219 AromaticContact CE1-CZ 3.87Å; Y12-F219 HydrophobicContact CE1-CZ 3.87Å
13L91.4Very high86.3Confident90 Ų9067.2 Ų67.247%0.47136%0.363SS..EExtended strand (participates in β ladder)trans-80.9119.6-177.9-16767.9000110.3G17 W19L13-G17 VanDerWaalsContact CD1-O 3.26Å; L13-G17 WeakPolarHBondContact CD1-O 3.26Å; L13-W19 HydrophobicContact CB-CE3 4.44Å; L13-W19 HydrophobicContact CB-CH2 4.29Å; L13-W19 HydrophobicContact CB-CZ2 4.48Å; L13-W19 HydrophobicContact CB-CZ3 4.27Å; L13-W19 HydrophobicContact CD1-CD2 4.15Å; L13-W19 HydrophobicContact CD1-CG 4.45Å; L13-W19 HydrophobicContact CD1-CZ2 4.12Å
14C93.7Very high88Confident3 Ų367.7 Ų67.72%0.0235%0.35CS..  trans-76.6158.9166.91800000110.4Y12 C16 G17 N18 L25 C36Y12-C14 PolarHBondContact O-N 2.94Å; C14-C16 PolarHBondContact O-N 2.66Å; C14-G17 PolarHBondContact O-N 3.26Å; C14-N18 WeakPolarHBondContact CB-O 3.1Å; C14-N18 PolarHBondContact N-O 3.08Å; C14-L25 HydrophobicContact CB-CD2 4.17Å; C14-C36 HydrophobicContact CB-CB 4.31Å; C14-C36 PolarHBondContact SG-N 2.73Å; C14-C36 VanDerWaalsContact SG-SG 3.62Å
15T90.8Very high89.2Confident76 Ų7660.8 Ų60.847%0.46631%0.314SS..THydrogen-bonded Turntrans-54.6-23.7172.649.30000116.1G17 V33 L34T15-G17 PolarHBondContact O-N 3.33Å; T15-V33 HydrophobicContact CG2-CB 4.37Å; T15-V33 HydrophobicContact CG2-CG1 3.04Å; T15-V33 HydrophobicContact CG2-CG2 4.45Å; T15-L34 PolarHBondContact N-O 3.33Å
16C94.3Very high90.1Very high60 Ų6056 Ų5641%0.40530%0.295SS..THydrogen-bonded Turntrans-80.5-0.8175.562.30000113.9C14 N18 C39C14-C16 PolarHBondContact O-N 2.66Å; C16-N18 VanDerWaalsContact C-N 3.34Å; C16-N18 PolarHBondContact SG-ND2 3.19Å; C16-N18 VanDerWaalsContact SG-ND2 3.35Å; C16-C39 WeakPolarHBondContact CB-SG 3.36Å; C16-C39 PolarHBondContact SG-SG 2.77Å
17G92.8Very high90.8Very high41 Ų4151.6 Ų51.642%0.42327%0.271SS..SBendtrans87.6-4.4-17500000114.6L13 C14 T15L13-G17 VanDerWaalsContact CD1-O 3.26Å; L13-G17 WeakPolarHBondContact CD1-O 3.26Å; C14-G17 PolarHBondContact O-N 3.26Å; T15-G17 PolarHBondContact O-N 3.33Å
18N93.6Very high91.2Very high95 Ų9550 Ų5051%0.50826%0.262SS..  trans-78.9133.8177.9-68.6-28.3000111.6C14 C16 V20C14-N18 WeakPolarHBondContact CB-O 3.1Å; C14-N18 PolarHBondContact N-O 3.08Å; C16-N18 VanDerWaalsContact C-N 3.34Å; C16-N18 PolarHBondContact SG-ND2 3.19Å; C16-N18 VanDerWaalsContact SG-ND2 3.35Å; N18-V20 HydrophobicContact CB-CG2 4.24Å
19W93.7Very high91.2Very high161 Ų16151 Ų5161%0.6127%0.265SS*.EExtended strand (participates in β ladder)trans-81117170.4-70.396.5000110.4K11 Y12 L13K11-W19 HydrophobicContact CB-CB 3.87Å; K11-W19 HydrophobicContact CB-CE3 3.97Å; K11-W19 HydrophobicContact CD-CB 3.91Å; K11-W19 WeakPolarHBondContact O-CZ3 3.41Å; Y12-W19 WeakPolarHBondContact O-CA 3.41Å; L13-W19 HydrophobicContact CB-CE3 4.44Å; L13-W19 HydrophobicContact CB-CH2 4.29Å; L13-W19 HydrophobicContact CB-CZ2 4.48Å; L13-W19 HydrophobicContact CB-CZ3 4.27Å; L13-W19 HydrophobicContact CD1-CD2 4.15Å; L13-W19 HydrophobicContact CD1-CG 4.45Å; L13-W19 HydrophobicContact CD1-CZ2 4.12Å
20V93.3Very high91.6Very high23 Ų2353.9 Ų53.914%0.13927%0.265CS..EExtended strand (participates in β ladder)trans-131.9140.4-175.7-178.30000109.2Y12 N18 R24 L25 C36Y12-V20 PolarHBondContact N-O 2.78Å; Y12-V20 PolarHBondContact O-N 3.11Å; N18-V20 HydrophobicContact CB-CG2 4.24Å; V20-R24 HydrophobicContact CG1-CB 3.6Å; V20-L25 HydrophobicContact CB-CD1 4.47Å; V20-L25 HydrophobicContact CB-CD2 3.86Å; V20-L25 HydrophobicContact CB-CG 4.06Å; V20-L25 HydrophobicContact CG1-CD2 4.08Å; V20-L25 HydrophobicContact CG1-CG 4.09Å; V20-L25 HydrophobicContact CG2-CD2 4.48Å; V20-C36 HydrophobicContact CG1-CB 4.47Å; V20-C36 HydrophobicContact CG2-CB 3.93Å
21P92.3Very high91.9Very high3 Ų354.5 Ų54.52%0.01927%0.27CS..EExtended strand (participates in β ladder)trans-56.9146.8173.5-26.334.8000112.9V7 E8 C23 R24V7-P21 HydrophobicContact CG1-CB 3.63Å; V7-P21 HydrophobicContact CG1-CG 4.42Å; V7-P21 WeakPolarHBondContact O-CB 3.25Å; V7-P21 WeakPolarHBondContact O-CG 3.31Å; E8-P21 WeakPolarHBondContact OE2-CG 3.46Å; P21-C23 PolarHBondContact O-N 3.04Å; P21-C23 VanDerWaalsContact O-N 3.11Å; P21-R24 PolarHBondContact O-N 3.39Å
22L90.1Very high91.8Very high7 Ų753.2 Ų53.24%0.03727%0.267CS..G310 helixtrans-57.1-33.8-176-16663.5000112.8Y12 R24 L25 A180 M181 V184 E186Y12-L22 HydrophobicContact CD1-CD1 3.98Å; Y12-L22 HydrophobicContact CD2-CB 3.8Å; Y12-L22 HydrophobicContact CD2-CD1 3.91Å; Y12-L22 HydrophobicContact CD2-CG 4.36Å; Y12-L22 HydrophobicContact CE1-CD1 3.98Å; Y12-L22 HydrophobicContact CE2-CB 3.69Å; Y12-L22 HydrophobicContact CE2-CD1 3.98Å; Y12-L22 HydrophobicContact CE2-CD2 4.11Å; Y12-L22 HydrophobicContact CE2-CG 4.14Å; Y12-L22 HydrophobicContact CG-CD1 3.93Å; L22-R24 PolarHBondContact O-N 3.2Å; L22-L25 PolarHBondContact O-N 2.65Å; L22-A180 HydrophobicContact CD1-CB 3.61Å; L22-A180 HydrophobicContact CG-CB 4.19Å; L22-M181 HydrophobicContact CB-CG 4.04Å; L22-M181 HydrophobicContact CD2-CG 4.12Å; L22-M181 HydrophobicContact CG-CG 3.81Å; L22-V184 HydrophobicContact CD1-CB 4.12Å; L22-V184 HydrophobicContact CD1-CG1 3.99Å; L22-E186 HydrophobicContact CD2-CB 3.85Å; L22-E186 HydrophobicContact CD2-CG 4.07Å
23C90.9Very high91.7Very high32 Ų3254.2 Ų54.222%0.21628%0.275CS..G310 helixtrans-64.4-17.8177.971.50000115V7 P21 M181V7-C23 HydrophobicContact CG1-CB 4.33Å; V7-C23 WeakPolarHBondContact CG1-SG 3.28Å; P21-C23 PolarHBondContact O-N 3.04Å; P21-C23 VanDerWaalsContact O-N 3.11Å; C23-M181 WeakPolarHBondContact CA-SD 3.22Å; C23-M181 HydrophobicContact CB-CE 3.5Å; C23-M181 VanDerWaalsContact CB-CE 3.5Å; C23-M181 HydrophobicContact CB-CG 4.09Å; C23-M181 HydrophobicContact CB-SD 3.21Å; C23-M181 WeakPolarHBondContact CB-SD 3.47Å
24R92.8Very high91.8Very high142 Ų14250.8 Ų50.854%0.53626%0.257SS..G310 helixtrans-109.58.3-179.3-68.4178.5-176.6156.47.4112.6E8 V20 P21 L22E8-R24 IonicContact OE1-CZ 3.7Å; E8-R24 IonicContact OE1-NH1 2.76Å; E8-R24 PolarHBondContact OE1-NH1 3.45Å; E8-R24 IonicContact OE1-NH2 3.32Å; E8-R24 PolarHBondContact OE1-NH2 2.8Å; V20-R24 HydrophobicContact CG1-CB 3.6Å; P21-R24 PolarHBondContact O-N 3.39Å; L22-R24 PolarHBondContact O-N 3.2Å
25L93.8Very high91.8Very high0 Ų051.9 Ų51.90%026%0.26CS..EExtended strand (participates in β ladder)trans-105.4150176.5-70.4174.1000111.5Y12 C14 V20 L22 L34 C36 A180Y12-L25 VanDerWaalsContact CB-CD1 3.49Å; Y12-L25 HydrophobicContact CG-CD1 4.45Å; C14-L25 HydrophobicContact CB-CD2 4.17Å; V20-L25 HydrophobicContact CB-CD1 4.47Å; V20-L25 HydrophobicContact CB-CD2 3.86Å; V20-L25 HydrophobicContact CB-CG 4.06Å; V20-L25 HydrophobicContact CG1-CD2 4.08Å; V20-L25 HydrophobicContact CG1-CG 4.09Å; V20-L25 HydrophobicContact CG2-CD2 4.48Å; L22-L25 PolarHBondContact O-N 2.65Å; L25-L34 HydrophobicContact CB-CD2 4.3Å; L25-L34 HydrophobicContact CD1-CD1 4.42Å; L25-L34 HydrophobicContact CD1-CD2 4.48Å; L25-C36 HydrophobicContact CD2-CB 3.86Å; L25-A180 HydrophobicContact CB-CB 3.7Å; L25-A180 VanDerWaalsContact O-CB 3.28Å; L25-A180 WeakPolarHBondContact O-CB 3.38Å; L25-A180 PolarHBondContact O-N 2.78Å
26Y94.4Very high92Very high50 Ų5048.7 Ų48.720%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-110.5144.9171.3-52.5-65.9000109.1L34 R35 A37 A40 V153 V162 I163Y26-L34 WeakPolarHBondContact O-CA 3.44Å; Y26-R35 PolarHBondContact N-O 3.31Å; Y26-R35 PolarHBondContact O-N 2.9Å; Y26-A37 HydrophobicContact CE2-CB 4.32Å; Y26-A40 HydrophobicContact CD2-CB 3.98Å; Y26-A40 HydrophobicContact CE2-CB 4.34Å; Y26-V153 HydrophobicContact CD2-CG1 3.99Å; Y26-V153 HydrophobicContact CE2-CG1 3.85Å; Y26-V153 HydrophobicContact CG-CG1 4.43Å; Y26-V162 HydrophobicContact CD1-CG2 4.43Å; Y26-V162 HydrophobicContact CG-CG2 4.12Å; Y26-I163 HydrophobicContact CD1-CD1 4.13Å; Y26-I163 HydrophobicContact CD1-CG1 3.59Å; Y26-I163 HydrophobicContact CE1-CD1 4.25Å; Y26-I163 HydrophobicContact CE1-CG1 3.55Å
27F91.7Very high92Very high4 Ų448.7 Ų48.72%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-110.7122.2175.3-179.6-96.6000109.3K29 L32 L34 F178 L183 V184 D214 C218F27-K29 HydrophobicContact CE1-CB 4.43Å; F27-L32 HydrophobicContact CE1-CD2 4.27Å; F27-L32 HydrophobicContact CZ-CD2 3.93Å; F27-L34 HydrophobicContact CB-CD2 4.31Å; F27-L34 HydrophobicContact CD2-CD2 4.11Å; F27-L34 HydrophobicContact CD2-CG 4.49Å; F27-F178 PolarHBondContact N-O 2.86Å; F27-F178 WeakPolarHBondContact O-CB 3.47Å; F27-L183 HydrophobicContact CB-CD1 3.88Å; F27-L183 HydrophobicContact CD1-CB 4.36Å; F27-L183 HydrophobicContact CD1-CD1 3.66Å; F27-L183 HydrophobicContact CG-CD1 4.13Å; F27-V184 HydrophobicContact CB-CG2 4.34Å; F27-V184 HydrophobicContact CD2-CG2 3.71Å; F27-V184 HydrophobicContact CE2-CG2 4.23Å; F27-V184 HydrophobicContact CG-CG2 4.16Å; F27-D214 HydrophobicContact CZ-CB 4.39Å; F27-C218 WeakPolarHBondContact CE2-SG 3.31Å
28C91.6Very high92.2Very high2 Ų250.1 Ų50.11%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-89.3111.6173.7-175.10000109.8Y30 C31 L32 V33 C155 V162C28-Y30 PolarHBondContact O-N 2.79Å; C28-Y30 VanDerWaalsContact O-N 3.17Å; C28-C31 VanDerWaalsContact CB-SG 3.54Å; C28-L32 VanDerWaalsContact O-CA 3.26Å; C28-L32 WeakPolarHBondContact O-CA 3.37Å; C28-L32 PolarHBondContact O-N 3.46Å; C28-V33 PolarHBondContact N-O 2.9Å; C28-C155 HydrophobicContact CB-CB 4.04Å; C28-C155 VanDerWaalsContact SG-CB 3.6Å; C28-V162 HydrophobicContact CB-CG1 4.3Å
29K87.2Confident92.3Very high94 Ų9446.3 Ų46.341%0.40923%0.234SC..THydrogen-bonded Turntrans-64.5-16.4175.969.3166.7-175.9171.10114.8F27 L32 F178F27-K29 HydrophobicContact CE1-CB 4.43Å; K29-L32 WeakPolarHBondContact O-CD2 3.22Å; K29-F178 HydrophobicContact CD-CE1 4.04Å; K29-F178 HydrophobicContact CD-CE2 3.84Å; K29-F178 HydrophobicContact CD-CZ 3.5Å; K29-F178 HydrophobicContact CG-CD2 4.43Å; K29-F178 HydrophobicContact CG-CE2 4.04Å; K29-F178 HydrophobicContact CG-CZ 4.15Å
30Y89.6Confident92.4Very high116 Ų11638.9 Ų38.946%0.45521%0.207SC..THydrogen-bonded Turntrans-87.9-35.7-176.1-60.1-84.9000112.8C28 H160C28-Y30 PolarHBondContact O-N 2.79Å; C28-Y30 VanDerWaalsContact O-N 3.17Å; Y30-H160 AromaticContact CD1-CD2 3.99Å; Y30-H160 AromaticContact CD1-NE2 3.91Å; Y30-H160 HydrophobicContact CD2-CB 3.43Å; Y30-H160 VanDerWaalsContact CD2-CB 3.43Å; Y30-H160 AromaticContact CD2-CD2 3.84Å; Y30-H160 AromaticContact CD2-CG 3.48Å; Y30-H160 VanDerWaalsContact CD2-CG 3.48Å; Y30-H160 AromaticContact CE1-CD2 3.55Å; Y30-H160 AromaticContact CE1-NE2 3.62Å; Y30-H160 HydrophobicContact CE2-CB 3.36Å; Y30-H160 AromaticContact CE2-CD2 3.38Å; Y30-H160 WeakPolarHBondContact CE2-CD2 3.42Å; Y30-H160 AromaticContact CE2-CG 3.42Å; Y30-H160 VanDerWaalsContact CE2-CG 3.42Å; Y30-H160 HydrophobicContact CG-CB 4.28Å; Y30-H160 AromaticContact CG-CG 3.88Å; Y30-H160 AromaticContact CG-ND1 3.98Å; Y30-H160 AromaticContact CZ-CD2 3.19Å; Y30-H160 AromaticContact CZ-CG 3.75Å; Y30-H160 AromaticContact CZ-NE2 3.79Å
31C90.5Very high92.5Very high43 Ų4340.3 Ų40.329%0.29122%0.216SC..THydrogen-bonded Turntrans-111.70.7175.659.80000113.9C28 V33 C158C28-C31 VanDerWaalsContact CB-SG 3.54Å; C31-V33 WeakPolarHBondContact O-CG2 3.48Å; C31-V33 PolarHBondContact O-N 2.87Å; C31-C158 WeakPolarHBondContact CB-SG 3.38Å; C31-C158 PolarHBondContact SG-SG 3.04Å
32L88.2Confident92.7Very high60 Ų6043.4 Ų43.431%0.31424%0.237SC..THydrogen-bonded Turntrans5455.6177.3-53.9178.1000111.4F27 C28 K29 D214 C218F27-L32 HydrophobicContact CE1-CD2 4.27Å; F27-L32 HydrophobicContact CZ-CD2 3.93Å; C28-L32 VanDerWaalsContact O-CA 3.26Å; C28-L32 WeakPolarHBondContact O-CA 3.37Å; C28-L32 PolarHBondContact O-N 3.46Å; K29-L32 WeakPolarHBondContact O-CD2 3.22Å; L32-D214 HydrophobicContact CD2-CB 3.91Å; L32-C218 PolarHBondContact O-SG 2.88Å
33V89.6Confident92.9Very high36 Ų3646.6 Ų46.622%0.21825%0.252CS..EExtended strand (participates in β ladder)trans-142.1137.9-170.8160.20000111.2T15 C28 C31 R35T15-V33 HydrophobicContact CG2-CB 4.37Å; T15-V33 HydrophobicContact CG2-CG1 3.04Å; T15-V33 HydrophobicContact CG2-CG2 4.45Å; C28-V33 PolarHBondContact N-O 2.9Å; C31-V33 WeakPolarHBondContact O-CG2 3.48Å; C31-V33 PolarHBondContact O-N 2.87Å; V33-R35 HydrophobicContact CG1-CG 4.03Å
34L92.1Very high93Very high19 Ų1949.9 Ų49.910%0.09927%0.271CS..EExtended strand (participates in β ladder)trans-83.6131.4173.4-74.1173000112.3Y12 T15 L25 Y26 F27 A180 V184Y12-L34 HydrophobicContact CD1-CD1 4.37Å; T15-L34 PolarHBondContact N-O 3.33Å; L25-L34 HydrophobicContact CB-CD2 4.3Å; L25-L34 HydrophobicContact CD1-CD1 4.42Å; L25-L34 HydrophobicContact CD1-CD2 4.48Å; Y26-L34 WeakPolarHBondContact O-CA 3.44Å; F27-L34 HydrophobicContact CB-CD2 4.31Å; F27-L34 HydrophobicContact CD2-CD2 4.11Å; F27-L34 HydrophobicContact CD2-CG 4.49Å; L34-A180 HydrophobicContact CD2-CB 3.59Å; L34-V184 HydrophobicContact CD2-CG2 4.1Å
35R94.6Very high93Very high25 Ų2545 Ų459%0.09426%0.255CS..EExtended strand (participates in β ladder)trans-134.3133.4-179.8-62-175.2-175.7-90.8-4.6111.7Y26 V33 C39 C155 S157Y26-R35 PolarHBondContact N-O 3.31Å; Y26-R35 PolarHBondContact O-N 2.9Å; V33-R35 HydrophobicContact CG1-CG 4.03Å; R35-C39 HydrophobicContact CB-CB 3.97Å; R35-C39 HydrophobicContact CG-CB 4.27Å; R35-C155 PolarHBondContact NE-SG 3.01Å; R35-S157 PolarHBondContact NH2-OG 3.29Å
36C95.6Very high92.9Very high9 Ų945.3 Ų45.36%0.06126%0.258CS..EExtended strand (participates in β ladder)trans-77.6171.3168.171.40000110.9C14 V20 L25 A38 C39 A40C14-C36 HydrophobicContact CB-CB 4.31Å; C14-C36 PolarHBondContact SG-N 2.73Å; C14-C36 VanDerWaalsContact SG-SG 3.62Å; V20-C36 HydrophobicContact CG1-CB 4.47Å; V20-C36 HydrophobicContact CG2-CB 3.93Å; L25-C36 HydrophobicContact CD2-CB 3.86Å; C36-A38 PolarHBondContact O-N 3.48Å; C36-A38 VanDerWaalsContact O-N 3.12Å; C36-C39 PolarHBondContact O-N 2.78Å; C36-A40 PolarHBondContact O-N 3.34Å
37A94.8Very high92.8Very high60 Ų6043.8 Ų43.850%0.49625%0.254SS..THydrogen-bonded Turntrans-56.1-27.6177.500000114.3Y26Y26-A37 HydrophobicContact CE2-CB 4.32Å
38A95.4Very high92.7Very high71 Ų7144.9 Ų44.959%0.58726%0.259SS*.THydrogen-bonded Turntrans-78.8-28.6176.400000113.5C36 R156C36-A38 PolarHBondContact O-N 3.48Å; C36-A38 VanDerWaalsContact O-N 3.12Å; A38-R156 PolarHBondContact O-NH2 3.34Å
39C96.1Very high92.5Very high15 Ų1544.8 Ų44.810%0.10126%0.258CS..THydrogen-bonded Turntrans-89.2-10.6177.1-68.50000113.6C16 R35 C36 R156C16-C39 WeakPolarHBondContact CB-SG 3.36Å; C16-C39 PolarHBondContact SG-SG 2.77Å; R35-C39 HydrophobicContact CB-CB 3.97Å; R35-C39 HydrophobicContact CG-CB 4.27Å; C36-C39 PolarHBondContact O-N 2.78Å; C39-R156 WeakPolarHBondContact O-CB 3.23Å
40A95.7Very high92.5Very high5 Ų542.6 Ų42.64%0.04125%0.253CS..EExtended strand (participates in β ladder)trans-95.6162.5170.100000110.3Y26 C36 V153 R154Y26-A40 HydrophobicContact CD2-CB 3.98Å; Y26-A40 HydrophobicContact CE2-CB 4.34Å; C36-A40 PolarHBondContact O-N 3.34Å; A40-V153 HydrophobicContact CB-CG1 3.46Å; A40-V153 VanDerWaalsContact CB-CG1 3.46Å; A40-R154 WeakPolarHBondContact CA-O 3.28Å; A40-R154 WeakPolarHBondContact CB-O 3.43Å
41T96.3Very high92.2Very high53 Ų5339.3 Ų39.333%0.32525%0.247SC..EExtended strand (participates in β ladder)trans-104.5129.3175.3-57.60000108.5V153 R154T41-V153 CarbonylContact O-C 3.48Å; T41-V153 WeakPolarHBondContact O-CA 3.5Å; T41-R154 PolarHBondContact N-O 2.89Å; T41-R154 PolarHBondContact O-N 3.09Å
42S95.3Very high91.7Very high68 Ų6839.3 Ų39.348%0.47625%0.247SC..EExtended strand (participates in β ladder)trans-98.9133.8175.7-620000110.3S152S42-S152 WeakPolarHBondContact CA-O 3.36Å
43E94.2Very high91.7Very high74 Ų7440.1 Ų40.135%0.34625%0.251SS..EExtended strand (participates in β ladder)trans-122.8154.6177.1-71.3175.4-170.900110.7K151 S152 R154E43-K151 CarbonylContact O-C 3.54Å; E43-K151 WeakPolarHBondContact O-CA 3.48Å; E43-K151 WeakPolarHBondContact O-CB 3.27Å; E43-S152 WeakPolarHBondContact CB-OG 3.46Å; E43-S152 PolarHBondContact N-O 2.78Å; E43-S152 PolarHBondContact O-N 3.29Å; E43-R154 WeakPolarHBondContact OE1-CD 3.25Å; E43-R154 IonicContact OE1-CZ 2.68Å; E43-R154 IonicContact OE1-NE 3.29Å; E43-R154 PolarHBondContact OE1-NE 3.32Å; E43-R154 IonicContact OE2-CZ 3.36Å; E43-R154 IonicContact OE2-NE 3.63Å; E43-R154 PolarHBondContact OE2-NE 3.29Å; E43-R154 IonicContact OE2-NH2 3.58Å; E43-R154 PolarHBondContact OE2-NH2 2.94Å
44V93.7Very high91.5Very high101 Ų10143.8 Ų43.861%0.61227%0.266SS*.EExtended strand (participates in β ladder)trans-81.7114.8174.3177.50000108.4V47 V149V44-V47 HydrophobicContact CG1-CG2 4.15Å; V44-V149 HydrophobicContact CB-CG1 4.25Å; V44-V149 HydrophobicContact CG1-CG1 3.86Å; V44-V149 HydrophobicContact CG2-CG1 3.99Å
45D92.1Very high91.3Very high39 Ų3944.2 Ų44.221%0.20927%0.268CS..EExtended strand (participates in β ladder)trans-94.4-45178.2-165.835.6000110.5R150 R164D45-R150 PolarHBondContact N-O 3.36Å; D45-R164 IonicContact OD1-CZ 2.74Å; D45-R164 IonicContact OD1-NE 3.48Å; D45-R164 PolarHBondContact OD1-NE 2.73Å; D45-R164 IonicContact OD1-NH2 3.3Å; D45-R164 PolarHBondContact OD1-NH2 2.91Å; D45-R164 IonicContact OD2-NE 3.83Å
46S92.2Very high90.9Very high8 Ų843.9 Ų43.96%0.05627%0.268CS..EExtended strand (participates in β ladder)trans-151.6163.3174.271.10000112.6R150S46-R150 PolarHBondContact N-O 2.91Å; S46-R150 PolarHBondContact O-N 2.88Å; S46-R150 WeakPolarHBondContact OG-CB 3.14Å
47V92.2Very high90.6Very high17 Ų1746.9 Ų46.910%0.10329%0.286CS..EExtended strand (participates in β ladder)trans-123.8132.7176.7-175.80000107.4V44 M56 A61 L147 V148 V149V44-V47 HydrophobicContact CG1-CG2 4.15Å; V47-M56 PolarHBondContact O-N 3.31Å; V47-A61 HydrophobicContact CG1-CB 4.33Å; V47-L147 HydrophobicContact CG1-CB 3.44Å; V47-L147 VanDerWaalsContact CG1-CB 3.44Å; V47-L147 HydrophobicContact CG1-CD1 3.51Å; V47-L147 HydrophobicContact CG1-CD2 4.45Å; V47-L147 HydrophobicContact CG1-CG 3.98Å; V47-V148 WeakPolarHBondContact CA-O 3.21Å; V47-V149 HydrophobicContact CG2-CG2 4.38Å
48F90.5Very high90.3Very high28 Ų2848.1 Ų48.112%0.12329%0.292CS..EExtended strand (participates in β ladder)trans-146.7160.7-175.968-86.6000112.3L53 E54 V148 R150 P169F48-L53 HydrophobicContact CE2-CD2 4.42Å; F48-E54 CarbonylContact C-O 3.55Å; F48-E54 WeakPolarHBondContact CA-O 3.49Å; F48-E54 VanDerWaalsContact CB-O 3.29Å; F48-E54 WeakPolarHBondContact CB-O 3.18Å; F48-V148 HydrophobicContact CE1-CB 4.25Å; F48-V148 HydrophobicContact CE1-CG1 4.02Å; F48-V148 HydrophobicContact CE2-CB 4.27Å; F48-V148 HydrophobicContact CE2-CG1 4.48Å; F48-V148 HydrophobicContact CZ-CB 4.01Å; F48-V148 HydrophobicContact CZ-CG1 3.78Å; F48-V148 PolarHBondContact N-O 3.26Å; F48-V148 PolarHBondContact O-N 2.75Å; F48-R150 HydrophobicContact CD1-CB 4.44Å; F48-R150 HydrophobicContact CE1-CB 4.1Å; F48-P169 HydrophobicContact CB-CB 4.07Å; F48-P169 HydrophobicContact CB-CG 3.66Å; F48-P169 HydrophobicContact CD1-CB 4.32Å; F48-P169 HydrophobicContact CD1-CG 4.45Å; F48-P169 HydrophobicContact CD2-CB 3.62Å; F48-P169 HydrophobicContact CD2-CG 4.19Å; F48-P169 HydrophobicContact CE2-CB 4.08Å; F48-P169 HydrophobicContact CG-CB 3.75Å; F48-P169 HydrophobicContact CG-CG 3.87Å
49C86.7Confident89.9Confident0 Ų046.6 Ų46.60%028%0.282CS..  trans-84.1125.4175.4178.70000110.6S51 C52 L53 E54 Y68 L147C49-S51 PolarHBondContact O-N 2.9Å; C49-S51 PolarHBondContact SG-N 2.89Å; C49-C52 WeakPolarHBondContact CB-SG 3.31Å; C49-L53 VanDerWaalsContact O-CA 3.24Å; C49-L53 WeakPolarHBondContact O-CA 3.4Å; C49-L53 PolarHBondContact O-N 2.79Å; C49-E54 PolarHBondContact N-O 2.81Å; C49-Y68 HydrophobicContact CB-CD1 4.03Å; C49-Y68 HydrophobicContact CB-CD2 4.09Å; C49-Y68 HydrophobicContact CB-CG 3.8Å; C49-Y68 VanDerWaalsContact SG-CD1 3.55Å; C49-L147 HydrophobicContact CB-CD2 4.2Å
50P87.1Confident89.4Confident48 Ų4850.3 Ų50.331%0.31230%0.298SS..THydrogen-bonded Turntrans-71.4-10.2179.430.3-37.6000114K145 V148P50-K145 HydrophobicContact CG-CD 3.96Å; P50-K145 HydrophobicContact CG-CG 4.42Å; P50-V148 HydrophobicContact CB-CG2 3.84Å; P50-V148 HydrophobicContact CG-CG2 3.81Å
51S82.8Confident88.9Confident46 Ų4650.2 Ų50.232%0.32230%0.297SS..THydrogen-bonded Turntrans-92.8-51.3177.6-59.50000112.7C49 K145C49-S51 PolarHBondContact O-N 2.9Å; C49-S51 PolarHBondContact SG-N 2.89Å; S51-K145 WeakPolarHBondContact OG-CD 3.31Å; S51-K145 PolarHBondContact OG-NZ 2.82Å
52C81.7Confident88.5Confident43 Ų4357.3 Ų57.329%0.29132%0.318SS..THydrogen-bonded Turntrans-95-8.4-178.260.10000113.8C49 E54 Y68 F70C49-C52 WeakPolarHBondContact CB-SG 3.31Å; C52-E54 PolarHBondContact O-N 2.9Å; C52-Y68 VanDerWaalsContact SG-CE1 3.56Å; C52-F70 HydrophobicContact CB-CD2 3.97Å; C52-F70 HydrophobicContact CB-CE2 3.97Å
53L87.1Confident87.8Confident78 Ų7859.5 Ų59.541%0.40833%0.329SS..  trans5924.9-177.5-55.7178.8000113.9F48 C49 P169F48-L53 HydrophobicContact CE2-CD2 4.42Å; C49-L53 VanDerWaalsContact O-CA 3.24Å; C49-L53 WeakPolarHBondContact O-CA 3.4Å; C49-L53 PolarHBondContact O-N 2.79Å; L53-P169 HydrophobicContact CB-CB 4.24Å; L53-P169 HydrophobicContact CD2-CB 4.48Å; L53-P169 VanDerWaalsContact O-CG 3.25Å; L53-P169 WeakPolarHBondContact O-CG 3.1Å
54E85.4Confident87Confident113 Ų11359.8 Ų59.853%0.52833%0.33SS..  trans-87.3135.3175.8-166.357.3-141.700110.6F48 C49 C52F48-E54 CarbonylContact C-O 3.55Å; F48-E54 WeakPolarHBondContact CA-O 3.49Å; F48-E54 VanDerWaalsContact CB-O 3.29Å; F48-E54 WeakPolarHBondContact CB-O 3.18Å; C49-E54 PolarHBondContact N-O 2.81Å; C52-E54 PolarHBondContact O-N 2.9Å
55N87.6Confident86.4Confident27 Ų2762 Ų6214%0.14433%0.331CS..EExtended strand (participates in β ladder)trans-75.7148173.2-81.1-47.4000110.6Y167 P169N55-Y167 HydrophobicContact CB-CE1 4.1Å; N55-Y167 WeakPolarHBondContact ND2-CD1 3.17Å; N55-Y167 WeakPolarHBondContact ND2-CE1 3.17Å; N55-Y167 PolarHBondContact ND2-O 2.82Å; N55-P169 WeakPolarHBondContact ND2-CD 3.4Å; N55-P169 VanDerWaalsContact OD1-CG 3.23Å; N55-P169 WeakPolarHBondContact OD1-CG 3.29Å
56M87.6Confident86Confident18 Ų1864.3 Ų64.39%0.08934%0.344CS..EExtended strand (participates in β ladder)trans-120.9139.7170.8-67-119.5-69.100109.3V47 H64 Y68 L147V47-M56 PolarHBondContact O-N 3.31Å; M56-H64 HydrophobicContact CE-CB 4.36Å; M56-Y68 HydrophobicContact CE-CD2 4.26Å; M56-Y68 HydrophobicContact CG-CD2 4.26Å; M56-Y68 HydrophobicContact SD-CD2 3.71Å; M56-Y68 HydrophobicContact SD-CE2 4.05Å; M56-L147 HydrophobicContact CE-CD1 3.29Å; M56-L147 HydrophobicContact CE-CD2 3.99Å; M56-L147 HydrophobicContact CE-CG 4.16Å; M56-L147 HydrophobicContact CG-CD1 4.48Å; M56-L147 HydrophobicContact CG-CD2 4.13Å
57T89.2Confident85.5Confident72 Ų7267.5 Ų67.544%0.44236%0.355SS..  trans-67.1156.1170.665.30000110.2G59 E60 A61T57-G59 PolarHBondContact O-N 3.18Å; T57-E60 WeakPolarHBondContact CB-OE2 3.36Å; T57-E60 WeakPolarHBondContact CG2-OE2 3.24Å; T57-E60 PolarHBondContact N-OE2 3.37Å; T57-E60 PolarHBondContact O-N 3.35Å; T57-E60 WeakPolarHBondContact OG1-CB 3.35Å; T57-E60 WeakPolarHBondContact OG1-CG 3.5Å; T57-E60 PolarHBondContact OG1-N 3.14Å; T57-E60 PolarHBondContact OG1-OE2 2.81Å; T57-A61 WeakPolarHBondContact O-CB 3.38Å; T57-A61 PolarHBondContact O-N 2.84Å
58S87.3Confident84.4Confident87 Ų8769.6 Ų69.661%0.60836%0.361SS*.Hα-helixtrans-62-30.8177.354.10000112.7R62S58-R62 VanDerWaalsContact O-CG 3.26Å; S58-R62 WeakPolarHBondContact O-CG 3.2Å; S58-R62 PolarHBondContact O-N 2.82Å; S58-R62 VanDerWaalsContact O-N 3.15Å
59G87.8Confident83.2Confident38 Ų3869.9 Ų69.939%0.39236%0.363SS..Hα-helixtrans-65.6-53.2173.900000112.2T57 A61 R62 T63T57-G59 PolarHBondContact O-N 3.18Å; G59-A61 VanDerWaalsContact C-N 3.34Å; G59-A61 PolarHBondContact O-N 2.65Å; G59-R62 PolarHBondContact O-N 3.23Å; G59-T63 PolarHBondContact O-N 2.76Å; G59-T63 PolarHBondContact O-OG1 2.9Å
60E85.5Confident81.8Confident94 Ų9473.6 Ų73.644%0.43938%0.38SS..Hα-helixtrans-60.6-43.2177.4-69.6162.8146.400111.8T57 R62 T63 H64T57-E60 WeakPolarHBondContact CB-OE2 3.36Å; T57-E60 WeakPolarHBondContact CG2-OE2 3.24Å; T57-E60 PolarHBondContact N-OE2 3.37Å; T57-E60 PolarHBondContact O-N 3.35Å; T57-E60 WeakPolarHBondContact OG1-CB 3.35Å; T57-E60 WeakPolarHBondContact OG1-CG 3.5Å; T57-E60 PolarHBondContact OG1-N 3.14Å; T57-E60 PolarHBondContact OG1-OE2 2.81Å; E60-R62 VanDerWaalsContact C-N 3.3Å; E60-R62 PolarHBondContact O-N 3.06Å; E60-T63 PolarHBondContact O-N 2.97Å; E60-H64 WeakPolarHBondContact O-CB 3.44Å; E60-H64 PolarHBondContact O-CD2 2.79Å; E60-H64 PolarHBondContact O-N 3.25Å
61A85.8Confident80.4Confident2 Ų273.9 Ų73.92%0.01738%0.379CS..Hα-helixtrans-59-41.4177.700000111.6V47 T57 G59 H64 K65 N66 L147V47-A61 HydrophobicContact CG1-CB 4.33Å; T57-A61 WeakPolarHBondContact O-CB 3.38Å; T57-A61 PolarHBondContact O-N 2.84Å; G59-A61 VanDerWaalsContact C-N 3.34Å; G59-A61 PolarHBondContact O-N 2.65Å; A61-H64 CarbonylContact O-C 3.52Å; A61-H64 PolarHBondContact O-N 3.42Å; A61-K65 PolarHBondContact O-N 3.2Å; A61-K65 VanDerWaalsContact O-N 3.15Å; A61-N66 WeakPolarHBondContact O-CA 3.45Å; A61-N66 PolarHBondContact O-N 3.46Å; A61-N66 PolarHBondContact O-OD1 2.94Å; A61-L147 HydrophobicContact CB-CD1 3.95Å
62R86.3Confident79.1Confident202 Ų20275.4 Ų75.476%0.76238%0.382SS*.Hα-helixtrans-63.9-48.1175.2-74.5171.8-175.2-173.52.1111.9S58 G59 E60 H64 K65S58-R62 VanDerWaalsContact O-CG 3.26Å; S58-R62 WeakPolarHBondContact O-CG 3.2Å; S58-R62 PolarHBondContact O-N 2.82Å; S58-R62 VanDerWaalsContact O-N 3.15Å; G59-R62 PolarHBondContact O-N 3.23Å; E60-R62 VanDerWaalsContact C-N 3.3Å; E60-R62 PolarHBondContact O-N 3.06Å; R62-H64 VanDerWaalsContact C-N 3.26Å; R62-H64 PolarHBondContact O-N 2.81Å; R62-K65 PolarHBondContact O-N 2.87Å; R62-K65 VanDerWaalsContact O-N 3.09Å
63T82.1Confident78Confident114 Ų11475.2 Ų75.270%0.69938%0.38SS*.Hα-helixtrans-59.3-38.8178.6-54.80000111.7G59 E60 K65G59-T63 PolarHBondContact O-N 2.76Å; G59-T63 PolarHBondContact O-OG1 2.9Å; E60-T63 PolarHBondContact O-N 2.97Å; T63-K65 VanDerWaalsContact C-N 3.33Å; T63-K65 PolarHBondContact O-N 3.18Å
64H75.6Confident76.7Confident81 Ų8175.5 Ų75.538%0.37538%0.38SS..THydrogen-bonded Turntrans-9117.7178.5-62.2-61.2000114.2M56 E60 A61 R62 N66 R67M56-H64 HydrophobicContact CE-CB 4.36Å; E60-H64 WeakPolarHBondContact O-CB 3.44Å; E60-H64 PolarHBondContact O-CD2 2.79Å; E60-H64 PolarHBondContact O-N 3.25Å; A61-H64 CarbonylContact O-C 3.52Å; A61-H64 PolarHBondContact O-N 3.42Å; R62-H64 VanDerWaalsContact C-N 3.26Å; R62-H64 PolarHBondContact O-N 2.81Å; H64-N66 PolarHBondContact O-N 2.84Å; H64-N66 VanDerWaalsContact O-N 3.15Å; H64-R67 PolarHBondContact O-N 2.74Å
65K82.2Confident75.4Confident146 Ų14675.3 Ų75.364%0.63539%0.388SS*.THydrogen-bonded Turntrans51.537.6178.4-59.2179.5179.7174.80113.8A61 R62 T63 R67A61-K65 PolarHBondContact O-N 3.2Å; A61-K65 VanDerWaalsContact O-N 3.15Å; R62-K65 PolarHBondContact O-N 2.87Å; R62-K65 VanDerWaalsContact O-N 3.09Å; T63-K65 VanDerWaalsContact C-N 3.33Å; T63-K65 PolarHBondContact O-N 3.18Å; K65-R67 VanDerWaalsContact C-N 3.27Å; K65-R67 PolarHBondContact O-N 3.2Å
66N84Confident74Confident89 Ų8975.6 Ų75.648%0.47639%0.392SS..THydrogen-bonded Turntrans57.133.1-176.6-60.1-46.3000114.5A61 H64 L147A61-N66 WeakPolarHBondContact O-CA 3.45Å; A61-N66 PolarHBondContact O-N 3.46Å; A61-N66 PolarHBondContact O-OD1 2.94Å; H64-N66 PolarHBondContact O-N 2.84Å; H64-N66 VanDerWaalsContact O-N 3.15Å; N66-L147 HydrophobicContact CB-CD1 4.47Å; N66-L147 WeakPolarHBondContact O-CB 3.4Å; N66-L147 WeakPolarHBondContact O-CG 3.47Å; N66-L147 PolarHBondContact O-N 2.76Å
67R80.2Confident72.7Confident75 Ų7577.7 Ų77.728%0.28342%0.418SS..EExtended strand (participates in β ladder)trans-126.3149.1178.5-59.2-179.7-177.6-168.50.2111.4H64 K65 R144 K145H64-R67 PolarHBondContact O-N 2.74Å; K65-R67 VanDerWaalsContact C-N 3.27Å; K65-R67 PolarHBondContact O-N 3.2Å; R67-R144 HydrophobicContact CB-CB 3.53Å; R67-R144 HydrophobicContact CG-CB 4.45Å; R67-K145 CarbonylContact C-O 3.55Å; R67-K145 VanDerWaalsContact CA-O 3.31Å; R67-K145 WeakPolarHBondContact CA-O 3.44Å
68Y70.6Confident71.4Confident61 Ų6183.3 Ų83.324%0.23944%0.439CS..EExtended strand (participates in β ladder)trans-118.5135.9177.8-164.5-88000110.6C49 C52 M56 F70 R144 K145 L147C49-Y68 HydrophobicContact CB-CD1 4.03Å; C49-Y68 HydrophobicContact CB-CD2 4.09Å; C49-Y68 HydrophobicContact CB-CG 3.8Å; C49-Y68 VanDerWaalsContact SG-CD1 3.55Å; C52-Y68 VanDerWaalsContact SG-CE1 3.56Å; M56-Y68 HydrophobicContact CE-CD2 4.26Å; M56-Y68 HydrophobicContact CG-CD2 4.26Å; M56-Y68 HydrophobicContact SD-CD2 3.71Å; M56-Y68 HydrophobicContact SD-CE2 4.05Å; Y68-F70 HydrophobicContact CD1-CB 3.71Å; Y68-F70 HydrophobicContact CE1-CB 3.94Å; Y68-F70 HydrophobicContact CE1-CD2 4.34Å; Y68-F70 PolarHBondContact O-N 3.13Å; Y68-R144 CarbonylContact O-C 3.45Å; Y68-R144 WeakPolarHBondContact O-CA 3.27Å; Y68-K145 PolarHBondContact N-O 2.85Å; Y68-K145 PolarHBondContact O-N 2.93Å; Y68-L147 HydrophobicContact CD2-CD2 4.36Å; Y68-L147 HydrophobicContact CG-CD2 4.45Å
69L64.3Low70.5Confident33 Ų3387.5 Ų87.517%0.17345%0.447CS..  trans-83.390.7173.5-175.366.2000108.7L71 W107 R144L69-L71 HydrophobicContact CD1-CD1 4.22Å; L69-W107 HydrophobicContact CD1-CB 4.37Å; L69-W107 HydrophobicContact CD2-CB 4.31Å; L69-R144 HydrophobicContact CB-CG 4.14Å; L69-R144 HydrophobicContact CD1-CG 3.98Å
70F58.4Low69.9Low79 Ų7988.5 Ų88.535%0.34644%0.443SS..  trans-129.797.4166.6-167.1-89.5000108C52 Y68 L72C52-F70 HydrophobicContact CB-CD2 3.97Å; C52-F70 HydrophobicContact CB-CE2 3.97Å; Y68-F70 HydrophobicContact CD1-CB 3.71Å; Y68-F70 HydrophobicContact CE1-CB 3.94Å; Y68-F70 HydrophobicContact CE1-CD2 4.34Å; Y68-F70 PolarHBondContact O-N 3.13Å; F70-L72 HydrophobicContact CE1-CD2 4.21Å
71L56.3Low69.3Low54 Ų5487.6 Ų87.628%0.28344%0.436SS..  trans-118.1139.2167.5-68.3161.8000106.2L69 T73 L83 P142L69-L71 HydrophobicContact CD1-CD1 4.22Å; L71-T73 PolarHBondContact O-N 3.33Å; L71-L83 HydrophobicContact CB-CB 4.31Å; L71-L83 HydrophobicContact CB-CD1 4.4Å; L71-L83 HydrophobicContact CB-CD2 3.31Å; L71-L83 HydrophobicContact CB-CG 4.15Å; L71-L83 HydrophobicContact CD1-CB 4.45Å; L71-L83 HydrophobicContact CD1-CD1 3.38Å; L71-L83 HydrophobicContact CD1-CD2 3.91Å; L71-L83 HydrophobicContact CD1-CG 4.05Å; L71-L83 HydrophobicContact CG-CD1 4.48Å; L71-L83 HydrophobicContact CG-CD2 4.25Å; L71-P142 HydrophobicContact CD1-CB 3.43Å; L71-P142 VanDerWaalsContact CD1-CB 3.43Å; L71-P142 HydrophobicContact CD1-CG 4.22Å; L71-P142 HydrophobicContact CD2-CB 4.42Å
72L56.4Low68.9Low77 Ų7790.3 Ų90.340%0.40345%0.445SS..PPolyproline II helixtrans-59.8124.6174-66.1172.9000106.8F70 L83 Y84 Q86F70-L72 HydrophobicContact CE1-CD2 4.21Å; L72-L83 WeakPolarHBondContact O-CA 3.21Å; L72-Y84 PolarHBondContact O-N 2.96Å; L72-Q86 HydrophobicContact CD1-CG 4.06Å
73T58Low68.4Low40 Ų4080.7 Ų80.725%0.24541%0.409CS..EExtended strand (participates in β ladder)trans-100.7120.9173.7480000107.8L71 Y81 R82 L83 A103L71-T73 PolarHBondContact O-N 3.33Å; T73-Y81 HydrophobicContact CG2-CD1 4.37Å; T73-Y81 HydrophobicContact CG2-CG 4.44Å; T73-R82 CarbonylContact C-O 3.55Å; T73-R82 VanDerWaalsContact CA-O 3.28Å; T73-R82 WeakPolarHBondContact CA-O 3.29Å; T73-L83 HydrophobicContact CG2-CD2 3.91Å; T73-A103 HydrophobicContact CG2-CB 4.33Å; T73-A103 WeakPolarHBondContact CG2-O 3.38Å
74E59.6Low68Low84 Ų8478.2 Ų78.239%0.39339%0.388SS..EExtended strand (participates in β ladder)trans-91.5133.3169.3-67.6-171.916200108.4S76 Y81 R82 Y84E74-S76 PolarHBondContact O-N 3.03Å; E74-Y81 WeakPolarHBondContact O-CA 3.49Å; E74-R82 PolarHBondContact N-O 3.27Å; E74-R82 PolarHBondContact O-N 3.48Å; E74-R82 VanDerWaalsContact O-N 3.08Å; E74-Y84 HydrophobicContact CG-CD1 4.45Å; E74-Y84 WeakPolarHBondContact OE1-CD1 3.23Å; E74-Y84 WeakPolarHBondContact OE1-CE1 3.21Å
75P59.2Low67.9Low109 Ų10976.2 Ų76.271%0.70838%0.382SS*.EExtended strand (participates in β ladder)trans-66.5121.2172.626.5-30.9000109.3L80P75-L80 CarbonylContact C-O 3.57Å; P75-L80 WeakPolarHBondContact CA-O 3.45Å
76S58.6Low67.5Low33 Ų3375.6 Ų75.623%0.23138%0.382CS..  trans-11384.4178.263.70000110.4E74 L80 D99E74-S76 PolarHBondContact O-N 3.03Å; S76-L80 PolarHBondContact N-O 3.04Å; S76-L80 WeakPolarHBondContact O-CB 3.27Å; S76-L80 WeakPolarHBondContact OG-CB 3.31Å; S76-L80 PolarHBondContact OG-O 3.37Å; S76-D99 PolarHBondContact OG-OD2 3.2Å
77G60.5Low67.1Low61 Ų6182.1 Ų82.163%0.62940%0.401SS*.SBendtrans64-176-173.800000112.5K79 L80G77-K79 PolarHBondContact O-N 3.22Å; G77-L80 PolarHBondContact O-N 3Å
78E61.7Low66.8Low190 Ų19082.7 Ų82.789%0.88842%0.416SS*.THydrogen-bonded Turntrans-45.497-168.1-68.9-175.2155.900114.2L80E78-L80 PolarHBondContact O-N 3.12Å; E78-L80 VanDerWaalsContact O-N 3.14Å
79K67.3Low67Low176 Ų17683.4 Ų83.477%0.76543%0.429SS*.THydrogen-bonded Turntrans56.626.6172.1-55.7178.7-178.7174.20115.6G77 T101G77-K79 PolarHBondContact O-N 3.22Å; K79-T101 WeakPolarHBondContact O-CA 3.47Å
80L75.4Confident67.4Low59 Ų5984 Ų8431%0.30943%0.429SS..  trans-101.1146.6170.7-63.1173.1000110.5P75 S76 G77 E78 D99 Q100 T101P75-L80 CarbonylContact C-O 3.57Å; P75-L80 WeakPolarHBondContact CA-O 3.45Å; S76-L80 PolarHBondContact N-O 3.04Å; S76-L80 WeakPolarHBondContact O-CB 3.27Å; S76-L80 WeakPolarHBondContact OG-CB 3.31Å; S76-L80 PolarHBondContact OG-O 3.37Å; G77-L80 PolarHBondContact O-N 3Å; E78-L80 PolarHBondContact O-N 3.12Å; E78-L80 VanDerWaalsContact O-N 3.14Å; L80-D99 HydrophobicContact CB-CB 4.02Å; L80-D99 HydrophobicContact CD1-CB 4.44Å; L80-Q100 CarbonylContact C-O 3.51Å; L80-Q100 WeakPolarHBondContact CA-O 3.16Å; L80-T101 HydrophobicContact CD2-CG2 3.85Å
81Y73.1Confident68.2Low74 Ų7481.1 Ų81.129%0.2942%0.418SS..EExtended strand (participates in β ladder)trans-123.3131.1-175.8-68.1-76.8000109.5T73 E74 D99 Q100 S102 A103 W107T73-Y81 HydrophobicContact CG2-CD1 4.37Å; T73-Y81 HydrophobicContact CG2-CG 4.44Å; E74-Y81 WeakPolarHBondContact O-CA 3.49Å; Y81-D99 WeakPolarHBondContact O-CA 3.38Å; Y81-Q100 WeakPolarHBondContact CB-O 3.29Å; Y81-Q100 WeakPolarHBondContact CD2-O 3.43Å; Y81-Q100 PolarHBondContact N-O 3.5Å; Y81-Q100 PolarHBondContact O-N 3.11Å; Y81-S102 VanDerWaalsContact CD2-C 3.43Å; Y81-A103 HydrophobicContact CD1-CB 3.84Å; Y81-A103 HydrophobicContact CD2-CB 4.09Å; Y81-A103 HydrophobicContact CE1-CB 3.7Å; Y81-A103 HydrophobicContact CE2-CB 3.97Å; Y81-A103 HydrophobicContact CG-CB 4Å; Y81-W107 VanDerWaalsContact O-CH2 3.24Å; Y81-W107 WeakPolarHBondContact O-CH2 3.42Å; Y81-W107 WeakPolarHBondContact O-CZ2 3.47Å
82R76.3Confident69.3Low59 Ų5978.6 Ų78.622%0.22341%0.405CS..EExtended strand (participates in β ladder)trans-118.7146.8173.6-172178.1-68.7155.47.9111T73 E74 S92 D99T73-R82 CarbonylContact C-O 3.55Å; T73-R82 VanDerWaalsContact CA-O 3.28Å; T73-R82 WeakPolarHBondContact CA-O 3.29Å; E74-R82 PolarHBondContact N-O 3.27Å; E74-R82 PolarHBondContact O-N 3.48Å; E74-R82 VanDerWaalsContact O-N 3.08Å; R82-S92 WeakPolarHBondContact CG-OG 3.47Å; R82-D99 WeakPolarHBondContact CB-OD1 3.42Å; R82-D99 IonicContact CZ-OD1 2.94Å; R82-D99 IonicContact CZ-OD2 3.47Å; R82-D99 IonicContact NE-OD1 2.67Å; R82-D99 PolarHBondContact NE-OD1 3.07Å; R82-D99 IonicContact NE-OD2 2.78Å; R82-D99 IonicContact NH2-OD1 2.73Å; R82-D99 PolarHBondContact NH2-OD1 2.98Å; R82-D99 IonicContact NH2-OD2 3.28Å; R82-D99 PolarHBondContact NH2-OD2 3.03Å
83L76.6Confident70.3Confident1 Ų181.5 Ų81.51%0.00541%0.414CS..EExtended strand (participates in β ladder)trans-83.6132.5173.3-48.4168.8000110.2L71 L72 T73 S91 S92 W107 P142L71-L83 HydrophobicContact CB-CB 4.31Å; L71-L83 HydrophobicContact CB-CD1 4.4Å; L71-L83 HydrophobicContact CB-CD2 3.31Å; L71-L83 HydrophobicContact CB-CG 4.15Å; L71-L83 HydrophobicContact CD1-CB 4.45Å; L71-L83 HydrophobicContact CD1-CD1 3.38Å; L71-L83 HydrophobicContact CD1-CD2 3.91Å; L71-L83 HydrophobicContact CD1-CG 4.05Å; L71-L83 HydrophobicContact CG-CD1 4.48Å; L71-L83 HydrophobicContact CG-CD2 4.25Å; L72-L83 WeakPolarHBondContact O-CA 3.21Å; T73-L83 HydrophobicContact CG2-CD2 3.91Å; L83-S91 CarbonylContact O-C 3.58Å; L83-S91 VanDerWaalsContact O-CA 3.29Å; L83-S91 WeakPolarHBondContact O-CA 3.15Å; L83-S92 PolarHBondContact N-OG 2.74Å; L83-S92 PolarHBondContact O-N 3.46Å; L83-W107 HydrophobicContact CD1-CD2 3.59Å; L83-W107 HydrophobicContact CD1-CE3 3.61Å; L83-W107 HydrophobicContact CD1-CG 4.15Å; L83-W107 HydrophobicContact CD1-CH2 4.23Å; L83-W107 HydrophobicContact CD1-CZ2 4.2Å; L83-W107 HydrophobicContact CD1-CZ3 3.94Å; L83-W107 HydrophobicContact CD2-CD2 4.01Å; L83-W107 HydrophobicContact CD2-CG 4.46Å; L83-W107 HydrophobicContact CD2-CH2 4.3Å; L83-W107 HydrophobicContact CD2-CZ2 3.57Å; L83-W107 HydrophobicContact CG-CD2 3.88Å; L83-W107 HydrophobicContact CG-CE3 4.05Å; L83-W107 HydrophobicContact CG-CH2 3.76Å; L83-W107 HydrophobicContact CG-CZ2 3.55Å; L83-W107 HydrophobicContact CG-CZ3 3.99Å; L83-P142 HydrophobicContact CD1-CB 3.85Å; L83-P142 HydrophobicContact CD1-CG 3.33Å
84Y74Confident71Confident62 Ų6284.3 Ų84.324%0.24343%0.425CS..BIsolated β-bridgetrans-138.6141.7-178.3175.7-104.7000112.1L72 E74 Q86 C89L72-Y84 PolarHBondContact O-N 2.96Å; E74-Y84 HydrophobicContact CG-CD1 4.45Å; E74-Y84 WeakPolarHBondContact OE1-CD1 3.23Å; E74-Y84 WeakPolarHBondContact OE1-CE1 3.21Å; Y84-Q86 HydrophobicContact CD1-CG 4.1Å; Y84-Q86 HydrophobicContact CE1-CB 4.37Å; Y84-Q86 HydrophobicContact CE1-CG 3.89Å; Y84-C89 HydrophobicContact CE2-CB 4.14Å; Y84-C89 WeakPolarHBondContact CE2-O 3.36Å; Y84-C89 PolarHBondContact OH-SG 3.23Å
85C73.5Confident71.7Confident39 Ų3980.9 Ų80.926%0.26441%0.411SS..  trans-103.4115.3173.8-177.60000110.9Y87 C88 C89 W90C85-Y87 PolarHBondContact O-N 3.14Å; C85-C88 PolarHBondContact SG-SG 3.27Å; C85-C89 WeakPolarHBondContact O-CA 3.42Å; C85-C89 PolarHBondContact O-N 3.12Å; C85-W90 HydrophobicContact CB-CB 4.35Å; C85-W90 PolarHBondContact N-O 2.89Å
86Q73.3Confident72.4Confident133 Ų13378.9 Ų78.962%0.62141%0.41SS*.THydrogen-bonded Turntrans-67.5-16.5179.1-67.7-179.3-17.100114.7L72 Y84L72-Q86 HydrophobicContact CD1-CG 4.06Å; Y84-Q86 HydrophobicContact CD1-CG 4.1Å; Y84-Q86 HydrophobicContact CE1-CB 4.37Å; Y84-Q86 HydrophobicContact CE1-CG 3.89Å
87Y75.3Confident73.3Confident225 Ų22578.5 Ų78.588%0.88241%0.405SS*.THydrogen-bonded Turntrans-91.2-39.5-176.9-66.9-79.3000113.7C85C85-Y87 PolarHBondContact O-N 3.14Å
88C74.9Confident74.2Confident88 Ų8879.5 Ų79.560%0.59540%0.4SS*.THydrogen-bonded Turntrans-119.15.2-176.171.40000113.4C85 W90C85-C88 PolarHBondContact SG-SG 3.27Å; C88-W90 PolarHBondContact O-N 2.66Å; C88-W90 VanDerWaalsContact SG-CB 3.6Å
89C73.8Confident75.1Confident75 Ų7572.6 Ų72.651%0.50737%0.37SS..  trans59.411-179.8-53.50000115.9Y84 C85Y84-C89 HydrophobicContact CE2-CB 4.14Å; Y84-C89 WeakPolarHBondContact CE2-O 3.36Å; Y84-C89 PolarHBondContact OH-SG 3.23Å; C85-C89 WeakPolarHBondContact O-CA 3.42Å; C85-C89 PolarHBondContact O-N 3.12Å
90W73.6Confident75.5Confident47 Ų4765.9 Ų65.918%0.17834%0.341CS..  trans-64.3137.2176.4178.386.6000110.6C85 C88 A95 P142C85-W90 HydrophobicContact CB-CB 4.35Å; C85-W90 PolarHBondContact N-O 2.89Å; C88-W90 PolarHBondContact O-N 2.66Å; C88-W90 VanDerWaalsContact SG-CB 3.6Å; W90-A95 HydrophobicContact CZ2-CB 3.86Å; W90-P142 HydrophobicContact CH2-CB 4.05Å; W90-P142 HydrophobicContact CH2-CG 3.71Å; W90-P142 HydrophobicContact CZ3-CB 4.21Å; W90-P142 HydrophobicContact CZ3-CG 4.22Å
91S75.5Confident75.6Confident18 Ų1868.3 Ų68.313%0.12636%0.359CS..BIsolated β-bridgetrans-124152.717671.20000112.7L83 K93 E94L83-S91 CarbonylContact O-C 3.58Å; L83-S91 VanDerWaalsContact O-CA 3.29Å; L83-S91 WeakPolarHBondContact O-CA 3.15Å; S91-K93 PolarHBondContact O-N 2.74Å; S91-E94 PolarHBondContact N-OE1 2.83Å; S91-E94 WeakPolarHBondContact O-CB 3.13Å; S91-E94 PolarHBondContact O-N 2.85Å; S91-E94 PolarHBondContact OG-OE1 3.32Å
92S79.3Confident75.6Confident0 Ų066.9 Ų66.90%036%0.36CS..G310 helixtrans-60.3-18.1176.358.60000113.6R82 L83 E94 A95 G96 L97R82-S92 WeakPolarHBondContact CG-OG 3.47Å; L83-S92 PolarHBondContact N-OG 2.74Å; L83-S92 PolarHBondContact O-N 3.46Å; S92-E94 VanDerWaalsContact C-N 3.32Å; S92-E94 PolarHBondContact O-N 3.29Å; S92-A95 PolarHBondContact O-N 2.65Å; S92-G96 PolarHBondContact O-N 3.26Å; S92-L97 WeakPolarHBondContact O-CB 3.35Å; S92-L97 PolarHBondContact O-N 3.09Å
93K77.3Confident75.2Confident138 Ų13865.4 Ų65.460%0.636%0.36SS*.G310 helixtrans-62.6-35.9172.2-172.4-180178.4-177.90112.5S91 A95 G96S91-K93 PolarHBondContact O-N 2.74Å; K93-A95 PolarHBondContact O-N 3.34Å; K93-G96 PolarHBondContact O-N 2.81Å
94E73.2Confident74.6Confident99 Ų9969.6 Ų69.646%0.46339%0.385SS..G310 helixtrans-67.5-24.1178.1-70.2160.5-126.600112.6S91 S92S91-E94 PolarHBondContact N-OE1 2.83Å; S91-E94 WeakPolarHBondContact O-CB 3.13Å; S91-E94 PolarHBondContact O-N 2.85Å; S91-E94 PolarHBondContact OG-OE1 3.32Å; S92-E94 VanDerWaalsContact C-N 3.32Å; S92-E94 PolarHBondContact O-N 3.29Å
95A72.6Confident73.9Confident13 Ų1377.5 Ų77.511%0.10742%0.415CS..G310 helixtrans-92.57.3172.800000113.3W90 S92 K93 L97 L140 L141W90-A95 HydrophobicContact CZ2-CB 3.86Å; S92-A95 PolarHBondContact O-N 2.65Å; K93-A95 PolarHBondContact O-N 3.34Å; A95-L97 HydrophobicContact CB-CG 4.47Å; A95-L97 PolarHBondContact O-N 3.24Å; A95-L140 WeakPolarHBondContact CB-O 3.41Å; A95-L141 HydrophobicContact CB-CD2 4.49Å
96G74.9Confident73.4Confident66 Ų6677.7 Ų77.768%0.6842%0.419SS*.THydrogen-bonded Turntrans6917.9-17900000114.6S92 K93S92-G96 PolarHBondContact O-N 3.26Å; K93-G96 PolarHBondContact O-N 2.81Å
97L77.3Confident73Confident25 Ų2572.2 Ų72.213%0.13139%0.393CS..PPolyproline II helixtrans-79.7130.1177.3-70.1171.8000110.8S92 A95 W107 P108 L141 P142S92-L97 WeakPolarHBondContact O-CB 3.35Å; S92-L97 PolarHBondContact O-N 3.09Å; A95-L97 HydrophobicContact CB-CG 4.47Å; A95-L97 PolarHBondContact O-N 3.24Å; L97-W107 HydrophobicContact CB-CZ3 4.35Å; L97-P108 HydrophobicContact CD2-CG 4.16Å; L97-L141 HydrophobicContact CD1-CD2 3.79Å; L97-L141 HydrophobicContact CD2-CD2 3.77Å; L97-L141 HydrophobicContact CG-CD2 3.86Å; L97-P142 VanDerWaalsContact CD1-CD 3.41Å; L97-P142 HydrophobicContact CD1-CG 3.7Å
98P78.7Confident72.5Confident82 Ų8265.3 Ų65.353%0.53238%0.375SS..PPolyproline II helixtrans-69.2143.8178.628.4-33.6000111.1Q100 W107P98-Q100 PolarHBondContact O-NE2 3.32Å; P98-W107 WeakPolarHBondContact O-CZ3 3.47Å
99D81.3Confident71.7Confident45 Ų4566.7 Ų66.724%0.24137%0.373CS..PPolyproline II helixtrans-61.5140.2172.8-60.1-25.9000109.4S76 L80 Y81 R82S76-D99 PolarHBondContact OG-OD2 3.2Å; L80-D99 HydrophobicContact CB-CB 4.02Å; L80-D99 HydrophobicContact CD1-CB 4.44Å; Y81-D99 WeakPolarHBondContact O-CA 3.38Å; R82-D99 WeakPolarHBondContact CB-OD1 3.42Å; R82-D99 IonicContact CZ-OD1 2.94Å; R82-D99 IonicContact CZ-OD2 3.47Å; R82-D99 IonicContact NE-OD1 2.67Å; R82-D99 PolarHBondContact NE-OD1 3.07Å; R82-D99 IonicContact NE-OD2 2.78Å; R82-D99 IonicContact NH2-OD1 2.73Å; R82-D99 PolarHBondContact NH2-OD1 2.98Å; R82-D99 IonicContact NH2-OD2 3.28Å; R82-D99 PolarHBondContact NH2-OD2 3.03Å
100Q76.9Confident70.8Confident35 Ų3566.2 Ų66.216%0.16437%0.369CS..BIsolated β-bridgetrans-104.9147-171.9-66-62.5-3600111.4L80 Y81 P98 S102 W107L80-Q100 CarbonylContact C-O 3.51Å; L80-Q100 WeakPolarHBondContact CA-O 3.16Å; Y81-Q100 WeakPolarHBondContact CB-O 3.29Å; Y81-Q100 WeakPolarHBondContact CD2-O 3.43Å; Y81-Q100 PolarHBondContact N-O 3.5Å; Y81-Q100 PolarHBondContact O-N 3.11Å; P98-Q100 PolarHBondContact O-NE2 3.32Å; Q100-S102 PolarHBondContact O-N 2.83Å; Q100-W107 HydrophobicContact CB-CH2 4.23Å; Q100-W107 HydrophobicContact CB-CZ2 3.93Å; Q100-W107 HydrophobicContact CG-CD2 3.77Å; Q100-W107 HydrophobicContact CG-CE3 3.77Å; Q100-W107 HydrophobicContact CG-CH2 3.7Å; Q100-W107 HydrophobicContact CG-CZ2 3.71Å; Q100-W107 HydrophobicContact CG-CZ3 3.73Å
101T76.3Confident69.6Low111 Ų11168.2 Ų68.268%0.68140%0.396SS*.SBendtrans-75.9-11.3173.852.70000113.3K79 L80K79-T101 WeakPolarHBondContact O-CA 3.47Å; L80-T101 HydrophobicContact CD2-CG2 3.85Å
102S73.8Confident68.4Low44 Ų4471.1 Ų71.131%0.30841%0.413SS..  trans-119.6133.1177.1-177.90000111.7Y81 Q100 T104Y81-S102 VanDerWaalsContact CD2-C 3.43Å; Q100-S102 PolarHBondContact O-N 2.83Å; S102-T104 PolarHBondContact O-N 3.26Å; S102-T104 PolarHBondContact OG-N 3.23Å; S102-T104 PolarHBondContact OG-O 3.44Å
103A67.2Low66.9Low27 Ų2778.4 Ų78.422%0.22345%0.451CS..SBendtrans-66-28175.300000112.8T73 Y81T73-A103 HydrophobicContact CG2-CB 4.33Å; T73-A103 WeakPolarHBondContact CG2-O 3.38Å; Y81-A103 HydrophobicContact CD1-CB 3.84Å; Y81-A103 HydrophobicContact CD2-CB 4.09Å; Y81-A103 HydrophobicContact CE1-CB 3.7Å; Y81-A103 HydrophobicContact CE2-CB 3.97Å; Y81-A103 HydrophobicContact CG-CB 4Å
104T64.6Low65.3Low89 Ų8978.1 Ų78.155%0.54646%0.457SS..SBendtrans-132.2139.1-172.4440000111.1S102 A106S102-T104 PolarHBondContact O-N 3.26Å; S102-T104 PolarHBondContact OG-N 3.23Å; S102-T104 PolarHBondContact OG-O 3.44Å; T104-A106 PolarHBondContact O-N 3.25Å
105R59.3Low63.7Low229 Ų22976.9 Ų76.986%0.86446%0.463SS*.SBendtrans74.3-12.2174-58.2-178.6-179.3-173.7-0.8119.9
106A62.3Low62.4Low43 Ų4384.1 Ų84.136%0.35549%0.492SS..  trans-88.9-2-17800000115.6T104T104-A106 PolarHBondContact O-N 3.25Å
107W66.2Low60.8Low17 Ų1784.9 Ų84.96%0.06449%0.487CS..SBendtrans-75.3123.4-177.1-66.296.5000111.2L69 Y81 L83 L97 P98 Q100L69-W107 HydrophobicContact CD1-CB 4.37Å; L69-W107 HydrophobicContact CD2-CB 4.31Å; Y81-W107 VanDerWaalsContact O-CH2 3.24Å; Y81-W107 WeakPolarHBondContact O-CH2 3.42Å; Y81-W107 WeakPolarHBondContact O-CZ2 3.47Å; L83-W107 HydrophobicContact CD1-CD2 3.59Å; L83-W107 HydrophobicContact CD1-CE3 3.61Å; L83-W107 HydrophobicContact CD1-CG 4.15Å; L83-W107 HydrophobicContact CD1-CH2 4.23Å; L83-W107 HydrophobicContact CD1-CZ2 4.2Å; L83-W107 HydrophobicContact CD1-CZ3 3.94Å; L83-W107 HydrophobicContact CD2-CD2 4.01Å; L83-W107 HydrophobicContact CD2-CG 4.46Å; L83-W107 HydrophobicContact CD2-CH2 4.3Å; L83-W107 HydrophobicContact CD2-CZ2 3.57Å; L83-W107 HydrophobicContact CG-CD2 3.88Å; L83-W107 HydrophobicContact CG-CE3 4.05Å; L83-W107 HydrophobicContact CG-CH2 3.76Å; L83-W107 HydrophobicContact CG-CZ2 3.55Å; L83-W107 HydrophobicContact CG-CZ3 3.99Å; L97-W107 HydrophobicContact CB-CZ3 4.35Å; P98-W107 WeakPolarHBondContact O-CZ3 3.47Å; Q100-W107 HydrophobicContact CB-CH2 4.23Å; Q100-W107 HydrophobicContact CB-CZ2 3.93Å; Q100-W107 HydrophobicContact CG-CD2 3.77Å; Q100-W107 HydrophobicContact CG-CE3 3.77Å; Q100-W107 HydrophobicContact CG-CH2 3.7Å; Q100-W107 HydrophobicContact CG-CZ2 3.71Å; Q100-W107 HydrophobicContact CG-CZ3 3.73Å
108P63.3Low58.9Low80 Ų8088.9 Ų88.952%0.51951%0.512SS..PPolyproline II helixtrans-62.4139.5-175.623.4-32000111.5L97L97-P108 HydrophobicContact CD2-CG 4.16Å
109E58.4Low57.4Low117 Ų11793.6 Ų93.655%0.54752%0.521SS..PPolyproline II helixtrans-77.7144.5164.2-71-174.3-159.300109.1A111 R144E109-A111 PolarHBondContact O-N 3.17Å; E109-R144 IonicContact OE1-CZ 2.98Å; E109-R144 IonicContact OE1-NH1 3.33Å; E109-R144 PolarHBondContact OE1-NH1 3.3Å; E109-R144 IonicContact OE1-NH2 3.87Å; E109-R144 PolarHBondContact OE1-NH2 2.68Å
110P54.8Low55.9Low65 Ų6597 Ų9742%0.42255%0.548SS..PPolyproline II helixtrans-59.7129.6-179.1-14.323.8000111.5L141P110-L141 HydrophobicContact CB-CD1 3.56Å; P110-L141 HydrophobicContact CG-CB 4.39Å; P110-L141 HydrophobicContact CG-CD1 3.57Å
111A48.7Very low55Low89 Ų8997.8 Ų97.874%0.73655%0.551SS**PPolyproline II helixtrans-72.7137.5155.100000108.3E109 D113E109-A111 PolarHBondContact O-N 3.17Å; A111-D113 PolarHBondContact O-N 2.6Å
112V49.5Very low54.4Low80 Ų8096.6 Ų96.649%0.48555%0.545SS..  trans-83.4104.9-178.4-179.20000108.5N114 T132V112-N114 WeakPolarHBondContact CG1-OD1 3.34Å; V112-T132 HydrophobicContact CG1-CG2 4.35Å; V112-T132 HydrophobicContact CG2-CG2 4.46Å
113D49.5Very low54.4Low152 Ų152101 Ų10181%0.81356%0.559SS**  trans-112109.8167.3-93.1-24.1000109.9A111 A115A111-D113 PolarHBondContact O-N 2.6Å; D113-A115 PolarHBondContact O-N 2.81Å; D113-A115 VanDerWaalsContact O-N 3.16Å
114N42.9Very low54.9Low133 Ų133105.6 Ų105.671%0.71158%0.58SS**  trans-86.174.4-177-69.1-24.9000110.9V112V112-N114 WeakPolarHBondContact CG1-OD1 3.34Å
115A40.2Very low55.3Low72 Ų72105 Ų10560%0.59557%0.571SS**  trans-161.1108.1169.200000112.7D113D113-A115 PolarHBondContact O-N 2.81Å; D113-A115 VanDerWaalsContact O-N 3.16Å
116K44.6Very low56Low166 Ų16696.9 Ų96.972%0.72254%0.54SS*.  trans158.1162.6134.1-82.2158.7-171.3-179.70113Y136K116-Y136 HydrophobicContact CB-CE2 4.28Å
117S41.2Very low56.9Low82 Ų8298.6 Ų98.657%0.57354%0.543SS*.  trans-119.9125.7-149.657.40000116Y136S117-Y136 PolarHBondContact O-OH 3.03Å
118V38.2Very low57.4Low109 Ų109104.1 Ų104.166%0.66157%0.568SS**  trans65.993.3148.5-166.90000118.3
119Y45.9Very low58Low180 Ų180100.9 Ų100.971%0.70655%0.546SS*.  trans-145.3148.5136-72.2-80.3000109.1F121 Y136Y119-F121 PolarHBondContact O-N 3.15Å; Y119-Y136 HydrophobicContact CD2-CD1 4.13Å; Y119-Y136 AromaticContact CD2-CE1 3.54Å; Y119-Y136 HydrophobicContact CD2-CE1 3.54Å; Y119-Y136 HydrophobicContact CE2-CE1 4.13Å
120S49.4Very low58.9Low117 Ų11798.9 Ų98.982%0.81854%0.543SS*.  trans-93.599.5-163.456.10000114.5
121F59Low59.8Low51 Ų51100.7 Ų100.722%0.22455%0.546CS..  trans-70.7154.3159.1-109.2-94000111.7Y119 F123 Q125 R126 V137 L140Y119-F121 PolarHBondContact O-N 3.15Å; F121-F123 PolarHBondContact O-N 2.87Å; F121-F123 VanDerWaalsContact O-N 3.12Å; F121-Q125 HydrophobicContact CD1-CB 4.32Å; F121-Q125 HydrophobicContact CD1-CG 4.24Å; F121-Q125 VanDerWaalsContact CD1-OE1 3.29Å; F121-Q125 VanDerWaalsContact CE1-OE1 3.27Å; F121-R126 HydrophobicContact CB-CG 3.97Å; F121-V137 HydrophobicContact CE2-CB 4.11Å; F121-V137 HydrophobicContact CE2-CG2 3.43Å; F121-V137 VanDerWaalsContact CE2-CG2 3.43Å; F121-V137 HydrophobicContact CZ-CB 4.3Å; F121-V137 HydrophobicContact CZ-CG1 4.48Å; F121-V137 HydrophobicContact CZ-CG2 3.68Å; F121-L140 HydrophobicContact CD1-CD1 4.18Å; F121-L140 HydrophobicContact CE1-CD1 3.53Å; F121-L140 HydrophobicContact CE2-CD1 3.94Å; F121-L140 HydrophobicContact CZ-CD1 3.38Å
122P64.4Low60.9Low86 Ų8699 Ų9956%0.55853%0.526SS*.  trans-52.4124.4170.4-24.433.3000109.8N124 Q125P122-N124 PolarHBondContact O-N 3.07Å; P122-Q125 WeakPolarHBondContact O-CB 3.49Å; P122-Q125 PolarHBondContact O-N 2.82Å
123F73.6Confident62.2Low136 Ų13698.6 Ų98.660%0.59652%0.519SS*.Hα-helixtrans-45.9-39.3-176.6178.2-108.7000113.1F121 Q125 R126 L127F121-F123 PolarHBondContact O-N 2.87Å; F121-F123 VanDerWaalsContact O-N 3.12Å; F123-Q125 VanDerWaalsContact C-N 3.27Å; F123-Q125 PolarHBondContact O-N 2.96Å; F123-R126 PolarHBondContact O-N 3.27Å; F123-L127 HydrophobicContact CD1-CD1 3.72Å; F123-L127 HydrophobicContact CD1-CG 4.25Å; F123-L127 HydrophobicContact CD2-CG 4.45Å; F123-L127 HydrophobicContact CE1-CD1 3.21Å; F123-L127 HydrophobicContact CE1-CG 3.98Å; F123-L127 HydrophobicContact CE2-CD1 4.23Å; F123-L127 HydrophobicContact CE2-CD2 4.13Å; F123-L127 HydrophobicContact CE2-CG 4.16Å; F123-L127 HydrophobicContact CG-CD1 4.43Å; F123-L127 HydrophobicContact CG-CG 4.49Å; F123-L127 HydrophobicContact CZ-CD1 3.5Å; F123-L127 HydrophobicContact CZ-CD2 4Å; F123-L127 HydrophobicContact CZ-CG 3.92Å; F123-L127 WeakPolarHBondContact O-CG 3.41Å; F123-L127 PolarHBondContact O-N 2.97Å
124N76.9Confident63.2Low124 Ų12491.5 Ų91.566%0.66348%0.481SS*.Hα-helixtrans-59.4-29.1177.4-71.1-24.9000114.7P122 K128P122-N124 PolarHBondContact O-N 3.07Å; N124-K128 WeakPolarHBondContact O-CG 3.47Å
125Q72.5Confident64.5Low76 Ų7687.6 Ų87.636%0.35546%0.459SS..Hα-helixtrans-81.3-38.8178.5-173163.9-5.200111.4F121 P122 F123 L127 K128 L140F121-Q125 HydrophobicContact CD1-CB 4.32Å; F121-Q125 HydrophobicContact CD1-CG 4.24Å; F121-Q125 VanDerWaalsContact CD1-OE1 3.29Å; F121-Q125 VanDerWaalsContact CE1-OE1 3.27Å; P122-Q125 WeakPolarHBondContact O-CB 3.49Å; P122-Q125 PolarHBondContact O-N 2.82Å; F123-Q125 VanDerWaalsContact C-N 3.27Å; F123-Q125 PolarHBondContact O-N 2.96Å; Q125-L127 VanDerWaalsContact C-N 3.34Å; Q125-L127 PolarHBondContact O-N 3.49Å; Q125-K128 WeakPolarHBondContact O-CB 3.19Å; Q125-K128 PolarHBondContact O-N 3.16Å; Q125-L140 HydrophobicContact CG-CD2 4.17Å
126R74.6Confident65.8Low59 Ų5987.2 Ų87.222%0.22344%0.443CS..Hα-helixtrans-62-42.5175.2-61.8-179.257.6-158.8-6.9111.6F121 F123 K128 I129 P134F121-R126 HydrophobicContact CB-CG 3.97Å; F123-R126 PolarHBondContact O-N 3.27Å; R126-K128 PolarHBondContact O-N 3.05Å; R126-K128 VanDerWaalsContact O-N 3.15Å; R126-I129 CarbonylContact O-C 3.58Å; R126-I129 PolarHBondContact O-N 3.44Å; R126-I129 VanDerWaalsContact O-N 3.11Å; R126-P134 WeakPolarHBondContact CG-O 3.44Å
127L81.5Confident66.9Low79 Ų7982.7 Ų82.741%0.41443%0.428SS..THydrogen-bonded Turntrans-65.5-14.1178-71.1-172.7000114.6F123 Q125 I129F123-L127 HydrophobicContact CD1-CD1 3.72Å; F123-L127 HydrophobicContact CD1-CG 4.25Å; F123-L127 HydrophobicContact CD2-CG 4.45Å; F123-L127 HydrophobicContact CE1-CD1 3.21Å; F123-L127 HydrophobicContact CE1-CG 3.98Å; F123-L127 HydrophobicContact CE2-CD1 4.23Å; F123-L127 HydrophobicContact CE2-CD2 4.13Å; F123-L127 HydrophobicContact CE2-CG 4.16Å; F123-L127 HydrophobicContact CG-CD1 4.43Å; F123-L127 HydrophobicContact CG-CG 4.49Å; F123-L127 HydrophobicContact CZ-CD1 3.5Å; F123-L127 HydrophobicContact CZ-CD2 4Å; F123-L127 HydrophobicContact CZ-CG 3.92Å; F123-L127 WeakPolarHBondContact O-CG 3.41Å; F123-L127 PolarHBondContact O-N 2.97Å; Q125-L127 VanDerWaalsContact C-N 3.34Å; Q125-L127 PolarHBondContact O-N 3.49Å; L127-I129 VanDerWaalsContact C-N 3.26Å; L127-I129 PolarHBondContact O-N 3.49Å
128K76.9Confident68.2Low134 Ų13482.5 Ų82.558%0.58343%0.427SS*.THydrogen-bonded Turntrans-74.9-17.6174.4-69.5175-178.2179.30112.8N124 Q125 R126 P130 L143N124-K128 WeakPolarHBondContact O-CG 3.47Å; Q125-K128 WeakPolarHBondContact O-CB 3.19Å; Q125-K128 PolarHBondContact O-N 3.16Å; R126-K128 PolarHBondContact O-N 3.05Å; R126-K128 VanDerWaalsContact O-N 3.15Å; K128-P130 VanDerWaalsContact C-CD 3.48Å; K128-P130 WeakPolarHBondContact O-CD 3.26Å; K128-L143 HydrophobicContact CB-CD1 3.7Å; K128-L143 WeakPolarHBondContact O-CD1 3.28Å
129I74.8Confident69.6Low12 Ų1280.5 Ų80.56%0.06241%0.411CS..  trans-123.370.1178.2-38.1-169.7000108.2R126 L127 E131 T132 Q133 P134 L143R126-I129 CarbonylContact O-C 3.58Å; R126-I129 PolarHBondContact O-N 3.44Å; R126-I129 VanDerWaalsContact O-N 3.11Å; L127-I129 VanDerWaalsContact C-N 3.26Å; L127-I129 PolarHBondContact O-N 3.49Å; I129-E131 PolarHBondContact O-N 2.8Å; I129-E131 VanDerWaalsContact O-N 3.15Å; I129-T132 WeakPolarHBondContact CG2-OG1 3.33Å; I129-T132 PolarHBondContact O-N 2.99Å; I129-Q133 WeakPolarHBondContact O-CA 3.3Å; I129-Q133 PolarHBondContact O-N 2.86Å; I129-P134 HydrophobicContact CD1-CG 4.07Å; I129-L143 HydrophobicContact CD1-CD1 4.01Å; I129-L143 HydrophobicContact CD1-CD2 3.7Å; I129-L143 HydrophobicContact CD1-CG 3.93Å; I129-L143 HydrophobicContact CG1-CD1 3.57Å; I129-L143 HydrophobicContact CG1-CD2 3.75Å; I129-L143 HydrophobicContact CG1-CG 3.99Å; I129-L143 HydrophobicContact CG2-CD2 4.42Å
130P77.4Confident70.6Confident75 Ų7572.6 Ų72.649%0.48738%0.38SS..THydrogen-bonded Turntrans-61.4-24.8-174.526.3-35.1000112.9K128K128-P130 VanDerWaalsContact C-CD 3.48Å; K128-P130 WeakPolarHBondContact O-CD 3.26Å
131E75Confident71.5Confident103 Ų10369.4 Ų69.448%0.48135%0.354SS..THydrogen-bonded Turntrans-68.6-39.7-178.9-60.389.9167.300113.5I129I129-E131 PolarHBondContact O-N 2.8Å; I129-E131 VanDerWaalsContact O-N 3.15Å
132T71.8Confident72Confident52 Ų5268.5 Ų68.532%0.31935%0.353SS..THydrogen-bonded Turntrans-114.8-23.9-176.557.70000113.7V112 I129V112-T132 HydrophobicContact CG1-CG2 4.35Å; V112-T132 HydrophobicContact CG2-CG2 4.46Å; I129-T132 WeakPolarHBondContact CG2-OG1 3.33Å; I129-T132 PolarHBondContact O-N 2.99Å
133Q76.7Confident72.3Confident72 Ų7267.1 Ų67.134%0.33634%0.341SS..  trans39.363.7-174.5-64.9-156.8-0.200113.6I129I129-Q133 WeakPolarHBondContact O-CA 3.3Å; I129-Q133 PolarHBondContact O-N 2.86Å
134P69.6Low72.4Confident3 Ų363.1 Ų63.12%0.01932%0.322CS..  trans-56.3141.6-169.825.1-35.4000111.6R126 I129 E139 L140R126-P134 WeakPolarHBondContact CG-O 3.44Å; I129-P134 HydrophobicContact CD1-CG 4.07Å; P134-E139 WeakPolarHBondContact CA-OE2 3.42Å; P134-E139 HydrophobicContact CB-CB 3.57Å; P134-L140 HydrophobicContact CB-CD2 4.33Å; P134-L140 HydrophobicContact CG-CD2 3.64Å
135Q71Confident72.4Confident51 Ų5161.1 Ų61.124%0.23831%0.307CS..  trans-104.5-18.8-178.1-55.8-168.31100111.4E139Q135-E139 PolarHBondContact N-OE2 3.2Å
136Y67.9Low73Confident65 Ų6561.8 Ų61.826%0.25532%0.318SS..SBendtrans-120.1154.2-179.2-53.8-94.6000112.5K116 S117 Y119 S138 E139K116-Y136 HydrophobicContact CB-CE2 4.28Å; S117-Y136 PolarHBondContact O-OH 3.03Å; Y119-Y136 HydrophobicContact CD2-CD1 4.13Å; Y119-Y136 AromaticContact CD2-CE1 3.54Å; Y119-Y136 HydrophobicContact CD2-CE1 3.54Å; Y119-Y136 HydrophobicContact CE2-CE1 4.13Å; Y136-S138 PolarHBondContact O-N 2.8Å; Y136-E139 HydrophobicContact CD2-CG 4.44Å; Y136-E139 VanDerWaalsContact CD2-OE1 3.3Å; Y136-E139 WeakPolarHBondContact CD2-OE1 3.49Å; Y136-E139 PolarHBondContact N-OE2 2.95Å; Y136-E139 PolarHBondContact O-N 3.21Å; Y136-E139 VanDerWaalsContact O-N 3.11Å
137V67.2Low73.6Confident70 Ų7060 Ų6042%0.42431%0.313SS..G310 helixtrans-57.6-39.6176.5-171.80000111F121 E139 L140F121-V137 HydrophobicContact CE2-CB 4.11Å; F121-V137 HydrophobicContact CE2-CG2 3.43Å; F121-V137 VanDerWaalsContact CE2-CG2 3.43Å; F121-V137 HydrophobicContact CZ-CB 4.3Å; F121-V137 HydrophobicContact CZ-CG1 4.48Å; F121-V137 HydrophobicContact CZ-CG2 3.68Å; V137-E139 PolarHBondContact O-N 2.96Å; V137-L140 HydrophobicContact CG1-CD1 4.48Å; V137-L140 VanDerWaalsContact O-CB 3.29Å; V137-L140 WeakPolarHBondContact O-CB 3.49Å; V137-L140 PolarHBondContact O-N 2.89Å
138S68.8Low74.1Confident78 Ų7859.1 Ų59.155%0.54531%0.311SS..G310 helixtrans-64.6-19.3-178.952.40000113.5Y136Y136-S138 PolarHBondContact O-N 2.8Å
139E67.5Low74.8Confident67 Ų6755.6 Ų55.631%0.31330%0.3SS..G310 helixtrans-92.8-8.1176.7-61.2173.4169.400112.2P134 Q135 Y136 V137 L141P134-E139 WeakPolarHBondContact CA-OE2 3.42Å; P134-E139 HydrophobicContact CB-CB 3.57Å; Q135-E139 PolarHBondContact N-OE2 3.2Å; Y136-E139 HydrophobicContact CD2-CG 4.44Å; Y136-E139 VanDerWaalsContact CD2-OE1 3.3Å; Y136-E139 WeakPolarHBondContact CD2-OE1 3.49Å; Y136-E139 PolarHBondContact N-OE2 2.95Å; Y136-E139 PolarHBondContact O-N 3.21Å; Y136-E139 VanDerWaalsContact O-N 3.11Å; V137-E139 PolarHBondContact O-N 2.96Å; E139-L141 PolarHBondContact O-N 2.93Å; E139-L141 VanDerWaalsContact O-N 3.13Å
140L65.5Low75.7Confident14 Ų1456.9 Ų56.97%0.07330%0.304CS..  trans-73.9109.6177.7-70.2172.9000109.6A95 F121 Q125 P134 V137A95-L140 WeakPolarHBondContact CB-O 3.41Å; F121-L140 HydrophobicContact CD1-CD1 4.18Å; F121-L140 HydrophobicContact CE1-CD1 3.53Å; F121-L140 HydrophobicContact CE2-CD1 3.94Å; F121-L140 HydrophobicContact CZ-CD1 3.38Å; Q125-L140 HydrophobicContact CG-CD2 4.17Å; P134-L140 HydrophobicContact CB-CD2 4.33Å; P134-L140 HydrophobicContact CG-CD2 3.64Å; V137-L140 HydrophobicContact CG1-CD1 4.48Å; V137-L140 VanDerWaalsContact O-CB 3.29Å; V137-L140 WeakPolarHBondContact O-CB 3.49Å; V137-L140 PolarHBondContact O-N 2.89Å
141L68.8Low76.5Confident50 Ų5059.5 Ų59.526%0.26231%0.308SS..PPolyproline II helixtrans-97.9144.1173.3-64.8171.1000110A95 L97 P110 E139 L143A95-L141 HydrophobicContact CB-CD2 4.49Å; L97-L141 HydrophobicContact CD1-CD2 3.79Å; L97-L141 HydrophobicContact CD2-CD2 3.77Å; L97-L141 HydrophobicContact CG-CD2 3.86Å; P110-L141 HydrophobicContact CB-CD1 3.56Å; P110-L141 HydrophobicContact CG-CB 4.39Å; P110-L141 HydrophobicContact CG-CD1 3.57Å; E139-L141 PolarHBondContact O-N 2.93Å; E139-L141 VanDerWaalsContact O-N 3.13Å; L141-L143 PolarHBondContact O-N 3.48Å; L141-L143 VanDerWaalsContact O-N 3.17Å
142P69.1Low77.5Confident33 Ų3354.8 Ų54.821%0.21429%0.287CS..PPolyproline II helixtrans-59.6122.5174.68.2-7.3000109.9L71 L83 W90 L97L71-P142 HydrophobicContact CD1-CB 3.43Å; L71-P142 VanDerWaalsContact CD1-CB 3.43Å; L71-P142 HydrophobicContact CD1-CG 4.22Å; L71-P142 HydrophobicContact CD2-CB 4.42Å; L83-P142 HydrophobicContact CD1-CB 3.85Å; L83-P142 HydrophobicContact CD1-CG 3.33Å; W90-P142 HydrophobicContact CH2-CB 4.05Å; W90-P142 HydrophobicContact CH2-CG 3.71Å; W90-P142 HydrophobicContact CZ3-CB 4.21Å; W90-P142 HydrophobicContact CZ3-CG 4.22Å; L97-P142 VanDerWaalsContact CD1-CD 3.41Å; L97-P142 HydrophobicContact CD1-CG 3.7Å
143L71.9Confident78.7Confident57 Ų5752.8 Ų52.830%0.29827%0.274SS..PPolyproline II helixtrans-84.8138178.1-64.9175.3000110.9K128 I129 L141 K145K128-L143 HydrophobicContact CB-CD1 3.7Å; K128-L143 WeakPolarHBondContact O-CD1 3.28Å; I129-L143 HydrophobicContact CD1-CD1 4.01Å; I129-L143 HydrophobicContact CD1-CD2 3.7Å; I129-L143 HydrophobicContact CD1-CG 3.93Å; I129-L143 HydrophobicContact CG1-CD1 3.57Å; I129-L143 HydrophobicContact CG1-CD2 3.75Å; I129-L143 HydrophobicContact CG1-CG 3.99Å; I129-L143 HydrophobicContact CG2-CD2 4.42Å; L141-L143 PolarHBondContact O-N 3.48Å; L141-L143 VanDerWaalsContact O-N 3.17Å; L143-K145 PolarHBondContact O-N 3.47Å
144R74.3Confident79.7Confident51 Ų5152.7 Ų52.719%0.19227%0.271CS..PPolyproline II helixtrans-57.8133.8165.5-66.5-173.4179.6161.57.3109.5R67 Y68 L69 E109R67-R144 HydrophobicContact CB-CB 3.53Å; R67-R144 HydrophobicContact CG-CB 4.45Å; Y68-R144 CarbonylContact O-C 3.45Å; Y68-R144 WeakPolarHBondContact O-CA 3.27Å; L69-R144 HydrophobicContact CB-CG 4.14Å; L69-R144 HydrophobicContact CD1-CG 3.98Å; E109-R144 IonicContact OE1-CZ 2.98Å; E109-R144 IonicContact OE1-NH1 3.33Å; E109-R144 PolarHBondContact OE1-NH1 3.3Å; E109-R144 IonicContact OE1-NH2 3.87Å; E109-R144 PolarHBondContact OE1-NH2 2.68Å
145K78.3Confident80.9Confident83 Ų8352.6 Ų52.636%0.36127%0.27SS..EExtended strand (participates in β ladder)trans-67.9134.7-175.7-166.1172.6-174178.60109.5P50 S51 R67 Y68 L143 L147P50-K145 HydrophobicContact CG-CD 3.96Å; P50-K145 HydrophobicContact CG-CG 4.42Å; S51-K145 WeakPolarHBondContact OG-CD 3.31Å; S51-K145 PolarHBondContact OG-NZ 2.82Å; R67-K145 CarbonylContact C-O 3.55Å; R67-K145 VanDerWaalsContact CA-O 3.31Å; R67-K145 WeakPolarHBondContact CA-O 3.44Å; Y68-K145 PolarHBondContact N-O 2.85Å; Y68-K145 PolarHBondContact O-N 2.93Å; L143-K145 PolarHBondContact O-N 3.47Å; K145-L147 PolarHBondContact O-N 3.36Å
146P84.8Confident82Confident90 Ų9057.3 Ų57.358%0.58429%0.286SS*.EExtended strand (participates in β ladder)trans-62.5136.8175.326.2-34.1000110.1
147L86.9Confident83.3Confident21 Ų2158.2 Ų58.211%0.1130%0.301CS..PPolyproline II helixtrans-67.9152.1171.9-66.1166.5000110.4V47 C49 M56 A61 N66 Y68 K145V47-L147 HydrophobicContact CG1-CB 3.44Å; V47-L147 VanDerWaalsContact CG1-CB 3.44Å; V47-L147 HydrophobicContact CG1-CD1 3.51Å; V47-L147 HydrophobicContact CG1-CD2 4.45Å; V47-L147 HydrophobicContact CG1-CG 3.98Å; C49-L147 HydrophobicContact CB-CD2 4.2Å; M56-L147 HydrophobicContact CE-CD1 3.29Å; M56-L147 HydrophobicContact CE-CD2 3.99Å; M56-L147 HydrophobicContact CE-CG 4.16Å; M56-L147 HydrophobicContact CG-CD1 4.48Å; M56-L147 HydrophobicContact CG-CD2 4.13Å; A61-L147 HydrophobicContact CB-CD1 3.95Å; N66-L147 HydrophobicContact CB-CD1 4.47Å; N66-L147 WeakPolarHBondContact O-CB 3.4Å; N66-L147 WeakPolarHBondContact O-CG 3.47Å; N66-L147 PolarHBondContact O-N 2.76Å; Y68-L147 HydrophobicContact CD2-CD2 4.36Å; Y68-L147 HydrophobicContact CG-CD2 4.45Å; K145-L147 PolarHBondContact O-N 3.36Å
148V91.6Very high84.5Confident61 Ų6156.4 Ų56.437%0.3729%0.292SS..EExtended strand (participates in β ladder)trans-102.9142.5174.61770000109.3V47 F48 P50V47-V148 WeakPolarHBondContact CA-O 3.21Å; F48-V148 HydrophobicContact CE1-CB 4.25Å; F48-V148 HydrophobicContact CE1-CG1 4.02Å; F48-V148 HydrophobicContact CE2-CB 4.27Å; F48-V148 HydrophobicContact CE2-CG1 4.48Å; F48-V148 HydrophobicContact CZ-CB 4.01Å; F48-V148 HydrophobicContact CZ-CG1 3.78Å; F48-V148 PolarHBondContact N-O 3.26Å; F48-V148 PolarHBondContact O-N 2.75Å; P50-V148 HydrophobicContact CB-CG2 3.84Å; P50-V148 HydrophobicContact CG-CG2 3.81Å
149V92.5Very high85.8Confident60 Ų6059.8 Ų59.836%0.36430%0.299SS..EExtended strand (participates in β ladder)trans-97.4128.3177.5172.90000110V44 V47 K151V44-V149 HydrophobicContact CB-CG1 4.25Å; V44-V149 HydrophobicContact CG1-CG1 3.86Å; V44-V149 HydrophobicContact CG2-CG1 3.99Å; V47-V149 HydrophobicContact CG2-CG2 4.38Å; V149-K151 HydrophobicContact CG1-CG 3.8Å
150R93.2Very high87Confident38 Ų3860.3 Ų60.314%0.14330%0.301CS..EExtended strand (participates in β ladder)trans-86.3122.4161.8-165.3170.7-169146.32.6108.7D45 S46 F48 E166 V168 S171 K173D45-R150 PolarHBondContact N-O 3.36Å; S46-R150 PolarHBondContact N-O 2.91Å; S46-R150 PolarHBondContact O-N 2.88Å; S46-R150 WeakPolarHBondContact OG-CB 3.14Å; F48-R150 HydrophobicContact CD1-CB 4.44Å; F48-R150 HydrophobicContact CE1-CB 4.1Å; R150-E166 PolarHBondContact NE-O 3.38Å; R150-E166 PolarHBondContact NH1-O 3.46Å; R150-V168 PolarHBondContact NH1-O 3.22Å; R150-S171 PolarHBondContact NH1-O 2.85Å; R150-S171 PolarHBondContact NH2-O 2.93Å; R150-K173 PolarHBondContact NH2-O 2.94Å
151K94.4Very high88.4Confident131 Ų13160.8 Ų60.857%0.5730%0.304SS*.EExtended strand (participates in β ladder)trans-100.8137.7-179.2-60.8-178.5-178.2179.60111.3E43 V149E43-K151 CarbonylContact O-C 3.54Å; E43-K151 WeakPolarHBondContact O-CA 3.48Å; E43-K151 WeakPolarHBondContact O-CB 3.27Å; V149-K151 HydrophobicContact CG1-CG 3.8Å
152S95.9Very high89.7Confident4 Ų458.6 Ų58.63%0.02829%0.292CS..EExtended strand (participates in β ladder)trans-92.3158.9159.557.60000109.3S42 E43 I163S42-S152 WeakPolarHBondContact CA-O 3.36Å; E43-S152 WeakPolarHBondContact CB-OG 3.46Å; E43-S152 PolarHBondContact N-O 2.78Å; E43-S152 PolarHBondContact O-N 3.29Å; S152-I163 WeakPolarHBondContact CA-O 3.41Å; S152-I163 WeakPolarHBondContact CB-O 3.01Å
153V96.7Very high90.9Very high9 Ų957.9 Ų57.96%0.05529%0.286CS..EExtended strand (participates in β ladder)trans-125.9132.3178.2-174.70000108.9Y26 A40 T41 N161 V162 I163Y26-V153 HydrophobicContact CD2-CG1 3.99Å; Y26-V153 HydrophobicContact CE2-CG1 3.85Å; Y26-V153 HydrophobicContact CG-CG1 4.43Å; A40-V153 HydrophobicContact CB-CG1 3.46Å; A40-V153 VanDerWaalsContact CB-CG1 3.46Å; T41-V153 CarbonylContact O-C 3.48Å; T41-V153 WeakPolarHBondContact O-CA 3.5Å; V153-N161 CarbonylContact O-C 3.56Å; V153-N161 WeakPolarHBondContact O-CA 3.35Å; V153-V162 HydrophobicContact CB-CG2 3.87Å; V153-V162 HydrophobicContact CG1-CG2 3.59Å; V153-V162 VanDerWaalsContact O-CG2 3.26Å; V153-V162 WeakPolarHBondContact O-CG2 3.26Å; V153-V162 PolarHBondContact O-N 3.1Å; V153-I163 HydrophobicContact CB-CB 3.97Å; V153-I163 HydrophobicContact CB-CG1 4.34Å; V153-I163 HydrophobicContact CG2-CB 4.14Å; V153-I163 PolarHBondContact N-O 3.34Å; V153-I163 PolarHBondContact O-N 3.35Å; V153-I163 VanDerWaalsContact O-N 3.09Å
154R97Very high92Very high71 Ų7159.5 Ų59.527%0.26829%0.289SS..EExtended strand (participates in β ladder)trans-115.4148.9175.4-68.5-177.4-168.2-102.94.1112.1A40 T41 E43 R156 E159 H160 N161A40-R154 WeakPolarHBondContact CA-O 3.28Å; A40-R154 WeakPolarHBondContact CB-O 3.43Å; T41-R154 PolarHBondContact N-O 2.89Å; T41-R154 PolarHBondContact O-N 3.09Å; E43-R154 WeakPolarHBondContact OE1-CD 3.25Å; E43-R154 IonicContact OE1-CZ 2.68Å; E43-R154 IonicContact OE1-NE 3.29Å; E43-R154 PolarHBondContact OE1-NE 3.32Å; E43-R154 IonicContact OE2-CZ 3.36Å; E43-R154 IonicContact OE2-NE 3.63Å; E43-R154 PolarHBondContact OE2-NE 3.29Å; E43-R154 IonicContact OE2-NH2 3.58Å; E43-R154 PolarHBondContact OE2-NH2 2.94Å; R154-R156 PolarHBondContact O-N 3.16Å; R154-E159 WeakPolarHBondContact CD-O 3.37Å; R154-E159 PolarHBondContact NH1-O 3.33Å; R154-E159 VanDerWaalsContact NH1-O 3.1Å; R154-H160 CarbonylContact C-O 3.55Å; R154-H160 VanDerWaalsContact CA-O 3.28Å; R154-H160 WeakPolarHBondContact CA-O 3.26Å; R154-N161 WeakPolarHBondContact CG-OD1 3.31Å; R154-N161 PolarHBondContact NE-OD1 3.03Å; R154-N161 PolarHBondContact NH1-ND2 2.98Å
155C95.7Very high93Very high1 Ų157.2 Ų57.21%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-65.1124.7165.3178.90000109.1C28 R35 S157 C158 E159 H160 V162C28-C155 HydrophobicContact CB-CB 4.04Å; C28-C155 VanDerWaalsContact SG-CB 3.6Å; R35-C155 PolarHBondContact NE-SG 3.01Å; C155-S157 VanDerWaalsContact C-N 3.27Å; C155-S157 PolarHBondContact O-N 2.9Å; C155-C158 HydrophobicContact CB-CB 4.06Å; C155-C158 PolarHBondContact O-N 3.12Å; C155-E159 VanDerWaalsContact O-CA 3.31Å; C155-E159 WeakPolarHBondContact O-CA 3.24Å; C155-E159 PolarHBondContact O-N 3.47Å; C155-H160 PolarHBondContact N-O 2.95Å; C155-V162 HydrophobicContact CB-CG1 4.18Å
156R93.8Very high93.7Very high149 Ų14956 Ų5656%0.56228%0.277SS*.THydrogen-bonded Turntrans-62.1-33.2179.7-177.8176.9-75.8-178.4-0.2113.2A38 C39 R154A38-R156 PolarHBondContact O-NH2 3.34Å; C39-R156 WeakPolarHBondContact O-CB 3.23Å; R154-R156 PolarHBondContact O-N 3.16Å
157S94.4Very high94Very high84 Ų8457.2 Ų57.259%0.58727%0.27SS*.THydrogen-bonded Turntrans-86.6-29-178.4-58.20000113.9R35 C155R35-S157 PolarHBondContact NH2-OG 3.29Å; C155-S157 VanDerWaalsContact C-N 3.27Å; C155-S157 PolarHBondContact O-N 2.9Å
158C94Very high94.2Very high32 Ų3259.8 Ų59.822%0.21629%0.287CS..THydrogen-bonded Turntrans-105.3-14.4-175.8-55.20000113.3C31 C155 H160C31-C158 WeakPolarHBondContact CB-SG 3.38Å; C31-C158 PolarHBondContact SG-SG 3.04Å; C155-C158 HydrophobicContact CB-CB 4.06Å; C155-C158 PolarHBondContact O-N 3.12Å; C158-H160 HydrophobicContact CB-CB 4.36Å; C158-H160 PolarHBondContact O-N 2.88Å; C158-H160 PolarHBondContact O-ND1 3.49Å
159E94.7Very high94.2Very high150 Ų15057.8 Ų57.870%0.70128%0.275SS*.  trans58.57.2-172.9-54.1-171.5163.300115.3R154 C155R154-E159 WeakPolarHBondContact CD-O 3.37Å; R154-E159 PolarHBondContact NH1-O 3.33Å; R154-E159 VanDerWaalsContact NH1-O 3.1Å; C155-E159 VanDerWaalsContact O-CA 3.31Å; C155-E159 WeakPolarHBondContact O-CA 3.24Å; C155-E159 PolarHBondContact O-N 3.47Å
160H94Very high94.1Very high78 Ų7859 Ų5936%0.36129%0.286SS..  trans-80.1141.1174.9-71.582.8000111Y30 R154 C155 C158 V162Y30-H160 AromaticContact CD1-CD2 3.99Å; Y30-H160 AromaticContact CD1-NE2 3.91Å; Y30-H160 HydrophobicContact CD2-CB 3.43Å; Y30-H160 VanDerWaalsContact CD2-CB 3.43Å; Y30-H160 AromaticContact CD2-CD2 3.84Å; Y30-H160 AromaticContact CD2-CG 3.48Å; Y30-H160 VanDerWaalsContact CD2-CG 3.48Å; Y30-H160 AromaticContact CE1-CD2 3.55Å; Y30-H160 AromaticContact CE1-NE2 3.62Å; Y30-H160 HydrophobicContact CE2-CB 3.36Å; Y30-H160 AromaticContact CE2-CD2 3.38Å; Y30-H160 WeakPolarHBondContact CE2-CD2 3.42Å; Y30-H160 AromaticContact CE2-CG 3.42Å; Y30-H160 VanDerWaalsContact CE2-CG 3.42Å; Y30-H160 HydrophobicContact CG-CB 4.28Å; Y30-H160 AromaticContact CG-CG 3.88Å; Y30-H160 AromaticContact CG-ND1 3.98Å; Y30-H160 AromaticContact CZ-CD2 3.19Å; Y30-H160 AromaticContact CZ-CG 3.75Å; Y30-H160 AromaticContact CZ-NE2 3.79Å; R154-H160 CarbonylContact C-O 3.55Å; R154-H160 VanDerWaalsContact CA-O 3.28Å; R154-H160 WeakPolarHBondContact CA-O 3.26Å; C155-H160 PolarHBondContact N-O 2.95Å; C158-H160 HydrophobicContact CB-CB 4.36Å; C158-H160 PolarHBondContact O-N 2.88Å; C158-H160 PolarHBondContact O-ND1 3.49Å; H160-V162 PolarHBondContact O-N 2.91Å
161N95.1Very high94.1Very high24 Ų2458.1 Ų58.113%0.12829%0.286CS..EExtended strand (participates in β ladder)trans-63.1126.1173.1-72.8-51.4000110.4V153 R154 I176V153-N161 CarbonylContact O-C 3.56Å; V153-N161 WeakPolarHBondContact O-CA 3.35Å; R154-N161 WeakPolarHBondContact CG-OD1 3.31Å; R154-N161 PolarHBondContact NE-OD1 3.03Å; R154-N161 PolarHBondContact NH1-ND2 2.98Å; N161-I176 HydrophobicContact CB-CD1 3.69Å
162V94.7Very high94Very high3 Ų358 Ų582%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-99.3-31.9169.7-65.90000111.6Y26 C28 V153 C155 H160 F178Y26-V162 HydrophobicContact CD1-CG2 4.43Å; Y26-V162 HydrophobicContact CG-CG2 4.12Å; C28-V162 HydrophobicContact CB-CG1 4.3Å; V153-V162 HydrophobicContact CB-CG2 3.87Å; V153-V162 HydrophobicContact CG1-CG2 3.59Å; V153-V162 VanDerWaalsContact O-CG2 3.26Å; V153-V162 WeakPolarHBondContact O-CG2 3.26Å; V153-V162 PolarHBondContact O-N 3.1Å; C155-V162 HydrophobicContact CB-CG1 4.18Å; H160-V162 PolarHBondContact O-N 2.91Å; V162-F178 HydrophobicContact CB-CB 4.34Å; V162-F178 WeakPolarHBondContact O-CA 3.47Å; V162-F178 WeakPolarHBondContact O-CB 3.2Å; V162-F178 PolarHBondContact O-N 3.21Å
163I95.5Very high93.9Very high18 Ų1864.5 Ų64.59%0.09232%0.324CS..EExtended strand (participates in β ladder)trans-133.3128.6174.2-59.4-67000109.2Y26 S152 V153 F174 I176 C179Y26-I163 HydrophobicContact CD1-CD1 4.13Å; Y26-I163 HydrophobicContact CD1-CG1 3.59Å; Y26-I163 HydrophobicContact CE1-CD1 4.25Å; Y26-I163 HydrophobicContact CE1-CG1 3.55Å; S152-I163 WeakPolarHBondContact CA-O 3.41Å; S152-I163 WeakPolarHBondContact CB-O 3.01Å; V153-I163 HydrophobicContact CB-CB 3.97Å; V153-I163 HydrophobicContact CB-CG1 4.34Å; V153-I163 HydrophobicContact CG2-CB 4.14Å; V153-I163 PolarHBondContact N-O 3.34Å; V153-I163 PolarHBondContact O-N 3.35Å; V153-I163 VanDerWaalsContact O-N 3.09Å; I163-F174 HydrophobicContact CG2-CD1 3.83Å; I163-F174 HydrophobicContact CG2-CE1 3.62Å; I163-I176 WeakPolarHBondContact CA-O 3.43Å; I163-C179 HydrophobicContact CD1-CB 4.25Å
164R95.2Very high93.7Very high91 Ų9168.1 Ų68.134%0.34334%0.339SS..EExtended strand (participates in β ladder)trans-147.3123.1169.7-166.3176.1-171.6-177.26110.3D45 F174 K175 I176D45-R164 IonicContact OD1-CZ 2.74Å; D45-R164 IonicContact OD1-NE 3.48Å; D45-R164 PolarHBondContact OD1-NE 2.73Å; D45-R164 IonicContact OD1-NH2 3.3Å; D45-R164 PolarHBondContact OD1-NH2 2.91Å; D45-R164 IonicContact OD2-NE 3.83Å; R164-F174 CarbonylContact O-C 3.59Å; R164-F174 WeakPolarHBondContact O-CA 3.4Å; R164-K175 PolarHBondContact O-N 2.9Å; R164-I176 HydrophobicContact CB-CB 4.06Å; R164-I176 HydrophobicContact CB-CD1 4.34Å; R164-I176 HydrophobicContact CB-CG1 4.3Å; R164-I176 PolarHBondContact N-O 2.91Å; R164-I176 PolarHBondContact O-N 3.03Å
165G93.8Very high93.5Very high3 Ų370.9 Ų70.93%0.03135%0.353CS..EExtended strand (participates in β ladder)trans-74.5172.3175.900000113.1
166E93.2Very high93.4Very high59 Ų5973.1 Ų73.128%0.27636%0.364SS..  trans-70.5156.5159-71.1179.3176.400110.9R150 V168 S171 K173 K175R150-E166 PolarHBondContact NE-O 3.38Å; R150-E166 PolarHBondContact NH1-O 3.46Å; E166-V168 PolarHBondContact O-N 2.97Å; E166-S171 WeakPolarHBondContact OE2-CB 3.48Å; E166-S171 PolarHBondContact OE2-OG 3.32Å; E166-K173 HydrophobicContact CG-CB 4.21Å; E166-K173 PolarHBondContact N-O 2.84Å; E166-K173 VanDerWaalsContact N-O 3.15Å; E166-K173 WeakPolarHBondContact OE1-CB 3.12Å; E166-K175 HydrophobicContact CG-CG 4.03Å
167Y91Very high93.3Very high114 Ų11470.1 Ų70.145%0.44736%0.357SS..SBendtrans-70-23.6-178.3-176.3-109.2000112.5N55 P169N55-Y167 HydrophobicContact CB-CE1 4.1Å; N55-Y167 WeakPolarHBondContact ND2-CD1 3.17Å; N55-Y167 WeakPolarHBondContact ND2-CE1 3.17Å; N55-Y167 PolarHBondContact ND2-O 2.82Å; Y167-P169 WeakPolarHBondContact O-CD 3.47Å
168V92.5Very high93.1Very high75 Ų7568.1 Ų68.146%0.45534%0.338SS..SBendtrans-72.5122.6-177.8-175.70000110.3R150 E166 S170 S171R150-V168 PolarHBondContact NH1-O 3.22Å; E166-V168 PolarHBondContact O-N 2.97Å; V168-S170 VanDerWaalsContact C-N 3.31Å; V168-S170 VanDerWaalsContact CG1-OG 3.3Å; V168-S170 WeakPolarHBondContact CG1-OG 3.22Å; V168-S170 PolarHBondContact O-N 2.93Å; V168-S171 WeakPolarHBondContact O-CB 3.47Å; V168-S171 PolarHBondContact O-N 3.34Å
169P90Very high93Very high20 Ų2067.6 Ų67.613%0.1333%0.334CS..THydrogen-bonded Turntrans-65.7-29.6-174.9-2840.2000114.5F48 L53 N55 Y167 S171F48-P169 HydrophobicContact CB-CB 4.07Å; F48-P169 HydrophobicContact CB-CG 3.66Å; F48-P169 HydrophobicContact CD1-CB 4.32Å; F48-P169 HydrophobicContact CD1-CG 4.45Å; F48-P169 HydrophobicContact CD2-CB 3.62Å; F48-P169 HydrophobicContact CD2-CG 4.19Å; F48-P169 HydrophobicContact CE2-CB 4.08Å; F48-P169 HydrophobicContact CG-CB 3.75Å; F48-P169 HydrophobicContact CG-CG 3.87Å; L53-P169 HydrophobicContact CB-CB 4.24Å; L53-P169 HydrophobicContact CD2-CB 4.48Å; L53-P169 VanDerWaalsContact O-CG 3.25Å; L53-P169 WeakPolarHBondContact O-CG 3.1Å; N55-P169 WeakPolarHBondContact ND2-CD 3.4Å; N55-P169 VanDerWaalsContact OD1-CG 3.23Å; N55-P169 WeakPolarHBondContact OD1-CG 3.29Å; Y167-P169 WeakPolarHBondContact O-CD 3.47Å; P169-S171 VanDerWaalsContact C-N 3.25Å; P169-S171 PolarHBondContact O-N 2.94Å
170S91.5Very high92.7Very high84 Ų8460.4 Ų60.459%0.58730%0.3SS*.THydrogen-bonded Turntrans-74.2-13.2174.959.20000113.6V168V168-S170 VanDerWaalsContact C-N 3.31Å; V168-S170 VanDerWaalsContact CG1-OG 3.3Å; V168-S170 WeakPolarHBondContact CG1-OG 3.22Å; V168-S170 PolarHBondContact O-N 2.93Å
171S93Very high92.4Very high20 Ų2060 Ų6014%0.1430%0.299CS..  trans-84.9123.5-176.1-175.90000112.5R150 E166 V168 P169 K173R150-S171 PolarHBondContact NH1-O 2.85Å; R150-S171 PolarHBondContact NH2-O 2.93Å; E166-S171 WeakPolarHBondContact OE2-CB 3.48Å; E166-S171 PolarHBondContact OE2-OG 3.32Å; V168-S171 WeakPolarHBondContact O-CB 3.47Å; V168-S171 PolarHBondContact O-N 3.34Å; P169-S171 VanDerWaalsContact C-N 3.25Å; P169-S171 PolarHBondContact O-N 2.94Å; S171-K173 VanDerWaalsContact C-N 3.28Å; S171-K173 WeakPolarHBondContact OG-CB 3.15Å; S171-K173 PolarHBondContact OG-N 2.82Å; S171-K173 VanDerWaalsContact OG-N 3.16Å
172V92.2Very high91.9Very high130 Ų13060.8 Ų60.879%0.78830%0.303SS*.  trans-82.7-3.7169.4-60.30000113F174V172-F174 WeakPolarHBondContact O-CE2 3.49Å
173K93.8Very high91.3Very high139 Ų13961.5 Ų61.560%0.60431%0.307SS*.  trans-78.2153.5-178.7-62178.8-178.9175.40111.3R150 E166 S171R150-K173 PolarHBondContact NH2-O 2.94Å; E166-K173 HydrophobicContact CG-CB 4.21Å; E166-K173 PolarHBondContact N-O 2.84Å; E166-K173 VanDerWaalsContact N-O 3.15Å; E166-K173 WeakPolarHBondContact OE1-CB 3.12Å; S171-K173 VanDerWaalsContact C-N 3.28Å; S171-K173 WeakPolarHBondContact OG-CB 3.15Å; S171-K173 PolarHBondContact OG-N 2.82Å; S171-K173 VanDerWaalsContact OG-N 3.16Å
174F91.7Very high90.7Very high85 Ų8560.7 Ų60.737%0.37330%0.303SS..EExtended strand (participates in β ladder)trans-115.3134.5178.4-68.6-89000110.2I163 R164 V172 Q177I163-F174 HydrophobicContact CG2-CD1 3.83Å; I163-F174 HydrophobicContact CG2-CE1 3.62Å; R164-F174 CarbonylContact O-C 3.59Å; R164-F174 WeakPolarHBondContact O-CA 3.4Å; V172-F174 WeakPolarHBondContact O-CE2 3.49Å; F174-Q177 HydrophobicContact CB-CB 3.69Å; F174-Q177 HydrophobicContact CB-CG 3.99Å; F174-Q177 HydrophobicContact CD2-CG 3.91Å; F174-Q177 HydrophobicContact CG-CB 4.14Å; F174-Q177 HydrophobicContact CG-CG 3.89Å
175K93.3Very high90.1Very high129 Ų12956.4 Ų56.456%0.56129%0.287SS*.EExtended strand (participates in β ladder)trans-72.1-34.8166.6-69.2-178.5175.1-179.90111R164 E166R164-K175 PolarHBondContact O-N 2.9Å; E166-K175 HydrophobicContact CG-CG 4.03Å
176I93.2Very high89.6Confident49 Ų4957.8 Ų57.825%0.25129%0.292SS..EExtended strand (participates in β ladder)trans-136.9125.8176-56.7174.7000108N161 I163 R164 F178N161-I176 HydrophobicContact CB-CD1 3.69Å; I163-I176 WeakPolarHBondContact CA-O 3.43Å; R164-I176 HydrophobicContact CB-CB 4.06Å; R164-I176 HydrophobicContact CB-CD1 4.34Å; R164-I176 HydrophobicContact CB-CG1 4.3Å; R164-I176 PolarHBondContact N-O 2.91Å; R164-I176 PolarHBondContact O-N 3.03Å; I176-F178 HydrophobicContact CG2-CD2 3.64Å; I176-F178 HydrophobicContact CG2-CE2 3.51Å; I176-F178 HydrophobicContact CG2-CG 4.38Å; I176-F178 HydrophobicContact CG2-CZ 4.19Å
177Q91.9Very high89.1Confident85 Ų8556.6 Ų56.640%0.39729%0.289SS..EExtended strand (participates in β ladder)trans-138.769.8-174-158.5-178.3-0.100112.6F174 C179 L182F174-Q177 HydrophobicContact CB-CB 3.69Å; F174-Q177 HydrophobicContact CB-CG 3.99Å; F174-Q177 HydrophobicContact CD2-CG 3.91Å; F174-Q177 HydrophobicContact CG-CB 4.14Å; F174-Q177 HydrophobicContact CG-CG 3.89Å; Q177-C179 VanDerWaalsContact C-N 3.26Å; Q177-C179 PolarHBondContact O-N 3.46Å; Q177-L182 VanDerWaalsContact CD-CD1 3.42Å; Q177-L182 HydrophobicContact CG-CD1 3.71Å
178F90.8Very high88.7Confident43 Ų4355.2 Ų55.219%0.18928%0.283CS..  trans-92.952.8173.8-52.8-49000112F27 K29 V162 I176 L183F27-F178 PolarHBondContact N-O 2.86Å; F27-F178 WeakPolarHBondContact O-CB 3.47Å; K29-F178 HydrophobicContact CD-CE1 4.04Å; K29-F178 HydrophobicContact CD-CE2 3.84Å; K29-F178 HydrophobicContact CD-CZ 3.5Å; K29-F178 HydrophobicContact CG-CD2 4.43Å; K29-F178 HydrophobicContact CG-CE2 4.04Å; K29-F178 HydrophobicContact CG-CZ 4.15Å; V162-F178 HydrophobicContact CB-CB 4.34Å; V162-F178 WeakPolarHBondContact O-CA 3.47Å; V162-F178 WeakPolarHBondContact O-CB 3.2Å; V162-F178 PolarHBondContact O-N 3.21Å; I176-F178 HydrophobicContact CG2-CD2 3.64Å; I176-F178 HydrophobicContact CG2-CE2 3.51Å; I176-F178 HydrophobicContact CG2-CG 4.38Å; I176-F178 HydrophobicContact CG2-CZ 4.19Å; F178-L183 HydrophobicContact CB-CD1 3.76Å; F178-L183 HydrophobicContact CD1-CD1 3.88Å; F178-L183 HydrophobicContact CG-CD1 4.25Å
179C91Very high88.1Confident20 Ų2054.7 Ų54.714%0.13528%0.278CS..BIsolated β-bridgetrans-72.5136.7168.6-1750000109.1I163 Q177 M181 L182I163-C179 HydrophobicContact CD1-CB 4.25Å; Q177-C179 VanDerWaalsContact C-N 3.26Å; Q177-C179 PolarHBondContact O-N 3.46Å; C179-M181 VanDerWaalsContact C-N 3.28Å; C179-M181 PolarHBondContact O-N 3.32Å; C179-L182 HydrophobicContact CB-CD1 4.34Å; C179-L182 HydrophobicContact CB-CG 4.48Å; C179-L182 PolarHBondContact O-N 3.45Å; C179-L182 VanDerWaalsContact O-N 3.07Å
180A90Very high87.5Confident0 Ų057.4 Ų57.40%029%0.291CS..G310 helixtrans-58.9-38.5-173.500000112.3L22 L25 L34 L182 L183 V184L22-A180 HydrophobicContact CD1-CB 3.61Å; L22-A180 HydrophobicContact CG-CB 4.19Å; L25-A180 HydrophobicContact CB-CB 3.7Å; L25-A180 VanDerWaalsContact O-CB 3.28Å; L25-A180 WeakPolarHBondContact O-CB 3.38Å; L25-A180 PolarHBondContact O-N 2.78Å; L34-A180 HydrophobicContact CD2-CB 3.59Å; A180-L182 PolarHBondContact O-N 3.35Å; A180-L183 PolarHBondContact O-N 2.93Å; A180-L183 VanDerWaalsContact O-N 3.09Å; A180-V184 HydrophobicContact CB-CG2 4.38Å; A180-V184 WeakPolarHBondContact O-CA 3Å; A180-V184 VanDerWaalsContact O-CB 3.23Å; A180-V184 WeakPolarHBondContact O-CB 3.38Å; A180-V184 PolarHBondContact O-N 3.2Å
181M87Confident86.7Confident69 Ų6960.7 Ų60.734%0.3429%0.294SS..G310 helixtrans-58.4-20.7177.9-69.9-166.2-57.900115.6L22 C23 C179L22-M181 HydrophobicContact CB-CG 4.04Å; L22-M181 HydrophobicContact CD2-CG 4.12Å; L22-M181 HydrophobicContact CG-CG 3.81Å; C23-M181 WeakPolarHBondContact CA-SD 3.22Å; C23-M181 HydrophobicContact CB-CE 3.5Å; C23-M181 VanDerWaalsContact CB-CE 3.5Å; C23-M181 HydrophobicContact CB-CG 4.09Å; C23-M181 HydrophobicContact CB-SD 3.21Å; C23-M181 WeakPolarHBondContact CB-SD 3.47Å; C179-M181 VanDerWaalsContact C-N 3.28Å; C179-M181 PolarHBondContact O-N 3.32Å
182L85Confident85.7Confident40 Ų4068.8 Ų68.821%0.20932%0.322CS..G310 helixtrans-94-10.1-178.1-62.4177.4000113.6Q177 C179 A180 T207Q177-L182 VanDerWaalsContact CD-CD1 3.42Å; Q177-L182 HydrophobicContact CG-CD1 3.71Å; C179-L182 HydrophobicContact CB-CD1 4.34Å; C179-L182 HydrophobicContact CB-CG 4.48Å; C179-L182 PolarHBondContact O-N 3.45Å; C179-L182 VanDerWaalsContact O-N 3.07Å; A180-L182 PolarHBondContact O-N 3.35Å; L182-T207 PolarHBondContact O-OG1 3.3Å
183L82.5Confident84.7Confident18 Ų1865 Ų659%0.09430%0.3CS..THydrogen-bonded Turntrans-127.7-29.8-169.5-59.1172.8000111.7F27 F178 A180 N211 A215F27-L183 HydrophobicContact CB-CD1 3.88Å; F27-L183 HydrophobicContact CD1-CB 4.36Å; F27-L183 HydrophobicContact CD1-CD1 3.66Å; F27-L183 HydrophobicContact CG-CD1 4.13Å; F178-L183 HydrophobicContact CB-CD1 3.76Å; F178-L183 HydrophobicContact CD1-CD1 3.88Å; F178-L183 HydrophobicContact CG-CD1 4.25Å; A180-L183 PolarHBondContact O-N 2.93Å; A180-L183 VanDerWaalsContact O-N 3.09Å; L183-N211 HydrophobicContact CD2-CB 4.16Å; L183-N211 VanDerWaalsContact CD2-ND2 3.29Å; L183-N211 WeakPolarHBondContact CD2-ND2 3.28Å; L183-A215 WeakPolarHBondContact O-CB 3.48Å
184V82.5Confident83.7Confident2 Ų263.8 Ų63.81%0.01230%0.3CS..SBendtrans-109.1133-172.6179.10000108.4Y12 L22 F27 L34 A180 E186 A215 F219Y12-V184 HydrophobicContact CE1-CG1 4.21Å; L22-V184 HydrophobicContact CD1-CB 4.12Å; L22-V184 HydrophobicContact CD1-CG1 3.99Å; F27-V184 HydrophobicContact CB-CG2 4.34Å; F27-V184 HydrophobicContact CD2-CG2 3.71Å; F27-V184 HydrophobicContact CE2-CG2 4.23Å; F27-V184 HydrophobicContact CG-CG2 4.16Å; L34-V184 HydrophobicContact CD2-CG2 4.1Å; A180-V184 HydrophobicContact CB-CG2 4.38Å; A180-V184 WeakPolarHBondContact O-CA 3Å; A180-V184 VanDerWaalsContact O-CB 3.23Å; A180-V184 WeakPolarHBondContact O-CB 3.38Å; A180-V184 PolarHBondContact O-N 3.2Å; V184-E186 PolarHBondContact O-N 3.44Å; V184-A215 HydrophobicContact CG2-CB 4.2Å; V184-F219 HydrophobicContact CG1-CE1 4.4Å; V184-F219 HydrophobicContact CG1-CE2 3.67Å; V184-F219 HydrophobicContact CG1-CZ 3.27Å
185P82.6Confident82.5Confident1 Ų169.2 Ų69.21%0.00633%0.329CS..PPolyproline II helixtrans-54126.2177.5-28.536.5000112.2Y12 T205 V206 L212 L226Y12-P185 PolarHBondContact OH-O 2.95Å; P185-T205 WeakPolarHBondContact CA-O 3.47Å; P185-V206 HydrophobicContact CB-CG2 4.1Å; P185-V206 HydrophobicContact CG-CG2 4.18Å; P185-L212 HydrophobicContact CG-CD1 3.33Å; P185-L226 HydrophobicContact CB-CD2 4.16Å; P185-L226 HydrophobicContact CG-CD2 3.86Å
186E83Confident81.5Confident31 Ų3170.4 Ų70.415%0.14534%0.341CS..EExtended strand (participates in β ladder)trans-85.5122.6176.5-171.9-175.4-17700109.9Y12 L22 V184 R188 L204 T205Y12-E186 WeakPolarHBondContact OH-CA 3.21Å; L22-E186 HydrophobicContact CD2-CB 3.85Å; L22-E186 HydrophobicContact CD2-CG 4.07Å; V184-E186 PolarHBondContact O-N 3.44Å; E186-R188 VanDerWaalsContact CD-NH2 3.25Å; E186-R188 HydrophobicContact CG-CG 4.14Å; E186-R188 IonicContact OE1-CZ 3.22Å; E186-R188 IonicContact OE1-NE 2.73Å; E186-R188 PolarHBondContact OE1-NE 2.73Å; E186-R188 IonicContact OE1-NH2 2.83Å; E186-R188 PolarHBondContact OE1-NH2 2.92Å; E186-R188 IonicContact OE2-CZ 3.41Å; E186-R188 IonicContact OE2-NE 3.03Å; E186-R188 PolarHBondContact OE2-NE 2.82Å; E186-R188 IonicContact OE2-NH2 2.89Å; E186-R188 PolarHBondContact OE2-NH2 3.45Å; E186-L204 CarbonylContact O-C 3.58Å; E186-L204 WeakPolarHBondContact O-CA 3.5Å; E186-T205 PolarHBondContact N-O 3.34Å; E186-T205 PolarHBondContact O-N 3.08Å
187V82.4Confident80.4Confident35 Ų3571.7 Ų71.721%0.21235%0.348CS..EExtended strand (participates in β ladder)trans-93.8125.6172.6-175.60000107.8T10 Y12 V202 F203 L204T10-V187 WeakPolarHBondContact CG2-O 3.47Å; T10-V187 PolarHBondContact OG1-O 3.38Å; Y12-V187 WeakPolarHBondContact OH-CG2 3.42Å; Y12-V187 PolarHBondContact OH-N 3.33Å; V187-V202 HydrophobicContact CG1-CB 4.17Å; V187-V202 HydrophobicContact CG1-CG1 4.36Å; V187-V202 HydrophobicContact CG1-CG2 4.42Å; V187-F203 CarbonylContact C-O 3.49Å; V187-F203 WeakPolarHBondContact CA-O 3.47Å; V187-L204 HydrophobicContact CB-CD2 3.99Å; V187-L204 HydrophobicContact CG1-CD2 4Å; V187-L204 HydrophobicContact CG2-CD2 3.48Å; V187-L204 VanDerWaalsContact CG2-CD2 3.48Å
188R82.3Confident79.6Confident85 Ų8573.9 Ų73.932%0.32136%0.363SS..EExtended strand (participates in β ladder)trans-125.1136.6174.2-65.5-174.2173.7177.76.2109.7E186 V202 F203E186-R188 VanDerWaalsContact CD-NH2 3.25Å; E186-R188 HydrophobicContact CG-CG 4.14Å; E186-R188 IonicContact OE1-CZ 3.22Å; E186-R188 IonicContact OE1-NE 2.73Å; E186-R188 PolarHBondContact OE1-NE 2.73Å; E186-R188 IonicContact OE1-NH2 2.83Å; E186-R188 PolarHBondContact OE1-NH2 2.92Å; E186-R188 IonicContact OE2-CZ 3.41Å; E186-R188 IonicContact OE2-NE 3.03Å; E186-R188 PolarHBondContact OE2-NE 2.82Å; E186-R188 IonicContact OE2-NH2 2.89Å; E186-R188 PolarHBondContact OE2-NH2 3.45Å; R188-V202 CarbonylContact O-C 3.52Å; R188-V202 VanDerWaalsContact O-CA 3.24Å; R188-V202 WeakPolarHBondContact O-CA 3.44Å; R188-V202 WeakPolarHBondContact O-CB 3.45Å; R188-F203 HydrophobicContact CB-CB 4.28Å; R188-F203 PolarHBondContact N-O 2.88Å; R188-F203 PolarHBondContact O-N 3.17Å
189L79.8Confident79Confident64 Ų6476.4 Ų76.434%0.33538%0.375SS..EExtended strand (participates in β ladder)trans-73.6130.6171.4-60.1178.1000109.2T10 F200 V202T10-L189 HydrophobicContact CG2-CG 4.05Å; L189-F200 HydrophobicContact CD2-CD2 3.92Å; L189-F200 HydrophobicContact CD2-CE2 3.88Å; L189-V202 HydrophobicContact CD2-CG1 3.75Å
190L77.8Confident78.3Confident77 Ų7777.7 Ų77.740%0.40338%0.378SS..SBendtrans-74-43.5173.8-100.3166.6000111.3S201 F203L190-S201 WeakPolarHBondContact CB-O 3.39Å; L190-S201 PolarHBondContact N-O 3.2Å; L190-F203 HydrophobicContact CD1-CD1 4.44Å; L190-F203 HydrophobicContact CD1-CD2 4.06Å; L190-F203 HydrophobicContact CD1-CE1 4.33Å; L190-F203 HydrophobicContact CD1-CE2 4.02Å; L190-F203 HydrophobicContact CD1-CG 4.28Å; L190-F203 HydrophobicContact CD1-CZ 4.11Å; L190-F203 HydrophobicContact CD2-CD2 3.37Å; L190-F203 HydrophobicContact CD2-CE2 2.98Å; L190-F203 HydrophobicContact CD2-CG 4.37Å; L190-F203 HydrophobicContact CD2-CZ 3.67Å; L190-F203 HydrophobicContact CG-CD2 3.43Å; L190-F203 VanDerWaalsContact CG-CD2 3.43Å; L190-F203 HydrophobicContact CG-CE2 3.55Å; L190-F203 HydrophobicContact CG-CG 4.04Å; L190-F203 HydrophobicContact CG-CZ 4.16Å
191K74.6Confident77.8Confident153 Ų15380.2 Ų80.267%0.66540%0.396SS*.SBendtrans-137.2145.9175.9-169.3-179.2178-171.10107.1
192R73.1Confident77.5Confident189 Ų18977 Ų7771%0.71338%0.381SS*.PPolyproline II helixtrans-64.5123.9170.9-176.2172.7-83-175.8-4.3107.6D6D6-R192 IonicContact OD2-NH2 2.91Å
193P69.8Low77.3Confident52 Ų5278.3 Ų78.334%0.33839%0.385SS..PPolyproline II helixtrans-61.4140.7178.224.5-32.4000109.8F200P193-F200 HydrophobicContact CB-CB 3.97Å; P193-F200 HydrophobicContact CB-CD1 4.44Å; P193-F200 HydrophobicContact CB-CG 4.29Å
194L73.7Confident77.1Confident113 Ų11377.6 Ų77.659%0.59238%0.381SS*.PPolyproline II helixtrans-76.7158166.3-63.5173.7000108.6D196 D197L194-D196 PolarHBondContact O-N 3.14Å; L194-D197 PolarHBondContact N-OD2 2.8Å; L194-D197 PolarHBondContact O-N 3.33Å; L194-D197 VanDerWaalsContact O-N 3.12Å
195M66.8Low76.9Confident199 Ų19978.1 Ų78.198%0.9838%0.384SS*.THydrogen-bonded Turntrans-59.7-21.7-172.9-72.6-178.1130.100113.8
196D71.5Confident76.5Confident154 Ų15478.3 Ų78.382%0.82439%0.385SS*.THydrogen-bonded Turntrans-101.92.8-176.7-55.9-36000113.8L194 D198L194-D196 PolarHBondContact O-N 3.14Å; D196-D198 PolarHBondContact O-N 2.73Å
197D69.6Low75.9Confident76 Ų7677.8 Ų77.841%0.40638%0.384SS..  trans-80103.4-178.1-73.9-24.1000111L194 Q199L194-D197 PolarHBondContact N-OD2 2.8Å; L194-D197 PolarHBondContact O-N 3.33Å; L194-D197 VanDerWaalsContact O-N 3.12Å; D197-Q199 PolarHBondContact O-N 3.44Å
198D77Confident75Confident130 Ų13078.8 Ų78.870%0.69539%0.388SS*.SBendtrans-62.9-19.4170.7-91.8-19.7000113.2D196 S260D196-D198 PolarHBondContact O-N 2.73Å; D198-S260 WeakPolarHBondContact O-CA 3.46Å; D198-S260 PolarHBondContact O-OG 3.23Å
199Q76.5Confident74Confident97 Ų9777.5 Ų77.545%0.45339%0.385SS..EExtended strand (participates in β ladder)trans-137.7135.7-179.4-65.7-172.82.800111.3D197 I258 F259D197-Q199 PolarHBondContact O-N 3.44Å; Q199-I258 HydrophobicContact CB-CG2 3.79Å; Q199-I258 HydrophobicContact CG-CG2 4.2Å; Q199-F259 CarbonylContact C-O 3.55Å; Q199-F259 VanDerWaalsContact CA-O 3.27Å; Q199-F259 WeakPolarHBondContact CA-O 3.43Å
200F77.7Confident73.1Confident46 Ų4677.4 Ų77.420%0.20239%0.393CS..EExtended strand (participates in β ladder)trans-136.2144.2176.656.8-88.9000111.6L189 P193 V202 F259L189-F200 HydrophobicContact CD2-CD2 3.92Å; L189-F200 HydrophobicContact CD2-CE2 3.88Å; P193-F200 HydrophobicContact CB-CB 3.97Å; P193-F200 HydrophobicContact CB-CD1 4.44Å; P193-F200 HydrophobicContact CB-CG 4.29Å; F200-V202 HydrophobicContact CD2-CG1 3.53Å; F200-V202 HydrophobicContact CE2-CG1 3.53Å; F200-F259 HydrophobicContact CD2-CB 4.18Å; F200-F259 HydrophobicContact CE1-CB 4.45Å; F200-F259 AromaticContact CE1-CD1 3.76Å; F200-F259 HydrophobicContact CE1-CD1 3.76Å; F200-F259 HydrophobicContact CE2-CB 3.85Å; F200-F259 AromaticContact CE2-CD1 3.99Å; F200-F259 HydrophobicContact CE2-CD1 3.99Å; F200-F259 HydrophobicContact CE2-CG 4.16Å; F200-F259 HydrophobicContact CZ-CB 4Å; F200-F259 AromaticContact CZ-CD1 3.33Å; F200-F259 HydrophobicContact CZ-CD1 3.33Å; F200-F259 HydrophobicContact CZ-CE1 4.18Å; F200-F259 AromaticContact CZ-CG 3.96Å; F200-F259 HydrophobicContact CZ-CG 3.96Å; F200-F259 PolarHBondContact N-O 3.31Å; F200-F259 PolarHBondContact O-N 2.83Å
201S79.4Confident72.3Confident54 Ų5475.6 Ų75.638%0.37838%0.384SS..EExtended strand (participates in β ladder)trans-80.4134.5179-49.30000111.1L190 C257L190-S201 WeakPolarHBondContact CB-O 3.39Å; L190-S201 PolarHBondContact N-O 3.2Å; S201-C257 CarbonylContact C-O 3.57Å; S201-C257 VanDerWaalsContact CA-O 3.31Å; S201-C257 WeakPolarHBondContact CA-O 3.44Å
202V79.7Confident71.7Confident2 Ų268.3 Ų68.31%0.01235%0.353CS..EExtended strand (participates in β ladder)trans-128.9145.6174.9-57.70000110.3V187 R188 L189 F200 L204 C257 F259V187-V202 HydrophobicContact CG1-CB 4.17Å; V187-V202 HydrophobicContact CG1-CG1 4.36Å; V187-V202 HydrophobicContact CG1-CG2 4.42Å; R188-V202 CarbonylContact O-C 3.52Å; R188-V202 VanDerWaalsContact O-CA 3.24Å; R188-V202 WeakPolarHBondContact O-CA 3.44Å; R188-V202 WeakPolarHBondContact O-CB 3.45Å; L189-V202 HydrophobicContact CD2-CG1 3.75Å; F200-V202 HydrophobicContact CD2-CG1 3.53Å; F200-V202 HydrophobicContact CE2-CG1 3.53Å; V202-L204 HydrophobicContact CG2-CD2 4.32Å; V202-L204 HydrophobicContact CG2-CG 4.43Å; V202-C257 HydrophobicContact CG2-CB 3.8Å; V202-C257 PolarHBondContact N-O 3.05Å; V202-C257 PolarHBondContact O-N 3.15Å; V202-F259 HydrophobicContact CG1-CB 4.38Å; V202-F259 HydrophobicContact CG2-CB 4.33Å
203F81Confident71.2Confident66 Ų6664.4 Ų64.429%0.28935%0.345SS..EExtended strand (participates in β ladder)trans-90.2125.5163.5-84.4-53.8000110.1V187 R188 L190 F255V187-F203 CarbonylContact C-O 3.49Å; V187-F203 WeakPolarHBondContact CA-O 3.47Å; R188-F203 HydrophobicContact CB-CB 4.28Å; R188-F203 PolarHBondContact N-O 2.88Å; R188-F203 PolarHBondContact O-N 3.17Å; L190-F203 HydrophobicContact CD1-CD1 4.44Å; L190-F203 HydrophobicContact CD1-CD2 4.06Å; L190-F203 HydrophobicContact CD1-CE1 4.33Å; L190-F203 HydrophobicContact CD1-CE2 4.02Å; L190-F203 HydrophobicContact CD1-CG 4.28Å; L190-F203 HydrophobicContact CD1-CZ 4.11Å; L190-F203 HydrophobicContact CD2-CD2 3.37Å; L190-F203 HydrophobicContact CD2-CE2 2.98Å; L190-F203 HydrophobicContact CD2-CG 4.37Å; L190-F203 HydrophobicContact CD2-CZ 3.67Å; L190-F203 HydrophobicContact CG-CD2 3.43Å; L190-F203 VanDerWaalsContact CG-CD2 3.43Å; L190-F203 HydrophobicContact CG-CE2 3.55Å; L190-F203 HydrophobicContact CG-CG 4.04Å; L190-F203 HydrophobicContact CG-CZ 4.16Å; F203-F255 CarbonylContact C-O 3.52Å; F203-F255 WeakPolarHBondContact CA-O 3.45Å
204L77.5Confident70.9Confident3 Ų365.4 Ų65.42%0.01635%0.348CS..EExtended strand (participates in β ladder)trans-100.9119.2166.4-58.2179.4000108.7E186 V187 V202 I223 L226 R254 F255 C257 I265E186-L204 CarbonylContact O-C 3.58Å; E186-L204 WeakPolarHBondContact O-CA 3.5Å; V187-L204 HydrophobicContact CB-CD2 3.99Å; V187-L204 HydrophobicContact CG1-CD2 4Å; V187-L204 HydrophobicContact CG2-CD2 3.48Å; V187-L204 VanDerWaalsContact CG2-CD2 3.48Å; V202-L204 HydrophobicContact CG2-CD2 4.32Å; V202-L204 HydrophobicContact CG2-CG 4.43Å; L204-I223 HydrophobicContact CD1-CG2 4.36Å; L204-L226 HydrophobicContact CD1-CD1 3.71Å; L204-R254 CarbonylContact O-C 3.58Å; L204-R254 WeakPolarHBondContact O-CA 3.5Å; L204-F255 HydrophobicContact CB-CB 4.29Å; L204-F255 PolarHBondContact N-O 3.49Å; L204-F255 PolarHBondContact O-N 3.2Å; L204-C257 HydrophobicContact CD1-CB 4.27Å; L204-C257 WeakPolarHBondContact CD1-SG 3.49Å; L204-C257 HydrophobicContact CG-CB 4.44Å; L204-C257 VanDerWaalsContact CG-SG 3.59Å; L204-I265 HydrophobicContact CD1-CD1 3.43Å; L204-I265 VanDerWaalsContact CD1-CD1 3.43Å
205T78.8Confident70.4Confident13 Ų1360 Ų608%0.0832%0.32CS..EExtended strand (participates in β ladder)trans-104.4112.8174.6-56.50000108.5P185 E186 T252 R254P185-T205 WeakPolarHBondContact CA-O 3.47Å; E186-T205 PolarHBondContact N-O 3.34Å; E186-T205 PolarHBondContact O-N 3.08Å; T205-T252 HydrophobicContact CG2-CG2 3.29Å; T205-R254 HydrophobicContact CG2-CG 4.33Å
206V74.5Confident70.2Confident5 Ų552 Ų523%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-103.9120.6177.8-177.70000108.5P185 L212 V230 T252 T253 F255P185-V206 HydrophobicContact CB-CG2 4.1Å; P185-V206 HydrophobicContact CG-CG2 4.18Å; V206-L212 HydrophobicContact CG1-CB 4.43Å; V206-L212 HydrophobicContact CG1-CD1 3.96Å; V206-L212 HydrophobicContact CG1-CD2 4.35Å; V206-L212 HydrophobicContact CG1-CG 4.48Å; V206-V230 HydrophobicContact CG2-CG2 4.23Å; V206-T252 WeakPolarHBondContact O-CA 3.17Å; V206-T253 PolarHBondContact N-O 3Å; V206-T253 PolarHBondContact O-N 3.13Å; V206-F255 HydrophobicContact CB-CE2 4.11Å; V206-F255 HydrophobicContact CG2-CD2 4.03Å; V206-F255 HydrophobicContact CG2-CE2 3.75Å
207T69.8Low69.7Low20 Ų2048.2 Ų48.212%0.12327%0.268CS..EExtended strand (participates in β ladder)trans-104.8118177.547.50000109.5L182 T252L182-T207 PolarHBondContact O-OG1 3.3Å; T207-T252 HydrophobicContact CG2-CG2 3.94Å
208N63.5Low69.3Low56 Ų5646.6 Ų46.630%0.29926%0.261SS..  trans55.7107-178-174.813.8000114.7A210 N211 R251N208-A210 VanDerWaalsContact C-N 3.25Å; N208-A210 PolarHBondContact O-N 2.88Å; N208-A210 VanDerWaalsContact O-N 3.14Å; N208-A210 PolarHBondContact OD1-N 3.49Å; N208-N211 PolarHBondContact ND2-ND2 2.94Å; N208-N211 WeakPolarHBondContact O-CB 3.49Å; N208-N211 PolarHBondContact O-N 3.17Å; N208-R251 PolarHBondContact N-O 3.44Å
209F62.2Low68.5Low59 Ų5942 Ų4226%0.25924%0.235SC..Hα-helixtrans-57.3-32.6-177.2-174.1-102.5000114.5N211 L212 V230 T231 T234F209-N211 PolarHBondContact O-N 3.37Å; F209-L212 HydrophobicContact CD2-CB 4.41Å; F209-L212 HydrophobicContact CD2-CD2 3.87Å; F209-L212 HydrophobicContact CE2-CD2 3.68Å; F209-L212 WeakPolarHBondContact O-CB 3.36Å; F209-L212 PolarHBondContact O-N 2.9Å; F209-V230 HydrophobicContact CD2-CB 4.35Å; F209-V230 HydrophobicContact CD2-CG1 3.44Å; F209-V230 VanDerWaalsContact CD2-CG1 3.44Å; F209-V230 HydrophobicContact CE2-CB 3.97Å; F209-V230 HydrophobicContact CE2-CG1 3.54Å; F209-T231 HydrophobicContact CZ-CG2 4.1Å; F209-T231 VanDerWaalsContact CZ-OG1 3.28Å; F209-T231 WeakPolarHBondContact CZ-OG1 3.47Å; F209-T234 HydrophobicContact CD2-CG2 4.1Å; F209-T234 HydrophobicContact CG-CG2 4.48Å
210A60.9Low67.5Low61 Ų6142 Ų4250%0.50425%0.246SC..Hα-helixtrans-60-34.4178.800000112.4N208 L212N208-A210 VanDerWaalsContact C-N 3.25Å; N208-A210 PolarHBondContact O-N 2.88Å; N208-A210 VanDerWaalsContact O-N 3.14Å; N208-A210 PolarHBondContact OD1-N 3.49Å; A210-L212 VanDerWaalsContact C-N 3.28Å; A210-L212 PolarHBondContact O-N 3.25Å
211N60.7Low66.2Low39 Ų3947.7 Ų47.721%0.20927%0.266CS..Hα-helixtrans-76.2-18.2178-60.2-26000112.3L183 N208 F209 D214 A215L183-N211 HydrophobicContact CD2-CB 4.16Å; L183-N211 VanDerWaalsContact CD2-ND2 3.29Å; L183-N211 WeakPolarHBondContact CD2-ND2 3.28Å; N208-N211 PolarHBondContact ND2-ND2 2.94Å; N208-N211 WeakPolarHBondContact O-CB 3.49Å; N208-N211 PolarHBondContact O-N 3.17Å; F209-N211 PolarHBondContact O-N 3.37Å; N211-D214 PolarHBondContact O-N 3.15Å; N211-A215 VanDerWaalsContact O-CB 3.31Å; N211-A215 WeakPolarHBondContact O-CB 3.37Å; N211-A215 PolarHBondContact O-N 3.03Å
212L61.6Low65Low1 Ų147.5 Ų47.51%0.00526%0.264CS..Hα-helixtrans-67.9-36.8-177.8-173.871.4000111.6P185 V206 F209 A210 D214 A215 V216 L226 V230P185-L212 HydrophobicContact CG-CD1 3.33Å; V206-L212 HydrophobicContact CG1-CB 4.43Å; V206-L212 HydrophobicContact CG1-CD1 3.96Å; V206-L212 HydrophobicContact CG1-CD2 4.35Å; V206-L212 HydrophobicContact CG1-CG 4.48Å; F209-L212 HydrophobicContact CD2-CB 4.41Å; F209-L212 HydrophobicContact CD2-CD2 3.87Å; F209-L212 HydrophobicContact CE2-CD2 3.68Å; F209-L212 WeakPolarHBondContact O-CB 3.36Å; F209-L212 PolarHBondContact O-N 2.9Å; A210-L212 VanDerWaalsContact C-N 3.28Å; A210-L212 PolarHBondContact O-N 3.25Å; L212-D214 VanDerWaalsContact C-N 3.34Å; L212-D214 PolarHBondContact O-N 2.93Å; L212-A215 PolarHBondContact O-N 3.33Å; L212-V216 HydrophobicContact CD1-CG2 3.61Å; L212-V216 HydrophobicContact CD2-CG2 4.43Å; L212-V216 HydrophobicContact CG-CG2 3.62Å; L212-V216 VanDerWaalsContact O-CB 3.27Å; L212-V216 WeakPolarHBondContact O-CB 3.5Å; L212-V216 WeakPolarHBondContact O-CG2 3.47Å; L212-V216 PolarHBondContact O-N 3.3Å; L212-L226 HydrophobicContact CD1-CD2 4.08Å; L212-V230 HydrophobicContact CD2-CB 3.57Å; L212-V230 HydrophobicContact CD2-CG1 3.71Å; L212-V230 HydrophobicContact CD2-CG2 3.85Å
213L63.1Low64Low106 Ų10647.9 Ų47.956%0.55527%0.266SS*.Hα-helixtrans-62.4-45.3178.9-69.6172.7000110.8
214D63.8Low62.6Low74 Ų7452.4 Ų52.440%0.39629%0.285SS..Hα-helixtrans-63.9-41.7175.3-67.6-16.7000111.1F27 L32 N211 L212 S217F27-D214 HydrophobicContact CZ-CB 4.39Å; L32-D214 HydrophobicContact CD2-CB 3.91Å; N211-D214 PolarHBondContact O-N 3.15Å; L212-D214 VanDerWaalsContact C-N 3.34Å; L212-D214 PolarHBondContact O-N 2.93Å; D214-S217 PolarHBondContact O-OG 3.36Å
215A62.3Low61.7Low0 Ų054.4 Ų54.40%031%0.306CS..Hα-helixtrans-75.5-36.3-177.600000113.9L183 V184 N211 L212 S217 C218 F219L183-A215 WeakPolarHBondContact O-CB 3.48Å; V184-A215 HydrophobicContact CG2-CB 4.2Å; N211-A215 VanDerWaalsContact O-CB 3.31Å; N211-A215 WeakPolarHBondContact O-CB 3.37Å; N211-A215 PolarHBondContact O-N 3.03Å; L212-A215 PolarHBondContact O-N 3.33Å; A215-S217 PolarHBondContact O-N 3.24Å; A215-C218 WeakPolarHBondContact O-CB 3.29Å; A215-C218 PolarHBondContact O-N 3.44Å; A215-F219 WeakPolarHBondContact O-CD2 3.47Å
216V62.4Low61.1Low29 Ų2953.9 Ų53.918%0.17630%0.303CS..Hα-helixtrans-64.7-31.6-179.1169.20000111.1L212 C218 F219 A227L212-V216 HydrophobicContact CD1-CG2 3.61Å; L212-V216 HydrophobicContact CD2-CG2 4.43Å; L212-V216 HydrophobicContact CG-CG2 3.62Å; L212-V216 VanDerWaalsContact O-CB 3.27Å; L212-V216 WeakPolarHBondContact O-CB 3.5Å; L212-V216 WeakPolarHBondContact O-CG2 3.47Å; L212-V216 PolarHBondContact O-N 3.3Å; V216-C218 PolarHBondContact O-N 3.11Å; V216-C218 VanDerWaalsContact O-N 3.12Å; V216-F219 PolarHBondContact O-N 2.9Å; V216-F219 VanDerWaalsContact O-N 3.14Å; V216-A227 HydrophobicContact CB-CB 4.13Å; V216-A227 HydrophobicContact CG1-CB 3.78Å; V216-A227 HydrophobicContact CG2-CB 3.96Å
217S61.8Low60.6Low76 Ų7654.7 Ų54.753%0.53131%0.31SS..THydrogen-bonded Turntrans-57.6-25.1172.476.30000113.2D214 A215D214-S217 PolarHBondContact O-OG 3.36Å; A215-S217 PolarHBondContact O-N 3.24Å
218C60.6Low60.4Low41 Ų4156.2 Ų56.228%0.27733%0.325SS..THydrogen-bonded Turntrans-85.5-14.9-177.3-53.80000113.4F27 L32 A215 V216F27-C218 WeakPolarHBondContact CE2-SG 3.31Å; L32-C218 PolarHBondContact O-SG 2.88Å; A215-C218 WeakPolarHBondContact O-CB 3.29Å; A215-C218 PolarHBondContact O-N 3.44Å; V216-C218 PolarHBondContact O-N 3.11Å; V216-C218 VanDerWaalsContact O-N 3.12Å
219F60.2Low60.4Low34 Ų3455.1 Ų55.115%0.14932%0.323CS..  trans-95.1103-178.8-68.7-81.6000110Y12 V184 A215 V216 W221 I223Y12-F219 AromaticContact CD1-CE1 3.93Å; Y12-F219 HydrophobicContact CD1-CE1 3.93Å; Y12-F219 HydrophobicContact CD1-CZ 4.31Å; Y12-F219 AromaticContact CE1-CE1 3.71Å; Y12-F219 HydrophobicContact CE1-CE1 3.71Å; Y12-F219 AromaticContact CE1-CZ 3.87Å; Y12-F219 HydrophobicContact CE1-CZ 3.87Å; V184-F219 HydrophobicContact CG1-CE1 4.4Å; V184-F219 HydrophobicContact CG1-CE2 3.67Å; V184-F219 HydrophobicContact CG1-CZ 3.27Å; A215-F219 WeakPolarHBondContact O-CD2 3.47Å; V216-F219 PolarHBondContact O-N 2.9Å; V216-F219 VanDerWaalsContact O-N 3.14Å; F219-W221 VanDerWaalsContact C-N 3.32Å; F219-I223 HydrophobicContact CB-CG1 4.37Å; F219-I223 HydrophobicContact CD1-CD1 3.92Å; F219-I223 HydrophobicContact CD1-CG1 4.21Å; F219-I223 HydrophobicContact CD2-CD1 4.34Å; F219-I223 HydrophobicContact CE1-CD1 3.97Å; F219-I223 HydrophobicContact CE2-CD1 4.39Å; F219-I223 HydrophobicContact CG-CD1 4.08Å; F219-I223 HydrophobicContact CG-CG1 4.25Å; F219-I223 HydrophobicContact CZ-CD1 4.17Å
220S56.3Low60.5Low96 Ų9652.3 Ų52.367%0.67131%0.311SS*.  trans-67.3-35.9172.652.70000111.8K224S220-K224 VanDerWaalsContact O-CE 3.29Å; S220-K224 WeakPolarHBondContact O-CE 3.2Å
221W51Low60.7Low167 Ų16751.8 Ų51.863%0.63330%0.302SS*.SBendtrans-160.7151-178.6-90.778.5000108.2F219F219-W221 VanDerWaalsContact C-N 3.32Å
222P52.3Low61Low50 Ų5057.5 Ų57.533%0.32533%0.325SS..SBendcis-114.430.50.440.1-29.4000112.9F259P222-F259 HydrophobicContact CB-CE2 3.55Å; P222-F259 HydrophobicContact CB-CZ 3.32Å; P222-F259 HydrophobicContact CG-CD2 4.48Å; P222-F259 HydrophobicContact CG-CE1 4.33Å; P222-F259 HydrophobicContact CG-CE2 3.2Å; P222-F259 HydrophobicContact CG-CZ 3.1Å
223I58.8Low61.1Low10 Ų1060.2 Ų60.25%0.05134%0.337CS..  trans-106.530.2179.64.1179.2000112.8L204 F219 G225 L226 I265L204-I223 HydrophobicContact CD1-CG2 4.36Å; F219-I223 HydrophobicContact CB-CG1 4.37Å; F219-I223 HydrophobicContact CD1-CD1 3.92Å; F219-I223 HydrophobicContact CD1-CG1 4.21Å; F219-I223 HydrophobicContact CD2-CD1 4.34Å; F219-I223 HydrophobicContact CE1-CD1 3.97Å; F219-I223 HydrophobicContact CE2-CD1 4.39Å; F219-I223 HydrophobicContact CG-CD1 4.08Å; F219-I223 HydrophobicContact CG-CG1 4.25Å; F219-I223 HydrophobicContact CZ-CD1 4.17Å; I223-G225 PolarHBondContact O-N 2.74Å; I223-L226 HydrophobicContact CB-CB 3.69Å; I223-L226 HydrophobicContact CB-CD2 4.06Å; I223-L226 HydrophobicContact CB-CG 4.36Å; I223-L226 HydrophobicContact CD1-CD2 3.94Å; I223-L226 HydrophobicContact CG2-CB 3.51Å; I223-L226 HydrophobicContact CG2-CD1 3.83Å; I223-L226 HydrophobicContact CG2-CD2 3.79Å; I223-L226 HydrophobicContact CG2-CG 3.87Å; I223-L226 WeakPolarHBondContact O-CB 3.46Å; I223-L226 PolarHBondContact O-N 3.45Å; I223-I265 HydrophobicContact CG2-CD1 3.27Å; I223-I265 HydrophobicContact CG2-CG1 4.2Å
224K53Low60.9Low160 Ų16056.2 Ų56.270%0.69632%0.316SS*.THydrogen-bonded Turntrans-57.6123.1165.9-74.2-172.5179.2-179.30108.2S220S220-K224 VanDerWaalsContact O-CE 3.29Å; S220-K224 WeakPolarHBondContact O-CE 3.2Å
225G59Low60.7Low45 Ų4555.6 Ų55.646%0.46432%0.316SS..THydrogen-bonded Turntrans92-7.9-173.300000115I223 A227 A228 A229I223-G225 PolarHBondContact O-N 2.74Å; G225-A227 PolarHBondContact O-N 3.15Å; G225-A228 PolarHBondContact O-N 3.38Å; G225-A229 VanDerWaalsContact O-CB 3.22Å; G225-A229 WeakPolarHBondContact O-CB 3.26Å; G225-A229 PolarHBondContact O-N 2.78Å
226L65.5Low60.4Low3 Ų358.5 Ų58.52%0.01634%0.34CS..Hα-helixtrans-59.1-46.8174.2-172.668.6000111.3P185 L204 L212 I223 A228 A229 V230 I265 M268P185-L226 HydrophobicContact CB-CD2 4.16Å; P185-L226 HydrophobicContact CG-CD2 3.86Å; L204-L226 HydrophobicContact CD1-CD1 3.71Å; L212-L226 HydrophobicContact CD1-CD2 4.08Å; I223-L226 HydrophobicContact CB-CB 3.69Å; I223-L226 HydrophobicContact CB-CD2 4.06Å; I223-L226 HydrophobicContact CB-CG 4.36Å; I223-L226 HydrophobicContact CD1-CD2 3.94Å; I223-L226 HydrophobicContact CG2-CB 3.51Å; I223-L226 HydrophobicContact CG2-CD1 3.83Å; I223-L226 HydrophobicContact CG2-CD2 3.79Å; I223-L226 HydrophobicContact CG2-CG 3.87Å; I223-L226 WeakPolarHBondContact O-CB 3.46Å; I223-L226 PolarHBondContact O-N 3.45Å; L226-A228 VanDerWaalsContact C-N 3.33Å; L226-A228 PolarHBondContact O-N 3.3Å; L226-A229 PolarHBondContact O-N 2.83Å; L226-V230 HydrophobicContact CD1-CG2 3.84Å; L226-V230 HydrophobicContact CG-CG2 3.91Å; L226-V230 VanDerWaalsContact O-CB 3.31Å; L226-V230 WeakPolarHBondContact O-CB 3.36Å; L226-V230 WeakPolarHBondContact O-CG2 3.47Å; L226-V230 PolarHBondContact O-N 3.35Å; L226-I265 HydrophobicContact CD1-CD1 4.31Å; L226-M268 HydrophobicContact CD1-SD 4.14Å
227A63.4Low59.8Low21 Ų2159.7 Ų59.717%0.17435%0.353CS..Hα-helixtrans-51.5-56.8174.100000109.6V216 G225 A229 V230 T231V216-A227 HydrophobicContact CB-CB 4.13Å; V216-A227 HydrophobicContact CG1-CB 3.78Å; V216-A227 HydrophobicContact CG2-CB 3.96Å; G225-A227 PolarHBondContact O-N 3.15Å; A227-A229 PolarHBondContact O-N 3.01Å; A227-V230 PolarHBondContact O-N 3.15Å; A227-T231 WeakPolarHBondContact O-CB 3.46Å; A227-T231 PolarHBondContact O-N 2.92Å; A227-T231 PolarHBondContact O-OG1 3.17Å
228A64.9Low59.2Low53 Ų5361.8 Ų61.844%0.43835%0.354SS..Hα-helixtrans-59.7-41.1-179.200000113.5G225 L226 T231 K232G225-A228 PolarHBondContact O-N 3.38Å; L226-A228 VanDerWaalsContact C-N 3.33Å; L226-A228 PolarHBondContact O-N 3.3Å; A228-T231 PolarHBondContact O-N 3.4Å; A228-K232 WeakPolarHBondContact O-CB 3.31Å; A228-K232 VanDerWaalsContact O-CG 3.27Å; A228-K232 WeakPolarHBondContact O-CG 3.43Å; A228-K232 PolarHBondContact O-N 2.96Å
229A64.2Low58.5Low32 Ų3270.5 Ų70.526%0.26438%0.381SS..Hα-helixtrans-72.3-38.9-177.900000111.5G225 L226 A227 K233 M268G225-A229 VanDerWaalsContact O-CB 3.22Å; G225-A229 WeakPolarHBondContact O-CB 3.26Å; G225-A229 PolarHBondContact O-N 2.78Å; L226-A229 PolarHBondContact O-N 2.83Å; A227-A229 PolarHBondContact O-N 3.01Å; A229-K233 WeakPolarHBondContact O-CG 3.43Å; A229-K233 PolarHBondContact O-N 3.02Å; A229-M268 HydrophobicContact CB-CE 3.34Å; A229-M268 HydrophobicContact CB-SD 4.2Å
230V64.7Low58Low1 Ų174.1 Ų74.11%0.00641%0.405CS..Hα-helixtrans-67.8-46.3171.9-178.80000109.3V206 F209 L212 L226 A227 K232 K233 T234 F255 M268V206-V230 HydrophobicContact CG2-CG2 4.23Å; F209-V230 HydrophobicContact CD2-CB 4.35Å; F209-V230 HydrophobicContact CD2-CG1 3.44Å; F209-V230 VanDerWaalsContact CD2-CG1 3.44Å; F209-V230 HydrophobicContact CE2-CB 3.97Å; F209-V230 HydrophobicContact CE2-CG1 3.54Å; L212-V230 HydrophobicContact CD2-CB 3.57Å; L212-V230 HydrophobicContact CD2-CG1 3.71Å; L212-V230 HydrophobicContact CD2-CG2 3.85Å; L226-V230 HydrophobicContact CD1-CG2 3.84Å; L226-V230 HydrophobicContact CG-CG2 3.91Å; L226-V230 VanDerWaalsContact O-CB 3.31Å; L226-V230 WeakPolarHBondContact O-CB 3.36Å; L226-V230 WeakPolarHBondContact O-CG2 3.47Å; L226-V230 PolarHBondContact O-N 3.35Å; A227-V230 PolarHBondContact O-N 3.15Å; V230-K232 VanDerWaalsContact C-N 3.31Å; V230-K232 PolarHBondContact O-N 3.48Å; V230-K233 PolarHBondContact O-N 3.32Å; V230-T234 HydrophobicContact CG1-CG2 3.87Å; V230-T234 PolarHBondContact O-N 3.23Å; V230-T234 PolarHBondContact O-OG1 3.01Å; V230-F255 HydrophobicContact CB-CZ 4.32Å; V230-F255 HydrophobicContact CG1-CE2 4.22Å; V230-F255 HydrophobicContact CG1-CZ 3.88Å; V230-F255 HydrophobicContact CG2-CE2 3.87Å; V230-F255 HydrophobicContact CG2-CZ 3.91Å; V230-M268 HydrophobicContact CG2-CE 4.45Å
231T65.6Low57.2Low50 Ų5079.3 Ų79.331%0.30741%0.411SS..Hα-helixtrans-53.8-48.2175.8-480000111F209 A227 A228 K233 T234 T235F209-T231 HydrophobicContact CZ-CG2 4.1Å; F209-T231 VanDerWaalsContact CZ-OG1 3.28Å; F209-T231 WeakPolarHBondContact CZ-OG1 3.47Å; A227-T231 WeakPolarHBondContact O-CB 3.46Å; A227-T231 PolarHBondContact O-N 2.92Å; A227-T231 PolarHBondContact O-OG1 3.17Å; A228-T231 PolarHBondContact O-N 3.4Å; T231-K233 VanDerWaalsContact C-N 3.27Å; T231-K233 PolarHBondContact O-N 2.76Å; T231-T234 WeakPolarHBondContact CA-OG1 3.48Å; T231-T234 PolarHBondContact O-OG1 3.28Å; T231-T235 HydrophobicContact CG2-CG2 4.13Å; T231-T235 VanDerWaalsContact O-CB 3.31Å; T231-T235 WeakPolarHBondContact O-CB 3.24Å; T231-T235 VanDerWaalsContact O-CG2 3.25Å; T231-T235 WeakPolarHBondContact O-CG2 3.21Å; T231-T235 PolarHBondContact O-N 3.16Å; T231-T235 PolarHBondContact O-OG1 2.78Å
232K65.8Low56.4Low159 Ų15977.7 Ų77.769%0.69142%0.422SS*.Hα-helixtrans-59.6-37.8179.3-79177.5-179.4-175.80112A228 V230 T235 A236A228-K232 WeakPolarHBondContact O-CB 3.31Å; A228-K232 VanDerWaalsContact O-CG 3.27Å; A228-K232 WeakPolarHBondContact O-CG 3.43Å; A228-K232 PolarHBondContact O-N 2.96Å; V230-K232 VanDerWaalsContact C-N 3.31Å; V230-K232 PolarHBondContact O-N 3.48Å; K232-T235 PolarHBondContact O-OG1 3.07Å; K232-A236 WeakPolarHBondContact O-CB 3.46Å; K232-A236 PolarHBondContact O-N 3.43Å
233K63.7Low55.8Low58 Ų5878.3 Ų78.325%0.25244%0.437SS..Hα-helixtrans-85.1-34-178.2-69-166-176.6-1780114.1A229 V230 T231 A236 A237 F255 M268 A270A229-K233 WeakPolarHBondContact O-CG 3.43Å; A229-K233 PolarHBondContact O-N 3.02Å; V230-K233 PolarHBondContact O-N 3.32Å; T231-K233 VanDerWaalsContact C-N 3.27Å; T231-K233 PolarHBondContact O-N 2.76Å; K233-A236 PolarHBondContact O-N 3.21Å; K233-A237 PolarHBondContact O-N 3.45Å; K233-A237 VanDerWaalsContact O-N 3.11Å; K233-F255 HydrophobicContact CB-CE1 4.15Å; K233-F255 HydrophobicContact CD-CD1 4.13Å; K233-F255 HydrophobicContact CD-CE1 3.84Å; K233-M268 HydrophobicContact CD-CE 3.96Å; K233-M268 PolarHBondContact NZ-O 3.01Å; K233-A270 HydrophobicContact CD-CB 3.58Å
234T60.4Low54.7Low21 Ų2185.4 Ų85.413%0.12948%0.475CS..Hα-helixtrans-71.1-40.9174.248.20000111.3F209 V230 T231 A236 A237 E238F209-T234 HydrophobicContact CD2-CG2 4.1Å; F209-T234 HydrophobicContact CG-CG2 4.48Å; V230-T234 HydrophobicContact CG1-CG2 3.87Å; V230-T234 PolarHBondContact O-N 3.23Å; V230-T234 PolarHBondContact O-OG1 3.01Å; T231-T234 WeakPolarHBondContact CA-OG1 3.48Å; T231-T234 PolarHBondContact O-OG1 3.28Å; T234-A236 VanDerWaalsContact C-N 3.27Å; T234-A236 PolarHBondContact O-N 3.33Å; T234-A237 PolarHBondContact O-N 2.84Å; T234-A237 VanDerWaalsContact O-N 3.08Å; T234-E238 PolarHBondContact O-N 3.09Å
235T59.3Low54Low62 Ų6283 Ų8338%0.3848%0.478SS..Hα-helixtrans-64.1-32173.453.50000112.5T231 K232 R239T231-T235 HydrophobicContact CG2-CG2 4.13Å; T231-T235 VanDerWaalsContact O-CB 3.31Å; T231-T235 WeakPolarHBondContact O-CB 3.24Å; T231-T235 VanDerWaalsContact O-CG2 3.25Å; T231-T235 WeakPolarHBondContact O-CG2 3.21Å; T231-T235 PolarHBondContact O-N 3.16Å; T231-T235 PolarHBondContact O-OG1 2.78Å; K232-T235 PolarHBondContact O-OG1 3.07Å; T235-R239 PolarHBondContact O-N 2.73Å
236A55.1Low52.8Low61 Ų6186.5 Ų86.550%0.50450%0.502SS..Hα-helixtrans-66.3-38.3170.900000112.3K232 K233 T234K232-A236 WeakPolarHBondContact O-CB 3.46Å; K232-A236 PolarHBondContact O-N 3.43Å; K233-A236 PolarHBondContact O-N 3.21Å; T234-A236 VanDerWaalsContact C-N 3.27Å; T234-A236 PolarHBondContact O-N 3.33Å
237A49.6Very low51.5Low54 Ų5496.6 Ų96.645%0.44654%0.54SS..Hα-helixtrans-74.3-34.1177.500000113.6K233 T234 V240K233-A237 PolarHBondContact O-N 3.45Å; K233-A237 VanDerWaalsContact O-N 3.11Å; T234-A237 PolarHBondContact O-N 2.84Å; T234-A237 VanDerWaalsContact O-N 3.08Å; A237-V240 PolarHBondContact O-N 2.67Å
238E49.6Very low50.7Low119 Ų119101.2 Ų101.256%0.55657%0.571SS**Hα-helixtrans-73.5-27.5-179.2-93.1171.2169.200113.9T234 V240 R241 R251T234-E238 PolarHBondContact O-N 3.09Å; E238-V240 PolarHBondContact O-N 3.28Å; E238-V240 VanDerWaalsContact O-N 3.07Å; E238-R241 PolarHBondContact O-N 3.5Å; E238-R251 IonicContact OE1-NH1 3.46Å; E238-R251 PolarHBondContact OE1-NH1 3.35Å
239R46.4Very low50.1Low224 Ų224105 Ų10585%0.84558%0.583SS**THydrogen-bonded Turntrans-63.9-11.7173.8-75.4-175.2-166.1-176.74.3113.8T235T235-R239 PolarHBondContact O-N 2.73Å
240V48.6Very low49.9Very low110 Ų110109.4 Ų109.467%0.66760%0.599SS**THydrogen-bonded Turntrans-94.7-9.5-175.8-176.10000113.1A237 E238A237-V240 PolarHBondContact O-N 2.67Å; E238-V240 PolarHBondContact O-N 3.28Å; E238-V240 VanDerWaalsContact O-N 3.07Å
241R40.9Very low50Low206 Ų206117.3 Ų117.378%0.77763%0.628SS**  trans-141103.1-176.9-60.8-170.8-160.2-164.86.6114.5E238E238-R241 PolarHBondContact O-N 3.5Å
242P33Very low50.2Low133 Ų133118 Ų11886%0.86463%0.632SS**  trans-91.2110.5157.932.4-21.7000108.5
243G39.3Very low50.4Low62 Ų62112 Ų11264%0.63961%0.61SS**  trans163.9111172.400000116
244N37.3Very low51Low160 Ų160115.7 Ų115.786%0.85662%0.622SS**  trans86.5107.5148.8-56.7-16.4000119.6
245S37.6Very low51.7Low110 Ų110114.7 Ų114.777%0.76962%0.616SS**  trans62106.1151.769.90000118.2R247S245-R247 PolarHBondContact O-N 3.11Å
246A33.6Very low52.6Low117 Ų117113 Ų11397%0.96761%0.606SS**  trans-68.173.4166.100000111.6
247R38.4Very low53.7Low216 Ų216110 Ų11082%0.81558%0.582SS**  trans-91.7133.4145.2-93.3-179.2173.9178.4-0.7106S245 L249S245-R247 PolarHBondContact O-N 3.11Å; R247-L249 HydrophobicContact CB-CD1 4.34Å; R247-L249 PolarHBondContact O-N 3.31Å
248S46.3Very low54.9Low118 Ų118109.2 Ų109.283%0.82557%0.57SS**  trans-63.770.2174.663.60000110.3Q250S248-Q250 PolarHBondContact O-N 3.04Å
249L52.8Low56.1Low132 Ų132105 Ų10569%0.69155%0.549SS*.  trans-60.4123.1165.8-103.386.2000105.6R247 R251R247-L249 HydrophobicContact CB-CD1 4.34Å; R247-L249 PolarHBondContact O-N 3.31Å; L249-R251 PolarHBondContact O-N 3.04Å
250Q60.2Low57.3Low125 Ų12595 Ų9558%0.58451%0.514SS*.  trans-60.791.1167.9-75.8179.5-36.700107.9S248 T252S248-Q250 PolarHBondContact O-N 3.04Å; Q250-T252 PolarHBondContact O-N 3.25Å
251R66.1Low58Low166 Ų16698.9 Ų98.963%0.62652%0.518SS*.  trans-72.7121.1173-71.8-174.9177.9173.6-0.5107.5N208 E238 L249N208-R251 PolarHBondContact N-O 3.44Å; E238-R251 IonicContact OE1-NH1 3.46Å; E238-R251 PolarHBondContact OE1-NH1 3.35Å; L249-R251 PolarHBondContact O-N 3.04Å
252T70.4Confident59.1Low64 Ų6495 Ų9539%0.39351%0.513SS..EExtended strand (participates in β ladder)trans-107.4121.8176.3-56.90000107T205 V206 T207 Q250T205-T252 HydrophobicContact CG2-CG2 3.29Å; V206-T252 WeakPolarHBondContact O-CA 3.17Å; T207-T252 HydrophobicContact CG2-CG2 3.94Å; Q250-T252 PolarHBondContact O-N 3.25Å
253T70.3Confident60.4Low35 Ų3598.5 Ų98.522%0.21551%0.509CS..EExtended strand (participates in β ladder)trans-114.3132.1175.2-51.80000108.2V206 F255V206-T253 PolarHBondContact N-O 3Å; V206-T253 PolarHBondContact O-N 3.13Å; T253-F255 HydrophobicContact CG2-CD2 4.46Å; T253-F255 HydrophobicContact CG2-CE1 3.94Å; T253-F255 HydrophobicContact CG2-CE2 3.69Å; T253-F255 HydrophobicContact CG2-CZ 3.37Å
254R75.4Confident61.6Low135 Ų13595.7 Ų95.751%0.50948%0.48SS..EExtended strand (participates in β ladder)trans-102.8138.5177.6-69.7-179.5178.7163.23109.3L204 T205 H271L204-R254 CarbonylContact O-C 3.58Å; L204-R254 WeakPolarHBondContact O-CA 3.5Å; T205-R254 HydrophobicContact CG2-CG 4.33Å; R254-H271 HydrophobicContact CB-CB 4.48Å; R254-H271 PolarHBondContact N-O 2.66Å; R254-H271 PolarHBondContact O-N 3.16Å
255F75.6Confident62.8Low0 Ų090.3 Ų90.30%045%0.451CS..EExtended strand (participates in β ladder)trans-123.1126.3174.1-54.7-88.9000108.8F203 L204 V206 V230 K233 T253 M268 T269 A270F203-F255 CarbonylContact C-O 3.52Å; F203-F255 WeakPolarHBondContact CA-O 3.45Å; L204-F255 HydrophobicContact CB-CB 4.29Å; L204-F255 PolarHBondContact N-O 3.49Å; L204-F255 PolarHBondContact O-N 3.2Å; V206-F255 HydrophobicContact CB-CE2 4.11Å; V206-F255 HydrophobicContact CG2-CD2 4.03Å; V206-F255 HydrophobicContact CG2-CE2 3.75Å; V230-F255 HydrophobicContact CB-CZ 4.32Å; V230-F255 HydrophobicContact CG1-CE2 4.22Å; V230-F255 HydrophobicContact CG1-CZ 3.88Å; V230-F255 HydrophobicContact CG2-CE2 3.87Å; V230-F255 HydrophobicContact CG2-CZ 3.91Å; K233-F255 HydrophobicContact CB-CE1 4.15Å; K233-F255 HydrophobicContact CD-CD1 4.13Å; K233-F255 HydrophobicContact CD-CE1 3.84Å; T253-F255 HydrophobicContact CG2-CD2 4.46Å; T253-F255 HydrophobicContact CG2-CE1 3.94Å; T253-F255 HydrophobicContact CG2-CE2 3.69Å; T253-F255 HydrophobicContact CG2-CZ 3.37Å; F255-M268 HydrophobicContact CB-CG 3.79Å; F255-M268 HydrophobicContact CB-SD 4.05Å; F255-M268 HydrophobicContact CD1-CE 3.69Å; F255-M268 HydrophobicContact CD1-CG 4Å; F255-M268 HydrophobicContact CD1-SD 3.95Å; F255-M268 HydrophobicContact CE1-CE 3.93Å; F255-M268 HydrophobicContact CG-CE 4.3Å; F255-M268 HydrophobicContact CG-CG 4.19Å; F255-M268 HydrophobicContact CG-SD 4.01Å; F255-T269 CarbonylContact C-O 3.42Å; F255-T269 WeakPolarHBondContact CA-O 3.37Å; F255-T269 WeakPolarHBondContact CB-O 3.43Å; F255-A270 HydrophobicContact CD1-CB 3.64Å; F255-A270 HydrophobicContact CE1-CB 3.62Å
256S79Confident64.1Low25 Ų2587.7 Ų87.718%0.17543%0.43CS..EExtended strand (participates in β ladder)trans-82.3125.3163.8-179.10000107.4M268 T269 H271S256-M268 CarbonylContact O-C 3.6Å; S256-M268 WeakPolarHBondContact O-CA 3.41Å; S256-T269 WeakPolarHBondContact CB-OG1 3.3Å; S256-T269 PolarHBondContact N-O 2.85Å; S256-T269 PolarHBondContact O-N 3.32Å; S256-T269 PolarHBondContact O-OG1 3.36Å; S256-H271 VanDerWaalsContact CB-NE2 3.28Å; S256-H271 WeakPolarHBondContact CB-NE2 3.43Å
257C76.3Confident65.8Low0 Ų087.7 Ų87.70%041%0.41CS..EExtended strand (participates in β ladder)trans-126143-176.3-52.60000109.8S201 V202 L204 I265 E267 M268S201-C257 CarbonylContact C-O 3.57Å; S201-C257 VanDerWaalsContact CA-O 3.31Å; S201-C257 WeakPolarHBondContact CA-O 3.44Å; V202-C257 HydrophobicContact CG2-CB 3.8Å; V202-C257 PolarHBondContact N-O 3.05Å; V202-C257 PolarHBondContact O-N 3.15Å; L204-C257 HydrophobicContact CD1-CB 4.27Å; L204-C257 WeakPolarHBondContact CD1-SG 3.49Å; L204-C257 HydrophobicContact CG-CB 4.44Å; L204-C257 VanDerWaalsContact CG-SG 3.59Å; C257-I265 HydrophobicContact CB-CD1 4.45Å; C257-I265 HydrophobicContact CB-CG1 4.44Å; C257-I265 HydrophobicContact CB-CG2 4Å; C257-E267 CarbonylContact C-O 3.54Å; C257-E267 WeakPolarHBondContact CA-O 3.43Å; C257-M268 VanDerWaalsContact SG-CG 3.57Å
258I76.1Confident67.1Low37 Ų3778.9 Ų78.919%0.1938%0.379CS..EExtended strand (participates in β ladder)trans-95.5124166.2-57.6-176.5000107.2Q199 I265 T266 E267Q199-I258 HydrophobicContact CB-CG2 3.79Å; Q199-I258 HydrophobicContact CG-CG2 4.2Å; I258-I265 CarbonylContact O-C 3.58Å; I258-I265 WeakPolarHBondContact O-CA 3.19Å; I258-T266 WeakPolarHBondContact CG2-OG1 3.29Å; I258-T266 PolarHBondContact O-N 3.36Å; I258-T266 PolarHBondContact O-OG1 2.83Å; I258-E267 HydrophobicContact CB-CB 4.07Å; I258-E267 HydrophobicContact CD1-CB 4.07Å; I258-E267 HydrophobicContact CD1-CG 4.19Å; I258-E267 VanDerWaalsContact CD1-OE2 3.26Å; I258-E267 WeakPolarHBondContact CD1-OE2 3.22Å; I258-E267 HydrophobicContact CG1-CB 4.02Å; I258-E267 PolarHBondContact N-O 3.11Å
259F74.4Confident68.3Low30 Ų3076.7 Ų76.713%0.13236%0.36CS..EExtended strand (participates in β ladder)trans-109.7128.4-178.7-163.5-86.9000110Q199 F200 V202 P222 G264 I265Q199-F259 CarbonylContact C-O 3.55Å; Q199-F259 VanDerWaalsContact CA-O 3.27Å; Q199-F259 WeakPolarHBondContact CA-O 3.43Å; F200-F259 HydrophobicContact CD2-CB 4.18Å; F200-F259 HydrophobicContact CE1-CB 4.45Å; F200-F259 AromaticContact CE1-CD1 3.76Å; F200-F259 HydrophobicContact CE1-CD1 3.76Å; F200-F259 HydrophobicContact CE2-CB 3.85Å; F200-F259 AromaticContact CE2-CD1 3.99Å; F200-F259 HydrophobicContact CE2-CD1 3.99Å; F200-F259 HydrophobicContact CE2-CG 4.16Å; F200-F259 HydrophobicContact CZ-CB 4Å; F200-F259 AromaticContact CZ-CD1 3.33Å; F200-F259 HydrophobicContact CZ-CD1 3.33Å; F200-F259 HydrophobicContact CZ-CE1 4.18Å; F200-F259 AromaticContact CZ-CG 3.96Å; F200-F259 HydrophobicContact CZ-CG 3.96Å; F200-F259 PolarHBondContact N-O 3.31Å; F200-F259 PolarHBondContact O-N 2.83Å; V202-F259 HydrophobicContact CG1-CB 4.38Å; V202-F259 HydrophobicContact CG2-CB 4.33Å; P222-F259 HydrophobicContact CB-CE2 3.55Å; P222-F259 HydrophobicContact CB-CZ 3.32Å; P222-F259 HydrophobicContact CG-CD2 4.48Å; P222-F259 HydrophobicContact CG-CE1 4.33Å; P222-F259 HydrophobicContact CG-CE2 3.2Å; P222-F259 HydrophobicContact CG-CZ 3.1Å; F259-G264 VanDerWaalsContact CE2-CA 3.45Å; F259-I265 HydrophobicContact CD2-CG1 3.96Å; F259-I265 HydrophobicContact CE2-CG1 4.32Å
260S70.7Confident68.9Low14 Ų1472.5 Ų72.510%0.09835%0.345CS..EExtended strand (participates in β ladder)trans-112.2133.2173.6-1800000110.1D198 N262 R263 G264D198-S260 WeakPolarHBondContact O-CA 3.46Å; D198-S260 PolarHBondContact O-OG 3.23Å; S260-N262 PolarHBondContact O-N 3.19Å; S260-R263 PolarHBondContact O-N 3.12Å; S260-R263 VanDerWaalsContact O-N 3.13Å; S260-G264 PolarHBondContact N-O 3.34Å; S260-G264 PolarHBondContact O-N 3.43Å
261Y65.1Low69.3Low192 Ų19270.6 Ų70.675%0.75334%0.336SS*.THydrogen-bonded Turntrans-50.5-36.7-174.1-168.6-97.8000113.3
262N63.4Low68.9Low125 Ų12572.4 Ų72.467%0.66836%0.358SS*.THydrogen-bonded Turntrans-100.1-19.4-177.2-68.2-34.1000115S260S260-N262 PolarHBondContact O-N 3.19Å
263R60.4Low68.8Low205 Ų20572.8 Ų72.877%0.77436%0.356SS*.THydrogen-bonded Turntrans-112.3-9.4-172-62.4-175.2179.7-1781.6114.1S260 T266S260-R263 PolarHBondContact O-N 3.12Å; S260-R263 VanDerWaalsContact O-N 3.13Å; R263-T266 HydrophobicContact CB-CG2 4.1Å
264G65.2Low68.7Low4 Ų474.8 Ų74.84%0.04136%0.363CS..EExtended strand (participates in β ladder)trans76.2-145.5-172.700000111.6F259 S260 T266F259-G264 VanDerWaalsContact CE2-CA 3.45Å; S260-G264 PolarHBondContact N-O 3.34Å; S260-G264 PolarHBondContact O-N 3.43Å; G264-T266 PolarHBondContact O-N 3.15Å
265I61.4Low68.4Low46 Ų4671.4 Ų71.424%0.23636%0.355CS..EExtended strand (participates in β ladder)trans-71116.9176.2-60.6175.7000109.8L204 I223 L226 C257 I258 F259 E267 M268L204-I265 HydrophobicContact CD1-CD1 3.43Å; L204-I265 VanDerWaalsContact CD1-CD1 3.43Å; I223-I265 HydrophobicContact CG2-CD1 3.27Å; I223-I265 HydrophobicContact CG2-CG1 4.2Å; L226-I265 HydrophobicContact CD1-CD1 4.31Å; C257-I265 HydrophobicContact CB-CD1 4.45Å; C257-I265 HydrophobicContact CB-CG1 4.44Å; C257-I265 HydrophobicContact CB-CG2 4Å; I258-I265 CarbonylContact O-C 3.58Å; I258-I265 WeakPolarHBondContact O-CA 3.19Å; F259-I265 HydrophobicContact CD2-CG1 3.96Å; F259-I265 HydrophobicContact CE2-CG1 4.32Å; I265-E267 WeakPolarHBondContact CG2-O 3.44Å; I265-M268 HydrophobicContact CG2-CB 4.25Å
266T63.9Low67.9Low55 Ų5575.6 Ų75.634%0.33738%0.376SS..EExtended strand (participates in β ladder)trans-92.5-34.9176.551.90000112.3I258 R263 G264I258-T266 WeakPolarHBondContact CG2-OG1 3.29Å; I258-T266 PolarHBondContact O-N 3.36Å; I258-T266 PolarHBondContact O-OG1 2.83Å; R263-T266 HydrophobicContact CB-CG2 4.1Å; G264-T266 PolarHBondContact O-N 3.15Å
267E69.4Low67.2Low118 Ų11878.8 Ų78.855%0.55139%0.389SS*.EExtended strand (participates in β ladder)trans-135.7147.8176.8-64.4-174.6-173.700110.5C257 I258 I265C257-E267 CarbonylContact C-O 3.54Å; C257-E267 WeakPolarHBondContact CA-O 3.43Å; I258-E267 HydrophobicContact CB-CB 4.07Å; I258-E267 HydrophobicContact CD1-CB 4.07Å; I258-E267 HydrophobicContact CD1-CG 4.19Å; I258-E267 VanDerWaalsContact CD1-OE2 3.26Å; I258-E267 WeakPolarHBondContact CD1-OE2 3.22Å; I258-E267 HydrophobicContact CG1-CB 4.02Å; I258-E267 PolarHBondContact N-O 3.11Å; I265-E267 WeakPolarHBondContact CG2-O 3.44Å
268M67.7Low66.6Low31 Ų3184.1 Ų84.115%0.15342%0.415CS..EExtended strand (participates in β ladder)trans-142.3126.8175-171.9169.79200108.9L226 A229 V230 K233 F255 S256 C257 I265L226-M268 HydrophobicContact CD1-SD 4.14Å; A229-M268 HydrophobicContact CB-CE 3.34Å; A229-M268 HydrophobicContact CB-SD 4.2Å; V230-M268 HydrophobicContact CG2-CE 4.45Å; K233-M268 HydrophobicContact CD-CE 3.96Å; K233-M268 PolarHBondContact NZ-O 3.01Å; F255-M268 HydrophobicContact CB-CG 3.79Å; F255-M268 HydrophobicContact CB-SD 4.05Å; F255-M268 HydrophobicContact CD1-CE 3.69Å; F255-M268 HydrophobicContact CD1-CG 4Å; F255-M268 HydrophobicContact CD1-SD 3.95Å; F255-M268 HydrophobicContact CE1-CE 3.93Å; F255-M268 HydrophobicContact CG-CE 4.3Å; F255-M268 HydrophobicContact CG-CG 4.19Å; F255-M268 HydrophobicContact CG-SD 4.01Å; S256-M268 CarbonylContact O-C 3.6Å; S256-M268 WeakPolarHBondContact O-CA 3.41Å; C257-M268 VanDerWaalsContact SG-CG 3.57Å; I265-M268 HydrophobicContact CG2-CB 4.25Å
269T70.1Confident66Low71 Ų7187.4 Ų87.444%0.43643%0.431SS..EExtended strand (participates in β ladder)trans-117.1140.9170.254.20000108.6F255 S256F255-T269 CarbonylContact C-O 3.42Å; F255-T269 WeakPolarHBondContact CA-O 3.37Å; F255-T269 WeakPolarHBondContact CB-O 3.43Å; S256-T269 WeakPolarHBondContact CB-OG1 3.3Å; S256-T269 PolarHBondContact N-O 2.85Å; S256-T269 PolarHBondContact O-N 3.32Å; S256-T269 PolarHBondContact O-OG1 3.36Å
270A66.5Low65.3Low45 Ų4591.8 Ų91.837%0.37245%0.454SS..EExtended strand (participates in β ladder)trans-99.9143.5179.700000108.9K233 F255K233-A270 HydrophobicContact CD-CB 3.58Å; F255-A270 HydrophobicContact CD1-CB 3.64Å; F255-A270 HydrophobicContact CE1-CB 3.62Å
271H68.4Low64.9Low85 Ų8598.3 Ų98.339%0.39448%0.483SS..EExtended strand (participates in β ladder)trans-124.6131.5173.9-56.5-73.3000107.7R254 S256R254-H271 HydrophobicContact CB-CB 4.48Å; R254-H271 PolarHBondContact N-O 2.66Å; R254-H271 PolarHBondContact O-N 3.16Å; S256-H271 VanDerWaalsContact CB-NE2 3.28Å; S256-H271 WeakPolarHBondContact CB-NE2 3.43Å
272D56.7Low64.8Low203 Ų20389.8 Ų89.8100%1.08646%0.459SS*.  trans-71.70171.8-71.9-26.9000111.5

Retrieved 272 of 272 residues in 283.8 ms (Link to these results)

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