X6R9J3_HUMAN Loading...

Prune homolog 2 with BCH domain

AlphaFold DB , UniProt , Accession X6R9J3, Species HUMAN (Homo sapiens, Human), Gene PRUNE2, Length 298 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
1M86Confident93.3Very high27 Ų2751.8 Ų51.813%0.13324%0.242CC..  0-50.60-172.7-157.4-70.400112.1E3 F4 L5 F39 T40 L164M1-E3 PolarHBondContact O-N 2.9Å; M1-F4 WeakPolarHBondContact O-CA 3.43Å; M1-F4 VanDerWaalsContact O-CB 3.24Å; M1-F4 WeakPolarHBondContact O-CB 3.49Å; M1-F4 PolarHBondContact O-N 3.15Å; M1-L5 PolarHBondContact O-N 2.85Å; M1-L5 VanDerWaalsContact O-N 3.07Å; M1-F39 HydrophobicContact CE-CB 4.48Å; M1-F39 HydrophobicContact SD-CB 3.77Å; M1-T40 VanDerWaalsContact CE-OG1 3.26Å; M1-T40 WeakPolarHBondContact CE-OG1 3.38Å; M1-L164 HydrophobicContact CE-CD1 3.23Å
2E87.8Confident93.4Very high53 Ų5349.3 Ų49.325%0.24823%0.232CC..Hα-helixtrans-54.9-49.4-178.5-76.8164.5-134.300114.1F4 L5 Q6 R167E2-F4 PolarHBondContact O-N 3.36Å; E2-F4 VanDerWaalsContact O-N 3.15Å; E2-L5 WeakPolarHBondContact O-CB 3.47Å; E2-L5 PolarHBondContact O-N 3.42Å; E2-Q6 PolarHBondContact O-N 2.99Å; E2-R167 IonicContact OE1-CZ 3.17Å; E2-R167 IonicContact OE1-NH1 2.9Å; E2-R167 IonicContact OE1-NH2 3.8Å; E2-R167 PolarHBondContact OE1-NH2 3.38Å
3E92.2Very high93.4Very high136 Ų13654.2 Ų54.264%0.63626%0.26SS*.Hα-helixtrans-57.6-33176.7-59.2-175.3163.500112.1M1 R7M1-E3 PolarHBondContact O-N 2.9Å; E3-R7 VanDerWaalsContact CB-NH1 3.32Å; E3-R7 WeakPolarHBondContact O-CB 3.31Å; E3-R7 WeakPolarHBondContact O-CG 3.44Å; E3-R7 PolarHBondContact O-N 3.4Å; E3-R7 IonicContact OE2-NH1 2.64Å; E3-R7 PolarHBondContact OE2-NH1 2.9Å
4F95.1Very high93.2Very high2 Ų264.9 Ų64.91%0.00930%0.297CS..Hα-helixtrans-66-47.9174.4154.1-101000110.9M1 E2 Q6 R7 A8 A42 Y43 D46 P57M1-F4 WeakPolarHBondContact O-CA 3.43Å; M1-F4 VanDerWaalsContact O-CB 3.24Å; M1-F4 WeakPolarHBondContact O-CB 3.49Å; M1-F4 PolarHBondContact O-N 3.15Å; E2-F4 PolarHBondContact O-N 3.36Å; E2-F4 VanDerWaalsContact O-N 3.15Å; F4-Q6 VanDerWaalsContact C-N 3.31Å; F4-Q6 PolarHBondContact O-N 3.16Å; F4-R7 PolarHBondContact O-N 3.44Å; F4-R7 VanDerWaalsContact O-N 3.16Å; F4-A8 HydrophobicContact CE2-CB 4.1Å; F4-A8 HydrophobicContact CZ-CB 4.32Å; F4-A8 WeakPolarHBondContact O-CB 3.31Å; F4-A8 PolarHBondContact O-N 3.3Å; F4-A42 HydrophobicContact CE1-CB 3.94Å; F4-A42 VanDerWaalsContact CZ-C 3.49Å; F4-A42 HydrophobicContact CZ-CB 3.8Å; F4-A42 WeakPolarHBondContact CZ-O 3.46Å; F4-Y43 HydrophobicContact CB-CD2 3.79Å; F4-Y43 HydrophobicContact CB-CE2 4.46Å; F4-Y43 HydrophobicContact CD1-CD2 4.18Å; F4-Y43 HydrophobicContact CD1-CG 4.47Å; F4-Y43 AromaticContact CG-CD2 3.95Å; F4-Y43 HydrophobicContact CG-CD2 3.95Å; F4-D46 HydrophobicContact CD2-CB 3.64Å; F4-D46 VanDerWaalsContact CD2-CG 3.48Å; F4-D46 WeakPolarHBondContact CD2-OD2 3.21Å; F4-D46 HydrophobicContact CE2-CB 3.41Å; F4-D46 VanDerWaalsContact CE2-CB 3.41Å; F4-D46 HydrophobicContact CZ-CB 4.28Å; F4-P57 HydrophobicContact CE1-CG 4.12Å; F4-P57 HydrophobicContact CZ-CG 4.42Å
5L95.3Very high92.7Very high3 Ų364 Ų642%0.01630%0.301CS..Hα-helixtrans-57.4-46.2177.4-61.4176.4000111.1M1 E2 R7 A8 K9 F39 P57 I81 F85M1-L5 PolarHBondContact O-N 2.85Å; M1-L5 VanDerWaalsContact O-N 3.07Å; E2-L5 WeakPolarHBondContact O-CB 3.47Å; E2-L5 PolarHBondContact O-N 3.42Å; L5-R7 PolarHBondContact O-N 3.36Å; L5-A8 PolarHBondContact O-N 3.1Å; L5-K9 WeakPolarHBondContact O-CB 3.38Å; L5-K9 PolarHBondContact O-N 3.45Å; L5-F39 HydrophobicContact CD1-CD2 4.44Å; L5-F39 HydrophobicContact CD1-CG 4.38Å; L5-F39 HydrophobicContact CD2-CB 4.31Å; L5-F39 HydrophobicContact CD2-CD1 3.85Å; L5-F39 HydrophobicContact CD2-CE1 4.43Å; L5-F39 HydrophobicContact CD2-CG 4.16Å; L5-P57 HydrophobicContact CD2-CG 3.48Å; L5-P57 VanDerWaalsContact CD2-CG 3.48Å; L5-I81 HydrophobicContact CD1-CG2 3.99Å; L5-F85 HydrophobicContact CB-CB 3.83Å
6Q95.3Very high91.8Very high96 Ų9673.1 Ų73.145%0.44934%0.339SS..Hα-helixtrans-60.9-45.2176.6-174.1-175.913.100112E2 F4 S10 F85E2-Q6 PolarHBondContact O-N 2.99Å; F4-Q6 VanDerWaalsContact C-N 3.31Å; F4-Q6 PolarHBondContact O-N 3.16Å; Q6-S10 VanDerWaalsContact O-CB 3.25Å; Q6-S10 WeakPolarHBondContact O-CB 3.24Å; Q6-S10 PolarHBondContact O-N 3.09Å; Q6-S10 PolarHBondContact O-OG 3.22Å; Q6-F85 HydrophobicContact CB-CD1 3.92Å; Q6-F85 HydrophobicContact CB-CD2 4.42Å; Q6-F85 HydrophobicContact CB-CE1 3.99Å; Q6-F85 HydrophobicContact CB-CE2 4.46Å; Q6-F85 HydrophobicContact CB-CG 4.15Å; Q6-F85 HydrophobicContact CB-CZ 4.26Å; Q6-F85 HydrophobicContact CG-CD1 3.98Å; Q6-F85 HydrophobicContact CG-CE1 3.69Å; Q6-F85 HydrophobicContact CG-CZ 4.17Å
7R95.3Very high91.2Very high89 Ų8981.8 Ų81.834%0.33637%0.368SS..Hα-helixtrans-64.8-43.3177.1-76.6-170.2-50.1-95.81.1111.9E3 F4 L5 S10 K11E3-R7 VanDerWaalsContact CB-NH1 3.32Å; E3-R7 WeakPolarHBondContact O-CB 3.31Å; E3-R7 WeakPolarHBondContact O-CG 3.44Å; E3-R7 PolarHBondContact O-N 3.4Å; E3-R7 IonicContact OE2-NH1 2.64Å; E3-R7 PolarHBondContact OE2-NH1 2.9Å; F4-R7 PolarHBondContact O-N 3.44Å; F4-R7 VanDerWaalsContact O-N 3.16Å; L5-R7 PolarHBondContact O-N 3.36Å; R7-S10 PolarHBondContact O-N 3.42Å; R7-K11 WeakPolarHBondContact O-CB 3.39Å; R7-K11 WeakPolarHBondContact O-CG 3.36Å; R7-K11 PolarHBondContact O-N 3.07Å
8A95.7Very high91Very high4 Ų478.8 Ų78.83%0.03336%0.356CS..Hα-helixtrans-60.3-50.8178.400000110.6F4 L5 S10 K11 L12 L56F4-A8 HydrophobicContact CE2-CB 4.1Å; F4-A8 HydrophobicContact CZ-CB 4.32Å; F4-A8 WeakPolarHBondContact O-CB 3.31Å; F4-A8 PolarHBondContact O-N 3.3Å; L5-A8 PolarHBondContact O-N 3.1Å; A8-S10 VanDerWaalsContact C-N 3.35Å; A8-S10 PolarHBondContact O-N 2.84Å; A8-K11 PolarHBondContact O-N 3.41Å; A8-L12 PolarHBondContact O-N 3.21Å; A8-L56 HydrophobicContact CB-CD2 3.93Å
9K95.4Very high90.8Very high18 Ų1882.7 Ų82.78%0.07838%0.375CS..Hα-helixtrans-59.3-43.9175.2-174.964.7172.7172.60112.2L5 L12 N13 I87 E91L5-K9 WeakPolarHBondContact O-CB 3.38Å; L5-K9 PolarHBondContact O-N 3.45Å; K9-L12 PolarHBondContact O-N 3.19Å; K9-N13 VanDerWaalsContact O-CG 3.3Å; K9-N13 PolarHBondContact O-N 3.3Å; K9-I87 HydrophobicContact CB-CG1 4.41Å; K9-I87 HydrophobicContact CD-CG1 3.64Å; K9-E91 IonicContact NZ-OE1 3.7Å; K9-E91 PolarHBondContact NZ-OE1 3.15Å; K9-E91 IonicContact NZ-OE2 3.27Å; K9-E91 PolarHBondContact NZ-OE2 2.85Å
10S94.8Very high91.1Very high42 Ų4285.4 Ų85.429%0.29439%0.386SS..Hα-helixtrans-63.8-42.2178.3-630000112.4Q6 R7 A8 N13 R14Q6-S10 VanDerWaalsContact O-CB 3.25Å; Q6-S10 WeakPolarHBondContact O-CB 3.24Å; Q6-S10 PolarHBondContact O-N 3.09Å; Q6-S10 PolarHBondContact O-OG 3.22Å; R7-S10 PolarHBondContact O-N 3.42Å; A8-S10 VanDerWaalsContact C-N 3.35Å; A8-S10 PolarHBondContact O-N 2.84Å; S10-N13 PolarHBondContact O-N 2.67Å; S10-R14 WeakPolarHBondContact O-CB 3.24Å; S10-R14 VanDerWaalsContact O-CG 3.3Å; S10-R14 WeakPolarHBondContact O-CG 3.38Å; S10-R14 PolarHBondContact O-N 3.29Å
11K93.9Very high91.4Very high100 Ų10081.4 Ų81.444%0.43537%0.367SS..Hα-helixtrans-64.8-43.7176.3-76.6179.3-177.9178.10110.9R7 A8 N13 R14 S15 L54R7-K11 WeakPolarHBondContact O-CB 3.39Å; R7-K11 WeakPolarHBondContact O-CG 3.36Å; R7-K11 PolarHBondContact O-N 3.07Å; A8-K11 PolarHBondContact O-N 3.41Å; K11-N13 PolarHBondContact O-N 2.87Å; K11-R14 PolarHBondContact O-N 3.27Å; K11-S15 WeakPolarHBondContact O-CB 3.42Å; K11-S15 PolarHBondContact O-N 3.47Å; K11-S15 PolarHBondContact O-OG 2.67Å; K11-L54 HydrophobicContact CB-CD1 3.85Å; K11-L54 HydrophobicContact CB-CD2 4.48Å; K11-L54 HydrophobicContact CD-CD1 3.68Å; K11-L54 HydrophobicContact CG-CD1 4.44Å
12L94.6Very high92Very high22 Ų2281.2 Ų81.212%0.11537%0.366CS..Hα-helixtrans-56.9-49.5175.4179.662.9000111.2A8 K9 R14 L18 L56 I87 I92A8-L12 PolarHBondContact O-N 3.21Å; K9-L12 PolarHBondContact O-N 3.19Å; L12-R14 PolarHBondContact O-N 3.02Å; L12-L18 HydrophobicContact CD1-CD1 3.97Å; L12-L56 HydrophobicContact CD1-CD1 4.06Å; L12-L56 HydrophobicContact CD2-CD1 4.48Å; L12-I87 HydrophobicContact CD2-CB 4.45Å; L12-I87 HydrophobicContact CD2-CD1 3.96Å; L12-I87 HydrophobicContact CD2-CG1 4.03Å; L12-I87 HydrophobicContact CD2-CG2 3.56Å; L12-I92 HydrophobicContact CD1-CD1 4.27Å; L12-I92 HydrophobicContact CD1-CG1 4.45Å
13N92.3Very high92.5Very high112 Ų11278.7 Ų78.760%0.59935%0.354SS*.Hα-helixtrans-68.3-31.7-177.4-69.7-9.8000114.1K9 S10 K11K9-N13 VanDerWaalsContact O-CG 3.3Å; K9-N13 PolarHBondContact O-N 3.3Å; S10-N13 PolarHBondContact O-N 2.67Å; K11-N13 PolarHBondContact O-N 2.87Å
14R91.2Very high92.8Very high205 Ų20572.2 Ų72.277%0.77432%0.324SS*.Hα-helixtrans-88.5-22.8-176.8-70.6177.8-179.6175.11.7113.4S10 K11 L12 K16S10-R14 WeakPolarHBondContact O-CB 3.24Å; S10-R14 VanDerWaalsContact O-CG 3.3Å; S10-R14 WeakPolarHBondContact O-CG 3.38Å; S10-R14 PolarHBondContact O-N 3.29Å; K11-R14 PolarHBondContact O-N 3.27Å; L12-R14 PolarHBondContact O-N 3.02Å; R14-K16 PolarHBondContact O-N 3.5Å
15S86.2Confident92.9Very high51 Ų5172.2 Ų72.236%0.35732%0.324SS..  trans-79.2112.2-172.3-62.20000110.8K11 R17K11-S15 WeakPolarHBondContact O-CB 3.42Å; K11-S15 PolarHBondContact O-N 3.47Å; K11-S15 PolarHBondContact O-OG 2.67Å; S15-R17 VanDerWaalsContact C-N 3.26Å; S15-R17 PolarHBondContact O-N 3.47Å
16K77.9Confident92.8Very high210 Ų21072.5 Ų72.591%0.91333%0.328SS*.SBendtrans-69.6-26.1173.2-64.7-174.4179.9-177.80112.7R14R14-K16 PolarHBondContact O-N 3.5Å
17R81.4Confident92.7Very high220 Ų22069.1 Ų69.183%0.8331%0.314SS*.SBendtrans-141.2129.6175.2-69.4-173.3179.1-166.5-1.6108.2S15S15-R17 VanDerWaalsContact C-N 3.26Å; S15-R17 PolarHBondContact O-N 3.47Å
18L87.2Confident92.4Very high29 Ų2969.6 Ų69.615%0.15232%0.319CS..  trans-93140.3170.1-61.5174.2000108L12 V21 L54 L97 K102L12-L18 HydrophobicContact CD1-CD1 3.97Å; L18-V21 HydrophobicContact CB-CG2 3.64Å; L18-V21 HydrophobicContact CD1-CG2 3.87Å; L18-V21 HydrophobicContact CG-CG2 4.22Å; L18-L54 HydrophobicContact CD2-CD2 3.54Å; L18-L97 HydrophobicContact CB-CD2 4.11Å; L18-L97 HydrophobicContact CD1-CD1 4.44Å; L18-L97 HydrophobicContact CD1-CD2 4.15Å; L18-K102 VanDerWaalsContact O-CD 3.24Å; L18-K102 WeakPolarHBondContact O-CD 3.47Å; L18-K102 WeakPolarHBondContact O-CE 3.26Å; L18-K102 PolarHBondContact O-NZ 2.93Å
19E88.6Confident92Very high153 Ų15372.4 Ų72.472%0.71534%0.338SS*.SBendtrans-95.7-65.8178.7-70.5-169.517900111.5K102E19-K102 VanDerWaalsContact O-CB 3.24Å; E19-K102 WeakPolarHBondContact O-CB 3.43Å; E19-K102 VanDerWaalsContact O-CD 3.26Å; E19-K102 WeakPolarHBondContact O-CD 3.07Å; E19-K102 WeakPolarHBondContact O-CG 3.47Å
20K96.1Very high91.7Very high136 Ų13671.6 Ų71.659%0.59134%0.335SS*.EExtended strand (participates in β ladder)trans-127.4131.5173.4-67.9-176.2179.7-178.90109V53 L54K20-V53 HydrophobicContact CB-CG2 4.22Å; K20-V53 HydrophobicContact CD-CG2 4.35Å; K20-L54 PolarHBondContact O-N 3.48Å
21V97.9Very high91.4Very high1 Ų171.4 Ų71.41%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-128.4123-176.9-1710000108.8L18 V23 L54 L56 I92 L97 K102 S104L18-V21 HydrophobicContact CB-CG2 3.64Å; L18-V21 HydrophobicContact CD1-CG2 3.87Å; L18-V21 HydrophobicContact CG-CG2 4.22Å; V21-V23 HydrophobicContact CG1-CG2 3.92Å; V21-L54 CarbonylContact C-O 3.52Å; V21-L54 WeakPolarHBondContact CA-O 3.08Å; V21-L56 HydrophobicContact CG1-CD1 3.7Å; V21-L56 HydrophobicContact CG1-CG 4.17Å; V21-I92 HydrophobicContact CG1-CD1 4.4Å; V21-L97 HydrophobicContact CB-CD1 4.22Å; V21-L97 HydrophobicContact CG1-CD1 4.28Å; V21-L97 HydrophobicContact CG2-CD1 4.1Å; V21-L97 HydrophobicContact CG2-CD2 4.01Å; V21-K102 PolarHBondContact N-O 2.92Å; V21-S104 PolarHBondContact O-N 2.93Å
22H98.6Very high91.3Very high23 Ų2366.7 Ų66.711%0.10631%0.31CS..EExtended strand (participates in β ladder)trans-105.4110.5170.4-161.2148.4000108.6V53 L54 C55 L56 S104 T106H22-V53 HydrophobicContact CB-CG1 3.93Å; H22-L54 PolarHBondContact N-O 2.88Å; H22-C55 CarbonylContact O-C 3.6Å; H22-C55 VanDerWaalsContact O-CA 3.29Å; H22-C55 WeakPolarHBondContact O-CA 3.24Å; H22-L56 PolarHBondContact O-N 3.38Å; H22-S104 CarbonylContact C-O 3.55Å; H22-S104 WeakPolarHBondContact CA-O 3.13Å; H22-T106 PolarHBondContact NE2-OG1 3.01Å
23V98.3Very high91.2Very high0 Ų065.7 Ų65.70%031%0.305CS..EExtended strand (participates in β ladder)trans-93.4128.5177.3170.40000109.8V21 I25 L56 V58 I92 L94 L103 S104 I105 T106V21-V23 HydrophobicContact CG1-CG2 3.92Å; V23-I25 HydrophobicContact CG1-CB 4.06Å; V23-L56 WeakPolarHBondContact CA-O 3.37Å; V23-V58 HydrophobicContact CB-CG2 4.45Å; V23-V58 HydrophobicContact CG1-CB 3.79Å; V23-V58 HydrophobicContact CG1-CG2 3.54Å; V23-V58 HydrophobicContact CG2-CG2 4.18Å; V23-I92 HydrophobicContact CG2-CD1 4.21Å; V23-L94 HydrophobicContact CB-CD2 4.44Å; V23-L94 HydrophobicContact CG1-CD2 4.4Å; V23-L94 HydrophobicContact CG2-CD2 3.73Å; V23-L103 HydrophobicContact CB-CD1 4.19Å; V23-L103 HydrophobicContact CG2-CD1 3.75Å; V23-S104 PolarHBondContact N-O 3.08Å; V23-I105 CarbonylContact O-C 3.59Å; V23-I105 VanDerWaalsContact O-CA 3.3Å; V23-I105 WeakPolarHBondContact O-CA 3.24Å; V23-T106 PolarHBondContact O-N 3.27Å
24V98.4Very high91.3Very high0 Ų060.6 Ų60.60%028%0.278CS..EExtended strand (participates in β ladder)trans-100.7124.1164.2-171.80000107T38 Y41 A42 L45 L56 V58 T106 V108V24-T38 HydrophobicContact CB-CG2 4.25Å; V24-T38 HydrophobicContact CG1-CG2 4.01Å; V24-T38 WeakPolarHBondContact O-CG2 3.45Å; V24-Y41 HydrophobicContact CG1-CD1 4.1Å; V24-Y41 HydrophobicContact CG2-CD1 3.94Å; V24-A42 HydrophobicContact CB-CB 4.06Å; V24-A42 HydrophobicContact CG2-CB 3.75Å; V24-L45 HydrophobicContact CG2-CD1 3.57Å; V24-L56 PolarHBondContact N-O 3.18Å; V24-V58 PolarHBondContact O-N 2.81Å; V24-T106 WeakPolarHBondContact CA-O 3.37Å; V24-V108 HydrophobicContact CG1-CB 4.49Å; V24-V108 HydrophobicContact CG1-CG2 3.5Å; V24-V108 VanDerWaalsContact CG1-CG2 3.5Å
25I96.4Very high91.4Very high3 Ų351 Ų512%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-132.7131.7-174.4-169.5164.9000111.3V23 V58 N60 L94 I105 T106 L107 V108V23-I25 HydrophobicContact CG1-CB 4.06Å; I25-V58 HydrophobicContact CD1-CG1 4.22Å; I25-N60 HydrophobicContact CD1-CB 3.81Å; I25-N60 HydrophobicContact CG1-CB 3.71Å; I25-L94 HydrophobicContact CD1-CD1 4.34Å; I25-I105 HydrophobicContact CG2-CG2 3.7Å; I25-T106 PolarHBondContact N-O 3.37Å; I25-L107 HydrophobicContact CG2-CD2 3.45Å; I25-L107 VanDerWaalsContact CG2-CD2 3.45Å; I25-V108 PolarHBondContact O-N 3.08Å
26G93.9Very high91.9Very high9 Ų948.6 Ų48.69%0.09323%0.225CC..  trans-93.7177.3176.300000113.7N60 V108G26-N60 WeakPolarHBondContact O-CB 3.36Å; G26-V108 WeakPolarHBondContact CA-O 3.27Å
27P91.9Very high92.8Very high25 Ų2538.6 Ų38.616%0.16218%0.181CC..  trans-65161.1170.528.9-37.8000112.9S29 C30 S34 V108P27-S29 WeakPolarHBondContact CG-OG 3.48Å; P27-S29 PolarHBondContact O-N 2.84Å; P27-C30 PolarHBondContact O-N 2.88Å; P27-S34 VanDerWaalsContact CG-OG 3.3Å; P27-S34 WeakPolarHBondContact CG-OG 3.49Å; P27-V108 WeakPolarHBondContact CD-O 3.5Å
28K90.5Very high93.5Very high99 Ų9928.2 Ų28.243%0.4314%0.142SC..THydrogen-bonded Turntrans-66.5-14.4174.5-53.5-159.3175.6175.40113.7C30 N60 I61 F69 E116K28-C30 PolarHBondContact O-N 2.66Å; K28-N60 HydrophobicContact CG-CB 4.41Å; K28-N60 WeakPolarHBondContact CG-O 3.38Å; K28-I61 HydrophobicContact CB-CG2 4.11Å; K28-F69 WeakPolarHBondContact O-CZ 3.09Å; K28-E116 IonicContact NZ-OE1 2.93Å; K28-E116 PolarHBondContact NZ-OE1 3Å
29S87.4Confident94Very high62 Ų6226.8 Ų26.843%0.43414%0.135SC..THydrogen-bonded Turntrans-63.6-25.2175.5560000112.4P27 D31 F69P27-S29 WeakPolarHBondContact CG-OG 3.48Å; P27-S29 PolarHBondContact O-N 2.84Å; S29-D31 PolarHBondContact O-N 3.08Å; S29-D31 PolarHBondContact OG-OD2 2.99Å; S29-F69 WeakPolarHBondContact O-CD1 3.3Å; S29-F69 WeakPolarHBondContact O-CE1 3.27Å
30C88.6Confident94.4Very high1 Ų119.5 Ų19.51%0.00710%0.101CC..  trans4337.3179.7-69.60000113.1P27 K28 L35 I61 F69 T72P27-C30 PolarHBondContact O-N 2.88Å; K28-C30 PolarHBondContact O-N 2.66Å; C30-L35 HydrophobicContact CB-CD1 4.44Å; C30-L35 HydrophobicContact CB-CD2 4.25Å; C30-L35 HydrophobicContact CB-CG 4.43Å; C30-I61 HydrophobicContact CB-CD1 4.48Å; C30-F69 HydrophobicContact CB-CD1 4Å; C30-F69 HydrophobicContact CB-CE1 3.97Å; C30-F69 HydrophobicContact CB-CG 4.49Å; C30-F69 HydrophobicContact CB-CZ 4.39Å; C30-T72 VanDerWaalsContact O-CG2 3.3Å; C30-T72 WeakPolarHBondContact O-CG2 3.35Å; C30-T72 PolarHBondContact O-OG1 3.21Å
31D89.1Confident94.5Very high38 Ų3813.4 Ų13.420%0.2037%0.074CC..  trans-65.9157.7172.156.376.3000110.1S29 D33 S34 L35S29-D31 PolarHBondContact O-N 3.08Å; S29-D31 PolarHBondContact OG-OD2 2.99Å; D31-D33 PolarHBondContact O-N 2.92Å; D31-D33 PolarHBondContact OD1-N 3.41Å; D31-S34 VanDerWaalsContact CG-OG 3.3Å; D31-S34 PolarHBondContact O-N 3.47Å; D31-S34 VanDerWaalsContact O-N 3.15Å; D31-S34 WeakPolarHBondContact OD1-CB 3.47Å; D31-S34 PolarHBondContact OD1-N 2.89Å; D31-S34 PolarHBondContact OD1-OG 2.89Å; D31-S34 PolarHBondContact OD2-OG 2.94Å; D31-L35 PolarHBondContact O-N 3.29Å
32L90.8Very high94.6Very high1 Ų113.3 Ų13.31%0.0057%0.074CC..Hα-helixtrans-55.1-41.5-175.1-174.868.2000112L35 I36 I75 L76 L79 F174 L212L32-L35 PolarHBondContact O-N 3.29Å; L32-I36 HydrophobicContact CD1-CD1 4.44Å; L32-I36 HydrophobicContact CD1-CG1 4.01Å; L32-I36 HydrophobicContact CG-CG1 4.19Å; L32-I36 WeakPolarHBondContact O-CB 3.43Å; L32-I36 WeakPolarHBondContact O-CG1 3.43Å; L32-I36 PolarHBondContact O-N 3.12Å; L32-I75 HydrophobicContact CD1-CB 4.44Å; L32-I75 HydrophobicContact CD1-CG2 3.75Å; L32-I75 HydrophobicContact CD2-CG2 3.73Å; L32-I75 HydrophobicContact CG-CG2 4.37Å; L32-L76 HydrophobicContact CD1-CD2 4.04Å; L32-L76 HydrophobicContact CD1-CG 4.47Å; L32-L79 HydrophobicContact CD1-CD1 4.22Å; L32-F174 HydrophobicContact CB-CD1 3.67Å; L32-F174 HydrophobicContact CB-CE1 3.76Å; L32-F174 HydrophobicContact CB-CG 4.33Å; L32-F174 HydrophobicContact CB-CZ 4.49Å; L32-F174 HydrophobicContact CD2-CB 3.82Å; L32-F174 HydrophobicContact CD2-CD1 3.86Å; L32-F174 HydrophobicContact CD2-CD2 4.04Å; L32-F174 HydrophobicContact CD2-CE1 4.44Å; L32-F174 HydrophobicContact CD2-CG 3.62Å; L32-F174 HydrophobicContact CG-CD1 4.37Å; L32-L212 HydrophobicContact CD2-CD2 4.46Å
33D93.1Very high94.5Very high2 Ų213.5 Ų13.51%0.0117%0.074CC..Hα-helixtrans-58.8-51.2178.6179.538.4000111.8D31 L35 S37 S143 S144 S145 S171 K175D31-D33 PolarHBondContact O-N 2.92Å; D31-D33 PolarHBondContact OD1-N 3.41Å; D33-L35 VanDerWaalsContact C-N 3.33Å; D33-L35 PolarHBondContact O-N 3.14Å; D33-S37 WeakPolarHBondContact O-CB 3.24Å; D33-S37 PolarHBondContact O-N 2.8Å; D33-S37 PolarHBondContact O-OG 2.8Å; D33-S143 WeakPolarHBondContact OD2-CA 3.35Å; D33-S143 WeakPolarHBondContact OD2-CB 3.24Å; D33-S144 PolarHBondContact OD1-N 3.2Å; D33-S144 PolarHBondContact OD2-N 2.86Å; D33-S145 PolarHBondContact O-OG 2.61Å; D33-S145 WeakPolarHBondContact OD1-CB 3.41Å; D33-S145 PolarHBondContact OD1-N 3.15Å; D33-S145 PolarHBondContact OD1-OG 2.87Å; D33-S171 VanDerWaalsContact CA-OG 3.3Å; D33-S171 WeakPolarHBondContact CA-OG 3.47Å; D33-K175 HydrophobicContact CB-CB 4.2Å; D33-K175 HydrophobicContact CB-CD 4.1Å; D33-K175 HydrophobicContact CB-CG 4.43Å
34S93.2Very high94.5Very high4 Ų414 Ų143%0.0288%0.076CC..Hα-helixtrans-60.7-40177.9-640000112.8P27 D31 T38P27-S34 VanDerWaalsContact CG-OG 3.3Å; P27-S34 WeakPolarHBondContact CG-OG 3.49Å; D31-S34 VanDerWaalsContact CG-OG 3.3Å; D31-S34 PolarHBondContact O-N 3.47Å; D31-S34 VanDerWaalsContact O-N 3.15Å; D31-S34 WeakPolarHBondContact OD1-CB 3.47Å; D31-S34 PolarHBondContact OD1-N 2.89Å; D31-S34 PolarHBondContact OD1-OG 2.89Å; D31-S34 PolarHBondContact OD2-OG 2.94Å; S34-T38 VanDerWaalsContact O-CB 3.29Å; S34-T38 WeakPolarHBondContact O-CB 3.36Å; S34-T38 PolarHBondContact O-N 2.8Å; S34-T38 PolarHBondContact O-OG1 3.47Å
35L94.7Very high94.5Very high4 Ų414.6 Ų14.62%0.0218%0.079CC..Hα-helixtrans-70.9-49.7-179.9-69.5-176.2000112.7C30 D31 L32 D33 S37 T38 F39 L59 F66 T72 L76C30-L35 HydrophobicContact CB-CD1 4.44Å; C30-L35 HydrophobicContact CB-CD2 4.25Å; C30-L35 HydrophobicContact CB-CG 4.43Å; D31-L35 PolarHBondContact O-N 3.29Å; L32-L35 PolarHBondContact O-N 3.29Å; D33-L35 VanDerWaalsContact C-N 3.33Å; D33-L35 PolarHBondContact O-N 3.14Å; L35-S37 VanDerWaalsContact C-N 3.25Å; L35-S37 PolarHBondContact O-N 2.86Å; L35-T38 PolarHBondContact O-N 2.76Å; L35-F39 HydrophobicContact CB-CE2 4.23Å; L35-F39 WeakPolarHBondContact O-CD2 3.47Å; L35-F39 VanDerWaalsContact O-CG 3.24Å; L35-F39 WeakPolarHBondContact O-CG 3.37Å; L35-F39 PolarHBondContact O-N 3.49Å; L35-L59 HydrophobicContact CD2-CD1 4.01Å; L35-L59 HydrophobicContact CD2-CD2 3.89Å; L35-L59 HydrophobicContact CD2-CG 3.57Å; L35-F66 HydrophobicContact CD1-CE2 4.45Å; L35-T72 HydrophobicContact CD1-CG2 3.28Å; L35-T72 HydrophobicContact CG-CG2 4.5Å; L35-L76 HydrophobicContact CD1-CD1 3.72Å
36I95.4Very high94.5Very high0 Ų016.4 Ų16.40%09%0.089CC..Hα-helixtrans-61.1-40177.9-64.7-61.3000110.2L32 T40 L76 L79 I81 L168L32-I36 HydrophobicContact CD1-CD1 4.44Å; L32-I36 HydrophobicContact CD1-CG1 4.01Å; L32-I36 HydrophobicContact CG-CG1 4.19Å; L32-I36 WeakPolarHBondContact O-CB 3.43Å; L32-I36 WeakPolarHBondContact O-CG1 3.43Å; L32-I36 PolarHBondContact O-N 3.12Å; I36-T40 WeakPolarHBondContact O-CB 3.4Å; I36-T40 PolarHBondContact O-N 3.47Å; I36-T40 PolarHBondContact O-OG1 3.19Å; I36-L76 HydrophobicContact CD1-CD2 4.33Å; I36-L79 HydrophobicContact CD1-CD1 4.43Å; I36-I81 HydrophobicContact CD1-CD1 3.71Å; I36-L168 HydrophobicContact CG2-CD2 4.08Å
37S96.8Very high94.6Very high0 Ų020.6 Ų20.60%011%0.105CC..Hα-helixtrans-61.8-46.7174.9-560000112D33 L35 T40 Y41 S144 S145D33-S37 WeakPolarHBondContact O-CB 3.24Å; D33-S37 PolarHBondContact O-N 2.8Å; D33-S37 PolarHBondContact O-OG 2.8Å; L35-S37 VanDerWaalsContact C-N 3.25Å; L35-S37 PolarHBondContact O-N 2.86Å; S37-T40 PolarHBondContact O-N 3.43Å; S37-Y41 VanDerWaalsContact O-CB 3.27Å; S37-Y41 WeakPolarHBondContact O-CB 3.37Å; S37-Y41 PolarHBondContact O-N 3.04Å; S37-S144 VanDerWaalsContact OG-CB 3.23Å; S37-S144 WeakPolarHBondContact OG-CB 2.97Å; S37-S145 WeakPolarHBondContact OG-CA 3.39Å; S37-S145 PolarHBondContact OG-N 2.9Å; S37-S145 PolarHBondContact OG-OG 2.96Å
38T97.5Very high94.8Very high2 Ų222.9 Ų22.91%0.01212%0.118CC..Hα-helixtrans-61.3-48178.7-62.30000111.5V24 S34 L35 A42 P57V24-T38 HydrophobicContact CB-CG2 4.25Å; V24-T38 HydrophobicContact CG1-CG2 4.01Å; V24-T38 WeakPolarHBondContact O-CG2 3.45Å; S34-T38 VanDerWaalsContact O-CB 3.29Å; S34-T38 WeakPolarHBondContact O-CB 3.36Å; S34-T38 PolarHBondContact O-N 2.8Å; S34-T38 PolarHBondContact O-OG1 3.47Å; L35-T38 PolarHBondContact O-N 2.76Å; T38-A42 WeakPolarHBondContact O-CB 3.18Å; T38-A42 PolarHBondContact O-N 3.01Å; T38-P57 HydrophobicContact CG2-CB 3.87Å
39F97.4Very high95Very high0 Ų019.6 Ų19.60%011%0.107CC..Hα-helixtrans-63.8-44178.1-62.4-26.6000112.4M1 L5 L35 Y43 P57 L59 L76 I81 H86M1-F39 HydrophobicContact CE-CB 4.48Å; M1-F39 HydrophobicContact SD-CB 3.77Å; L5-F39 HydrophobicContact CD1-CD2 4.44Å; L5-F39 HydrophobicContact CD1-CG 4.38Å; L5-F39 HydrophobicContact CD2-CB 4.31Å; L5-F39 HydrophobicContact CD2-CD1 3.85Å; L5-F39 HydrophobicContact CD2-CE1 4.43Å; L5-F39 HydrophobicContact CD2-CG 4.16Å; L35-F39 HydrophobicContact CB-CE2 4.23Å; L35-F39 WeakPolarHBondContact O-CD2 3.47Å; L35-F39 VanDerWaalsContact O-CG 3.24Å; L35-F39 WeakPolarHBondContact O-CG 3.37Å; L35-F39 PolarHBondContact O-N 3.49Å; F39-Y43 WeakPolarHBondContact O-CB 3.49Å; F39-Y43 PolarHBondContact O-N 3.18Å; F39-P57 HydrophobicContact CD1-CB 3.63Å; F39-P57 HydrophobicContact CD1-CG 3.98Å; F39-P57 HydrophobicContact CE1-CB 4.17Å; F39-P57 HydrophobicContact CE1-CG 4.49Å; F39-L59 HydrophobicContact CE1-CD1 3.58Å; F39-L59 HydrophobicContact CZ-CD1 3.84Å; F39-L76 HydrophobicContact CE2-CD2 4.4Å; F39-I81 HydrophobicContact CD2-CG2 4.37Å; F39-I81 HydrophobicContact CE2-CG2 3.98Å; F39-H86 AromaticContact CE2-NE2 3.8Å; F39-H86 AromaticContact CZ-CD2 3.5Å; F39-H86 VanDerWaalsContact CZ-CD2 3.5Å; F39-H86 WeakPolarHBondContact CZ-CD2 3.43Å; F39-H86 AromaticContact CZ-NE2 3.52Å
40T97.6Very high95.3Very high0 Ų021 Ų210%012%0.115CC..Hα-helixtrans-66.6-44.2-178.7-60.60000111.2M1 I36 S37 Y43 F44 V148 I152 L164 L168M1-T40 VanDerWaalsContact CE-OG1 3.26Å; M1-T40 WeakPolarHBondContact CE-OG1 3.38Å; I36-T40 WeakPolarHBondContact O-CB 3.4Å; I36-T40 PolarHBondContact O-N 3.47Å; I36-T40 PolarHBondContact O-OG1 3.19Å; S37-T40 PolarHBondContact O-N 3.43Å; T40-Y43 WeakPolarHBondContact O-CB 3.47Å; T40-Y43 PolarHBondContact O-N 2.97Å; T40-F44 PolarHBondContact O-N 2.64Å; T40-V148 HydrophobicContact CG2-CG1 3.69Å; T40-I152 HydrophobicContact CG2-CD1 3.5Å; T40-L164 HydrophobicContact CG2-CD1 3.86Å; T40-L164 HydrophobicContact CG2-CD2 4.18Å; T40-L164 HydrophobicContact CG2-CG 4.43Å; T40-L168 HydrophobicContact CG2-CD1 4.11Å; T40-L168 HydrophobicContact CG2-CD2 4.07Å; T40-L168 HydrophobicContact CG2-CG 4.44Å
41Y98.3Very high95.3Very high7 Ų727.5 Ų27.53%0.02716%0.157CC..Hα-helixtrans-70.1-38.1-179.4-161.2-99000111.9V24 S37 Y43 F44 L45 T106 K126 I128 V148 E151V24-Y41 HydrophobicContact CG1-CD1 4.1Å; V24-Y41 HydrophobicContact CG2-CD1 3.94Å; S37-Y41 VanDerWaalsContact O-CB 3.27Å; S37-Y41 WeakPolarHBondContact O-CB 3.37Å; S37-Y41 PolarHBondContact O-N 3.04Å; Y41-Y43 VanDerWaalsContact C-N 3.3Å; Y41-Y43 PolarHBondContact O-N 2.89Å; Y41-F44 HydrophobicContact CD2-CD1 4.14Å; Y41-F44 AromaticContact CE2-CD1 3.75Å; Y41-F44 HydrophobicContact CE2-CD1 3.75Å; Y41-F44 HydrophobicContact CE2-CE1 4.05Å; Y41-F44 WeakPolarHBondContact O-CB 3.14Å; Y41-F44 PolarHBondContact O-N 3.06Å; Y41-L45 HydrophobicContact CD1-CD1 3.9Å; Y41-L45 HydrophobicContact CD1-CG 4.09Å; Y41-L45 HydrophobicContact CE1-CD1 3.74Å; Y41-L45 HydrophobicContact CE1-CD2 4.04Å; Y41-L45 HydrophobicContact CE1-CG 3.83Å; Y41-L45 WeakPolarHBondContact O-CG 3.33Å; Y41-L45 PolarHBondContact O-N 3.4Å; Y41-T106 HydrophobicContact CD1-CG2 3.85Å; Y41-T106 HydrophobicContact CE1-CG2 3.58Å; Y41-K126 VanDerWaalsContact OH-CD 3.32Å; Y41-K126 WeakPolarHBondContact OH-CD 3.49Å; Y41-K126 WeakPolarHBondContact OH-CE 3.5Å; Y41-K126 PolarHBondContact OH-NZ 3.41Å; Y41-I128 HydrophobicContact CD1-CD1 4.1Å; Y41-I128 HydrophobicContact CD2-CD1 3.48Å; Y41-I128 VanDerWaalsContact CD2-CD1 3.48Å; Y41-I128 HydrophobicContact CE1-CD1 3.9Å; Y41-I128 HydrophobicContact CE2-CD1 3.25Å; Y41-I128 HydrophobicContact CG-CD1 3.9Å; Y41-I128 VanDerWaalsContact CZ-CD1 3.47Å; Y41-V148 HydrophobicContact CD2-CG1 4.1Å; Y41-V148 HydrophobicContact CD2-CG2 4.08Å; Y41-V148 HydrophobicContact CG-CG2 4.42Å; Y41-E151 HydrophobicContact CE2-CG 4.47Å; Y41-E151 VanDerWaalsContact CE2-OE1 3.23Å; Y41-E151 WeakPolarHBondContact CE2-OE1 3.23Å; Y41-E151 VanDerWaalsContact CZ-OE1 3.32Å; Y41-E151 PolarHBondContact OH-OE1 3.32Å
42A98.2Very high95.3Very high0 Ų028.4 Ų28.40%018%0.175CC..Hα-helixtrans-63.5-37.5172.400000112.2F4 V24 T38 L45 D46 P57F4-A42 HydrophobicContact CE1-CB 3.94Å; F4-A42 VanDerWaalsContact CZ-C 3.49Å; F4-A42 HydrophobicContact CZ-CB 3.8Å; F4-A42 WeakPolarHBondContact CZ-O 3.46Å; V24-A42 HydrophobicContact CB-CB 4.06Å; V24-A42 HydrophobicContact CG2-CB 3.75Å; T38-A42 WeakPolarHBondContact O-CB 3.18Å; T38-A42 PolarHBondContact O-N 3.01Å; A42-L45 PolarHBondContact O-N 3.27Å; A42-D46 PolarHBondContact O-N 3.03Å; A42-P57 HydrophobicContact CB-CB 3.67Å; A42-P57 HydrophobicContact CB-CG 3.93Å
43Y97.9Very high95.5Very high27 Ų2730.1 Ų30.111%0.10619%0.186CC..Hα-helixtrans-63.6-43.4173.2167.8-104.6000111.9F4 F39 T40 Y41 D46 K47 L159 L164F4-Y43 HydrophobicContact CB-CD2 3.79Å; F4-Y43 HydrophobicContact CB-CE2 4.46Å; F4-Y43 HydrophobicContact CD1-CD2 4.18Å; F4-Y43 HydrophobicContact CD1-CG 4.47Å; F4-Y43 AromaticContact CG-CD2 3.95Å; F4-Y43 HydrophobicContact CG-CD2 3.95Å; F39-Y43 WeakPolarHBondContact O-CB 3.49Å; F39-Y43 PolarHBondContact O-N 3.18Å; T40-Y43 WeakPolarHBondContact O-CB 3.47Å; T40-Y43 PolarHBondContact O-N 2.97Å; Y41-Y43 VanDerWaalsContact C-N 3.3Å; Y41-Y43 PolarHBondContact O-N 2.89Å; Y43-D46 PolarHBondContact O-N 2.75Å; Y43-K47 HydrophobicContact CE2-CD 4.47Å; Y43-K47 VanDerWaalsContact CE2-CE 3.45Å; Y43-K47 HydrophobicContact CE2-CG 4.2Å; Y43-K47 WeakPolarHBondContact O-CG 3.42Å; Y43-K47 PolarHBondContact O-N 2.86Å; Y43-L159 HydrophobicContact CE1-CB 4.43Å; Y43-L164 HydrophobicContact CD1-CD2 4.11Å; Y43-L164 HydrophobicContact CE1-CD2 4.04Å
44F98.1Very high95.7Very high10 Ų1030.9 Ų30.94%0.04419%0.19CC..Hα-helixtrans-57.4-50.5173.4164.7-108.4000111T40 Y41 D46 K47 V48 I152 E155 A156 L159T40-F44 PolarHBondContact O-N 2.64Å; Y41-F44 HydrophobicContact CD2-CD1 4.14Å; Y41-F44 AromaticContact CE2-CD1 3.75Å; Y41-F44 HydrophobicContact CE2-CD1 3.75Å; Y41-F44 HydrophobicContact CE2-CE1 4.05Å; Y41-F44 WeakPolarHBondContact O-CB 3.14Å; Y41-F44 PolarHBondContact O-N 3.06Å; F44-D46 VanDerWaalsContact C-N 3.33Å; F44-D46 PolarHBondContact O-N 3.06Å; F44-K47 WeakPolarHBondContact O-CB 3.32Å; F44-K47 PolarHBondContact O-N 2.97Å; F44-V48 HydrophobicContact CD1-CG2 4.34Å; F44-V48 HydrophobicContact CD2-CG1 3.97Å; F44-V48 HydrophobicContact CD2-CG2 4.41Å; F44-V48 HydrophobicContact CE1-CG2 3.99Å; F44-V48 HydrophobicContact CE2-CB 4.45Å; F44-V48 HydrophobicContact CE2-CG1 3.59Å; F44-V48 HydrophobicContact CE2-CG2 4.06Å; F44-V48 HydrophobicContact CZ-CG1 4.15Å; F44-V48 HydrophobicContact CZ-CG2 3.83Å; F44-V48 WeakPolarHBondContact O-CG2 3.14Å; F44-V48 PolarHBondContact O-N 2.85Å; F44-V48 VanDerWaalsContact O-N 3.09Å; F44-I152 HydrophobicContact CB-CD1 3.85Å; F44-I152 HydrophobicContact CB-CG1 3.9Å; F44-I152 HydrophobicContact CD1-CG1 4.44Å; F44-I152 HydrophobicContact CD2-CB 4.42Å; F44-I152 HydrophobicContact CD2-CG1 3.8Å; F44-I152 HydrophobicContact CD2-CG2 4.19Å; F44-I152 HydrophobicContact CE2-CG1 4.43Å; F44-I152 HydrophobicContact CG-CD1 4.32Å; F44-I152 HydrophobicContact CG-CG1 3.8Å; F44-E155 HydrophobicContact CE2-CB 3.97Å; F44-E155 HydrophobicContact CZ-CB 3.81Å; F44-E155 HydrophobicContact CZ-CG 4.31Å; F44-A156 HydrophobicContact CD2-CB 4.32Å; F44-A156 HydrophobicContact CE2-CB 3.87Å; F44-L159 HydrophobicContact CD2-CD1 3.93Å
45L98Very high95.9Very high13 Ų1330.7 Ų30.77%0.06819%0.189CC..Hα-helixtrans-60.2-38.3178.2-68.5177.5000112.9V24 Y41 A42 K47 V48 S49 C55V24-L45 HydrophobicContact CG2-CD1 3.57Å; Y41-L45 HydrophobicContact CD1-CD1 3.9Å; Y41-L45 HydrophobicContact CD1-CG 4.09Å; Y41-L45 HydrophobicContact CE1-CD1 3.74Å; Y41-L45 HydrophobicContact CE1-CD2 4.04Å; Y41-L45 HydrophobicContact CE1-CG 3.83Å; Y41-L45 WeakPolarHBondContact O-CG 3.33Å; Y41-L45 PolarHBondContact O-N 3.4Å; A42-L45 PolarHBondContact O-N 3.27Å; L45-K47 PolarHBondContact O-N 3.17Å; L45-V48 PolarHBondContact O-N 3.37Å; L45-S49 WeakPolarHBondContact O-CB 3.46Å; L45-S49 PolarHBondContact O-N 2.94Å; L45-S49 PolarHBondContact O-OG 2.62Å; L45-C55 VanDerWaalsContact C-SG 3.52Å; L45-C55 HydrophobicContact CB-CB 4.05Å
46D96.7Very high96.1Very high40 Ų4030.5 Ų30.521%0.21419%0.188CC..Hα-helixtrans-59.6-26174.8-178.373.2000112.9F4 A42 Y43 F44 C55F4-D46 HydrophobicContact CD2-CB 3.64Å; F4-D46 VanDerWaalsContact CD2-CG 3.48Å; F4-D46 WeakPolarHBondContact CD2-OD2 3.21Å; F4-D46 HydrophobicContact CE2-CB 3.41Å; F4-D46 VanDerWaalsContact CE2-CB 3.41Å; F4-D46 HydrophobicContact CZ-CB 4.28Å; A42-D46 PolarHBondContact O-N 3.03Å; Y43-D46 PolarHBondContact O-N 2.75Å; F44-D46 VanDerWaalsContact C-N 3.33Å; F44-D46 PolarHBondContact O-N 3.06Å; D46-C55 HydrophobicContact CB-CB 4.26Å
47K96.1Very high96.2Very high98 Ų9830.7 Ų30.743%0.42619%0.189SC..Hα-helixtrans-90.7-34.8-178.9-63.3-61.8-176.1-179.50113.8Y43 F44 L45 L159Y43-K47 HydrophobicContact CE2-CD 4.47Å; Y43-K47 VanDerWaalsContact CE2-CE 3.45Å; Y43-K47 HydrophobicContact CE2-CG 4.2Å; Y43-K47 WeakPolarHBondContact O-CG 3.42Å; Y43-K47 PolarHBondContact O-N 2.86Å; F44-K47 WeakPolarHBondContact O-CB 3.32Å; F44-K47 PolarHBondContact O-N 2.97Å; L45-K47 PolarHBondContact O-N 3.17Å; K47-L159 HydrophobicContact CB-CD1 3.52Å; K47-L159 HydrophobicContact CB-CD2 3.95Å; K47-L159 HydrophobicContact CB-CG 4.41Å; K47-L159 HydrophobicContact CD-CD2 4.42Å; K47-L159 HydrophobicContact CG-CD1 4Å; K47-L159 HydrophobicContact CG-CD2 3.88Å
48V96.1Very high96.2Very high72 Ų7230.7 Ų30.744%0.43619%0.189SC..Hα-helixtrans-101.7-17.8-174.3-54.80000113.6F44 L45 A156 L159F44-V48 HydrophobicContact CD1-CG2 4.34Å; F44-V48 HydrophobicContact CD2-CG1 3.97Å; F44-V48 HydrophobicContact CD2-CG2 4.41Å; F44-V48 HydrophobicContact CE1-CG2 3.99Å; F44-V48 HydrophobicContact CE2-CB 4.45Å; F44-V48 HydrophobicContact CE2-CG1 3.59Å; F44-V48 HydrophobicContact CE2-CG2 4.06Å; F44-V48 HydrophobicContact CZ-CG1 4.15Å; F44-V48 HydrophobicContact CZ-CG2 3.83Å; F44-V48 WeakPolarHBondContact O-CG2 3.14Å; F44-V48 PolarHBondContact O-N 2.85Å; F44-V48 VanDerWaalsContact O-N 3.09Å; L45-V48 PolarHBondContact O-N 3.37Å; V48-A156 HydrophobicContact CG1-CB 4.19Å; V48-L159 HydrophobicContact CG1-CD1 4.18Å
49S94.6Very high96.2Very high30 Ų3030.7 Ų30.721%0.2119%0.189CC..SBendtrans-71.3151-179.1-63.40000112.2L45L45-S49 WeakPolarHBondContact O-CB 3.46Å; L45-S49 PolarHBondContact O-N 2.94Å; L45-S49 PolarHBondContact O-OG 2.62Å
50P92.6Very high96Very high91 Ų9131.5 Ų31.559%0.59119%0.193SC*.PPolyproline II helixtrans-57151.8174.6-24.533.9000112.9G52 V53P50-G52 PolarHBondContact O-N 2.84Å; P50-V53 PolarHBondContact O-N 2.86Å
51P89.1Confident95.8Very high138 Ų13831.7 Ų31.790%0.89619%0.194SC*.THydrogen-bonded Turntrans-52.7136172.3-24.633.6000111.7
52G89.1Confident95.6Very high57 Ų5733.2 Ų33.259%0.58821%0.205SC*.THydrogen-bonded Turntrans97.1-10.417900000115.2P50P50-G52 PolarHBondContact O-N 2.84Å
53V95.3Very high95.5Very high38 Ų3836.1 Ų36.123%0.2322%0.216CC..EExtended strand (participates in β ladder)trans-84.9123.5170.6-175.50000109.9K20 H22 P50K20-V53 HydrophobicContact CB-CG2 4.22Å; K20-V53 HydrophobicContact CD-CG2 4.35Å; H22-V53 HydrophobicContact CB-CG1 3.93Å; P50-V53 PolarHBondContact O-N 2.86Å
54L96.9Very high95Very high17 Ų1739.5 Ų39.59%0.08924%0.239CC..EExtended strand (participates in β ladder)trans-90.4109.7173.5-179.962.2000110K11 L18 K20 V21 H22 L56K11-L54 HydrophobicContact CB-CD1 3.85Å; K11-L54 HydrophobicContact CB-CD2 4.48Å; K11-L54 HydrophobicContact CD-CD1 3.68Å; K11-L54 HydrophobicContact CG-CD1 4.44Å; L18-L54 HydrophobicContact CD2-CD2 3.54Å; K20-L54 PolarHBondContact O-N 3.48Å; V21-L54 CarbonylContact C-O 3.52Å; V21-L54 WeakPolarHBondContact CA-O 3.08Å; H22-L54 PolarHBondContact N-O 2.88Å; L54-L56 HydrophobicContact CD1-CD2 3.86Å; L54-L56 HydrophobicContact CD2-CD1 4.05Å; L54-L56 HydrophobicContact CD2-CD2 3.89Å; L54-L56 HydrophobicContact CD2-CG 4.16Å; L54-L56 HydrophobicContact CG-CD1 4.28Å; L54-L56 HydrophobicContact CG-CD2 3.63Å; L54-L56 HydrophobicContact CG-CG 3.87Å
55C98Very high94.6Very high0 Ų043 Ų430%026%0.256CS..EExtended strand (participates in β ladder)trans-90.6123.1177.7-58.50000110.5H22 L45 D46H22-C55 CarbonylContact O-C 3.6Å; H22-C55 VanDerWaalsContact O-CA 3.29Å; H22-C55 WeakPolarHBondContact O-CA 3.24Å; L45-C55 VanDerWaalsContact C-SG 3.52Å; L45-C55 HydrophobicContact CB-CB 4.05Å; D46-C55 HydrophobicContact CB-CB 4.26Å
56L98.2Very high94.2Very high0 Ų042.5 Ų42.50%025%0.253CS..EExtended strand (participates in β ladder)trans-127123.1-173.8-59.3180000110.9A8 L12 V21 H22 V23 V24 L54 V58 I87 I92A8-L56 HydrophobicContact CB-CD2 3.93Å; L12-L56 HydrophobicContact CD1-CD1 4.06Å; L12-L56 HydrophobicContact CD2-CD1 4.48Å; V21-L56 HydrophobicContact CG1-CD1 3.7Å; V21-L56 HydrophobicContact CG1-CG 4.17Å; H22-L56 PolarHBondContact O-N 3.38Å; V23-L56 WeakPolarHBondContact CA-O 3.37Å; V24-L56 PolarHBondContact N-O 3.18Å; L54-L56 HydrophobicContact CD1-CD2 3.86Å; L54-L56 HydrophobicContact CD2-CD1 4.05Å; L54-L56 HydrophobicContact CD2-CD2 3.89Å; L54-L56 HydrophobicContact CD2-CG 4.16Å; L54-L56 HydrophobicContact CG-CD1 4.28Å; L54-L56 HydrophobicContact CG-CD2 3.63Å; L54-L56 HydrophobicContact CG-CG 3.87Å; L56-V58 HydrophobicContact CB-CG2 4.34Å; L56-I87 HydrophobicContact CB-CD1 4.21Å; L56-I87 HydrophobicContact CD2-CD1 3.75Å; L56-I87 HydrophobicContact CG-CD1 4.41Å; L56-I92 HydrophobicContact CD1-CD1 3.54Å
57P97.8Very high93.6Very high4 Ų444.7 Ų44.73%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-79.2119.8164.627.7-24.3000109.7F4 L5 T38 F39 A42F4-P57 HydrophobicContact CE1-CG 4.12Å; F4-P57 HydrophobicContact CZ-CG 4.42Å; L5-P57 HydrophobicContact CD2-CG 3.48Å; L5-P57 VanDerWaalsContact CD2-CG 3.48Å; T38-P57 HydrophobicContact CG2-CB 3.87Å; F39-P57 HydrophobicContact CD1-CB 3.63Å; F39-P57 HydrophobicContact CD1-CG 3.98Å; F39-P57 HydrophobicContact CE1-CB 4.17Å; F39-P57 HydrophobicContact CE1-CG 4.49Å; A42-P57 HydrophobicContact CB-CB 3.67Å; A42-P57 HydrophobicContact CB-CG 3.93Å
58V97.5Very high92.8Very high0 Ų048 Ų480%028%0.276CS..EExtended strand (participates in β ladder)trans-112.9126.2-179.2178.30000109.9V23 V24 I25 L56 I87 I92V23-V58 HydrophobicContact CB-CG2 4.45Å; V23-V58 HydrophobicContact CG1-CB 3.79Å; V23-V58 HydrophobicContact CG1-CG2 3.54Å; V23-V58 HydrophobicContact CG2-CG2 4.18Å; V24-V58 PolarHBondContact O-N 2.81Å; I25-V58 HydrophobicContact CD1-CG1 4.22Å; L56-V58 HydrophobicContact CB-CG2 4.34Å; V58-I87 WeakPolarHBondContact CA-O 3.44Å; V58-I87 HydrophobicContact CG2-CG2 4.11Å; V58-I92 HydrophobicContact CG1-CG2 4.14Å; V58-I92 HydrophobicContact CG2-CG2 4.01Å
59L96Very high92.3Very high3 Ų346.8 Ų46.82%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-79.8124170.2-82.565000108.3L35 F39 I61 F66 H86 I87 F88 R89L35-L59 HydrophobicContact CD2-CD1 4.01Å; L35-L59 HydrophobicContact CD2-CD2 3.89Å; L35-L59 HydrophobicContact CD2-CG 3.57Å; F39-L59 HydrophobicContact CE1-CD1 3.58Å; F39-L59 HydrophobicContact CZ-CD1 3.84Å; L59-I61 HydrophobicContact CB-CG1 4.41Å; L59-I61 PolarHBondContact O-N 3.33Å; L59-F66 HydrophobicContact CD2-CD2 4.27Å; L59-F66 HydrophobicContact CD2-CE2 3.95Å; L59-F66 HydrophobicContact CD2-CZ 4.29Å; L59-H86 HydrophobicContact CD1-CB 4.38Å; L59-H86 HydrophobicContact CD2-CB 4.34Å; L59-I87 PolarHBondContact N-O 3.42Å; L59-F88 HydrophobicContact CB-CD1 3.91Å; L59-F88 HydrophobicContact CB-CE1 4.12Å; L59-F88 HydrophobicContact CD2-CD1 4.23Å; L59-F88 HydrophobicContact CD2-CE1 3.58Å; L59-F88 HydrophobicContact CD2-CZ 3.94Å; L59-F88 HydrophobicContact CG-CE1 4.49Å; L59-R89 PolarHBondContact O-N 3.34Å
60N94.9Very high91.5Very high16 Ų1646.2 Ų46.29%0.08626%0.26CS..SBendtrans-79.840.4-172.8-162.59.9000113.9I25 G26 K28I25-N60 HydrophobicContact CD1-CB 3.81Å; I25-N60 HydrophobicContact CG1-CB 3.71Å; G26-N60 WeakPolarHBondContact O-CB 3.36Å; K28-N60 HydrophobicContact CG-CB 4.41Å; K28-N60 WeakPolarHBondContact CG-O 3.38Å
61I93.6Very high91Very high4 Ų444.2 Ų44.22%0.02124%0.243CC..SBendtrans-141.2156.8176.359.2173.6000108.4K28 C30 L59 F66 F69 F88 R89K28-I61 HydrophobicContact CB-CG2 4.11Å; C30-I61 HydrophobicContact CB-CD1 4.48Å; L59-I61 HydrophobicContact CB-CG1 4.41Å; L59-I61 PolarHBondContact O-N 3.33Å; I61-F66 HydrophobicContact CD1-CB 4.15Å; I61-F66 HydrophobicContact CD1-CD2 3.79Å; I61-F66 HydrophobicContact CD1-CG 4.42Å; I61-F69 HydrophobicContact CD1-CD2 3.79Å; I61-F69 HydrophobicContact CD1-CE2 3.43Å; I61-F69 VanDerWaalsContact CD1-CE2 3.43Å; I61-F69 HydrophobicContact CD1-CZ 4.14Å; I61-F69 HydrophobicContact CG2-CE2 4.43Å; I61-F69 HydrophobicContact CG2-CZ 4.35Å; I61-F88 HydrophobicContact CD1-CE1 4.34Å; I61-F88 HydrophobicContact CG1-CD1 4.02Å; I61-F88 HydrophobicContact CG1-CE1 4.24Å; I61-F88 WeakPolarHBondContact O-CB 3.4Å; I61-F88 WeakPolarHBondContact O-CD1 3.41Å; I61-R89 PolarHBondContact O-N 3.22Å
62P94Very high90.9Very high39 Ų3938.3 Ų38.325%0.25321%0.205SC..  trans-62.6148.3166.9-19.732.8000111.6T64 E65 D90P62-T64 PolarHBondContact O-N 2.88Å; P62-E65 HydrophobicContact CB-CG 4.28Å; P62-E65 VanDerWaalsContact CD-CD 3.45Å; P62-E65 WeakPolarHBondContact CD-OE2 3.3Å; P62-E65 HydrophobicContact CG-CG 4.15Å; P62-E65 PolarHBondContact O-N 2.82Å; P62-D90 WeakPolarHBondContact CA-OD1 3.41Å; P62-D90 HydrophobicContact CB-CB 4.41Å
63R94.3Very high90.8Very high61 Ų6137.8 Ų37.823%0.2319%0.185CC..G310 helixtrans-54.5-38.7176.2178.4174.6-71.6-78.2-1.8112.6E65 F66 E83 H86 F88 D90 E91R63-E65 PolarHBondContact O-N 3.32Å; R63-F66 WeakPolarHBondContact O-CB 3.21Å; R63-F66 PolarHBondContact O-N 3.1Å; R63-E83 IonicContact NH1-OE1 3.52Å; R63-H86 PolarHBondContact NH2-O 2.97Å; R63-F88 VanDerWaalsContact CA-CG 3.49Å; R63-F88 HydrophobicContact CB-CB 4.01Å; R63-F88 HydrophobicContact CB-CD1 4.26Å; R63-F88 HydrophobicContact CB-CD2 3.69Å; R63-F88 HydrophobicContact CB-CE2 4.22Å; R63-F88 HydrophobicContact CB-CG 3.7Å; R63-F88 HydrophobicContact CG-CD2 3.92Å; R63-F88 HydrophobicContact CG-CE2 3.99Å; R63-F88 HydrophobicContact CG-CG 4.38Å; R63-F88 VanDerWaalsContact NH2-CD2 3.31Å; R63-D90 PolarHBondContact N-OD1 3.29Å; R63-D90 PolarHBondContact N-OD2 2.87Å; R63-E91 IonicContact CZ-OE1 2.76Å; R63-E91 VanDerWaalsContact CZ-OE1 3.24Å; R63-E91 IonicContact NE-OE1 2.79Å; R63-E91 PolarHBondContact NE-OE1 2.85Å; R63-E91 IonicContact NH2-OE1 3.97Å; R63-E91 PolarHBondContact NH2-OE1 2.84Å; R63-E91 IonicContact NH2-OE2 3.58Å; R63-E91 PolarHBondContact NH2-OE2 3.24Å
64T89.2Confident90.2Very high98 Ų9838 Ų3860%0.60118%0.183SC*.G310 helixtrans-63.3-26.2-179.150.30000113.2P62P62-T64 PolarHBondContact O-N 2.88Å
65E88.4Confident89.6Confident84 Ų8437.3 Ų37.339%0.39318%0.179SC..G310 helixtrans-84.2-16.7179.1-66.8-176.9-165.300112.9P62 R63 N67 Y68 F69P62-E65 HydrophobicContact CB-CG 4.28Å; P62-E65 VanDerWaalsContact CD-CD 3.45Å; P62-E65 WeakPolarHBondContact CD-OE2 3.3Å; P62-E65 HydrophobicContact CG-CG 4.15Å; P62-E65 PolarHBondContact O-N 2.82Å; R63-E65 PolarHBondContact O-N 3.32Å; E65-N67 PolarHBondContact O-N 3Å; E65-N67 VanDerWaalsContact O-N 3.12Å; E65-Y68 HydrophobicContact CB-CD2 4.09Å; E65-Y68 HydrophobicContact CB-CE2 4.38Å; E65-Y68 HydrophobicContact CG-CD2 4.45Å; E65-Y68 HydrophobicContact CG-CE2 4.3Å; E65-Y68 WeakPolarHBondContact O-CB 3.49Å; E65-Y68 WeakPolarHBondContact O-CD2 3.37Å; E65-Y68 PolarHBondContact O-N 2.93Å; E65-F69 WeakPolarHBondContact O-CD2 3.29Å
66F89.8Confident89.1Confident2 Ų237.4 Ų37.41%0.00918%0.18CC..G310 helixtrans-61.6-28.4-177.3-164.6-131.8000112.7L35 L59 I61 R63 Y68 F69 R73 L76 E83 H86 F88L35-F66 HydrophobicContact CD1-CE2 4.45Å; L59-F66 HydrophobicContact CD2-CD2 4.27Å; L59-F66 HydrophobicContact CD2-CE2 3.95Å; L59-F66 HydrophobicContact CD2-CZ 4.29Å; I61-F66 HydrophobicContact CD1-CB 4.15Å; I61-F66 HydrophobicContact CD1-CD2 3.79Å; I61-F66 HydrophobicContact CD1-CG 4.42Å; R63-F66 WeakPolarHBondContact O-CB 3.21Å; R63-F66 PolarHBondContact O-N 3.1Å; F66-Y68 PolarHBondContact O-N 2.83Å; F66-F69 HydrophobicContact CD2-CB 4.2Å; F66-F69 HydrophobicContact CD2-CD2 4.2Å; F66-F69 HydrophobicContact CD2-CG 4.43Å; F66-F69 HydrophobicContact CE2-CB 4.33Å; F66-F69 WeakPolarHBondContact O-CB 3.3Å; F66-F69 PolarHBondContact O-N 3.12Å; F66-R73 HydrophobicContact CD1-CG 3.76Å; F66-R73 HydrophobicContact CE1-CG 3.44Å; F66-R73 VanDerWaalsContact CE1-CG 3.44Å; F66-R73 HydrophobicContact CE2-CG 4.25Å; F66-R73 HydrophobicContact CG-CG 4.31Å; F66-R73 HydrophobicContact CZ-CG 3.72Å; F66-R73 WeakPolarHBondContact O-CD 3.32Å; F66-L76 HydrophobicContact CZ-CD1 3.96Å; F66-E83 HydrophobicContact CD1-CG 3.76Å; F66-E83 HydrophobicContact CE1-CB 4.34Å; F66-E83 HydrophobicContact CE1-CG 3.8Å; F66-H86 AromaticContact CE1-ND1 3.7Å; F66-H86 AromaticContact CZ-ND1 3.89Å; F66-F88 HydrophobicContact CB-CE1 3.51Å; F66-F88 HydrophobicContact CB-CZ 3.77Å; F66-F88 HydrophobicContact CD1-CE1 4.1Å; F66-F88 AromaticContact CD1-CZ 3.65Å; F66-F88 HydrophobicContact CD1-CZ 3.65Å; F66-F88 HydrophobicContact CD2-CE1 4Å; F66-F88 HydrophobicContact CD2-CZ 4.35Å; F66-F88 HydrophobicContact CE1-CZ 4.28Å; F66-F88 AromaticContact CG-CE1 3.61Å; F66-F88 HydrophobicContact CG-CE1 3.61Å; F66-F88 AromaticContact CG-CZ 3.67Å; F66-F88 HydrophobicContact CG-CZ 3.67Å
67N83.9Confident88.4Confident87 Ų8742.4 Ų42.447%0.46520%0.203SC..G310 helixtrans-55.6-23.6174.4-66.9-36.6000113.8E65 F69 T70 R73E65-N67 PolarHBondContact O-N 3Å; E65-N67 VanDerWaalsContact O-N 3.12Å; N67-F69 VanDerWaalsContact C-N 3.29Å; N67-T70 WeakPolarHBondContact O-CG2 3.38Å; N67-R73 PolarHBondContact OD1-NH1 2.79Å
68Y80.5Confident87.6Confident166 Ų16647.7 Ų47.765%0.65123%0.227SC*.G310 helixtrans-78.3-13.6177.1-56.2-56.2000113.2E65 F66 T70E65-Y68 HydrophobicContact CB-CD2 4.09Å; E65-Y68 HydrophobicContact CB-CE2 4.38Å; E65-Y68 HydrophobicContact CG-CD2 4.45Å; E65-Y68 HydrophobicContact CG-CE2 4.3Å; E65-Y68 WeakPolarHBondContact O-CB 3.49Å; E65-Y68 WeakPolarHBondContact O-CD2 3.37Å; E65-Y68 PolarHBondContact O-N 2.93Å; F66-Y68 PolarHBondContact O-N 2.83Å; Y68-T70 VanDerWaalsContact C-N 3.29Å; Y68-T70 PolarHBondContact O-N 3.26Å
69F84.5Confident86.8Confident47 Ų4749.7 Ų49.721%0.20624%0.238CC..  trans-95.552.9178.6-59.5-94.6000110.2K28 S29 C30 I61 E65 F66 N67 E71 T72 R73K28-F69 WeakPolarHBondContact O-CZ 3.09Å; S29-F69 WeakPolarHBondContact O-CD1 3.3Å; S29-F69 WeakPolarHBondContact O-CE1 3.27Å; C30-F69 HydrophobicContact CB-CD1 4Å; C30-F69 HydrophobicContact CB-CE1 3.97Å; C30-F69 HydrophobicContact CB-CG 4.49Å; C30-F69 HydrophobicContact CB-CZ 4.39Å; I61-F69 HydrophobicContact CD1-CD2 3.79Å; I61-F69 HydrophobicContact CD1-CE2 3.43Å; I61-F69 VanDerWaalsContact CD1-CE2 3.43Å; I61-F69 HydrophobicContact CD1-CZ 4.14Å; I61-F69 HydrophobicContact CG2-CE2 4.43Å; I61-F69 HydrophobicContact CG2-CZ 4.35Å; E65-F69 WeakPolarHBondContact O-CD2 3.29Å; F66-F69 HydrophobicContact CD2-CB 4.2Å; F66-F69 HydrophobicContact CD2-CD2 4.2Å; F66-F69 HydrophobicContact CD2-CG 4.43Å; F66-F69 HydrophobicContact CE2-CB 4.33Å; F66-F69 WeakPolarHBondContact O-CB 3.3Å; F66-F69 PolarHBondContact O-N 3.12Å; N67-F69 VanDerWaalsContact C-N 3.29Å; F69-E71 VanDerWaalsContact C-N 3.27Å; F69-E71 PolarHBondContact O-N 3.07Å; F69-T72 PolarHBondContact O-N 3.38Å; F69-R73 WeakPolarHBondContact O-CB 3.32Å; F69-R73 VanDerWaalsContact O-CG 3.31Å; F69-R73 WeakPolarHBondContact O-CG 3.43Å; F69-R73 PolarHBondContact O-N 3.48Å
70T79Confident86.2Confident19 Ų1955 Ų5512%0.11727%0.266CS..Hα-helixtrans-56.5-39.8-171.9560000112.7N67 Y68 F74 S223N67-T70 WeakPolarHBondContact O-CG2 3.38Å; Y68-T70 VanDerWaalsContact C-N 3.29Å; Y68-T70 PolarHBondContact O-N 3.26Å; T70-F74 WeakPolarHBondContact O-CB 3.3Å; T70-F74 PolarHBondContact O-N 3.34Å; T70-S223 WeakPolarHBondContact OG1-CB 3.38Å
71E82Confident85.8Confident48 Ų4854.3 Ų54.322%0.22426%0.263CS..Hα-helixtrans-65-53.9177.3-179.6-177.2172.100112.5F69 R73 F74 I75 Q216 A219F69-E71 VanDerWaalsContact C-N 3.27Å; F69-E71 PolarHBondContact O-N 3.07Å; E71-R73 VanDerWaalsContact C-N 3.26Å; E71-R73 PolarHBondContact O-N 2.76Å; E71-F74 PolarHBondContact O-N 3.24Å; E71-I75 HydrophobicContact CG-CD1 3.87Å; E71-I75 WeakPolarHBondContact O-CG1 3.43Å; E71-I75 PolarHBondContact O-N 3.22Å; E71-Q216 VanDerWaalsContact OE1-CG 3.3Å; E71-Q216 WeakPolarHBondContact OE1-CG 3.42Å; E71-Q216 PolarHBondContact OE1-NE2 2.85Å; E71-A219 VanDerWaalsContact CA-CB 3.43Å; E71-A219 HydrophobicContact CB-CB 3.7Å; E71-A219 HydrophobicContact CG-CB 3.75Å
72T86.3Confident85.6Confident15 Ų1556.6 Ų56.69%0.09228%0.279CS..Hα-helixtrans-57.6-42176.6-57.90000111.5C30 L35 F69 I75 L76C30-T72 VanDerWaalsContact O-CG2 3.3Å; C30-T72 WeakPolarHBondContact O-CG2 3.35Å; C30-T72 PolarHBondContact O-OG1 3.21Å; L35-T72 HydrophobicContact CD1-CG2 3.28Å; L35-T72 HydrophobicContact CG-CG2 4.5Å; F69-T72 PolarHBondContact O-N 3.38Å; T72-I75 PolarHBondContact O-N 3.36Å; T72-L76 HydrophobicContact CG2-CD1 3.93Å; T72-L76 HydrophobicContact CG2-CG 4.37Å; T72-L76 WeakPolarHBondContact O-CB 3.43Å; T72-L76 VanDerWaalsContact O-CG 3.22Å; T72-L76 WeakPolarHBondContact O-CG 3.36Å; T72-L76 PolarHBondContact O-N 2.73Å
73R87.1Confident85.4Confident45 Ų4556.6 Ų56.617%0.1728%0.275CS..Hα-helixtrans-59.4-50.5177.3-77.4173.262.6109.714.2111.6F66 N67 F69 E71 I75 L76 E77 E83F66-R73 HydrophobicContact CD1-CG 3.76Å; F66-R73 HydrophobicContact CE1-CG 3.44Å; F66-R73 VanDerWaalsContact CE1-CG 3.44Å; F66-R73 HydrophobicContact CE2-CG 4.25Å; F66-R73 HydrophobicContact CG-CG 4.31Å; F66-R73 HydrophobicContact CZ-CG 3.72Å; F66-R73 WeakPolarHBondContact O-CD 3.32Å; N67-R73 PolarHBondContact OD1-NH1 2.79Å; F69-R73 WeakPolarHBondContact O-CB 3.32Å; F69-R73 VanDerWaalsContact O-CG 3.31Å; F69-R73 WeakPolarHBondContact O-CG 3.43Å; F69-R73 PolarHBondContact O-N 3.48Å; E71-R73 VanDerWaalsContact C-N 3.26Å; E71-R73 PolarHBondContact O-N 2.76Å; R73-I75 PolarHBondContact O-N 2.96Å; R73-L76 PolarHBondContact O-N 3.06Å; R73-E77 WeakPolarHBondContact O-CG 3.1Å; R73-E77 PolarHBondContact O-N 3.23Å; R73-E83 IonicContact CZ-OE2 3.87Å; R73-E83 IonicContact NE-OE2 3.24Å; R73-E83 IonicContact NH1-OE1 2.63Å; R73-E83 PolarHBondContact NH1-OE1 3.48Å; R73-E83 IonicContact NH1-OE2 3.54Å; R73-E83 PolarHBondContact NH1-OE2 2.91Å; R73-E83 IonicContact NH2-OE2 3.71Å; R73-E83 PolarHBondContact NH2-OE2 3.25Å
74F83.3Confident85.2Confident44 Ų4457 Ų5719%0.19329%0.287CS..Hα-helixtrans-59.4-46.3179.5-174.1-107.3000111.3T70 E71 L76 E77 E78 T215 A219 L222T70-F74 WeakPolarHBondContact O-CB 3.3Å; T70-F74 PolarHBondContact O-N 3.34Å; E71-F74 PolarHBondContact O-N 3.24Å; F74-L76 PolarHBondContact O-N 2.98Å; F74-E77 PolarHBondContact O-N 3.18Å; F74-E78 HydrophobicContact CE1-CG 4.37Å; F74-E78 HydrophobicContact CZ-CG 4.43Å; F74-E78 PolarHBondContact O-N 3.45Å; F74-E78 VanDerWaalsContact O-N 3.11Å; F74-T215 HydrophobicContact CD1-CG2 3.32Å; F74-T215 WeakPolarHBondContact CD1-O 3.46Å; F74-T215 HydrophobicContact CE1-CG2 3.48Å; F74-T215 VanDerWaalsContact CE1-CG2 3.48Å; F74-T215 HydrophobicContact CG-CG2 4.5Å; F74-A219 HydrophobicContact CB-CB 4.25Å; F74-A219 HydrophobicContact CD1-CB 4.14Å; F74-A219 HydrophobicContact CG-CB 4.47Å; F74-L222 HydrophobicContact CD2-CD1 3.92Å; F74-L222 HydrophobicContact CE2-CD1 4.28Å; F74-L222 HydrophobicContact CG-CD1 4.46Å
75I83.2Confident85.3Confident2 Ų254.6 Ų54.61%0.0127%0.269CS..Hα-helixtrans-62-42.1176.9-61.9161.5000111.7L32 E71 T72 R73 E77 E78 L79 F174 L212 T215L32-I75 HydrophobicContact CD1-CB 4.44Å; L32-I75 HydrophobicContact CD1-CG2 3.75Å; L32-I75 HydrophobicContact CD2-CG2 3.73Å; L32-I75 HydrophobicContact CG-CG2 4.37Å; E71-I75 HydrophobicContact CG-CD1 3.87Å; E71-I75 WeakPolarHBondContact O-CG1 3.43Å; E71-I75 PolarHBondContact O-N 3.22Å; T72-I75 PolarHBondContact O-N 3.36Å; R73-I75 PolarHBondContact O-N 2.96Å; I75-E77 VanDerWaalsContact C-N 3.32Å; I75-E77 PolarHBondContact O-N 2.86Å; I75-E78 PolarHBondContact O-N 3.49Å; I75-L79 HydrophobicContact CG2-CD1 3.98Å; I75-L79 HydrophobicContact CG2-CG 4.39Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.25Å; I75-L79 PolarHBondContact O-N 3.32Å; I75-F174 HydrophobicContact CD1-CD2 4.4Å; I75-F174 HydrophobicContact CD1-CE2 3.69Å; I75-F174 HydrophobicContact CD1-CZ 3.98Å; I75-L212 HydrophobicContact CG2-CD2 4.21Å; I75-T215 HydrophobicContact CB-CG2 4.15Å; I75-T215 HydrophobicContact CG1-CG2 3.39Å
76L86.9Confident85.6Confident2 Ų250.7 Ų50.71%0.0125%0.25CS..Hα-helixtrans-66-35.7179.6-71.8171.5000112.5L32 L35 I36 F39 F66 T72 R73 F74 L79 N80 I81L32-L76 HydrophobicContact CD1-CD2 4.04Å; L32-L76 HydrophobicContact CD1-CG 4.47Å; L35-L76 HydrophobicContact CD1-CD1 3.72Å; I36-L76 HydrophobicContact CD1-CD2 4.33Å; F39-L76 HydrophobicContact CE2-CD2 4.4Å; F66-L76 HydrophobicContact CZ-CD1 3.96Å; T72-L76 HydrophobicContact CG2-CD1 3.93Å; T72-L76 HydrophobicContact CG2-CG 4.37Å; T72-L76 WeakPolarHBondContact O-CB 3.43Å; T72-L76 VanDerWaalsContact O-CG 3.22Å; T72-L76 WeakPolarHBondContact O-CG 3.36Å; T72-L76 PolarHBondContact O-N 2.73Å; R73-L76 PolarHBondContact O-N 3.06Å; F74-L76 PolarHBondContact O-N 2.98Å; L76-L79 CarbonylContact O-C 3.52Å; L76-L79 PolarHBondContact O-N 3.12Å; L76-N80 PolarHBondContact O-N 2.91Å; L76-I81 HydrophobicContact CB-CB 4.35Å; L76-I81 HydrophobicContact CD2-CB 4.16Å; L76-I81 HydrophobicContact CD2-CD1 3.94Å; L76-I81 HydrophobicContact CD2-CG2 4.3Å; L76-I81 PolarHBondContact O-N 3.28Å
77E85.3Confident86Confident105 Ų10550.6 Ų50.649%0.49125%0.25SS..Hα-helixtrans-62.3-46.3173.6-73.8176.3-178.700111.1R73 F74 I75 L79 N80R73-E77 WeakPolarHBondContact O-CG 3.1Å; R73-E77 PolarHBondContact O-N 3.23Å; F74-E77 PolarHBondContact O-N 3.18Å; I75-E77 VanDerWaalsContact C-N 3.32Å; I75-E77 PolarHBondContact O-N 2.86Å; E77-L79 PolarHBondContact O-N 3.42Å; E77-N80 PolarHBondContact O-N 2.92Å
78E80.4Confident86.6Confident115 Ų11546.5 Ų46.554%0.53723%0.228SC..Hα-helixtrans-61.9-27.5174.4-69.1-61.512400112.9F74 I75 N80 T215F74-E78 HydrophobicContact CE1-CG 4.37Å; F74-E78 HydrophobicContact CZ-CG 4.43Å; F74-E78 PolarHBondContact O-N 3.45Å; F74-E78 VanDerWaalsContact O-N 3.11Å; I75-E78 PolarHBondContact O-N 3.49Å; E78-N80 VanDerWaalsContact C-N 3.28Å; E78-N80 PolarHBondContact O-N 2.94Å; E78-T215 HydrophobicContact CG-CG2 4.35Å
79L79.4Confident87.3Confident42 Ų4240.5 Ų40.522%0.2220%0.204CC..THydrogen-bonded Turntrans-85.76.2175.3-66.1176.1000114L32 I36 I75 L76 E77 I81 R167L32-L79 HydrophobicContact CD1-CD1 4.22Å; I36-L79 HydrophobicContact CD1-CD1 4.43Å; I75-L79 HydrophobicContact CG2-CD1 3.98Å; I75-L79 HydrophobicContact CG2-CG 4.39Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.25Å; I75-L79 PolarHBondContact O-N 3.32Å; L76-L79 CarbonylContact O-C 3.52Å; L76-L79 PolarHBondContact O-N 3.12Å; E77-L79 PolarHBondContact O-N 3.42Å; L79-I81 HydrophobicContact CB-CD1 4.22Å; L79-I81 HydrophobicContact CB-CG1 4.22Å; L79-I81 PolarHBondContact O-N 3.34Å; L79-R167 PolarHBondContact O-NH2 3.34Å
80N83.8Confident87.9Confident114 Ų11442.6 Ų42.661%0.6122%0.218SC*.THydrogen-bonded Turntrans58.529.2-173.9-6713.9000114L76 E77 E78L76-N80 PolarHBondContact O-N 2.91Å; E77-N80 PolarHBondContact O-N 2.92Å; E78-N80 VanDerWaalsContact C-N 3.28Å; E78-N80 PolarHBondContact O-N 2.94Å
81I86.6Confident88.7Confident2 Ų244.7 Ų44.71%0.0123%0.226CC..  trans-99.492.6176.1-56176.3000108.4L5 I36 F39 L76 L79 E83 H86L5-I81 HydrophobicContact CD1-CG2 3.99Å; I36-I81 HydrophobicContact CD1-CD1 3.71Å; F39-I81 HydrophobicContact CD2-CG2 4.37Å; F39-I81 HydrophobicContact CE2-CG2 3.98Å; L76-I81 HydrophobicContact CB-CB 4.35Å; L76-I81 HydrophobicContact CD2-CB 4.16Å; L76-I81 HydrophobicContact CD2-CD1 3.94Å; L76-I81 HydrophobicContact CD2-CG2 4.3Å; L76-I81 PolarHBondContact O-N 3.28Å; L79-I81 HydrophobicContact CB-CD1 4.22Å; L79-I81 HydrophobicContact CB-CG1 4.22Å; L79-I81 PolarHBondContact O-N 3.34Å; I81-E83 PolarHBondContact O-N 2.85Å; I81-H86 WeakPolarHBondContact CG2-NE2 3.48Å
82S89.4Confident89.3Confident52 Ų5243 Ų4336%0.36422%0.218SC..  trans-67.5130.7-177.8-1760000112.8S84 F85S82-S84 PolarHBondContact O-N 2.71Å; S82-S84 VanDerWaalsContact O-N 3.08Å; S82-S84 PolarHBondContact OG-N 2.96Å; S82-S84 PolarHBondContact OG-OG 3.01Å; S82-F85 PolarHBondContact O-N 2.79Å; S82-F85 VanDerWaalsContact O-N 3.08Å
83E90Very high89.7Confident39 Ų3946.3 Ų46.318%0.18224%0.235CC..G310 helixtrans-54.9-27.5172.5-177-171.316700113.5R63 F66 R73 I81 F85 H86 F88R63-E83 IonicContact NH1-OE1 3.52Å; F66-E83 HydrophobicContact CD1-CG 3.76Å; F66-E83 HydrophobicContact CE1-CB 4.34Å; F66-E83 HydrophobicContact CE1-CG 3.8Å; R73-E83 IonicContact CZ-OE2 3.87Å; R73-E83 IonicContact NE-OE2 3.24Å; R73-E83 IonicContact NH1-OE1 2.63Å; R73-E83 PolarHBondContact NH1-OE1 3.48Å; R73-E83 IonicContact NH1-OE2 3.54Å; R73-E83 PolarHBondContact NH1-OE2 2.91Å; R73-E83 IonicContact NH2-OE2 3.71Å; R73-E83 PolarHBondContact NH2-OE2 3.25Å; I81-E83 PolarHBondContact O-N 2.85Å; E83-F85 PolarHBondContact O-N 2.87Å; E83-F85 VanDerWaalsContact O-N 3.07Å; E83-H86 WeakPolarHBondContact O-CB 3.48Å; E83-H86 PolarHBondContact O-N 3.29Å; E83-F88 HydrophobicContact CG-CE2 4.49Å; E83-F88 HydrophobicContact CG-CZ 4.36Å
84S90.4Very high90.2Very high68 Ų6844.2 Ų44.248%0.47623%0.228SC..G310 helixtrans-59.4-21.7179.166.30000113.2S82S82-S84 PolarHBondContact O-N 2.71Å; S82-S84 VanDerWaalsContact O-N 3.08Å; S82-S84 PolarHBondContact OG-N 2.96Å; S82-S84 PolarHBondContact OG-OG 3.01Å
85F91.8Very high90.8Very high49 Ų4944.9 Ų44.922%0.21523%0.231CC..G310 helixtrans-96.9-8.4178.7-50.6-37.4000113.5L5 Q6 S82 E83L5-F85 HydrophobicContact CB-CB 3.83Å; Q6-F85 HydrophobicContact CB-CD1 3.92Å; Q6-F85 HydrophobicContact CB-CD2 4.42Å; Q6-F85 HydrophobicContact CB-CE1 3.99Å; Q6-F85 HydrophobicContact CB-CE2 4.46Å; Q6-F85 HydrophobicContact CB-CG 4.15Å; Q6-F85 HydrophobicContact CB-CZ 4.26Å; Q6-F85 HydrophobicContact CG-CD1 3.98Å; Q6-F85 HydrophobicContact CG-CE1 3.69Å; Q6-F85 HydrophobicContact CG-CZ 4.17Å; S82-F85 PolarHBondContact O-N 2.79Å; S82-F85 VanDerWaalsContact O-N 3.08Å; E83-F85 PolarHBondContact O-N 2.87Å; E83-F85 VanDerWaalsContact O-N 3.07Å
86H95Very high91.3Very high1 Ų149.5 Ų49.51%0.00525%0.253CS..  trans-69.5143.5177.6-61.3166.7000111F39 L59 R63 F66 I81 E83 F88F39-H86 AromaticContact CE2-NE2 3.8Å; F39-H86 AromaticContact CZ-CD2 3.5Å; F39-H86 VanDerWaalsContact CZ-CD2 3.5Å; F39-H86 WeakPolarHBondContact CZ-CD2 3.43Å; F39-H86 AromaticContact CZ-NE2 3.52Å; L59-H86 HydrophobicContact CD1-CB 4.38Å; L59-H86 HydrophobicContact CD2-CB 4.34Å; R63-H86 PolarHBondContact NH2-O 2.97Å; F66-H86 AromaticContact CE1-ND1 3.7Å; F66-H86 AromaticContact CZ-ND1 3.89Å; I81-H86 WeakPolarHBondContact CG2-NE2 3.48Å; E83-H86 WeakPolarHBondContact O-CB 3.48Å; E83-H86 PolarHBondContact O-N 3.29Å; H86-F88 HydrophobicContact CB-CD2 4.31Å; H86-F88 HydrophobicContact CB-CE2 3.57Å; H86-F88 HydrophobicContact CB-CZ 3.93Å
87I97.1Very high91.8Very high1 Ų150 Ų501%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-108.9121.3173-59.9164.6000107.4K9 L12 L56 V58 L59 E91 I92K9-I87 HydrophobicContact CB-CG1 4.41Å; K9-I87 HydrophobicContact CD-CG1 3.64Å; L12-I87 HydrophobicContact CD2-CB 4.45Å; L12-I87 HydrophobicContact CD2-CD1 3.96Å; L12-I87 HydrophobicContact CD2-CG1 4.03Å; L12-I87 HydrophobicContact CD2-CG2 3.56Å; L56-I87 HydrophobicContact CB-CD1 4.21Å; L56-I87 HydrophobicContact CD2-CD1 3.75Å; L56-I87 HydrophobicContact CG-CD1 4.41Å; V58-I87 WeakPolarHBondContact CA-O 3.44Å; V58-I87 HydrophobicContact CG2-CG2 4.11Å; L59-I87 PolarHBondContact N-O 3.42Å; I87-E91 WeakPolarHBondContact CA-OE2 3.08Å; I87-I92 HydrophobicContact CG2-CG2 4.35Å
88F97.2Very high92.3Very high0 Ų046.3 Ų46.30%024%0.239CC..EExtended strand (participates in β ladder)trans-98.9161.9-178.5-68.7-88.8000111.9L59 I61 R63 F66 E83 H86 D90 E91L59-F88 HydrophobicContact CB-CD1 3.91Å; L59-F88 HydrophobicContact CB-CE1 4.12Å; L59-F88 HydrophobicContact CD2-CD1 4.23Å; L59-F88 HydrophobicContact CD2-CE1 3.58Å; L59-F88 HydrophobicContact CD2-CZ 3.94Å; L59-F88 HydrophobicContact CG-CE1 4.49Å; I61-F88 HydrophobicContact CD1-CE1 4.34Å; I61-F88 HydrophobicContact CG1-CD1 4.02Å; I61-F88 HydrophobicContact CG1-CE1 4.24Å; I61-F88 WeakPolarHBondContact O-CB 3.4Å; I61-F88 WeakPolarHBondContact O-CD1 3.41Å; R63-F88 VanDerWaalsContact CA-CG 3.49Å; R63-F88 HydrophobicContact CB-CB 4.01Å; R63-F88 HydrophobicContact CB-CD1 4.26Å; R63-F88 HydrophobicContact CB-CD2 3.69Å; R63-F88 HydrophobicContact CB-CE2 4.22Å; R63-F88 HydrophobicContact CB-CG 3.7Å; R63-F88 HydrophobicContact CG-CD2 3.92Å; R63-F88 HydrophobicContact CG-CE2 3.99Å; R63-F88 HydrophobicContact CG-CG 4.38Å; R63-F88 VanDerWaalsContact NH2-CD2 3.31Å; F66-F88 HydrophobicContact CB-CE1 3.51Å; F66-F88 HydrophobicContact CB-CZ 3.77Å; F66-F88 HydrophobicContact CD1-CE1 4.1Å; F66-F88 AromaticContact CD1-CZ 3.65Å; F66-F88 HydrophobicContact CD1-CZ 3.65Å; F66-F88 HydrophobicContact CD2-CE1 4Å; F66-F88 HydrophobicContact CD2-CZ 4.35Å; F66-F88 HydrophobicContact CE1-CZ 4.28Å; F66-F88 AromaticContact CG-CE1 3.61Å; F66-F88 HydrophobicContact CG-CE1 3.61Å; F66-F88 AromaticContact CG-CZ 3.67Å; F66-F88 HydrophobicContact CG-CZ 3.67Å; E83-F88 HydrophobicContact CG-CE2 4.49Å; E83-F88 HydrophobicContact CG-CZ 4.36Å; H86-F88 HydrophobicContact CB-CD2 4.31Å; H86-F88 HydrophobicContact CB-CE2 3.57Å; H86-F88 HydrophobicContact CB-CZ 3.93Å; F88-D90 WeakPolarHBondContact CB-OD1 3.41Å; F88-D90 PolarHBondContact O-N 2.69Å; F88-E91 HydrophobicContact CB-CG 4.16Å; F88-E91 PolarHBondContact N-OE2 2.97Å; F88-E91 WeakPolarHBondContact O-CB 3.33Å; F88-E91 PolarHBondContact O-N 3.39Å
89R95.5Very high93.1Very high40 Ų4047.2 Ų47.215%0.15125%0.248CC..G310 helixtrans-59-31.7-175.6-174.865.9-17889.7-0.4112.8L59 I61 E91 I92 L94 H95 D117L59-R89 PolarHBondContact O-N 3.34Å; I61-R89 PolarHBondContact O-N 3.22Å; R89-E91 VanDerWaalsContact C-N 3.34Å; R89-I92 VanDerWaalsContact O-O 3.13Å; R89-L94 VanDerWaalsContact CZ-CD1 3.49Å; R89-L94 VanDerWaalsContact NH1-CG 3.3Å; R89-H95 PolarHBondContact NH2-NE2 2.92Å; R89-D117 IonicContact CZ-OD1 3.96Å; R89-D117 IonicContact CZ-OD2 2.66Å; R89-D117 IonicContact NE-OD2 3.74Å; R89-D117 IonicContact NH2-OD1 2.67Å; R89-D117 PolarHBondContact NH2-OD1 3.34Å; R89-D117 IonicContact NH2-OD2 3.47Å; R89-D117 PolarHBondContact NH2-OD2 3.18Å
90D95.5Very high93.8Very high91 Ų9149.5 Ų49.549%0.48726%0.257SS..G310 helixtrans-82.5-7.9179.161.1-32.7000113.8P62 R63 F88P62-D90 WeakPolarHBondContact CA-OD1 3.41Å; P62-D90 HydrophobicContact CB-CB 4.41Å; R63-D90 PolarHBondContact N-OD1 3.29Å; R63-D90 PolarHBondContact N-OD2 2.87Å; F88-D90 WeakPolarHBondContact CB-OD1 3.41Å; F88-D90 PolarHBondContact O-N 2.69Å
91E95.9Very high94.4Very high64 Ų6447.4 Ų47.430%0.29926%0.263SS..G310 helixtrans-95.7-5179.1-59.2-179131.200113K9 R63 I87 F88 R89K9-E91 IonicContact NZ-OE1 3.7Å; K9-E91 PolarHBondContact NZ-OE1 3.15Å; K9-E91 IonicContact NZ-OE2 3.27Å; K9-E91 PolarHBondContact NZ-OE2 2.85Å; R63-E91 IonicContact CZ-OE1 2.76Å; R63-E91 VanDerWaalsContact CZ-OE1 3.24Å; R63-E91 IonicContact NE-OE1 2.79Å; R63-E91 PolarHBondContact NE-OE1 2.85Å; R63-E91 IonicContact NH2-OE1 3.97Å; R63-E91 PolarHBondContact NH2-OE1 2.84Å; R63-E91 IonicContact NH2-OE2 3.58Å; R63-E91 PolarHBondContact NH2-OE2 3.24Å; I87-E91 WeakPolarHBondContact CA-OE2 3.08Å; F88-E91 HydrophobicContact CB-CG 4.16Å; F88-E91 PolarHBondContact N-OE2 2.97Å; F88-E91 WeakPolarHBondContact O-CB 3.33Å; F88-E91 PolarHBondContact O-N 3.39Å; R89-E91 VanDerWaalsContact C-N 3.34Å
92I95.5Very high94.9Very high11 Ų1149.8 Ų49.86%0.05627%0.273CS..SBendtrans-140.9126179.8-172.7171.7000111.4L12 V21 V23 L56 V58 I87 R89 L94 L97L12-I92 HydrophobicContact CD1-CD1 4.27Å; L12-I92 HydrophobicContact CD1-CG1 4.45Å; V21-I92 HydrophobicContact CG1-CD1 4.4Å; V23-I92 HydrophobicContact CG2-CD1 4.21Å; L56-I92 HydrophobicContact CD1-CD1 3.54Å; V58-I92 HydrophobicContact CG1-CG2 4.14Å; V58-I92 HydrophobicContact CG2-CG2 4.01Å; I87-I92 HydrophobicContact CG2-CG2 4.35Å; R89-I92 VanDerWaalsContact O-O 3.13Å; I92-L94 HydrophobicContact CD1-CD2 3.99Å; I92-L94 HydrophobicContact CG1-CD2 4.02Å; I92-L94 HydrophobicContact CG2-CD2 3.96Å; I92-L94 HydrophobicContact CG2-CG 4.4Å; I92-L94 PolarHBondContact O-N 2.93Å; I92-L94 VanDerWaalsContact O-N 3.15Å; I92-L97 HydrophobicContact CD1-CD1 3.8Å; I92-L97 HydrophobicContact CG1-CD1 3.88Å
93N95.1Very high95.3Very high85 Ų8548 Ų4846%0.45526%0.259SS..  trans-85.588.5177.8-168.9-18000111.1H95 Q96 L97N93-H95 VanDerWaalsContact C-N 3.35Å; N93-H95 PolarHBondContact O-N 3.26Å; N93-H95 PolarHBondContact OD1-N 2.71Å; N93-Q96 HydrophobicContact CB-CB 4.01Å; N93-Q96 VanDerWaalsContact CG-CB 3.45Å; N93-Q96 PolarHBondContact O-N 2.78Å; N93-Q96 PolarHBondContact OD1-N 2.6Å; N93-L97 WeakPolarHBondContact O-CG 3.47Å; N93-L97 PolarHBondContact O-N 3.09Å
94L96.3Very high95.7Very high2 Ų248.1 Ų48.11%0.0127%0.265CS..Hα-helixtrans-62.7-37.8178.7-58.8-172.9000113V23 I25 R89 I92 Q96 L97 N98 L103 L120V23-L94 HydrophobicContact CB-CD2 4.44Å; V23-L94 HydrophobicContact CG1-CD2 4.4Å; V23-L94 HydrophobicContact CG2-CD2 3.73Å; I25-L94 HydrophobicContact CD1-CD1 4.34Å; R89-L94 VanDerWaalsContact CZ-CD1 3.49Å; R89-L94 VanDerWaalsContact NH1-CG 3.3Å; I92-L94 HydrophobicContact CD1-CD2 3.99Å; I92-L94 HydrophobicContact CG1-CD2 4.02Å; I92-L94 HydrophobicContact CG2-CD2 3.96Å; I92-L94 HydrophobicContact CG2-CG 4.4Å; I92-L94 PolarHBondContact O-N 2.93Å; I92-L94 VanDerWaalsContact O-N 3.15Å; L94-Q96 PolarHBondContact O-N 2.82Å; L94-L97 PolarHBondContact O-N 2.56Å; L94-N98 WeakPolarHBondContact O-CB 3.32Å; L94-N98 PolarHBondContact O-N 3.43Å; L94-L103 HydrophobicContact CB-CD2 4.03Å; L94-L103 HydrophobicContact CD2-CD1 4.12Å; L94-L103 HydrophobicContact CD2-CD2 4.47Å; L94-L103 WeakPolarHBondContact O-CD2 3.4Å; L94-L120 HydrophobicContact CB-CD1 3.78Å; L94-L120 HydrophobicContact CB-CD2 4.3Å; L94-L120 HydrophobicContact CD1-CD1 4.15Å
95H95.7Very high96.1Very high58 Ų5845 Ų4527%0.26924%0.242SC..Hα-helixtrans-64.3-44.7179.7-59.9-86.5000111.2R89 N93 L97 N98 D99 D117 T119R89-H95 PolarHBondContact NH2-NE2 2.92Å; N93-H95 VanDerWaalsContact C-N 3.35Å; N93-H95 PolarHBondContact O-N 3.26Å; N93-H95 PolarHBondContact OD1-N 2.71Å; H95-L97 VanDerWaalsContact C-N 3.34Å; H95-L97 PolarHBondContact O-N 3.4Å; H95-N98 WeakPolarHBondContact O-CB 3.29Å; H95-N98 PolarHBondContact O-N 3.21Å; H95-N98 VanDerWaalsContact O-N 3.16Å; H95-D99 PolarHBondContact O-N 2.81Å; H95-D117 IonicContact CE1-OD1 3.56Å; H95-D117 IonicContact NE2-OD1 3.27Å; H95-D117 PolarHBondContact NE2-OD1 2.82Å; H95-T119 PolarHBondContact ND1-OG1 2.99Å; H95-T119 VanDerWaalsContact ND1-OG1 3.15Å
96Q95.2Very high96.4Very high99 Ų9942.7 Ų42.746%0.46323%0.232SC..Hα-helixtrans-60-43.5175-178.7-177.6-2.800112.1N93 L94 N98 D99 E100N93-Q96 HydrophobicContact CB-CB 4.01Å; N93-Q96 VanDerWaalsContact CG-CB 3.45Å; N93-Q96 PolarHBondContact O-N 2.78Å; N93-Q96 PolarHBondContact OD1-N 2.6Å; L94-Q96 PolarHBondContact O-N 2.82Å; Q96-N98 VanDerWaalsContact C-N 3.28Å; Q96-N98 PolarHBondContact O-N 2.58Å; Q96-D99 PolarHBondContact O-N 2.74Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.33Å; Q96-E100 PolarHBondContact NE2-OE1 2.75Å; Q96-E100 WeakPolarHBondContact O-CB 3.32Å; Q96-E100 VanDerWaalsContact O-CG 3.31Å; Q96-E100 WeakPolarHBondContact O-CG 3.04Å; Q96-E100 PolarHBondContact O-N 3.32Å
97L96.5Very high96.5Very high12 Ų1243 Ų436%0.06323%0.234CC..Hα-helixtrans-63.9-35.8177.6-70.5171.3000112.3L18 V21 I92 N93 L94 H95 G101 K102 L103L18-L97 HydrophobicContact CB-CD2 4.11Å; L18-L97 HydrophobicContact CD1-CD1 4.44Å; L18-L97 HydrophobicContact CD1-CD2 4.15Å; V21-L97 HydrophobicContact CB-CD1 4.22Å; V21-L97 HydrophobicContact CG1-CD1 4.28Å; V21-L97 HydrophobicContact CG2-CD1 4.1Å; V21-L97 HydrophobicContact CG2-CD2 4.01Å; I92-L97 HydrophobicContact CD1-CD1 3.8Å; I92-L97 HydrophobicContact CG1-CD1 3.88Å; N93-L97 WeakPolarHBondContact O-CG 3.47Å; N93-L97 PolarHBondContact O-N 3.09Å; L94-L97 PolarHBondContact O-N 2.56Å; H95-L97 VanDerWaalsContact C-N 3.34Å; H95-L97 PolarHBondContact O-N 3.4Å; L97-G101 PolarHBondContact O-N 3.19Å; L97-K102 HydrophobicContact CD2-CB 4.4Å; L97-K102 PolarHBondContact O-N 2.86Å; L97-L103 HydrophobicContact CB-CB 3.94Å; L97-L103 HydrophobicContact CB-CD1 4.37Å; L97-L103 HydrophobicContact CD1-CD1 4.42Å; L97-L103 PolarHBondContact O-N 3.23Å
98N96.9Very high96.4Very high28 Ų2843 Ų4315%0.1523%0.234CC..Hα-helixtrans-67.7-46.7175.2-170.650.9000111.5L94 H95 Q96 E100 G101 L103 T119 L120 A123L94-N98 WeakPolarHBondContact O-CB 3.32Å; L94-N98 PolarHBondContact O-N 3.43Å; H95-N98 WeakPolarHBondContact O-CB 3.29Å; H95-N98 PolarHBondContact O-N 3.21Å; H95-N98 VanDerWaalsContact O-N 3.16Å; Q96-N98 VanDerWaalsContact C-N 3.28Å; Q96-N98 PolarHBondContact O-N 2.58Å; N98-E100 PolarHBondContact O-N 2.78Å; N98-G101 WeakPolarHBondContact O-CA 3.22Å; N98-G101 PolarHBondContact O-N 2.92Å; N98-L103 HydrophobicContact CB-CB 4.35Å; N98-L103 HydrophobicContact CB-CD2 4.03Å; N98-T119 PolarHBondContact ND2-O 3.15Å; N98-L120 HydrophobicContact CB-CD2 3.71Å; N98-A123 WeakPolarHBondContact OD1-CB 3.22Å
99D95.8Very high95.9Very high134 Ų13443.9 Ų43.972%0.71724%0.244SC*.Hα-helixtrans-61.2-33.7178-65.9-18.8000111.9H95 Q96 G101H95-D99 PolarHBondContact O-N 2.81Å; Q96-D99 PolarHBondContact O-N 2.74Å; D99-G101 VanDerWaalsContact C-N 3.25Å; D99-G101 PolarHBondContact O-N 3.39Å
100E95.4Very high95.4Very high89 Ų8943.7 Ų43.742%0.41625%0.248SC..THydrogen-bonded Turntrans-78.6-4.1174.6-69.1178.4-162.500113.5Q96 N98 K102Q96-E100 WeakPolarHBondContact CG-OE1 3.33Å; Q96-E100 PolarHBondContact NE2-OE1 2.75Å; Q96-E100 WeakPolarHBondContact O-CB 3.32Å; Q96-E100 VanDerWaalsContact O-CG 3.31Å; Q96-E100 WeakPolarHBondContact O-CG 3.04Å; Q96-E100 PolarHBondContact O-N 3.32Å; N98-E100 PolarHBondContact O-N 2.78Å; E100-K102 HydrophobicContact CB-CD 3.82Å; E100-K102 HydrophobicContact CB-CG 3.88Å; E100-K102 WeakPolarHBondContact O-CG 3.47Å; E100-K102 WeakPolarHBondContact OE2-CD 3.27Å; E100-K102 VanDerWaalsContact OE2-CE 3.24Å; E100-K102 WeakPolarHBondContact OE2-CE 3.41Å; E100-K102 IonicContact OE2-NZ 2.67Å; E100-K102 PolarHBondContact OE2-NZ 2.63Å
101G96.2Very high94.8Very high71 Ų7141.3 Ų41.373%0.73224%0.239SC*.THydrogen-bonded Turntrans71.626.5-179.300000114.2L97 N98 D99L97-G101 PolarHBondContact O-N 3.19Å; N98-G101 WeakPolarHBondContact O-CA 3.22Å; N98-G101 PolarHBondContact O-N 2.92Å; D99-G101 VanDerWaalsContact C-N 3.25Å; D99-G101 PolarHBondContact O-N 3.39Å
102K96.8Very high94.1Very high52 Ų5242.9 Ų42.923%0.22625%0.253CS..  trans-109.7-9.8-170.6-61-178.3174.9172.30114.3L18 E19 V21 L97 E100L18-K102 VanDerWaalsContact O-CD 3.24Å; L18-K102 WeakPolarHBondContact O-CD 3.47Å; L18-K102 WeakPolarHBondContact O-CE 3.26Å; L18-K102 PolarHBondContact O-NZ 2.93Å; E19-K102 VanDerWaalsContact O-CB 3.24Å; E19-K102 WeakPolarHBondContact O-CB 3.43Å; E19-K102 VanDerWaalsContact O-CD 3.26Å; E19-K102 WeakPolarHBondContact O-CD 3.07Å; E19-K102 WeakPolarHBondContact O-CG 3.47Å; V21-K102 PolarHBondContact N-O 2.92Å; L97-K102 HydrophobicContact CD2-CB 4.4Å; L97-K102 PolarHBondContact O-N 2.86Å; E100-K102 HydrophobicContact CB-CD 3.82Å; E100-K102 HydrophobicContact CB-CG 3.88Å; E100-K102 WeakPolarHBondContact O-CG 3.47Å; E100-K102 WeakPolarHBondContact OE2-CD 3.27Å; E100-K102 VanDerWaalsContact OE2-CE 3.24Å; E100-K102 WeakPolarHBondContact OE2-CE 3.41Å; E100-K102 IonicContact OE2-NZ 2.67Å; E100-K102 PolarHBondContact OE2-NZ 2.63Å
103L98.2Very high93.7Very high13 Ų1343.2 Ų43.27%0.06825%0.254CS..EExtended strand (participates in β ladder)trans-96.9131-170.8-173.863.4000111.9V23 L94 L97 N98 I105 L120 A123V23-L103 HydrophobicContact CB-CD1 4.19Å; V23-L103 HydrophobicContact CG2-CD1 3.75Å; L94-L103 HydrophobicContact CB-CD2 4.03Å; L94-L103 HydrophobicContact CD2-CD1 4.12Å; L94-L103 HydrophobicContact CD2-CD2 4.47Å; L94-L103 WeakPolarHBondContact O-CD2 3.4Å; L97-L103 HydrophobicContact CB-CB 3.94Å; L97-L103 HydrophobicContact CB-CD1 4.37Å; L97-L103 HydrophobicContact CD1-CD1 4.42Å; L97-L103 PolarHBondContact O-N 3.23Å; N98-L103 HydrophobicContact CB-CB 4.35Å; N98-L103 HydrophobicContact CB-CD2 4.03Å; L103-I105 HydrophobicContact CD1-CG1 4.18Å; L103-I105 HydrophobicContact CD2-CD1 3.77Å; L103-I105 HydrophobicContact CD2-CG1 3.89Å; L103-I105 HydrophobicContact CG-CD1 4.29Å; L103-I105 HydrophobicContact CG-CG1 3.84Å; L103-L120 HydrophobicContact CD2-CD2 4.14Å; L103-A123 HydrophobicContact CB-CB 4.28Å; L103-A123 HydrophobicContact CD2-CB 4.12Å; L103-A123 HydrophobicContact CG-CB 4.04Å; L103-A123 WeakPolarHBondContact O-CB 3.33Å
104S98.3Very high93.3Very high43 Ų4340.6 Ų40.630%0.30125%0.245SC..EExtended strand (participates in β ladder)trans-118.9143.6158.5-59.60000109V21 H22 V23 A123V21-S104 PolarHBondContact O-N 2.93Å; H22-S104 CarbonylContact C-O 3.55Å; H22-S104 WeakPolarHBondContact CA-O 3.13Å; V23-S104 PolarHBondContact N-O 3.08Å; S104-A123 CarbonylContact C-O 3.58Å; S104-A123 WeakPolarHBondContact CA-O 3.23Å
105I98.3Very high92.7Very high1 Ų145.8 Ų45.81%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-124.6130.7-179.4-57.1178.4000109.9V23 I25 L103 L107 L120 A123 V124 V125 K126V23-I105 CarbonylContact O-C 3.59Å; V23-I105 VanDerWaalsContact O-CA 3.3Å; V23-I105 WeakPolarHBondContact O-CA 3.24Å; I25-I105 HydrophobicContact CG2-CG2 3.7Å; L103-I105 HydrophobicContact CD1-CG1 4.18Å; L103-I105 HydrophobicContact CD2-CD1 3.77Å; L103-I105 HydrophobicContact CD2-CG1 3.89Å; L103-I105 HydrophobicContact CG-CD1 4.29Å; L103-I105 HydrophobicContact CG-CG1 3.84Å; I105-L107 HydrophobicContact CG2-CD2 3.68Å; I105-L107 HydrophobicContact CG2-CG 4.36Å; I105-L120 HydrophobicContact CD1-CB 3.84Å; I105-L120 HydrophobicContact CD1-CD1 4.37Å; I105-A123 HydrophobicContact CD1-CB 4.08Å; I105-A123 HydrophobicContact CG1-CB 4.03Å; I105-A123 PolarHBondContact N-O 3.29Å; I105-V124 HydrophobicContact CB-CG2 4.18Å; I105-V124 HydrophobicContact CG2-CG2 4.26Å; I105-V124 CarbonylContact O-C 3.59Å; I105-V124 WeakPolarHBondContact O-CA 3.45Å; I105-V125 WeakPolarHBondContact O-CG2 3.3Å; I105-V125 PolarHBondContact O-N 3.39Å; I105-K126 PolarHBondContact O-N 3.36Å
106T98Very high92.3Very high1 Ų147.8 Ų47.81%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-106.9122.8159.1-62.20000109.4H22 V23 V24 I25 Y41 V108 K126 I128H22-T106 PolarHBondContact NE2-OG1 3.01Å; V23-T106 PolarHBondContact O-N 3.27Å; V24-T106 WeakPolarHBondContact CA-O 3.37Å; I25-T106 PolarHBondContact N-O 3.37Å; Y41-T106 HydrophobicContact CD1-CG2 3.85Å; Y41-T106 HydrophobicContact CE1-CG2 3.58Å; T106-V108 HydrophobicContact CG2-CG2 4.13Å; T106-K126 CarbonylContact C-O 3.54Å; T106-K126 VanDerWaalsContact CA-O 3.3Å; T106-K126 WeakPolarHBondContact CA-O 3.32Å; T106-K126 HydrophobicContact CG2-CB 3.95Å; T106-K126 HydrophobicContact CG2-CG 4.07Å; T106-I128 HydrophobicContact CG2-CD1 4.23Å; T106-I128 HydrophobicContact CG2-CG1 4.31Å
107L96.6Very high92.1Very high8 Ų843.3 Ų43.34%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-86.1134.9171.5-55.6-178.5000109.8I25 I105 S110 L113 V124 K126 V127 I128I25-L107 HydrophobicContact CG2-CD2 3.45Å; I25-L107 VanDerWaalsContact CG2-CD2 3.45Å; I105-L107 HydrophobicContact CG2-CD2 3.68Å; I105-L107 HydrophobicContact CG2-CG 4.36Å; L107-S110 WeakPolarHBondContact CB-O 3.35Å; L107-L113 HydrophobicContact CD1-CG 4.23Å; L107-L113 HydrophobicContact CD2-CD2 3.66Å; L107-L113 HydrophobicContact CD2-CG 4.16Å; L107-V124 HydrophobicContact CD1-CG1 4.15Å; L107-V124 HydrophobicContact CD1-CG2 4.27Å; L107-V124 HydrophobicContact CG-CG1 4.06Å; L107-V124 HydrophobicContact CG-CG2 4.32Å; L107-K126 PolarHBondContact N-O 3.07Å; L107-V127 HydrophobicContact CB-CG1 4.46Å; L107-V127 HydrophobicContact CB-CG2 4.31Å; L107-V127 HydrophobicContact CD1-CG2 4.2Å; L107-V127 HydrophobicContact CG-CG2 4.48Å; L107-V127 CarbonylContact O-C 3.59Å; L107-V127 WeakPolarHBondContact O-CA 3.43Å; L107-I128 PolarHBondContact O-N 3.47Å
108V94.9Very high91.8Very high0 Ų049.1 Ų49.10%030%0.295CS..EExtended strand (participates in β ladder)trans-127.1131.2176.7-178.60000109.2V24 I25 G26 P27 T106 S110 I128 V148V24-V108 HydrophobicContact CG1-CB 4.49Å; V24-V108 HydrophobicContact CG1-CG2 3.5Å; V24-V108 VanDerWaalsContact CG1-CG2 3.5Å; I25-V108 PolarHBondContact O-N 3.08Å; G26-V108 WeakPolarHBondContact CA-O 3.27Å; P27-V108 WeakPolarHBondContact CD-O 3.5Å; T106-V108 HydrophobicContact CG2-CG2 4.13Å; V108-S110 PolarHBondContact O-N 2.94Å; V108-S110 VanDerWaalsContact O-N 3.12Å; V108-I128 CarbonylContact C-O 3.59Å; V108-I128 WeakPolarHBondContact CA-O 3.44Å; V108-I128 HydrophobicContact CG2-CB 4.37Å; V108-I128 HydrophobicContact CG2-CD1 4.47Å; V108-V148 HydrophobicContact CG1-CG2 4.21Å
109G88Confident91.6Very high20 Ų2052 Ų5221%0.20631%0.313CS..SBendtrans70.9-0.1179.800000115.6I128 S144G109-I128 PolarHBondContact N-O 3.47Å; G109-S144 WeakPolarHBondContact CA-OG 3.45Å
110S85.3Confident91.6Very high35 Ų3545.7 Ų45.725%0.24528%0.279CS..  trans-139.7145.7170.4-176.70000109.5L107 V108 V112L107-S110 WeakPolarHBondContact CB-O 3.35Å; V108-S110 PolarHBondContact O-N 2.94Å; V108-S110 VanDerWaalsContact O-N 3.12Å; S110-V112 PolarHBondContact OG-N 3.16Å; S110-V112 PolarHBondContact OG-O 3.02Å
111S82.1Confident91.6Very high42 Ų4246.1 Ų46.129%0.29428%0.282SS..SBendtrans-96.2-11.9172.543.50000113.9N129 E132S111-N129 WeakPolarHBondContact CB-ND2 3.14Å; S111-N129 PolarHBondContact N-ND2 2.95Å; S111-N129 VanDerWaalsContact N-ND2 3.19Å; S111-N129 PolarHBondContact OG-ND2 3.39Å; S111-N129 VanDerWaalsContact OG-ND2 3.12Å; S111-E132 WeakPolarHBondContact CB-OE1 3.22Å
112V81.9Confident91.5Very high97 Ų9747.6 Ų47.659%0.58828%0.281SS*.SBendtrans-133.3138.9-170-169.70000110S110S110-V112 PolarHBondContact OG-N 3.16Å; S110-V112 PolarHBondContact OG-O 3.02Å
113L86.7Confident91.5Very high17 Ų1745.4 Ų45.49%0.08927%0.272CS..  trans-78.6149.4169.6-74.4170.3000110.1L107 D117 L120 E121 V124L107-L113 HydrophobicContact CD1-CG 4.23Å; L107-L113 HydrophobicContact CD2-CD2 3.66Å; L107-L113 HydrophobicContact CD2-CG 4.16Å; L113-D117 HydrophobicContact CB-CB 4.01Å; L113-D117 HydrophobicContact CD1-CB 4.48Å; L113-D117 HydrophobicContact CD2-CB 4.21Å; L113-D117 HydrophobicContact CG-CB 4.48Å; L113-L120 HydrophobicContact CD1-CB 3.91Å; L113-E121 HydrophobicContact CD1-CG 4.28Å; L113-V124 HydrophobicContact CD1-CG2 3.78Å; L113-V124 HydrophobicContact CG-CG2 4.49Å
114A85.3Confident91.5Very high31 Ų3146.7 Ų46.726%0.25628%0.281SS..  trans-63.8158.9174.700000110.7E116 D117 K118A114-E116 HydrophobicContact CB-CG 4.14Å; A114-E116 WeakPolarHBondContact CB-OE1 3.33Å; A114-E116 VanDerWaalsContact CB-OE2 3.24Å; A114-E116 WeakPolarHBondContact CB-OE2 3.3Å; A114-E116 PolarHBondContact O-N 3.31Å; A114-E116 VanDerWaalsContact O-N 3.1Å; A114-D117 WeakPolarHBondContact O-CA 3.46Å; A114-D117 PolarHBondContact O-N 3.26Å; A114-K118 PolarHBondContact O-N 3.07Å
115S84.7Confident91.4Very high110 Ų11048.9 Ų48.977%0.76929%0.292SS*.G310 helixtrans-54.9-34-175.247.10000114D117 K118S115-D117 PolarHBondContact O-N 3.25Å; S115-K118 WeakPolarHBondContact O-CB 3.42Å; S115-K118 PolarHBondContact O-N 2.86Å
116E86.8Confident91.3Very high101 Ų10152.3 Ų52.347%0.47231%0.307SS..G310 helixtrans-65.3-25.8175.857.8-92.3-145.600113.4K28 A114K28-E116 IonicContact NZ-OE1 2.93Å; K28-E116 PolarHBondContact NZ-OE1 3Å; A114-E116 HydrophobicContact CB-CG 4.14Å; A114-E116 WeakPolarHBondContact CB-OE1 3.33Å; A114-E116 VanDerWaalsContact CB-OE2 3.24Å; A114-E116 WeakPolarHBondContact CB-OE2 3.3Å; A114-E116 PolarHBondContact O-N 3.31Å; A114-E116 VanDerWaalsContact O-N 3.1Å
117D91.6Very high91.2Very high5 Ų554.2 Ų54.23%0.02732%0.318CS..G310 helixtrans-102.910-176.1-76.9-21.4000112.5R89 H95 L113 A114 S115 T119 L120R89-D117 IonicContact CZ-OD1 3.96Å; R89-D117 IonicContact CZ-OD2 2.66Å; R89-D117 IonicContact NE-OD2 3.74Å; R89-D117 IonicContact NH2-OD1 2.67Å; R89-D117 PolarHBondContact NH2-OD1 3.34Å; R89-D117 IonicContact NH2-OD2 3.47Å; R89-D117 PolarHBondContact NH2-OD2 3.18Å; H95-D117 IonicContact CE1-OD1 3.56Å; H95-D117 IonicContact NE2-OD1 3.27Å; H95-D117 PolarHBondContact NE2-OD1 2.82Å; L113-D117 HydrophobicContact CB-CB 4.01Å; L113-D117 HydrophobicContact CD1-CB 4.48Å; L113-D117 HydrophobicContact CD2-CB 4.21Å; L113-D117 HydrophobicContact CG-CB 4.48Å; A114-D117 WeakPolarHBondContact O-CA 3.46Å; A114-D117 PolarHBondContact O-N 3.26Å; S115-D117 PolarHBondContact O-N 3.25Å; D117-T119 PolarHBondContact O-N 2.98Å; D117-T119 VanDerWaalsContact O-N 3.09Å; D117-L120 HydrophobicContact CB-CD1 3.99Å; D117-L120 HydrophobicContact CB-CG 4.47Å; D117-L120 WeakPolarHBondContact O-CA 3.26Å; D117-L120 VanDerWaalsContact O-CB 3.27Å; D117-L120 WeakPolarHBondContact O-CB 3.33Å; D117-L120 PolarHBondContact O-N 3.22Å
118K90.2Very high91Very high134 Ų13454.1 Ų54.158%0.58332%0.318SS*.G310 helixtrans-55.1-33.1-178.3-169.5174.2-174.6176.60113.3A114 S115 L120 E121A114-K118 PolarHBondContact O-N 3.07Å; S115-K118 WeakPolarHBondContact O-CB 3.42Å; S115-K118 PolarHBondContact O-N 2.86Å; K118-L120 PolarHBondContact O-N 3.01Å; K118-E121 WeakPolarHBondContact O-CB 3.44Å; K118-E121 VanDerWaalsContact O-CG 3.31Å; K118-E121 WeakPolarHBondContact O-CG 3.31Å; K118-E121 PolarHBondContact O-N 3.15Å
119T92.7Very high90.6Very high88 Ų8854.6 Ų54.654%0.5432%0.32SS..G310 helixtrans-66.4-18.117761.10000113.4H95 N98 D117H95-T119 PolarHBondContact ND1-OG1 2.99Å; H95-T119 VanDerWaalsContact ND1-OG1 3.15Å; N98-T119 PolarHBondContact ND2-O 3.15Å; D117-T119 PolarHBondContact O-N 2.98Å; D117-T119 VanDerWaalsContact O-N 3.09Å
120L96Very high89.9Confident1 Ų154.3 Ų54.31%0.00532%0.315CS..G310 helixtrans-87.5-5.5179.4-53.3178.1000112.4L94 N98 L103 I105 L113 D117 K118 S122 A123L94-L120 HydrophobicContact CB-CD1 3.78Å; L94-L120 HydrophobicContact CB-CD2 4.3Å; L94-L120 HydrophobicContact CD1-CD1 4.15Å; N98-L120 HydrophobicContact CB-CD2 3.71Å; L103-L120 HydrophobicContact CD2-CD2 4.14Å; I105-L120 HydrophobicContact CD1-CB 3.84Å; I105-L120 HydrophobicContact CD1-CD1 4.37Å; L113-L120 HydrophobicContact CD1-CB 3.91Å; D117-L120 HydrophobicContact CB-CD1 3.99Å; D117-L120 HydrophobicContact CB-CG 4.47Å; D117-L120 WeakPolarHBondContact O-CA 3.26Å; D117-L120 VanDerWaalsContact O-CB 3.27Å; D117-L120 WeakPolarHBondContact O-CB 3.33Å; D117-L120 PolarHBondContact O-N 3.22Å; K118-L120 PolarHBondContact O-N 3.01Å; L120-S122 PolarHBondContact O-N 2.88Å; L120-A123 WeakPolarHBondContact O-CB 3.42Å; L120-A123 PolarHBondContact O-N 2.91Å
121E94.4Very high89Confident99 Ų9955.6 Ų55.646%0.46332%0.321SS..G310 helixtrans-54.4-36.6177.9-75.6176.8176.400111.9L113 K118 A123 V124L113-E121 HydrophobicContact CD1-CG 4.28Å; K118-E121 WeakPolarHBondContact O-CB 3.44Å; K118-E121 VanDerWaalsContact O-CG 3.31Å; K118-E121 WeakPolarHBondContact O-CG 3.31Å; K118-E121 PolarHBondContact O-N 3.15Å; E121-A123 PolarHBondContact O-N 3.36Å; E121-V124 WeakPolarHBondContact O-CB 3.42Å; E121-V124 PolarHBondContact O-N 3.18Å; E121-V124 VanDerWaalsContact O-N 3.08Å
122S94.7Very high87.7Confident102 Ų10259 Ų5971%0.71333%0.332SS*.G310 helixtrans-64.8-20.3177.259.20000114.2L120L120-S122 PolarHBondContact O-N 2.88Å
123A97.4Very high86.3Confident5 Ų560.5 Ų60.54%0.04133%0.333CS..G310 helixtrans-90.7-10.2176.400000112.7N98 L103 S104 I105 L120 E121 V125N98-A123 WeakPolarHBondContact OD1-CB 3.22Å; L103-A123 HydrophobicContact CB-CB 4.28Å; L103-A123 HydrophobicContact CD2-CB 4.12Å; L103-A123 HydrophobicContact CG-CB 4.04Å; L103-A123 WeakPolarHBondContact O-CB 3.33Å; S104-A123 CarbonylContact C-O 3.58Å; S104-A123 WeakPolarHBondContact CA-O 3.23Å; I105-A123 HydrophobicContact CD1-CB 4.08Å; I105-A123 HydrophobicContact CG1-CB 4.03Å; I105-A123 PolarHBondContact N-O 3.29Å; L120-A123 WeakPolarHBondContact O-CB 3.42Å; L120-A123 PolarHBondContact O-N 2.91Å; E121-A123 PolarHBondContact O-N 3.36Å; A123-V125 PolarHBondContact O-N 2.89Å; A123-V125 VanDerWaalsContact O-N 3.14Å
124V97.1Very high84.3Confident41 Ų4162.7 Ų62.725%0.24835%0.35CS..EExtended strand (participates in β ladder)trans-71.6110.1178.9-178.70000109.2I105 L107 L113 E121 V127I105-V124 HydrophobicContact CB-CG2 4.18Å; I105-V124 HydrophobicContact CG2-CG2 4.26Å; I105-V124 CarbonylContact O-C 3.59Å; I105-V124 WeakPolarHBondContact O-CA 3.45Å; L107-V124 HydrophobicContact CD1-CG1 4.15Å; L107-V124 HydrophobicContact CD1-CG2 4.27Å; L107-V124 HydrophobicContact CG-CG1 4.06Å; L107-V124 HydrophobicContact CG-CG2 4.32Å; L113-V124 HydrophobicContact CD1-CG2 3.78Å; L113-V124 HydrophobicContact CG-CG2 4.49Å; E121-V124 WeakPolarHBondContact O-CB 3.42Å; E121-V124 PolarHBondContact O-N 3.18Å; E121-V124 VanDerWaalsContact O-N 3.08Å; V124-V127 HydrophobicContact CG1-CG2 3.94Å
125V97Very high82.3Confident89 Ų8969.2 Ų69.254%0.53938%0.38SS..EExtended strand (participates in β ladder)trans-98.7-17.2179.2-62.60000112.3I105 A123I105-V125 WeakPolarHBondContact O-CG2 3.3Å; I105-V125 PolarHBondContact O-N 3.39Å; A123-V125 PolarHBondContact O-N 2.89Å; A123-V125 VanDerWaalsContact O-N 3.14Å
126K96.1Very high80.5Confident72 Ų7268.6 Ų68.631%0.31338%0.382SS..EExtended strand (participates in β ladder)trans-157.4147.4-178-173.9156.5-179.7157.60112.6Y41 I105 T106 L107 I128 E151Y41-K126 VanDerWaalsContact OH-CD 3.32Å; Y41-K126 WeakPolarHBondContact OH-CD 3.49Å; Y41-K126 WeakPolarHBondContact OH-CE 3.5Å; Y41-K126 PolarHBondContact OH-NZ 3.41Å; I105-K126 PolarHBondContact O-N 3.36Å; T106-K126 CarbonylContact C-O 3.54Å; T106-K126 VanDerWaalsContact CA-O 3.3Å; T106-K126 WeakPolarHBondContact CA-O 3.32Å; T106-K126 HydrophobicContact CG2-CB 3.95Å; T106-K126 HydrophobicContact CG2-CG 4.07Å; L107-K126 PolarHBondContact N-O 3.07Å; K126-I128 HydrophobicContact CG-CG1 4.28Å; K126-E151 WeakPolarHBondContact CE-OE1 3.46Å; K126-E151 WeakPolarHBondContact CE-OE2 3.24Å; K126-E151 IonicContact NZ-OE1 3.73Å; K126-E151 PolarHBondContact NZ-OE1 2.97Å; K126-E151 IonicContact NZ-OE2 2.71Å; K126-E151 PolarHBondContact NZ-OE2 3.42Å
127V95.1Very high78.5Confident42 Ų4269.3 Ų69.326%0.25539%0.389SS..EExtended strand (participates in β ladder)trans-127.1130.6172.2-179.70000108.6L107 V124 N129 E132L107-V127 HydrophobicContact CB-CG1 4.46Å; L107-V127 HydrophobicContact CB-CG2 4.31Å; L107-V127 HydrophobicContact CD1-CG2 4.2Å; L107-V127 HydrophobicContact CG-CG2 4.48Å; L107-V127 CarbonylContact O-C 3.59Å; L107-V127 WeakPolarHBondContact O-CA 3.43Å; V124-V127 HydrophobicContact CG1-CG2 3.94Å; V127-N129 HydrophobicContact CG1-CB 3.85Å; V127-E132 VanDerWaalsContact CG1-OE2 3.27Å; V127-E132 WeakPolarHBondContact CG1-OE2 3.4Å
128I92.8Very high76.6Confident6 Ų676 Ų763%0.03143%0.43CS..EExtended strand (participates in β ladder)trans-121.487.5173.6-55.1178000106.7Y41 T106 L107 V108 G109 K126 L147 V148Y41-I128 HydrophobicContact CD1-CD1 4.1Å; Y41-I128 HydrophobicContact CD2-CD1 3.48Å; Y41-I128 VanDerWaalsContact CD2-CD1 3.48Å; Y41-I128 HydrophobicContact CE1-CD1 3.9Å; Y41-I128 HydrophobicContact CE2-CD1 3.25Å; Y41-I128 HydrophobicContact CG-CD1 3.9Å; Y41-I128 VanDerWaalsContact CZ-CD1 3.47Å; T106-I128 HydrophobicContact CG2-CD1 4.23Å; T106-I128 HydrophobicContact CG2-CG1 4.31Å; L107-I128 PolarHBondContact O-N 3.47Å; V108-I128 CarbonylContact C-O 3.59Å; V108-I128 WeakPolarHBondContact CA-O 3.44Å; V108-I128 HydrophobicContact CG2-CB 4.37Å; V108-I128 HydrophobicContact CG2-CD1 4.47Å; G109-I128 PolarHBondContact N-O 3.47Å; K126-I128 HydrophobicContact CG-CG1 4.28Å; I128-L147 HydrophobicContact CG2-CB 3.63Å; I128-L147 HydrophobicContact CG2-CD1 4.13Å; I128-V148 HydrophobicContact CD1-CG2 4.25Å; I128-V148 HydrophobicContact CG2-CG2 4.12Å
129N86.2Confident74.6Confident9 Ų976.6 Ų76.65%0.04843%0.434CS..  trans-127.3130-176.6-176.310.7000110.5S111 V127 V131 E132S111-N129 WeakPolarHBondContact CB-ND2 3.14Å; S111-N129 PolarHBondContact N-ND2 2.95Å; S111-N129 VanDerWaalsContact N-ND2 3.19Å; S111-N129 PolarHBondContact OG-ND2 3.39Å; S111-N129 VanDerWaalsContact OG-ND2 3.12Å; V127-N129 HydrophobicContact CG1-CB 3.85Å; N129-V131 PolarHBondContact O-N 2.97Å; N129-V131 VanDerWaalsContact O-N 3.07Å; N129-V131 PolarHBondContact OD1-N 2.69Å; N129-E132 HydrophobicContact CB-CG 4.33Å; N129-E132 PolarHBondContact O-N 3.43Å
130P73.5Confident72.7Confident15 Ų1577.4 Ų77.410%0.09743%0.431CS..THydrogen-bonded Turntrans-52.1-25.5171.3-31.237.3000116R141 E142 L147P130-R141 HydrophobicContact CB-CG 3.42Å; P130-R141 VanDerWaalsContact CB-CG 3.42Å; P130-R141 HydrophobicContact CG-CG 4.47Å; P130-E142 WeakPolarHBondContact CB-O 3.46Å; P130-E142 WeakPolarHBondContact CG-O 3.15Å; P130-L147 HydrophobicContact CG-CD1 4.1Å
131V67.4Low71.4Confident61 Ų6184 Ų8437%0.3746%0.456SS..THydrogen-bonded Turntrans-78.4-26-176.6-171.10000113.2N129 Q133 R141N129-V131 PolarHBondContact O-N 2.97Å; N129-V131 VanDerWaalsContact O-N 3.07Å; N129-V131 PolarHBondContact OD1-N 2.69Å; V131-Q133 VanDerWaalsContact C-N 3.34Å; V131-Q133 PolarHBondContact O-N 3.27Å; V131-R141 VanDerWaalsContact CG2-NH2 3.3Å
132E55.1Low70.8Confident114 Ų11480 Ų8053%0.53344%0.437SS..THydrogen-bonded Turntrans-85.1-6.1-173.1-67.4-173.4166.500113.7S111 V127 N129S111-E132 WeakPolarHBondContact CB-OE1 3.22Å; V127-E132 VanDerWaalsContact CG1-OE2 3.27Å; V127-E132 WeakPolarHBondContact CG1-OE2 3.4Å; N129-E132 HydrophobicContact CB-CG 4.33Å; N129-E132 PolarHBondContact O-N 3.43Å
133Q52.1Low70.6Confident128 Ų12875.1 Ų75.160%0.59840%0.403SS*.THydrogen-bonded Turntrans-104.87.3-177.6-64.8-170.318.200114.6V131V131-Q133 VanDerWaalsContact C-N 3.34Å; V131-Q133 PolarHBondContact O-N 3.27Å
134S43.5Very low70.4Confident63 Ų6375 Ų7544%0.44140%0.402SS..  trans-113.896-179.966.90000112.3A136S134-A136 PolarHBondContact O-N 3.38Å
135D45Very low70.3Confident169 Ų16973.1 Ų73.190%0.90439%0.39SS*.SBendtrans-65.8116.9143.4-80.2-40000107.7N137D135-N137 PolarHBondContact O-N 2.98Å
136A45.6Very low70.2Confident97 Ų9768.9 Ų68.980%0.80237%0.365SS*.SBendtrans70.417.5155.200000122.3S134S134-A136 PolarHBondContact O-N 3.38Å
137N46Very low70.1Confident116 Ų11665.8 Ų65.862%0.6235%0.351SS*.  trans-143.2101.4164.3-112.3-12.9000113.4D135 E139D135-N137 PolarHBondContact O-N 2.98Å; N137-E139 PolarHBondContact O-N 3.35Å
138V50.4Low70.2Confident146 Ų14663.8 Ų63.889%0.88534%0.339SS*.THydrogen-bonded Turntrans-71.5-8.8-178.51780000112.4
139E47.8Very low70.4Confident145 Ų14563.5 Ų63.568%0.67834%0.338SS*.THydrogen-bonded Turntrans-81.8-18.5-165.1-146.6166.4-159.600114.4N137N137-E139 PolarHBondContact O-N 3.35Å
140F54.3Low70.8Confident105 Ų10565.5 Ų65.546%0.46135%0.346SS..  trans-140.883.8180-63-77.3000112.1E142F140-E142 PolarHBondContact O-N 2.79Å
141R68Low71.9Confident140 Ų14066.3 Ų66.353%0.52835%0.349SS..PPolyproline II helixtrans-71.4116.2172.4-171179.8-78-168.6-1.4109P130 V131 M179P130-R141 HydrophobicContact CB-CG 3.42Å; P130-R141 VanDerWaalsContact CB-CG 3.42Å; P130-R141 HydrophobicContact CG-CG 4.47Å; V131-R141 VanDerWaalsContact CG2-NH2 3.3Å; R141-M179 HydrophobicContact CB-CE 4.13Å; R141-M179 WeakPolarHBondContact O-CE 3.29Å
142E81.9Confident73.3Confident14 Ų1463.4 Ų63.47%0.06533%0.331CS..PPolyproline II helixtrans-59.1158.3172.5-79.3-173.4-152.400111.5P130 F140 L147 K150 K187P130-E142 WeakPolarHBondContact CB-O 3.46Å; P130-E142 WeakPolarHBondContact CG-O 3.15Å; F140-E142 PolarHBondContact O-N 2.79Å; E142-L147 VanDerWaalsContact OE2-CD2 3.32Å; E142-L147 WeakPolarHBondContact OE2-CD2 3.42Å; E142-K150 IonicContact OE1-NZ 2.8Å; E142-K150 PolarHBondContact OE1-NZ 2.95Å; E142-K150 IonicContact OE2-NZ 3.55Å; E142-K150 PolarHBondContact OE2-NZ 2.87Å; E142-K187 HydrophobicContact CG-CB 4.21Å; E142-K187 HydrophobicContact CG-CD 4.34Å; E142-K187 WeakPolarHBondContact OE1-CB 3.48Å; E142-K187 WeakPolarHBondContact OE1-CD 3.43Å; E142-K187 IonicContact OE1-NZ 2.8Å
143S89.9Confident75.3Confident0 Ų059.7 Ų59.70%032%0.315CS..PPolyproline II helixtrans-78154.3171.575.50000110.2D33 S145 S146 L147 I172D33-S143 WeakPolarHBondContact OD2-CA 3.35Å; D33-S143 WeakPolarHBondContact OD2-CB 3.24Å; S143-S145 PolarHBondContact O-N 2.68Å; S143-S146 WeakPolarHBondContact O-CB 3.34Å; S143-S146 PolarHBondContact O-N 3.37Å; S143-S146 WeakPolarHBondContact OG-CB 3.14Å; S143-S146 PolarHBondContact OG-N 2.87Å; S143-S146 PolarHBondContact OG-OG 3.02Å; S143-L147 PolarHBondContact O-N 3.43Å; S143-I172 WeakPolarHBondContact OG-CG1 3.35Å
144S93.3Very high77.4Confident4 Ų461 Ų613%0.02832%0.321CS..Hα-helixtrans-62.4-33.4173.3-56.10000110.7D33 S37 G109 S146 L147 V148D33-S144 PolarHBondContact OD1-N 3.2Å; D33-S144 PolarHBondContact OD2-N 2.86Å; S37-S144 VanDerWaalsContact OG-CB 3.23Å; S37-S144 WeakPolarHBondContact OG-CB 2.97Å; G109-S144 WeakPolarHBondContact CA-OG 3.45Å; S144-S146 VanDerWaalsContact C-N 3.34Å; S144-S146 PolarHBondContact O-N 2.9Å; S144-L147 PolarHBondContact O-N 2.59Å; S144-V148 WeakPolarHBondContact O-CG2 3.18Å; S144-V148 PolarHBondContact O-N 3.39Å
145S95.3Very high79.9Confident0 Ų064.4 Ų64.40%033%0.33CS..Hα-helixtrans-66.6-37.7179.2-61.60000111.5D33 S37 S143 L149 S171D33-S145 PolarHBondContact O-OG 2.61Å; D33-S145 WeakPolarHBondContact OD1-CB 3.41Å; D33-S145 PolarHBondContact OD1-N 3.15Å; D33-S145 PolarHBondContact OD1-OG 2.87Å; S37-S145 WeakPolarHBondContact OG-CA 3.39Å; S37-S145 PolarHBondContact OG-N 2.9Å; S37-S145 PolarHBondContact OG-OG 2.96Å; S143-S145 PolarHBondContact O-N 2.68Å; S145-L149 WeakPolarHBondContact O-CB 3.39Å; S145-L149 PolarHBondContact O-N 3.21Å; S145-S171 WeakPolarHBondContact OG-CB 3.44Å; S145-S171 PolarHBondContact OG-OG 2.86Å
146S94.6Very high82.4Confident0 Ų056.4 Ų56.40%029%0.287CS..Hα-helixtrans-61.1-44.7173.5-670000111.3S143 S144 L149 K150 I172S143-S146 WeakPolarHBondContact O-CB 3.34Å; S143-S146 PolarHBondContact O-N 3.37Å; S143-S146 WeakPolarHBondContact OG-CB 3.14Å; S143-S146 PolarHBondContact OG-N 2.87Å; S143-S146 PolarHBondContact OG-OG 3.02Å; S144-S146 VanDerWaalsContact C-N 3.34Å; S144-S146 PolarHBondContact O-N 2.9Å; S146-L149 PolarHBondContact O-N 3.37Å; S146-K150 VanDerWaalsContact O-CG 3.32Å; S146-K150 WeakPolarHBondContact O-CG 3.3Å; S146-K150 PolarHBondContact O-N 2.97Å; S146-I172 WeakPolarHBondContact OG-CG1 3.21Å
147L94.5Very high84.8Confident7 Ų754.2 Ų54.24%0.03727%0.265CS..Hα-helixtrans-65.8-46.5178.6-64.5-175.6000112.5I128 P130 E142 S143 S144 L149 K150 E151I128-L147 HydrophobicContact CG2-CB 3.63Å; I128-L147 HydrophobicContact CG2-CD1 4.13Å; P130-L147 HydrophobicContact CG-CD1 4.1Å; E142-L147 VanDerWaalsContact OE2-CD2 3.32Å; E142-L147 WeakPolarHBondContact OE2-CD2 3.42Å; S143-L147 PolarHBondContact O-N 3.43Å; S144-L147 PolarHBondContact O-N 2.59Å; L147-L149 VanDerWaalsContact C-N 3.29Å; L147-L149 PolarHBondContact O-N 2.82Å; L147-K150 PolarHBondContact O-N 3.27Å; L147-E151 PolarHBondContact O-N 3.49Å; L147-E151 VanDerWaalsContact O-N 3.13Å
148V96.7Very high87.1Confident0 Ų055.3 Ų55.30%027%0.266CS..Hα-helixtrans-59.3-43.3176.1164.10000110.8T40 Y41 V108 I128 S144 E151 I152T40-V148 HydrophobicContact CG2-CG1 3.69Å; Y41-V148 HydrophobicContact CD2-CG1 4.1Å; Y41-V148 HydrophobicContact CD2-CG2 4.08Å; Y41-V148 HydrophobicContact CG-CG2 4.42Å; V108-V148 HydrophobicContact CG1-CG2 4.21Å; I128-V148 HydrophobicContact CD1-CG2 4.25Å; I128-V148 HydrophobicContact CG2-CG2 4.12Å; S144-V148 WeakPolarHBondContact O-CG2 3.18Å; S144-V148 PolarHBondContact O-N 3.39Å; V148-E151 PolarHBondContact O-N 3.11Å; V148-I152 HydrophobicContact CG1-CD1 3.76Å; V148-I152 VanDerWaalsContact O-CG1 3.31Å; V148-I152 WeakPolarHBondContact O-CG1 3.21Å; V148-I152 PolarHBondContact O-N 3.43Å
149L96.8Very high89.3Confident0 Ų049.5 Ų49.50%023%0.23CC..Hα-helixtrans-63.8-45.5178.217456.6000112.2S145 S146 L147 E151 I152 L153 I160 L168 I172 I191 L195S145-L149 WeakPolarHBondContact O-CB 3.39Å; S145-L149 PolarHBondContact O-N 3.21Å; S146-L149 PolarHBondContact O-N 3.37Å; L147-L149 VanDerWaalsContact C-N 3.29Å; L147-L149 PolarHBondContact O-N 2.82Å; L149-E151 VanDerWaalsContact C-N 3.27Å; L149-E151 PolarHBondContact O-N 3.49Å; L149-I152 PolarHBondContact O-N 2.91Å; L149-L153 HydrophobicContact CD1-CD1 3.74Å; L149-L153 HydrophobicContact CD1-CD2 4.4Å; L149-L153 HydrophobicContact CD1-CG 3.78Å; L149-L153 HydrophobicContact CG-CD1 3.86Å; L149-L153 HydrophobicContact CG-CG 4.35Å; L149-L153 WeakPolarHBondContact O-CB 3.21Å; L149-L153 VanDerWaalsContact O-CG 3.31Å; L149-L153 WeakPolarHBondContact O-CG 3.26Å; L149-L153 PolarHBondContact O-N 3.26Å; L149-I160 HydrophobicContact CD1-CD1 3.86Å; L149-I160 HydrophobicContact CD1-CG1 4.18Å; L149-L168 HydrophobicContact CB-CD1 4.24Å; L149-L168 HydrophobicContact CD1-CD1 3.9Å; L149-L168 HydrophobicContact CG-CD1 4.46Å; L149-I172 HydrophobicContact CD2-CD1 4.15Å; L149-I191 HydrophobicContact CB-CG1 4.49Å; L149-I191 HydrophobicContact CD2-CD1 4.16Å; L149-I191 HydrophobicContact CD2-CG1 3.57Å; L149-I191 HydrophobicContact CG-CD1 4.08Å; L149-I191 HydrophobicContact CG-CG1 3.96Å; L149-L195 HydrophobicContact CD1-CD2 3.8Å; L149-L195 HydrophobicContact CD2-CD1 3.6Å; L149-L195 HydrophobicContact CD2-CD2 3.77Å; L149-L195 HydrophobicContact CD2-CG 3.68Å; L149-L195 HydrophobicContact CG-CD2 4.41Å
150K95.3Very high91.6Very high52 Ų5242.9 Ų42.923%0.22620%0.199CC..Hα-helixtrans-54.9-45.4176.5-77.6172.3177.5177.30111.4E142 S146 L147 L153 Q154 I191E142-K150 IonicContact OE1-NZ 2.8Å; E142-K150 PolarHBondContact OE1-NZ 2.95Å; E142-K150 IonicContact OE2-NZ 3.55Å; E142-K150 PolarHBondContact OE2-NZ 2.87Å; S146-K150 VanDerWaalsContact O-CG 3.32Å; S146-K150 WeakPolarHBondContact O-CG 3.3Å; S146-K150 PolarHBondContact O-N 2.97Å; L147-K150 PolarHBondContact O-N 3.27Å; K150-L153 PolarHBondContact O-N 3.41Å; K150-Q154 WeakPolarHBondContact O-CG 3.43Å; K150-Q154 PolarHBondContact O-N 3.35Å; K150-Q154 VanDerWaalsContact O-N 3.12Å; K150-I191 HydrophobicContact CG-CD1 3.56Å; K150-I191 HydrophobicContact CG-CG1 4.24Å
151E95.8Very high93.5Very high31 Ų3141 Ų4115%0.14520%0.196CC..Hα-helixtrans-65.3-45.4179.3-174.2172.2146.900112.4Y41 K126 L147 V148 L149 L153 Q154 E155Y41-E151 HydrophobicContact CE2-CG 4.47Å; Y41-E151 VanDerWaalsContact CE2-OE1 3.23Å; Y41-E151 WeakPolarHBondContact CE2-OE1 3.23Å; Y41-E151 VanDerWaalsContact CZ-OE1 3.32Å; Y41-E151 PolarHBondContact OH-OE1 3.32Å; K126-E151 WeakPolarHBondContact CE-OE1 3.46Å; K126-E151 WeakPolarHBondContact CE-OE2 3.24Å; K126-E151 IonicContact NZ-OE1 3.73Å; K126-E151 PolarHBondContact NZ-OE1 2.97Å; K126-E151 IonicContact NZ-OE2 2.71Å; K126-E151 PolarHBondContact NZ-OE2 3.42Å; L147-E151 PolarHBondContact O-N 3.49Å; L147-E151 VanDerWaalsContact O-N 3.13Å; V148-E151 PolarHBondContact O-N 3.11Å; L149-E151 VanDerWaalsContact C-N 3.27Å; L149-E151 PolarHBondContact O-N 3.49Å; E151-L153 VanDerWaalsContact C-N 3.31Å; E151-L153 PolarHBondContact O-N 3.24Å; E151-Q154 PolarHBondContact O-N 2.91Å; E151-Q154 VanDerWaalsContact O-N 3.13Å; E151-E155 HydrophobicContact CG-CG 4.38Å; E151-E155 PolarHBondContact O-N 3.33Å
152I97.4Very high94.8Very high1 Ų138.5 Ų38.51%0.00519%0.19CC..Hα-helixtrans-65.9-37.1179.5-61.5167.5000110.9T40 F44 V148 L149 Q154 E155 A156 P157 L159 I160T40-I152 HydrophobicContact CG2-CD1 3.5Å; F44-I152 HydrophobicContact CB-CD1 3.85Å; F44-I152 HydrophobicContact CB-CG1 3.9Å; F44-I152 HydrophobicContact CD1-CG1 4.44Å; F44-I152 HydrophobicContact CD2-CB 4.42Å; F44-I152 HydrophobicContact CD2-CG1 3.8Å; F44-I152 HydrophobicContact CD2-CG2 4.19Å; F44-I152 HydrophobicContact CE2-CG1 4.43Å; F44-I152 HydrophobicContact CG-CD1 4.32Å; F44-I152 HydrophobicContact CG-CG1 3.8Å; V148-I152 HydrophobicContact CG1-CD1 3.76Å; V148-I152 VanDerWaalsContact O-CG1 3.31Å; V148-I152 WeakPolarHBondContact O-CG1 3.21Å; V148-I152 PolarHBondContact O-N 3.43Å; L149-I152 PolarHBondContact O-N 2.91Å; I152-Q154 PolarHBondContact O-N 3.13Å; I152-E155 PolarHBondContact O-N 3.07Å; I152-A156 CarbonylContact O-C 3.32Å; I152-A156 WeakPolarHBondContact O-CA 3.49Å; I152-A156 PolarHBondContact O-N 2.96Å; I152-P157 VanDerWaalsContact O-N 3.14Å; I152-L159 HydrophobicContact CG2-CB 4.3Å; I152-I160 HydrophobicContact CB-CD1 3.94Å; I152-I160 HydrophobicContact CD1-CD1 4.33Å; I152-I160 HydrophobicContact CG2-CD1 3.43Å; I152-I160 VanDerWaalsContact CG2-CD1 3.43Å; I152-I160 HydrophobicContact CG2-CG1 3.85Å
153L96.6Very high95.3Very high35 Ų3542.7 Ų42.718%0.18321%0.21CC..Hα-helixtrans-63.6-31175.1-74170.3000112.7L149 K150 E151 P157 I160 I191 I194L149-L153 HydrophobicContact CD1-CD1 3.74Å; L149-L153 HydrophobicContact CD1-CD2 4.4Å; L149-L153 HydrophobicContact CD1-CG 3.78Å; L149-L153 HydrophobicContact CG-CD1 3.86Å; L149-L153 HydrophobicContact CG-CG 4.35Å; L149-L153 WeakPolarHBondContact O-CB 3.21Å; L149-L153 VanDerWaalsContact O-CG 3.31Å; L149-L153 WeakPolarHBondContact O-CG 3.26Å; L149-L153 PolarHBondContact O-N 3.26Å; K150-L153 PolarHBondContact O-N 3.41Å; E151-L153 VanDerWaalsContact C-N 3.31Å; E151-L153 PolarHBondContact O-N 3.24Å; L153-P157 HydrophobicContact CD2-CB 4.45Å; L153-P157 WeakPolarHBondContact O-CB 3.4Å; L153-I160 HydrophobicContact CD2-CG1 4.17Å; L153-I191 HydrophobicContact CD1-CD1 3.83Å; L153-I194 HydrophobicContact CD1-CG2 3.75Å
154Q96.2Very high95.5Very high155 Ų15543 Ų4372%0.72421%0.212SC*.Hα-helixtrans-76.9-43.9176.4-74.2176.8-10.300112.3K150 E151 I152K150-Q154 WeakPolarHBondContact O-CG 3.43Å; K150-Q154 PolarHBondContact O-N 3.35Å; K150-Q154 VanDerWaalsContact O-N 3.12Å; E151-Q154 PolarHBondContact O-N 2.91Å; E151-Q154 VanDerWaalsContact O-N 3.13Å; I152-Q154 PolarHBondContact O-N 3.13Å
155E96.9Very high95.6Very high135 Ų13542.8 Ų42.863%0.63121%0.21SC*.Hα-helixtrans-93.7-39.3-169.6-65.1-64151.300113.8F44 E151 I152F44-E155 HydrophobicContact CE2-CB 3.97Å; F44-E155 HydrophobicContact CZ-CB 3.81Å; F44-E155 HydrophobicContact CZ-CG 4.31Å; E151-E155 HydrophobicContact CG-CG 4.38Å; E151-E155 PolarHBondContact O-N 3.33Å; I152-E155 PolarHBondContact O-N 3.07Å
156A96.5Very high95.5Very high2 Ų246 Ų462%0.01723%0.225CC..  trans-15263.2-173.900000111.5F44 V48 I152 E158 L159F44-A156 HydrophobicContact CD2-CB 4.32Å; F44-A156 HydrophobicContact CE2-CB 3.87Å; V48-A156 HydrophobicContact CG1-CB 4.19Å; I152-A156 CarbonylContact O-C 3.32Å; I152-A156 WeakPolarHBondContact O-CA 3.49Å; I152-A156 PolarHBondContact O-N 2.96Å; A156-E158 WeakPolarHBondContact CA-OE2 3.49Å; A156-E158 PolarHBondContact O-N 3.4Å; A156-E158 VanDerWaalsContact O-N 3.1Å; A156-L159 HydrophobicContact CB-CD1 3.58Å; A156-L159 HydrophobicContact CB-CG 3.82Å; A156-L159 WeakPolarHBondContact O-CB 3.48Å; A156-L159 PolarHBondContact O-N 2.85Å
157P96Very high95.4Very high50 Ų5046.4 Ų46.433%0.32523%0.227SC..G310 helixtrans-59.2-25.5-174.222.6-33.5000113.4I152 L153 L159 I160 K198I152-P157 VanDerWaalsContact O-N 3.14Å; L153-P157 HydrophobicContact CD2-CB 4.45Å; L153-P157 WeakPolarHBondContact O-CB 3.4Å; P157-L159 PolarHBondContact O-N 2.96Å; P157-I160 PolarHBondContact O-N 2.76Å; P157-K198 PolarHBondContact O-NZ 3.13Å
158E95.4Very high95.4Very high140 Ų14046.1 Ų46.165%0.65423%0.225SC*.G310 helixtrans-65.2-18.9175.972.7-73.4173.200113.7A156 I160A156-E158 WeakPolarHBondContact CA-OE2 3.49Å; A156-E158 PolarHBondContact O-N 3.4Å; A156-E158 VanDerWaalsContact O-N 3.1Å; E158-I160 VanDerWaalsContact C-N 3.3Å
159L96Very high95.3Very high23 Ų2346.2 Ų46.212%0.1223%0.225CC..G310 helixtrans-77.3-17.8177-62-176.9000113.1Y43 F44 K47 V48 I152 A156 P157 T161Y43-L159 HydrophobicContact CE1-CB 4.43Å; F44-L159 HydrophobicContact CD2-CD1 3.93Å; K47-L159 HydrophobicContact CB-CD1 3.52Å; K47-L159 HydrophobicContact CB-CD2 3.95Å; K47-L159 HydrophobicContact CB-CG 4.41Å; K47-L159 HydrophobicContact CD-CD2 4.42Å; K47-L159 HydrophobicContact CG-CD1 4Å; K47-L159 HydrophobicContact CG-CD2 3.88Å; V48-L159 HydrophobicContact CG1-CD1 4.18Å; I152-L159 HydrophobicContact CG2-CB 4.3Å; A156-L159 HydrophobicContact CB-CD1 3.58Å; A156-L159 HydrophobicContact CB-CG 3.82Å; A156-L159 WeakPolarHBondContact O-CB 3.48Å; A156-L159 PolarHBondContact O-N 2.85Å; P157-L159 PolarHBondContact O-N 2.96Å; L159-T161 PolarHBondContact O-N 3.31Å
160I96.4Very high95.1Very high7 Ų746.6 Ų46.64%0.03623%0.23CC..  trans-75.3106.8172.5-53.1-58.8000108L149 I152 L153 P157 E158 L164 A165 L168 L195 F199L149-I160 HydrophobicContact CD1-CD1 3.86Å; L149-I160 HydrophobicContact CD1-CG1 4.18Å; I152-I160 HydrophobicContact CB-CD1 3.94Å; I152-I160 HydrophobicContact CD1-CD1 4.33Å; I152-I160 HydrophobicContact CG2-CD1 3.43Å; I152-I160 VanDerWaalsContact CG2-CD1 3.43Å; I152-I160 HydrophobicContact CG2-CG1 3.85Å; L153-I160 HydrophobicContact CD2-CG1 4.17Å; P157-I160 PolarHBondContact O-N 2.76Å; E158-I160 VanDerWaalsContact C-N 3.3Å; I160-L164 HydrophobicContact CD1-CD2 3.91Å; I160-L164 HydrophobicContact CD1-CG 4.43Å; I160-A165 HydrophobicContact CG2-CB 4.04Å; I160-L168 HydrophobicContact CD1-CD1 4.22Å; I160-L195 HydrophobicContact CG2-CD2 4.2Å; I160-F199 HydrophobicContact CB-CE2 4.48Å; I160-F199 HydrophobicContact CB-CZ 4.39Å; I160-F199 HydrophobicContact CG2-CE2 3.56Å; I160-F199 HydrophobicContact CG2-CZ 3.83Å; I160-F199 WeakPolarHBondContact O-CZ 3.32Å
161T95.1Very high95Very high64 Ų6444.2 Ų44.239%0.39322%0.219SC..  trans-92.1164.6169.866.10000110.3L159 Q163 L164 A165L159-T161 PolarHBondContact O-N 3.31Å; T161-Q163 PolarHBondContact O-N 2.79Å; T161-L164 PolarHBondContact O-N 2.99Å; T161-L164 PolarHBondContact OG1-N 2.97Å; T161-A165 WeakPolarHBondContact O-CB 3.18Å; T161-A165 PolarHBondContact O-N 3.24Å
162E94.7Very high94.8Very high88 Ų8842.8 Ų42.841%0.41121%0.213SC..Hα-helixtrans-55.6-40.9175.3-170.5175.6109.300112L164 A165 H166 F199 L202E162-L164 PolarHBondContact O-N 3.36Å; E162-A165 PolarHBondContact O-N 2.98Å; E162-H166 WeakPolarHBondContact O-CB 3.31Å; E162-H166 PolarHBondContact O-N 3.47Å; E162-F199 HydrophobicContact CB-CD1 3.82Å; E162-F199 HydrophobicContact CB-CE1 4.31Å; E162-F199 HydrophobicContact CB-CG 4.48Å; E162-F199 HydrophobicContact CG-CB 4.35Å; E162-F199 HydrophobicContact CG-CD1 4.23Å; E162-L202 HydrophobicContact CG-CD2 3.99Å
163Q92.3Very high94.6Very high102 Ų10242.7 Ų42.748%0.47721%0.212SC..Hα-helixtrans-64.4-40.9175.9-168.3-171.420.800112.4T161 H166 R167T161-Q163 PolarHBondContact O-N 2.79Å; Q163-H166 PolarHBondContact O-N 3.12Å; Q163-R167 WeakPolarHBondContact O-CG 3.44Å; Q163-R167 PolarHBondContact O-N 3.48Å
164L94.1Very high94.2Very high6 Ų641.8 Ų41.83%0.03121%0.207CC..Hα-helixtrans-69.9-40.6177.8-178.156.9000111.1M1 T40 Y43 I160 T161 E162 H166 R167 L168M1-L164 HydrophobicContact CE-CD1 3.23Å; T40-L164 HydrophobicContact CG2-CD1 3.86Å; T40-L164 HydrophobicContact CG2-CD2 4.18Å; T40-L164 HydrophobicContact CG2-CG 4.43Å; Y43-L164 HydrophobicContact CD1-CD2 4.11Å; Y43-L164 HydrophobicContact CE1-CD2 4.04Å; I160-L164 HydrophobicContact CD1-CD2 3.91Å; I160-L164 HydrophobicContact CD1-CG 4.43Å; T161-L164 PolarHBondContact O-N 2.99Å; T161-L164 PolarHBondContact OG1-N 2.97Å; E162-L164 PolarHBondContact O-N 3.36Å; L164-H166 VanDerWaalsContact C-N 3.35Å; L164-R167 PolarHBondContact O-N 3.43Å; L164-L168 HydrophobicContact CD1-CD1 4.15Å; L164-L168 HydrophobicContact CD1-CG 4.29Å; L164-L168 HydrophobicContact CG-CD1 3.91Å; L164-L168 WeakPolarHBondContact O-CG 2.88Å; L164-L168 PolarHBondContact O-N 3.49Å
165A95.4Very high93.8Very high0 Ų036.7 Ų36.70%018%0.183CC..Hα-helixtrans-58.1-46.9173.300000111I160 T161 E162 R167 L168 R169 L195 F199 L202I160-A165 HydrophobicContact CG2-CB 4.04Å; T161-A165 WeakPolarHBondContact O-CB 3.18Å; T161-A165 PolarHBondContact O-N 3.24Å; E162-A165 PolarHBondContact O-N 2.98Å; A165-R167 VanDerWaalsContact C-N 3.33Å; A165-R167 PolarHBondContact O-N 2.96Å; A165-L168 PolarHBondContact O-N 3.17Å; A165-R169 VanDerWaalsContact O-CB 3.24Å; A165-R169 WeakPolarHBondContact O-CB 3.38Å; A165-R169 PolarHBondContact O-N 3.05Å; A165-L195 HydrophobicContact CB-CD1 4.5Å; A165-L195 HydrophobicContact CB-CD2 3.86Å; A165-F199 HydrophobicContact CB-CD2 3.44Å; A165-F199 VanDerWaalsContact CB-CD2 3.44Å; A165-F199 HydrophobicContact CB-CE2 3.64Å; A165-F199 HydrophobicContact CB-CG 4.14Å; A165-F199 HydrophobicContact CB-CZ 4.46Å; A165-L202 HydrophobicContact CB-CD1 4.19Å
166H93.1Very high93.3Very high67 Ų6732.6 Ų32.631%0.3116%0.161SC..Hα-helixtrans-56.9-44.8177-175.267.1000112.4E162 Q163 L164 R169 G170 L202 I208E162-H166 WeakPolarHBondContact O-CB 3.31Å; E162-H166 PolarHBondContact O-N 3.47Å; Q163-H166 PolarHBondContact O-N 3.12Å; L164-H166 VanDerWaalsContact C-N 3.35Å; H166-R169 PolarHBondContact O-N 3.44Å; H166-G170 PolarHBondContact O-N 3.22Å; H166-L202 HydrophobicContact CB-CD2 3.72Å; H166-I208 VanDerWaalsContact CE1-CD1 3.42Å; H166-I208 WeakPolarHBondContact CE1-CD1 3.45Å
167R92.6Very high92.7Very high10 Ų1034.4 Ų34.44%0.03817%0.17CC..Hα-helixtrans-66.5-46.7178.1-71.2175.7178.7-176.40.8113.1E2 L79 Q163 L164 A165 R169 G170 S171E2-R167 IonicContact OE1-CZ 3.17Å; E2-R167 IonicContact OE1-NH1 2.9Å; E2-R167 IonicContact OE1-NH2 3.8Å; E2-R167 PolarHBondContact OE1-NH2 3.38Å; L79-R167 PolarHBondContact O-NH2 3.34Å; Q163-R167 WeakPolarHBondContact O-CG 3.44Å; Q163-R167 PolarHBondContact O-N 3.48Å; L164-R167 PolarHBondContact O-N 3.43Å; A165-R167 VanDerWaalsContact C-N 3.33Å; A165-R167 PolarHBondContact O-N 2.96Å; R167-R169 VanDerWaalsContact C-N 3.3Å; R167-R169 PolarHBondContact O-N 3.27Å; R167-G170 PolarHBondContact O-N 3.02Å; R167-S171 VanDerWaalsContact O-CB 3.28Å; R167-S171 WeakPolarHBondContact O-CB 3.29Å; R167-S171 PolarHBondContact O-N 2.97Å
168L94.8Very high91.9Very high0 Ų034.8 Ų34.80%017%0.172CC..Hα-helixtrans-62.5-41.1176.9-73.8166000110.7I36 T40 L149 I160 L164 A165 S171 I172I36-L168 HydrophobicContact CG2-CD2 4.08Å; T40-L168 HydrophobicContact CG2-CD1 4.11Å; T40-L168 HydrophobicContact CG2-CD2 4.07Å; T40-L168 HydrophobicContact CG2-CG 4.44Å; L149-L168 HydrophobicContact CB-CD1 4.24Å; L149-L168 HydrophobicContact CD1-CD1 3.9Å; L149-L168 HydrophobicContact CG-CD1 4.46Å; I160-L168 HydrophobicContact CD1-CD1 4.22Å; L164-L168 HydrophobicContact CD1-CD1 4.15Å; L164-L168 HydrophobicContact CD1-CG 4.29Å; L164-L168 HydrophobicContact CG-CD1 3.91Å; L164-L168 WeakPolarHBondContact O-CG 2.88Å; L164-L168 PolarHBondContact O-N 3.49Å; A165-L168 PolarHBondContact O-N 3.17Å; L168-S171 WeakPolarHBondContact O-CB 3.44Å; L168-S171 PolarHBondContact O-N 3.46Å; L168-I172 WeakPolarHBondContact O-CD1 3.35Å; L168-I172 WeakPolarHBondContact O-CG1 3.48Å; L168-I172 PolarHBondContact O-N 3Å
169R93.6Very high90.9Very high2 Ų231.5 Ų31.51%0.00816%0.157CC..Hα-helixtrans-61.3-49.6176.3-153.9-175.878-178.24.2111.6A165 H166 R167 S171 I172 L173 L192 L195 E196 P203 P204A165-R169 VanDerWaalsContact O-CB 3.24Å; A165-R169 WeakPolarHBondContact O-CB 3.38Å; A165-R169 PolarHBondContact O-N 3.05Å; H166-R169 PolarHBondContact O-N 3.44Å; R167-R169 VanDerWaalsContact C-N 3.3Å; R167-R169 PolarHBondContact O-N 3.27Å; R169-S171 VanDerWaalsContact C-N 3.3Å; R169-S171 PolarHBondContact O-N 3.28Å; R169-I172 PolarHBondContact O-N 3.41Å; R169-L173 HydrophobicContact CG-CD1 4.31Å; R169-L173 WeakPolarHBondContact O-CB 3.48Å; R169-L173 VanDerWaalsContact O-CG 3.3Å; R169-L173 WeakPolarHBondContact O-CG 3.44Å; R169-L173 PolarHBondContact O-N 3.41Å; R169-L192 HydrophobicContact CB-CD2 4.39Å; R169-L192 HydrophobicContact CG-CD2 3.37Å; R169-L195 HydrophobicContact CB-CD1 4.02Å; R169-L195 HydrophobicContact CG-CD1 4.35Å; R169-E196 IonicContact NH1-OE1 3.24Å; R169-P203 PolarHBondContact NH1-O 3.36Å; R169-P203 PolarHBondContact NH2-O 2.97Å; R169-P204 PolarHBondContact NH2-O 3.24Å
170G92.4Very high89.4Confident9 Ų939.4 Ų39.49%0.09319%0.193CC..Hα-helixtrans-60-40.2176.300000112.7H166 R167 L173 F174 L212H166-G170 PolarHBondContact O-N 3.22Å; R167-G170 PolarHBondContact O-N 3.02Å; G170-L173 PolarHBondContact O-N 2.98Å; G170-F174 VanDerWaalsContact O-CB 3.25Å; G170-F174 WeakPolarHBondContact O-CB 3.33Å; G170-F174 PolarHBondContact O-N 3.23Å; G170-L212 WeakPolarHBondContact O-CD1 3.29Å
171S93.1Very high88.1Confident1 Ų141 Ų411%0.00721%0.205CC..Hα-helixtrans-62.9-45.5175.7-1720000113.3D33 S145 R167 L168 R169 F174 K175D33-S171 VanDerWaalsContact CA-OG 3.3Å; D33-S171 WeakPolarHBondContact CA-OG 3.47Å; S145-S171 WeakPolarHBondContact OG-CB 3.44Å; S145-S171 PolarHBondContact OG-OG 2.86Å; R167-S171 VanDerWaalsContact O-CB 3.28Å; R167-S171 WeakPolarHBondContact O-CB 3.29Å; R167-S171 PolarHBondContact O-N 2.97Å; L168-S171 WeakPolarHBondContact O-CB 3.44Å; L168-S171 PolarHBondContact O-N 3.46Å; R169-S171 VanDerWaalsContact C-N 3.3Å; R169-S171 PolarHBondContact O-N 3.28Å; S171-F174 PolarHBondContact O-N 2.95Å; S171-K175 PolarHBondContact O-N 3.43Å
172I93.1Very high86.8Confident1 Ų146.9 Ų46.91%0.00523%0.228CC..Hα-helixtrans-63.8-45.2177.4-65.3162.9000110.6S143 S146 L149 L168 R169 K175 W176 Q188 I191 L192S143-I172 WeakPolarHBondContact OG-CG1 3.35Å; S146-I172 WeakPolarHBondContact OG-CG1 3.21Å; L149-I172 HydrophobicContact CD2-CD1 4.15Å; L168-I172 WeakPolarHBondContact O-CD1 3.35Å; L168-I172 WeakPolarHBondContact O-CG1 3.48Å; L168-I172 PolarHBondContact O-N 3Å; R169-I172 PolarHBondContact O-N 3.41Å; I172-K175 PolarHBondContact O-N 3.11Å; I172-W176 PolarHBondContact O-N 3.36Å; I172-Q188 HydrophobicContact CG2-CB 4.45Å; I172-Q188 HydrophobicContact CG2-CG 4.21Å; I172-I191 HydrophobicContact CD1-CG2 4.15Å; I172-L192 HydrophobicContact CB-CD2 4.13Å; I172-L192 HydrophobicContact CD1-CD2 4.36Å; I172-L192 HydrophobicContact CG2-CD1 4.3Å; I172-L192 HydrophobicContact CG2-CD2 3.93Å; I172-L192 HydrophobicContact CG2-CG 4.13Å
173L91.3Very high86.1Confident0 Ų050.1 Ų50.10%024%0.241CC..Hα-helixtrans-64.2-42.4177-69.8170.9000111.6R169 G170 K175 W176 M177 I184 L192 R205 I208R169-L173 HydrophobicContact CG-CD1 4.31Å; R169-L173 WeakPolarHBondContact O-CB 3.48Å; R169-L173 VanDerWaalsContact O-CG 3.3Å; R169-L173 WeakPolarHBondContact O-CG 3.44Å; R169-L173 PolarHBondContact O-N 3.41Å; G170-L173 PolarHBondContact O-N 2.98Å; L173-K175 VanDerWaalsContact C-N 3.33Å; L173-K175 PolarHBondContact O-N 2.84Å; L173-W176 PolarHBondContact O-N 3.32Å; L173-M177 WeakPolarHBondContact O-CG 3.35Å; L173-M177 PolarHBondContact O-N 3.24Å; L173-I184 HydrophobicContact CD2-CD1 4.11Å; L173-L192 HydrophobicContact CD2-CD1 3.96Å; L173-L192 HydrophobicContact CG-CD2 4.38Å; L173-R205 HydrophobicContact CD1-CB 4.23Å; L173-R205 HydrophobicContact CD1-CG 4.32Å; L173-I208 HydrophobicContact CD1-CB 4.23Å; L173-I208 HydrophobicContact CD1-CG2 4.04Å
174F88.4Confident85.6Confident15 Ų1547.3 Ų47.37%0.06623%0.228CC..Hα-helixtrans-57.6-47.1173.8-175.9-97000111.2L32 I75 G170 S171 W176 M177 T178 L212L32-F174 HydrophobicContact CB-CD1 3.67Å; L32-F174 HydrophobicContact CB-CE1 3.76Å; L32-F174 HydrophobicContact CB-CG 4.33Å; L32-F174 HydrophobicContact CB-CZ 4.49Å; L32-F174 HydrophobicContact CD2-CB 3.82Å; L32-F174 HydrophobicContact CD2-CD1 3.86Å; L32-F174 HydrophobicContact CD2-CD2 4.04Å; L32-F174 HydrophobicContact CD2-CE1 4.44Å; L32-F174 HydrophobicContact CD2-CG 3.62Å; L32-F174 HydrophobicContact CG-CD1 4.37Å; I75-F174 HydrophobicContact CD1-CD2 4.4Å; I75-F174 HydrophobicContact CD1-CE2 3.69Å; I75-F174 HydrophobicContact CD1-CZ 3.98Å; G170-F174 VanDerWaalsContact O-CB 3.25Å; G170-F174 WeakPolarHBondContact O-CB 3.33Å; G170-F174 PolarHBondContact O-N 3.23Å; S171-F174 PolarHBondContact O-N 2.95Å; F174-W176 VanDerWaalsContact C-N 3.32Å; F174-W176 PolarHBondContact O-N 3.32Å; F174-M177 HydrophobicContact CB-CE 4.42Å; F174-M177 HydrophobicContact CD2-CE 4.43Å; F174-M177 PolarHBondContact O-N 3.04Å; F174-T178 HydrophobicContact CD1-CG2 4.02Å; F174-T178 HydrophobicContact CE1-CG2 3.59Å; F174-T178 HydrophobicContact CE2-CG2 4.25Å; F174-T178 HydrophobicContact CZ-CG2 3.73Å; F174-T178 WeakPolarHBondContact O-CG2 3.22Å; F174-T178 PolarHBondContact O-N 3.47Å; F174-T178 PolarHBondContact O-OG1 3.06Å; F174-L212 HydrophobicContact CB-CD1 4.02Å; F174-L212 HydrophobicContact CD2-CD1 4.48Å; F174-L212 HydrophobicContact CD2-CD2 4.26Å
175K88.4Confident85Confident49 Ų4947.5 Ų47.521%0.21323%0.23CC..Hα-helixtrans-58.6-46.8178.4-173.461.1174.5-175.30111.4D33 S171 I172 L173 M177 T178 M179D33-K175 HydrophobicContact CB-CB 4.2Å; D33-K175 HydrophobicContact CB-CD 4.1Å; D33-K175 HydrophobicContact CB-CG 4.43Å; S171-K175 PolarHBondContact O-N 3.43Å; I172-K175 PolarHBondContact O-N 3.11Å; L173-K175 VanDerWaalsContact C-N 3.33Å; L173-K175 PolarHBondContact O-N 2.84Å; K175-M177 PolarHBondContact O-N 3.4Å; K175-T178 PolarHBondContact O-N 3.27Å; K175-T178 PolarHBondContact O-OG1 3.49Å; K175-M179 HydrophobicContact CD-SD 4.38Å; K175-M179 HydrophobicContact CG-SD 3.97Å; K175-M179 VanDerWaalsContact O-CG 3.26Å; K175-M179 WeakPolarHBondContact O-CG 3.46Å; K175-M179 PolarHBondContact O-N 2.77Å
176W87.5Confident84.6Confident48 Ų4855.9 Ų55.918%0.18227%0.269CS..Hα-helixtrans-57-47.9175.4162.567.8000112.2I172 L173 F174 T178 M179 S181 K183 I184 I209I172-W176 PolarHBondContact O-N 3.36Å; L173-W176 PolarHBondContact O-N 3.32Å; F174-W176 VanDerWaalsContact C-N 3.32Å; F174-W176 PolarHBondContact O-N 3.32Å; W176-T178 VanDerWaalsContact C-N 3.3Å; W176-T178 PolarHBondContact O-N 2.61Å; W176-M179 PolarHBondContact O-N 2.99Å; W176-M179 VanDerWaalsContact O-N 3.11Å; W176-S181 PolarHBondContact NE1-O 2.93Å; W176-K183 PolarHBondContact NE1-O 3.39Å; W176-I184 HydrophobicContact CD2-CD1 4.2Å; W176-I184 HydrophobicContact CD2-CG1 3.5Å; W176-I184 VanDerWaalsContact CD2-CG1 3.5Å; W176-I184 VanDerWaalsContact CE2-CG1 3.48Å; W176-I184 HydrophobicContact CE3-CD1 4.27Å; W176-I184 HydrophobicContact CE3-CG1 4.07Å; W176-I184 HydrophobicContact CG-CG1 3.71Å; W176-I184 HydrophobicContact CZ2-CG1 4.02Å; W176-I209 HydrophobicContact CZ3-CD1 3.89Å; W176-I209 HydrophobicContact CZ3-CG1 4.35Å
177M83.7Confident84.1Confident40 Ų4058 Ų5820%0.19728%0.278CS..Hα-helixtrans-58.8-40.5178.2-71.7-174.6-70.300112.6L173 F174 K175 M179 I209 L212 Q213L173-M177 WeakPolarHBondContact O-CG 3.35Å; L173-M177 PolarHBondContact O-N 3.24Å; F174-M177 HydrophobicContact CB-CE 4.42Å; F174-M177 HydrophobicContact CD2-CE 4.43Å; F174-M177 PolarHBondContact O-N 3.04Å; K175-M177 PolarHBondContact O-N 3.4Å; M177-M179 VanDerWaalsContact C-N 3.27Å; M177-M179 PolarHBondContact O-N 3.18Å; M177-I209 HydrophobicContact SD-CB 4.33Å; M177-I209 HydrophobicContact SD-CG1 4.29Å; M177-I209 HydrophobicContact SD-CG2 3.81Å; M177-L212 HydrophobicContact CE-CB 3.58Å; M177-L212 HydrophobicContact CE-CD1 3.49Å; M177-L212 VanDerWaalsContact CE-CD1 3.49Å; M177-L212 HydrophobicContact CE-CG 4.2Å; M177-Q213 HydrophobicContact SD-CG 3.99Å
178T79.3Confident83.8Confident59 Ų5957.9 Ų57.936%0.36228%0.278SS..Hα-helixtrans-73.8-13.6179.460.70000114.6F174 K175 W176 E180F174-T178 HydrophobicContact CD1-CG2 4.02Å; F174-T178 HydrophobicContact CE1-CG2 3.59Å; F174-T178 HydrophobicContact CE2-CG2 4.25Å; F174-T178 HydrophobicContact CZ-CG2 3.73Å; F174-T178 WeakPolarHBondContact O-CG2 3.22Å; F174-T178 PolarHBondContact O-N 3.47Å; F174-T178 PolarHBondContact O-OG1 3.06Å; K175-T178 PolarHBondContact O-N 3.27Å; K175-T178 PolarHBondContact O-OG1 3.49Å; W176-T178 VanDerWaalsContact C-N 3.3Å; W176-T178 PolarHBondContact O-N 2.61Å; T178-E180 VanDerWaalsContact C-N 3.28Å; T178-E180 PolarHBondContact O-N 3.3Å
179M73.1Confident83.6Confident70 Ų7061.3 Ų61.335%0.34529%0.294SS..THydrogen-bonded Turntrans-86.23.7-178.4-75.4176.367.600113.3R141 K175 W176 M177 S181R141-M179 HydrophobicContact CB-CE 4.13Å; R141-M179 WeakPolarHBondContact O-CE 3.29Å; K175-M179 HydrophobicContact CD-SD 4.38Å; K175-M179 HydrophobicContact CG-SD 3.97Å; K175-M179 VanDerWaalsContact O-CG 3.26Å; K175-M179 WeakPolarHBondContact O-CG 3.46Å; K175-M179 PolarHBondContact O-N 2.77Å; W176-M179 PolarHBondContact O-N 2.99Å; W176-M179 VanDerWaalsContact O-N 3.11Å; M177-M179 VanDerWaalsContact C-N 3.27Å; M177-M179 PolarHBondContact O-N 3.18Å; M179-S181 PolarHBondContact O-N 3.39Å
180E65.1Low83.5Confident189 Ų18966.9 Ų66.988%0.88332%0.32SS*.THydrogen-bonded Turntrans51.823-177.6-60.5-179.5-176.800113.2T178T178-E180 VanDerWaalsContact C-N 3.28Å; T178-E180 PolarHBondContact O-N 3.3Å
181S68.3Low83.5Confident40 Ų4066.6 Ų66.628%0.2832%0.316SS..  trans-82.8129.3179.1-179.80000109.9W176 M179 K183W176-S181 PolarHBondContact NE1-O 2.93Å; M179-S181 PolarHBondContact O-N 3.39Å; S181-K183 PolarHBondContact O-N 3.45Å; S181-K183 VanDerWaalsContact O-N 3.14Å; S181-K183 PolarHBondContact OG-N 3.31Å; S181-K183 PolarHBondContact OG-O 2.81Å
182E67.8Low83.6Confident189 Ų18966.6 Ų66.688%0.88332%0.316SS*.SBendtrans-61.6-22.4175.5-64.7-175.1175.200112.8
183K79.8Confident83.7Confident156 Ų15668.3 Ų68.368%0.67833%0.328SS*.SBendtrans-138.4145.5-175.4-63.4-176.8-176.5175.90113W176 S181W176-K183 PolarHBondContact NE1-O 3.39Å; S181-K183 PolarHBondContact O-N 3.45Å; S181-K183 VanDerWaalsContact O-N 3.14Å; S181-K183 PolarHBondContact OG-N 3.31Å; S181-K183 PolarHBondContact OG-O 2.81Å
184I82.1Confident83.9Confident42 Ų4271.3 Ų71.322%0.21534%0.344CS..  trans-66.2137.1167.6-61.7176.1000107.7L173 W176 Q188 E189 L192L173-I184 HydrophobicContact CD2-CD1 4.11Å; W176-I184 HydrophobicContact CD2-CD1 4.2Å; W176-I184 HydrophobicContact CD2-CG1 3.5Å; W176-I184 VanDerWaalsContact CD2-CG1 3.5Å; W176-I184 VanDerWaalsContact CE2-CG1 3.48Å; W176-I184 HydrophobicContact CE3-CD1 4.27Å; W176-I184 HydrophobicContact CE3-CG1 4.07Å; W176-I184 HydrophobicContact CG-CG1 3.71Å; W176-I184 HydrophobicContact CZ2-CG1 4.02Å; I184-Q188 HydrophobicContact CG2-CB 3.52Å; I184-E189 HydrophobicContact CG2-CB 4.45Å; I184-L192 HydrophobicContact CD1-CD1 4.49Å; I184-L192 HydrophobicContact CG2-CD1 4.3Å
185S83.2Confident84.2Confident10 Ų1070.6 Ų70.67%0.0734%0.341CS..  trans-72.2153.3179740000111.4K187 Q188 E189S185-K187 PolarHBondContact O-N 2.92Å; S185-K187 VanDerWaalsContact O-N 3.17Å; S185-Q188 WeakPolarHBondContact O-CB 3.29Å; S185-Q188 PolarHBondContact O-N 3.41Å; S185-Q188 WeakPolarHBondContact OG-CB 3.19Å; S185-Q188 WeakPolarHBondContact OG-CG 3.3Å; S185-Q188 PolarHBondContact OG-N 3.31Å; S185-E189 PolarHBondContact O-N 3.4Å
186E85.6Confident84.6Confident176 Ų17670.6 Ų70.682%0.82234%0.341SS*.Hα-helixtrans-54.5-38.6178.3-65.7179.5174.400112.3E189 E190E186-E189 PolarHBondContact O-N 3.48Å; E186-E190 WeakPolarHBondContact O-CB 3.26Å; E186-E190 PolarHBondContact O-N 3.31Å
187K82.9Confident85Confident112 Ų11276 Ų7649%0.48737%0.368SS..Hα-helixtrans-70.7-32.9178.9-56.2-168.5-173.31780113E142 S185 I191E142-K187 HydrophobicContact CG-CB 4.21Å; E142-K187 HydrophobicContact CG-CD 4.34Å; E142-K187 WeakPolarHBondContact OE1-CB 3.48Å; E142-K187 WeakPolarHBondContact OE1-CD 3.43Å; E142-K187 IonicContact OE1-NZ 2.8Å; S185-K187 PolarHBondContact O-N 2.92Å; S185-K187 VanDerWaalsContact O-N 3.17Å; K187-I191 PolarHBondContact O-N 2.91Å
188Q85.5Confident85.6Confident7 Ų778.2 Ų78.23%0.03338%0.377CS..Hα-helixtrans-71.7-40.9171.9-78.2175.1-25.300110.6I172 I184 S185 I191 L192I172-Q188 HydrophobicContact CG2-CB 4.45Å; I172-Q188 HydrophobicContact CG2-CG 4.21Å; I184-Q188 HydrophobicContact CG2-CB 3.52Å; S185-Q188 WeakPolarHBondContact O-CB 3.29Å; S185-Q188 PolarHBondContact O-N 3.41Å; S185-Q188 WeakPolarHBondContact OG-CB 3.19Å; S185-Q188 WeakPolarHBondContact OG-CG 3.3Å; S185-Q188 PolarHBondContact OG-N 3.31Å; Q188-I191 VanDerWaalsContact O-CG2 3.31Å; Q188-I191 WeakPolarHBondContact O-CG2 3.41Å; Q188-I191 PolarHBondContact O-N 3.27Å; Q188-L192 WeakPolarHBondContact O-CB 3.25Å; Q188-L192 WeakPolarHBondContact O-CD1 3.28Å; Q188-L192 WeakPolarHBondContact O-CG 3.42Å; Q188-L192 PolarHBondContact O-N 3.31Å
189E90.8Very high86.4Confident72 Ų7276.5 Ų76.534%0.33637%0.365SS..Hα-helixtrans-59.2-49.4176.7-170.558.2-139.400110.9I184 S185 E186 I191 L192 S193 R205I184-E189 HydrophobicContact CG2-CB 4.45Å; S185-E189 PolarHBondContact O-N 3.4Å; E186-E189 PolarHBondContact O-N 3.48Å; E189-I191 PolarHBondContact O-N 3.21Å; E189-L192 PolarHBondContact O-N 2.97Å; E189-S193 PolarHBondContact O-N 3.28Å; E189-S193 PolarHBondContact O-OG 3.35Å; E189-S193 VanDerWaalsContact O-OG 3.08Å; E189-R205 IonicContact OE1-CZ 2.6Å; E189-R205 VanDerWaalsContact OE1-CZ 3.24Å; E189-R205 IonicContact OE1-NH1 3.23Å; E189-R205 PolarHBondContact OE1-NH1 3.44Å; E189-R205 IonicContact OE1-NH2 2.97Å; E189-R205 PolarHBondContact OE1-NH2 3.11Å; E189-R205 IonicContact OE2-CZ 2.88Å; E189-R205 IonicContact OE2-NH1 2.7Å; E189-R205 PolarHBondContact OE2-NH1 2.94Å; E189-R205 IonicContact OE2-NH2 3.48Å
190E92Very high87.4Confident119 Ų11978.1 Ų78.156%0.55638%0.38SS*.Hα-helixtrans-53.8-50.6177.9-177.2-174.4-174.600112.1E186 L192 S193 I194E186-E190 WeakPolarHBondContact O-CB 3.26Å; E186-E190 PolarHBondContact O-N 3.31Å; E190-L192 VanDerWaalsContact C-N 3.34Å; E190-L192 PolarHBondContact O-N 3.34Å; E190-S193 PolarHBondContact O-N 3.48Å; E190-I194 HydrophobicContact CG-CD1 4.32Å; E190-I194 WeakPolarHBondContact O-CG1 3.42Å; E190-I194 PolarHBondContact O-N 2.96Å
191I92.5Very high88.7Confident4 Ų475.2 Ų75.22%0.02137%0.371CS..Hα-helixtrans-71.3-31.1-176.8-160.465.2000112.6L149 K150 L153 I172 K187 Q188 E189 I194 L195L149-I191 HydrophobicContact CB-CG1 4.49Å; L149-I191 HydrophobicContact CD2-CD1 4.16Å; L149-I191 HydrophobicContact CD2-CG1 3.57Å; L149-I191 HydrophobicContact CG-CD1 4.08Å; L149-I191 HydrophobicContact CG-CG1 3.96Å; K150-I191 HydrophobicContact CG-CD1 3.56Å; K150-I191 HydrophobicContact CG-CG1 4.24Å; L153-I191 HydrophobicContact CD1-CD1 3.83Å; I172-I191 HydrophobicContact CD1-CG2 4.15Å; K187-I191 PolarHBondContact O-N 2.91Å; Q188-I191 VanDerWaalsContact O-CG2 3.31Å; Q188-I191 WeakPolarHBondContact O-CG2 3.41Å; Q188-I191 PolarHBondContact O-N 3.27Å; E189-I191 PolarHBondContact O-N 3.21Å; I191-I194 HydrophobicContact CD1-CD1 4.11Å; I191-L195 PolarHBondContact O-N 2.9Å
192L94.9Very high89.9Confident1 Ų174.1 Ų74.11%0.00536%0.362CS..Hα-helixtrans-67.7-44.1173.1-69.3168.9000110.7R169 I172 L173 I184 Q188 E189 E190 I194 L195 E196R169-L192 HydrophobicContact CB-CD2 4.39Å; R169-L192 HydrophobicContact CG-CD2 3.37Å; I172-L192 HydrophobicContact CB-CD2 4.13Å; I172-L192 HydrophobicContact CD1-CD2 4.36Å; I172-L192 HydrophobicContact CG2-CD1 4.3Å; I172-L192 HydrophobicContact CG2-CD2 3.93Å; I172-L192 HydrophobicContact CG2-CG 4.13Å; L173-L192 HydrophobicContact CD2-CD1 3.96Å; L173-L192 HydrophobicContact CG-CD2 4.38Å; I184-L192 HydrophobicContact CD1-CD1 4.49Å; I184-L192 HydrophobicContact CG2-CD1 4.3Å; Q188-L192 WeakPolarHBondContact O-CB 3.25Å; Q188-L192 WeakPolarHBondContact O-CD1 3.28Å; Q188-L192 WeakPolarHBondContact O-CG 3.42Å; Q188-L192 PolarHBondContact O-N 3.31Å; E189-L192 PolarHBondContact O-N 2.97Å; E190-L192 VanDerWaalsContact C-N 3.34Å; E190-L192 PolarHBondContact O-N 3.34Å; L192-I194 VanDerWaalsContact C-N 3.33Å; L192-I194 PolarHBondContact O-N 3.28Å; L192-L195 WeakPolarHBondContact O-CB 3.16Å; L192-L195 PolarHBondContact O-N 3.44Å; L192-L195 VanDerWaalsContact O-N 3.14Å; L192-E196 WeakPolarHBondContact O-CG 3.49Å; L192-E196 PolarHBondContact O-N 3.46Å
193S95.8Very high91Very high37 Ų3767.2 Ų67.226%0.25933%0.333SS..Hα-helixtrans-60.2-41176.1-61.30000112E189 E190 L195 E196 E197E189-S193 PolarHBondContact O-N 3.28Å; E189-S193 PolarHBondContact O-OG 3.35Å; E189-S193 VanDerWaalsContact O-OG 3.08Å; E190-S193 PolarHBondContact O-N 3.48Å; S193-L195 VanDerWaalsContact C-N 3.28Å; S193-L195 PolarHBondContact O-N 3.36Å; S193-E196 PolarHBondContact O-N 3.39Å; S193-E196 VanDerWaalsContact O-N 3.09Å; S193-E197 WeakPolarHBondContact O-CG 3.31Å; S193-E197 PolarHBondContact O-N 3.26Å
194I95.7Very high91.7Very high63 Ų6363.4 Ų63.432%0.32333%0.325SS..Hα-helixtrans-58.3-40.6175.6-68.9165.2000111.5L153 E190 I191 L192 K198L153-I194 HydrophobicContact CD1-CG2 3.75Å; E190-I194 HydrophobicContact CG-CD1 4.32Å; E190-I194 WeakPolarHBondContact O-CG1 3.42Å; E190-I194 PolarHBondContact O-N 2.96Å; I191-I194 HydrophobicContact CD1-CD1 4.11Å; L192-I194 VanDerWaalsContact C-N 3.33Å; L192-I194 PolarHBondContact O-N 3.28Å; I194-K198 VanDerWaalsContact O-CB 3.29Å; I194-K198 WeakPolarHBondContact O-CB 3.44Å; I194-K198 PolarHBondContact O-N 3.06Å
195L95.4Very high92.2Very high0 Ų063.5 Ų63.50%032%0.322CS..Hα-helixtrans-66.8-41.1175.4-70.7-178.3000112L149 I160 A165 R169 I191 L192 S193 K198 F199 L202L149-L195 HydrophobicContact CD1-CD2 3.8Å; L149-L195 HydrophobicContact CD2-CD1 3.6Å; L149-L195 HydrophobicContact CD2-CD2 3.77Å; L149-L195 HydrophobicContact CD2-CG 3.68Å; L149-L195 HydrophobicContact CG-CD2 4.41Å; I160-L195 HydrophobicContact CG2-CD2 4.2Å; A165-L195 HydrophobicContact CB-CD1 4.5Å; A165-L195 HydrophobicContact CB-CD2 3.86Å; R169-L195 HydrophobicContact CB-CD1 4.02Å; R169-L195 HydrophobicContact CG-CD1 4.35Å; I191-L195 PolarHBondContact O-N 2.9Å; L192-L195 WeakPolarHBondContact O-CB 3.16Å; L192-L195 PolarHBondContact O-N 3.44Å; L192-L195 VanDerWaalsContact O-N 3.14Å; S193-L195 VanDerWaalsContact C-N 3.28Å; S193-L195 PolarHBondContact O-N 3.36Å; L195-K198 PolarHBondContact O-N 3.1Å; L195-F199 HydrophobicContact CD2-CE2 4.46Å; L195-F199 WeakPolarHBondContact O-CB 3.44Å; L195-F199 WeakPolarHBondContact O-CD2 3.37Å; L195-F199 PolarHBondContact O-N 2.68Å; L195-L202 HydrophobicContact CB-CD1 4.44Å
196E95.2Very high92.5Very high49 Ų4968.1 Ų68.123%0.22934%0.343CS..Hα-helixtrans-71-38.7-175.4-71165.4168.500112.2R169 L192 S193 K198 F199 P200 R205R169-E196 IonicContact NH1-OE1 3.24Å; L192-E196 WeakPolarHBondContact O-CG 3.49Å; L192-E196 PolarHBondContact O-N 3.46Å; S193-E196 PolarHBondContact O-N 3.39Å; S193-E196 VanDerWaalsContact O-N 3.09Å; E196-K198 VanDerWaalsContact C-N 3.35Å; E196-F199 CarbonylContact O-C 3.55Å; E196-F199 VanDerWaalsContact O-C 3.32Å; E196-P200 WeakPolarHBondContact O-CA 3.43Å; E196-R205 VanDerWaalsContact OE1-CG 3.27Å; E196-R205 WeakPolarHBondContact OE1-CG 3.5Å; E196-R205 IonicContact OE1-CZ 2.77Å; E196-R205 IonicContact OE1-NE 3.4Å; E196-R205 PolarHBondContact OE1-NE 3.14Å; E196-R205 IonicContact OE1-NH2 2.77Å; E196-R205 IonicContact OE2-CZ 2.71Å; E196-R205 IonicContact OE2-NE 2.63Å; E196-R205 PolarHBondContact OE2-NE 2.92Å; E196-R205 IonicContact OE2-NH2 3.94Å; E196-R205 PolarHBondContact OE2-NH2 3.41Å
197E96Very high92.7Very high161 Ų16163.7 Ų63.775%0.75233%0.325SS*.Hα-helixtrans-64.7-41.1172.3-71.7179.5-178.400111.5S193S193-E197 WeakPolarHBondContact O-CG 3.31Å; S193-E197 PolarHBondContact O-N 3.26Å
198K95.9Very high93Very high86 Ų8659 Ų5937%0.37431%0.305SS..Hα-helixtrans-73.9-30.8-179.7-170173176.1-175.30112.9P157 I194 L195 E196P157-K198 PolarHBondContact O-NZ 3.13Å; I194-K198 VanDerWaalsContact O-CB 3.29Å; I194-K198 WeakPolarHBondContact O-CB 3.44Å; I194-K198 PolarHBondContact O-N 3.06Å; L195-K198 PolarHBondContact O-N 3.1Å; E196-K198 VanDerWaalsContact C-N 3.35Å
199F96.1Very high93.2Very high24 Ų2459.5 Ų59.511%0.10531%0.308CS..  trans-130.177.1-177.7-55.7-76000110.7I160 E162 A165 L195 E196 N201 L202I160-F199 HydrophobicContact CB-CE2 4.48Å; I160-F199 HydrophobicContact CB-CZ 4.39Å; I160-F199 HydrophobicContact CG2-CE2 3.56Å; I160-F199 HydrophobicContact CG2-CZ 3.83Å; I160-F199 WeakPolarHBondContact O-CZ 3.32Å; E162-F199 HydrophobicContact CB-CD1 3.82Å; E162-F199 HydrophobicContact CB-CE1 4.31Å; E162-F199 HydrophobicContact CB-CG 4.48Å; E162-F199 HydrophobicContact CG-CB 4.35Å; E162-F199 HydrophobicContact CG-CD1 4.23Å; A165-F199 HydrophobicContact CB-CD2 3.44Å; A165-F199 VanDerWaalsContact CB-CD2 3.44Å; A165-F199 HydrophobicContact CB-CE2 3.64Å; A165-F199 HydrophobicContact CB-CG 4.14Å; A165-F199 HydrophobicContact CB-CZ 4.46Å; L195-F199 HydrophobicContact CD2-CE2 4.46Å; L195-F199 WeakPolarHBondContact O-CB 3.44Å; L195-F199 WeakPolarHBondContact O-CD2 3.37Å; L195-F199 PolarHBondContact O-N 2.68Å; E196-F199 CarbonylContact O-C 3.55Å; E196-F199 VanDerWaalsContact O-C 3.32Å; F199-N201 PolarHBondContact O-N 2.72Å; F199-N201 VanDerWaalsContact O-N 3.1Å; F199-L202 HydrophobicContact CB-CD1 3.68Å; F199-L202 HydrophobicContact CB-CD2 4.47Å; F199-L202 HydrophobicContact CB-CG 3.64Å; F199-L202 WeakPolarHBondContact O-CB 3.5Å; F199-L202 VanDerWaalsContact O-CG 3.29Å; F199-L202 WeakPolarHBondContact O-CG 3.38Å; F199-L202 PolarHBondContact O-N 3.29Å
200P94.1Very high93.1Very high104 Ų10458.9 Ų58.968%0.67531%0.307SS*.THydrogen-bonded Turntrans-67.8-13.3-174.227.5-36.4000114E196 L202E196-P200 WeakPolarHBondContact O-CA 3.43Å; P200-L202 VanDerWaalsContact C-N 3.33Å
201N94.1Very high92.8Very high127 Ų12757 Ų5768%0.67930%0.303SS*.THydrogen-bonded Turntrans-85.4-4.5176.4-59.2-37.9000113.3F199F199-N201 PolarHBondContact O-N 2.72Å; F199-N201 VanDerWaalsContact O-N 3.1Å
202L92.6Very high92.4Very high17 Ų1757.3 Ų57.39%0.08931%0.305CS..SBendtrans-58.6143.4174.2-71.1173.6000109.6E162 A165 H166 L195 F199 P200E162-L202 HydrophobicContact CG-CD2 3.99Å; A165-L202 HydrophobicContact CB-CD1 4.19Å; H166-L202 HydrophobicContact CB-CD2 3.72Å; L195-L202 HydrophobicContact CB-CD1 4.44Å; F199-L202 HydrophobicContact CB-CD1 3.68Å; F199-L202 HydrophobicContact CB-CD2 4.47Å; F199-L202 HydrophobicContact CB-CG 3.64Å; F199-L202 WeakPolarHBondContact O-CB 3.5Å; F199-L202 VanDerWaalsContact O-CG 3.29Å; F199-L202 WeakPolarHBondContact O-CG 3.38Å; F199-L202 PolarHBondContact O-N 3.29Å; P200-L202 VanDerWaalsContact C-N 3.33Å
203P91.5Very high91.9Very high44 Ų4461 Ų6129%0.28632%0.322SS..PPolyproline II helixtrans-59.6164.317923.4-32.4000111.1R169 I208R169-P203 PolarHBondContact NH1-O 3.36Å; R169-P203 PolarHBondContact NH2-O 2.97Å; P203-I208 HydrophobicContact CG-CD1 4.29Å; P203-I208 HydrophobicContact CG-CG1 4.18Å
204P93.1Very high91.2Very high77 Ų7765.4 Ų65.450%0.534%0.338SS..PPolyproline II helixtrans-51.2150.2165.6-26.632.9000112.8R169 E206 D207R169-P204 PolarHBondContact NH2-O 3.24Å; P204-E206 VanDerWaalsContact C-N 3.27Å; P204-E206 PolarHBondContact O-N 3Å; P204-D207 VanDerWaalsContact CD-OD2 3.26Å; P204-D207 WeakPolarHBondContact CD-OD2 3.31Å; P204-D207 PolarHBondContact O-N 3.39Å
205R92.9Very high90.5Very high43 Ų4362.9 Ų62.916%0.16233%0.326CS..Hα-helixtrans-61.6-39.6174.9-66.6-174.6-174.2171.811.1111.6L173 E189 E196 D207 I208 I209L173-R205 HydrophobicContact CD1-CB 4.23Å; L173-R205 HydrophobicContact CD1-CG 4.32Å; E189-R205 IonicContact OE1-CZ 2.6Å; E189-R205 VanDerWaalsContact OE1-CZ 3.24Å; E189-R205 IonicContact OE1-NH1 3.23Å; E189-R205 PolarHBondContact OE1-NH1 3.44Å; E189-R205 IonicContact OE1-NH2 2.97Å; E189-R205 PolarHBondContact OE1-NH2 3.11Å; E189-R205 IonicContact OE2-CZ 2.88Å; E189-R205 IonicContact OE2-NH1 2.7Å; E189-R205 PolarHBondContact OE2-NH1 2.94Å; E189-R205 IonicContact OE2-NH2 3.48Å; E196-R205 VanDerWaalsContact OE1-CG 3.27Å; E196-R205 WeakPolarHBondContact OE1-CG 3.5Å; E196-R205 IonicContact OE1-CZ 2.77Å; E196-R205 IonicContact OE1-NE 3.4Å; E196-R205 PolarHBondContact OE1-NE 3.14Å; E196-R205 IonicContact OE1-NH2 2.77Å; E196-R205 IonicContact OE2-CZ 2.71Å; E196-R205 IonicContact OE2-NE 2.63Å; E196-R205 PolarHBondContact OE2-NE 2.92Å; E196-R205 IonicContact OE2-NH2 3.94Å; E196-R205 PolarHBondContact OE2-NH2 3.41Å; R205-D207 VanDerWaalsContact C-N 3.28Å; R205-D207 PolarHBondContact O-N 3.17Å; R205-I208 WeakPolarHBondContact O-CB 3.45Å; R205-I208 PolarHBondContact O-N 3.26Å; R205-I208 VanDerWaalsContact O-N 3.09Å; R205-I209 HydrophobicContact CB-CD1 4.44Å; R205-I209 WeakPolarHBondContact O-CG1 3.48Å; R205-I209 PolarHBondContact O-N 3.46Å
206E90.6Very high89.5Confident108 Ų10865.1 Ų65.151%0.50534%0.336SS..Hα-helixtrans-56.2-41.4179.2-171.957.2-149.500112.1P204 I208 I209 N210P204-E206 VanDerWaalsContact C-N 3.27Å; P204-E206 PolarHBondContact O-N 3Å; E206-I208 VanDerWaalsContact C-N 3.33Å; E206-I208 PolarHBondContact O-N 2.82Å; E206-I209 PolarHBondContact O-N 2.84Å; E206-N210 WeakPolarHBondContact CG-ND2 3.45Å; E206-N210 WeakPolarHBondContact O-CB 3.39Å; E206-N210 VanDerWaalsContact O-CG 3.31Å; E206-N210 PolarHBondContact O-N 3.45Å; E206-N210 PolarHBondContact O-ND2 2.99Å; E206-N210 PolarHBondContact OE1-ND2 2.87Å; E206-N210 PolarHBondContact OE1-OD1 2.81Å
207D90Very high88.4Confident83 Ų8368.8 Ų68.844%0.44435%0.352SS..Hα-helixtrans-63.3-40.9177.6-63.6-2.1000111.3P204 R205 V211P204-D207 VanDerWaalsContact CD-OD2 3.26Å; P204-D207 WeakPolarHBondContact CD-OD2 3.31Å; P204-D207 PolarHBondContact O-N 3.39Å; R205-D207 VanDerWaalsContact C-N 3.28Å; R205-D207 PolarHBondContact O-N 3.17Å; D207-V211 WeakPolarHBondContact O-CB 2.97Å; D207-V211 VanDerWaalsContact O-CG2 3.24Å; D207-V211 WeakPolarHBondContact O-CG2 3.32Å; D207-V211 PolarHBondContact O-N 2.96Å
208I88.7Confident87.3Confident13 Ų1364 Ų647%0.06734%0.336CS..Hα-helixtrans-67-44175.5-63.4-167.7000110.9H166 L173 P203 R205 E206 V211 L212H166-I208 VanDerWaalsContact CE1-CD1 3.42Å; H166-I208 WeakPolarHBondContact CE1-CD1 3.45Å; L173-I208 HydrophobicContact CD1-CB 4.23Å; L173-I208 HydrophobicContact CD1-CG2 4.04Å; P203-I208 HydrophobicContact CG-CD1 4.29Å; P203-I208 HydrophobicContact CG-CG1 4.18Å; R205-I208 WeakPolarHBondContact O-CB 3.45Å; R205-I208 PolarHBondContact O-N 3.26Å; R205-I208 VanDerWaalsContact O-N 3.09Å; E206-I208 VanDerWaalsContact C-N 3.33Å; E206-I208 PolarHBondContact O-N 2.82Å; I208-V211 PolarHBondContact O-N 3.47Å; I208-L212 HydrophobicContact CG2-CD1 3.62Å; I208-L212 HydrophobicContact CG2-CG 4.12Å; I208-L212 WeakPolarHBondContact O-CB 3.17Å; I208-L212 VanDerWaalsContact O-CG 3.23Å; I208-L212 WeakPolarHBondContact O-CG 3.45Å; I208-L212 PolarHBondContact O-N 3.46Å
209I89.1Confident86.1Confident18 Ų1860 Ų609%0.09232%0.318CS..Hα-helixtrans-59.9-48.8179.5-72.3164.4000110W176 M177 R205 E206 V211 L212 Q213W176-I209 HydrophobicContact CZ3-CD1 3.89Å; W176-I209 HydrophobicContact CZ3-CG1 4.35Å; M177-I209 HydrophobicContact SD-CB 4.33Å; M177-I209 HydrophobicContact SD-CG1 4.29Å; M177-I209 HydrophobicContact SD-CG2 3.81Å; R205-I209 HydrophobicContact CB-CD1 4.44Å; R205-I209 WeakPolarHBondContact O-CG1 3.48Å; R205-I209 PolarHBondContact O-N 3.46Å; E206-I209 PolarHBondContact O-N 2.84Å; I209-V211 PolarHBondContact O-N 3.35Å; I209-L212 PolarHBondContact O-N 2.62Å; I209-Q213 HydrophobicContact CG2-CG 4.37Å; I209-Q213 WeakPolarHBondContact O-CB 3.4Å; I209-Q213 VanDerWaalsContact O-CG 3.29Å; I209-Q213 WeakPolarHBondContact O-CG 3.33Å; I209-Q213 PolarHBondContact O-N 2.87Å
210N87.9Confident84.8Confident59 Ų5960.9 Ų60.932%0.31632%0.323SS..Hα-helixtrans-60.7-47.3179.1-74.2-40.7000111.6E206 L212 Q213 E214E206-N210 WeakPolarHBondContact CG-ND2 3.45Å; E206-N210 WeakPolarHBondContact O-CB 3.39Å; E206-N210 VanDerWaalsContact O-CG 3.31Å; E206-N210 PolarHBondContact O-N 3.45Å; E206-N210 PolarHBondContact O-ND2 2.99Å; E206-N210 PolarHBondContact OE1-ND2 2.87Å; E206-N210 PolarHBondContact OE1-OD1 2.81Å; N210-L212 PolarHBondContact O-N 3.47Å; N210-Q213 PolarHBondContact O-N 2.63Å; N210-E214 WeakPolarHBondContact O-CB 3.46Å; N210-E214 WeakPolarHBondContact O-CG 3.23Å; N210-E214 PolarHBondContact O-N 3.18Å
211V86.4Confident83.5Confident78 Ų7856.8 Ų56.847%0.47330%0.3SS..Hα-helixtrans-59.5-47.2176.1169.60000111D207 I208 I209 Q213 E214 T215D207-V211 WeakPolarHBondContact O-CB 2.97Å; D207-V211 VanDerWaalsContact O-CG2 3.24Å; D207-V211 WeakPolarHBondContact O-CG2 3.32Å; D207-V211 PolarHBondContact O-N 2.96Å; I208-V211 PolarHBondContact O-N 3.47Å; I209-V211 PolarHBondContact O-N 3.35Å; V211-Q213 PolarHBondContact O-N 2.9Å; V211-E214 PolarHBondContact O-N 3.3Å; V211-T215 WeakPolarHBondContact O-CB 3.3Å; V211-T215 PolarHBondContact O-N 3.44Å; V211-T215 PolarHBondContact O-OG1 3.47Å
212L84.6Confident82.1Confident12 Ų1254.1 Ų54.16%0.06329%0.285CS..Hα-helixtrans-65.4-38.2-179.5-74.1173.8000112.5L32 I75 G170 F174 M177 I208 I209 N210 T215 Q216L32-L212 HydrophobicContact CD2-CD2 4.46Å; I75-L212 HydrophobicContact CG2-CD2 4.21Å; G170-L212 WeakPolarHBondContact O-CD1 3.29Å; F174-L212 HydrophobicContact CB-CD1 4.02Å; F174-L212 HydrophobicContact CD2-CD1 4.48Å; F174-L212 HydrophobicContact CD2-CD2 4.26Å; M177-L212 HydrophobicContact CE-CB 3.58Å; M177-L212 HydrophobicContact CE-CD1 3.49Å; M177-L212 VanDerWaalsContact CE-CD1 3.49Å; M177-L212 HydrophobicContact CE-CG 4.2Å; I208-L212 HydrophobicContact CG2-CD1 3.62Å; I208-L212 HydrophobicContact CG2-CG 4.12Å; I208-L212 WeakPolarHBondContact O-CB 3.17Å; I208-L212 VanDerWaalsContact O-CG 3.23Å; I208-L212 WeakPolarHBondContact O-CG 3.45Å; I208-L212 PolarHBondContact O-N 3.46Å; I209-L212 PolarHBondContact O-N 2.62Å; N210-L212 PolarHBondContact O-N 3.47Å; L212-T215 PolarHBondContact O-N 2.85Å; L212-Q216 VanDerWaalsContact O-CB 3.32Å; L212-Q216 WeakPolarHBondContact O-CB 3.24Å; L212-Q216 PolarHBondContact O-N 3.33Å
213Q83.8Confident80.9Confident77 Ų7755.4 Ų55.436%0.3630%0.296SS..Hα-helixtrans-63.7-51.6174.4-75.9177.6-9.400110.9M177 I209 N210 V211 T215 Q216 F217M177-Q213 HydrophobicContact SD-CG 3.99Å; I209-Q213 HydrophobicContact CG2-CG 4.37Å; I209-Q213 WeakPolarHBondContact O-CB 3.4Å; I209-Q213 VanDerWaalsContact O-CG 3.29Å; I209-Q213 WeakPolarHBondContact O-CG 3.33Å; I209-Q213 PolarHBondContact O-N 2.87Å; N210-Q213 PolarHBondContact O-N 2.63Å; V211-Q213 PolarHBondContact O-N 2.9Å; Q213-T215 PolarHBondContact O-N 3.41Å; Q213-Q216 PolarHBondContact O-N 2.93Å; Q213-F217 HydrophobicContact CB-CE2 4.31Å; Q213-F217 WeakPolarHBondContact O-CD2 3.39Å; Q213-F217 PolarHBondContact O-N 3.44Å
214E82.5Confident79.8Confident130 Ų13054.1 Ų54.161%0.60729%0.286SS*.Hα-helixtrans-57.4-39.4176.1-72.8-178.7176.500111.9N210 V211 F217 S218N210-E214 WeakPolarHBondContact O-CB 3.46Å; N210-E214 WeakPolarHBondContact O-CG 3.23Å; N210-E214 PolarHBondContact O-N 3.18Å; V211-E214 PolarHBondContact O-N 3.3Å; E214-F217 PolarHBondContact O-N 2.87Å; E214-S218 WeakPolarHBondContact O-CB 3.21Å; E214-S218 PolarHBondContact O-N 3.27Å; E214-S218 PolarHBondContact O-OG 3.5Å
215T79.2Confident78.6Confident10 Ų1055.2 Ų55.26%0.06129%0.285CS..Hα-helixtrans-66.8-43.3178.4-59.50000111.2F74 I75 E78 V211 L212 Q213 S218 A219F74-T215 HydrophobicContact CD1-CG2 3.32Å; F74-T215 WeakPolarHBondContact CD1-O 3.46Å; F74-T215 HydrophobicContact CE1-CG2 3.48Å; F74-T215 VanDerWaalsContact CE1-CG2 3.48Å; F74-T215 HydrophobicContact CG-CG2 4.5Å; I75-T215 HydrophobicContact CB-CG2 4.15Å; I75-T215 HydrophobicContact CG1-CG2 3.39Å; E78-T215 HydrophobicContact CG-CG2 4.35Å; V211-T215 WeakPolarHBondContact O-CB 3.3Å; V211-T215 PolarHBondContact O-N 3.44Å; V211-T215 PolarHBondContact O-OG1 3.47Å; L212-T215 PolarHBondContact O-N 2.85Å; Q213-T215 PolarHBondContact O-N 3.41Å; T215-S218 PolarHBondContact O-N 2.89Å; T215-A219 WeakPolarHBondContact O-CB 3.46Å; T215-A219 PolarHBondContact O-N 3.22Å
216Q75.6Confident77.3Confident47 Ų4758.1 Ų58.122%0.2230%0.3CS..Hα-helixtrans-63.3-43.9175.2175.7168.871.400111.8E71 L212 Q213 S218 A219 Q220E71-Q216 VanDerWaalsContact OE1-CG 3.3Å; E71-Q216 WeakPolarHBondContact OE1-CG 3.42Å; E71-Q216 PolarHBondContact OE1-NE2 2.85Å; L212-Q216 VanDerWaalsContact O-CB 3.32Å; L212-Q216 WeakPolarHBondContact O-CB 3.24Å; L212-Q216 PolarHBondContact O-N 3.33Å; Q213-Q216 PolarHBondContact O-N 2.93Å; Q216-S218 VanDerWaalsContact C-N 3.35Å; Q216-S218 PolarHBondContact O-N 3.21Å; Q216-A219 PolarHBondContact O-N 3.06Å; Q216-Q220 WeakPolarHBondContact O-CB 3.42Å; Q216-Q220 WeakPolarHBondContact O-CG 3.11Å; Q216-Q220 PolarHBondContact O-N 3.5Å
217F71.8Confident76.2Confident127 Ų12755.4 Ų55.456%0.55729%0.291SS*.Hα-helixtrans-61.3-43.2174.9-73.7-62.5000112Q213 E214 Q220 G221Q213-F217 HydrophobicContact CB-CE2 4.31Å; Q213-F217 WeakPolarHBondContact O-CD2 3.39Å; Q213-F217 PolarHBondContact O-N 3.44Å; E214-F217 PolarHBondContact O-N 2.87Å; F217-Q220 PolarHBondContact O-N 3.28Å; F217-G221 PolarHBondContact O-N 2.95Å
218S73.2Confident75.3Confident61 Ų6153.1 Ų53.143%0.42728%0.278SS..Hα-helixtrans-65.9-44.6179.1-59.50000111.9E214 T215 Q216 Q220 G221 L222E214-S218 WeakPolarHBondContact O-CB 3.21Å; E214-S218 PolarHBondContact O-N 3.27Å; E214-S218 PolarHBondContact O-OG 3.5Å; T215-S218 PolarHBondContact O-N 2.89Å; Q216-S218 VanDerWaalsContact C-N 3.35Å; Q216-S218 PolarHBondContact O-N 3.21Å; S218-Q220 VanDerWaalsContact C-N 3.34Å; S218-Q220 PolarHBondContact O-N 3.46Å; S218-G221 PolarHBondContact O-N 2.96Å; S218-L222 PolarHBondContact O-N 2.82Å
219A70.3Confident74.4Confident0 Ų058.4 Ų58.40%031%0.306CS..Hα-helixtrans-58.1-42.5174.300000113.6E71 F74 T215 Q216 G221 L222 S223E71-A219 VanDerWaalsContact CA-CB 3.43Å; E71-A219 HydrophobicContact CB-CB 3.7Å; E71-A219 HydrophobicContact CG-CB 3.75Å; F74-A219 HydrophobicContact CB-CB 4.25Å; F74-A219 HydrophobicContact CD1-CB 4.14Å; F74-A219 HydrophobicContact CG-CB 4.47Å; T215-A219 WeakPolarHBondContact O-CB 3.46Å; T215-A219 PolarHBondContact O-N 3.22Å; Q216-A219 PolarHBondContact O-N 3.06Å; A219-G221 VanDerWaalsContact C-N 3.34Å; A219-L222 PolarHBondContact O-N 3.37Å; A219-S223 PolarHBondContact O-N 2.87Å
220Q68.6Low73.3Confident43 Ų4365 Ų6520%0.20133%0.334CS..Hα-helixtrans-64.5-40.8175.6-73.2166.81.200110.9Q216 F217 S218 L222 S223 I224 M253Q216-Q220 WeakPolarHBondContact O-CB 3.42Å; Q216-Q220 WeakPolarHBondContact O-CG 3.11Å; Q216-Q220 PolarHBondContact O-N 3.5Å; F217-Q220 PolarHBondContact O-N 3.28Å; S218-Q220 VanDerWaalsContact C-N 3.34Å; S218-Q220 PolarHBondContact O-N 3.46Å; Q220-L222 PolarHBondContact O-N 3.29Å; Q220-S223 WeakPolarHBondContact O-CB 3.34Å; Q220-S223 PolarHBondContact O-N 3.39Å; Q220-I224 VanDerWaalsContact O-CG1 3.29Å; Q220-I224 WeakPolarHBondContact O-CG1 3.35Å; Q220-I224 PolarHBondContact O-N 2.81Å; Q220-M253 HydrophobicContact CB-CE 3.96Å; Q220-M253 HydrophobicContact CG-CE 3.85Å
221G67.1Low72.3Confident19 Ų1966.1 Ų66.120%0.19634%0.34CS..Hα-helixtrans-55.8-49.8172.300000112.6F217 S218 A219 S223 I224 E225F217-G221 PolarHBondContact O-N 2.95Å; S218-G221 PolarHBondContact O-N 2.96Å; A219-G221 VanDerWaalsContact C-N 3.34Å; G221-S223 PolarHBondContact O-N 3.45Å; G221-I224 PolarHBondContact O-N 2.71Å; G221-E225 WeakPolarHBondContact O-CG 3.45Å; G221-E225 PolarHBondContact O-N 3.33Å
222L64.6Low71.8Confident70 Ų7065.4 Ų65.437%0.36633%0.333SS..Hα-helixtrans-61.2-41.2176.7-70.5170.6000112.6F74 S218 A219 Q220 I224 E225 Q226F74-L222 HydrophobicContact CD2-CD1 3.92Å; F74-L222 HydrophobicContact CE2-CD1 4.28Å; F74-L222 HydrophobicContact CG-CD1 4.46Å; S218-L222 PolarHBondContact O-N 2.82Å; A219-L222 PolarHBondContact O-N 3.37Å; Q220-L222 PolarHBondContact O-N 3.29Å; L222-I224 VanDerWaalsContact C-N 3.33Å; L222-I224 PolarHBondContact O-N 2.86Å; L222-E225 PolarHBondContact O-N 3.21Å; L222-Q226 WeakPolarHBondContact O-CB 3.24Å; L222-Q226 VanDerWaalsContact O-CG 3.3Å; L222-Q226 WeakPolarHBondContact O-CG 3.48Å; L222-Q226 PolarHBondContact O-N 3.46Å
223S67.7Low71.5Confident44 Ų4472 Ų7231%0.30836%0.361SS..Hα-helixtrans-60.7-42.8176.7-170.70000111.8T70 A219 Q220 G221 T227T70-S223 WeakPolarHBondContact OG1-CB 3.38Å; A219-S223 PolarHBondContact O-N 2.87Å; Q220-S223 WeakPolarHBondContact O-CB 3.34Å; Q220-S223 PolarHBondContact O-N 3.39Å; G221-S223 PolarHBondContact O-N 3.45Å; S223-T227 WeakPolarHBondContact O-CB 3.42Å; S223-T227 PolarHBondContact O-N 3.41Å; S223-T227 PolarHBondContact O-OG1 3.33Å
224I68.8Low71.3Confident17 Ų1775.7 Ų75.79%0.08738%0.379CS..Hα-helixtrans-64.7-49176.8-67.4164.3000110Q220 G221 L222 Q226 T227 M228 M249 I256 L258Q220-I224 VanDerWaalsContact O-CG1 3.29Å; Q220-I224 WeakPolarHBondContact O-CG1 3.35Å; Q220-I224 PolarHBondContact O-N 2.81Å; G221-I224 PolarHBondContact O-N 2.71Å; L222-I224 VanDerWaalsContact C-N 3.33Å; L222-I224 PolarHBondContact O-N 2.86Å; I224-Q226 VanDerWaalsContact C-N 3.34Å; I224-Q226 PolarHBondContact O-N 3.36Å; I224-T227 PolarHBondContact O-N 3.08Å; I224-M228 HydrophobicContact CG2-CG 4.25Å; I224-M228 HydrophobicContact CG2-SD 3.99Å; I224-M228 WeakPolarHBondContact O-CB 3.38Å; I224-M228 VanDerWaalsContact O-CG 3.26Å; I224-M228 WeakPolarHBondContact O-CG 3.38Å; I224-M228 PolarHBondContact O-N 2.85Å; I224-M249 HydrophobicContact CD1-CE 4.31Å; I224-M249 HydrophobicContact CG1-CE 4.23Å; I224-M249 HydrophobicContact CG2-CE 3.87Å; I224-I256 HydrophobicContact CD1-CD1 4.03Å; I224-L258 HydrophobicContact CG2-CD2 3.97Å
225E67.7Low70.9Confident100 Ų10074.6 Ų74.647%0.46738%0.376SS..Hα-helixtrans-57.7-45.4178.3-73-177.1176.700112.1G221 L222 M228 L229G221-E225 WeakPolarHBondContact O-CG 3.45Å; G221-E225 PolarHBondContact O-N 3.33Å; L222-E225 PolarHBondContact O-N 3.21Å; E225-M228 WeakPolarHBondContact O-CB 3.48Å; E225-M228 PolarHBondContact O-N 3Å; E225-L229 WeakPolarHBondContact O-CG 3.29Å; E225-L229 PolarHBondContact O-N 3.14Å
226Q66.1Low70.9Confident104 Ų10478.7 Ų78.749%0.48641%0.405SS..Hα-helixtrans-65.1-40.2177.5-72178.8-3.300112.1L222 I224 M228 L229 K230L222-Q226 WeakPolarHBondContact O-CB 3.24Å; L222-Q226 VanDerWaalsContact O-CG 3.3Å; L222-Q226 WeakPolarHBondContact O-CG 3.48Å; L222-Q226 PolarHBondContact O-N 3.46Å; I224-Q226 VanDerWaalsContact C-N 3.34Å; I224-Q226 PolarHBondContact O-N 3.36Å; Q226-M228 VanDerWaalsContact C-N 3.32Å; Q226-L229 PolarHBondContact O-N 3.37Å; Q226-K230 WeakPolarHBondContact O-CB 3.42Å; Q226-K230 PolarHBondContact O-N 3.32Å
227T67.6Low70.8Confident51 Ų5183.1 Ų83.131%0.31343%0.43SS..Hα-helixtrans-63.5-41174.1-570000110.7S223 I224 K230 D231 V247S223-T227 WeakPolarHBondContact O-CB 3.42Å; S223-T227 PolarHBondContact O-N 3.41Å; S223-T227 PolarHBondContact O-OG1 3.33Å; I224-T227 PolarHBondContact O-N 3.08Å; T227-K230 PolarHBondContact O-N 3.42Å; T227-D231 PolarHBondContact O-N 3.21Å; T227-V247 HydrophobicContact CG2-CG1 3.93Å; T227-V247 HydrophobicContact CG2-CG2 4.31Å
228M69.5Low71.2Confident35 Ų3580.6 Ų80.617%0.17244%0.441CS..Hα-helixtrans-61.9-44175-72.5-178.389.300111.6I224 E225 Q226 K230 L232 S245 V247 C289I224-M228 HydrophobicContact CG2-CG 4.25Å; I224-M228 HydrophobicContact CG2-SD 3.99Å; I224-M228 WeakPolarHBondContact O-CB 3.38Å; I224-M228 VanDerWaalsContact O-CG 3.26Å; I224-M228 WeakPolarHBondContact O-CG 3.38Å; I224-M228 PolarHBondContact O-N 2.85Å; E225-M228 WeakPolarHBondContact O-CB 3.48Å; E225-M228 PolarHBondContact O-N 3Å; Q226-M228 VanDerWaalsContact C-N 3.32Å; M228-K230 VanDerWaalsContact C-N 3.33Å; M228-K230 PolarHBondContact O-N 3.03Å; M228-L232 PolarHBondContact O-N 3.06Å; M228-S245 VanDerWaalsContact C-OG 3.28Å; M228-S245 WeakPolarHBondContact CA-OG 3.29Å; M228-S245 WeakPolarHBondContact O-CB 3.47Å; M228-S245 PolarHBondContact O-OG 3.42Å; M228-V247 HydrophobicContact CB-CG2 4.31Å; M228-V247 HydrophobicContact CG-CG2 3.31Å; M228-C289 HydrophobicContact CE-CB 4.34Å
229L70.6Confident71.6Confident125 Ų12587 Ų8765%0.65446%0.464SS*.Hα-helixtrans-67.3-34.6178.6-71.1173.6000112.4E225 Q226 L232E225-L229 WeakPolarHBondContact O-CG 3.29Å; E225-L229 PolarHBondContact O-N 3.14Å; Q226-L229 PolarHBondContact O-N 3.37Å; L229-L232 HydrophobicContact CD2-CD2 4.47Å; L229-L232 WeakPolarHBondContact O-CB 3.27Å; L229-L232 PolarHBondContact O-N 3.16Å
230K66.3Low71.6Confident157 Ų15792 Ų9268%0.68349%0.489SS*.Hα-helixtrans-62.9-43.9-179.5-175.5-179.4177-176.80112.9Q226 T227 M228Q226-K230 WeakPolarHBondContact O-CB 3.42Å; Q226-K230 PolarHBondContact O-N 3.32Å; T227-K230 PolarHBondContact O-N 3.42Å; M228-K230 VanDerWaalsContact C-N 3.33Å; M228-K230 PolarHBondContact O-N 3.03Å
231D66.3Low71.7Confident81 Ų8196 Ų9643%0.43351%0.506SS..THydrogen-bonded Turntrans-100.817.3-178.1-78.9-23000113.2T227 K233T227-D231 PolarHBondContact O-N 3.21Å; D231-K233 PolarHBondContact O-N 3.27Å
232L76.4Confident72.2Confident64 Ų6496.4 Ų96.434%0.33551%0.505SS..  trans-67.7122.9179.2-16470.5000111.1M228 L229 A243 I244M228-L232 PolarHBondContact O-N 3.06Å; L229-L232 HydrophobicContact CD2-CD2 4.47Å; L229-L232 WeakPolarHBondContact O-CB 3.27Å; L229-L232 PolarHBondContact O-N 3.16Å; L232-A243 HydrophobicContact CD1-CB 3.77Å; L232-A243 HydrophobicContact CG-CB 4.26Å; L232-I244 CarbonylContact C-O 3.58Å
233K77Confident72.7Confident150 Ų15094.2 Ų94.265%0.65250%0.497SS*.EExtended strand (participates in β ladder)trans-116.7123.3173-64.9179-176.4174.20109D231 A243 I244D231-K233 PolarHBondContact O-N 3.27Å; K233-A243 CarbonylContact O-C 3.01Å; K233-A243 WeakPolarHBondContact O-CA 3.33Å; K233-I244 PolarHBondContact N-O 2.94Å; K233-I244 PolarHBondContact O-N 2.72Å
234E79.9Confident73.2Confident155 Ų15593.9 Ų93.972%0.72449%0.491SS*.EExtended strand (participates in β ladder)trans-97.6134177.1-64.2-175.3-175.500110.7V242 A243E234-V242 CarbonylContact C-O 3.57Å; E234-V242 WeakPolarHBondContact CA-O 3.48Å; E234-A243 HydrophobicContact CG-CB 4.31Å
235L74.7Confident73.1Confident106 Ų10693.3 Ų93.356%0.55549%0.488SS*.EExtended strand (participates in β ladder)trans-122.6129.3172.9-63.2172.2000108V242 I244L235-V242 PolarHBondContact N-O 3.49Å; L235-V242 PolarHBondContact O-N 3.27Å; L235-I244 HydrophobicContact CD1-CD1 3.91Å
236S79.1Confident73.1Confident97 Ų9791.4 Ų91.468%0.67848%0.484SS*.EExtended strand (participates in β ladder)trans-125.8125.5175.662.60000110.4I240S236-I240 WeakPolarHBondContact CA-O 3.34Å
237D73.7Confident73Confident139 Ų13987 Ų8774%0.74346%0.464SS*.EExtended strand (participates in β ladder)trans-134.5108171.5-175.319.4000109.4E239 I240D237-E239 PolarHBondContact O-N 2.92Å; D237-I240 PolarHBondContact N-O 3.42Å; D237-I240 PolarHBondContact O-N 3.49Å
238G80Confident72.4Confident75 Ų7589 Ų8977%0.77348%0.48SS*.THydrogen-bonded Turntrans56.6-118.1-174.900000113I240G238-I240 VanDerWaalsContact C-N 3.32Å
239E81.6Confident71.9Confident195 Ų19589.5 Ų89.591%0.91148%0.483SS*.THydrogen-bonded Turntrans-80.7-9.8179.1-64.6-174.8166.300113.6D237D237-E239 PolarHBondContact O-N 2.92Å
240I70.1Confident71Confident105 Ų10588.9 Ų88.954%0.53848%0.48SS..EExtended strand (participates in β ladder)trans-98122-174.8-55.1178.7000109.6S236 D237 G238 V242S236-I240 WeakPolarHBondContact CA-O 3.34Å; D237-I240 PolarHBondContact N-O 3.42Å; D237-I240 PolarHBondContact O-N 3.49Å; G238-I240 VanDerWaalsContact C-N 3.32Å; I240-V242 HydrophobicContact CG2-CG2 3.82Å
241K71.1Confident69.9Low126 Ų12684.8 Ų84.855%0.54847%0.465SS..EExtended strand (participates in β ladder)trans-113.1126.6167.2-64.4-177-177.5-178.70109.6
242V78.3Confident69.2Low29 Ų2990 Ų9018%0.17649%0.487CS..EExtended strand (participates in β ladder)trans-123.3131.9177.9-174.90000108.3E234 L235 I240 I244 T290E234-V242 CarbonylContact C-O 3.57Å; E234-V242 WeakPolarHBondContact CA-O 3.48Å; L235-V242 PolarHBondContact N-O 3.49Å; L235-V242 PolarHBondContact O-N 3.27Å; I240-V242 HydrophobicContact CG2-CG2 3.82Å; V242-I244 HydrophobicContact CG1-CD1 4.37Å; V242-I244 HydrophobicContact CG1-CG1 3.87Å; V242-T290 HydrophobicContact CG1-CG2 4.04Å
243A73.7Confident67.7Low23 Ų2390.1 Ų90.119%0.1949%0.486CS..EExtended strand (participates in β ladder)trans-112.4130.9168.500000108.8L232 K233 E234L232-A243 HydrophobicContact CD1-CB 3.77Å; L232-A243 HydrophobicContact CG-CB 4.26Å; K233-A243 CarbonylContact O-C 3.01Å; K233-A243 WeakPolarHBondContact O-CA 3.33Å; E234-A243 HydrophobicContact CG-CB 4.31Å
244I77.9Confident65.9Low37 Ų3787 Ų8719%0.1948%0.483CS..EExtended strand (participates in β ladder)trans-122.9124.8-178-54.2177.4000107.5L232 K233 L235 V242 Q288L232-I244 CarbonylContact C-O 3.58Å; K233-I244 PolarHBondContact N-O 2.94Å; K233-I244 PolarHBondContact O-N 2.72Å; L235-I244 HydrophobicContact CD1-CD1 3.91Å; V242-I244 HydrophobicContact CG1-CD1 4.37Å; V242-I244 HydrophobicContact CG1-CG1 3.87Å; I244-Q288 HydrophobicContact CG2-CG 4.15Å
245S67.3Low64Low5 Ų591.4 Ų91.44%0.03549%0.493CS..EExtended strand (participates in β ladder)trans-125.4151169.5-171.40000110.8M228M228-S245 VanDerWaalsContact C-OG 3.28Å; M228-S245 WeakPolarHBondContact CA-OG 3.29Å; M228-S245 WeakPolarHBondContact O-CB 3.47Å; M228-S245 PolarHBondContact O-OG 3.42Å
246T68.1Low62.4Low61 Ų6188.9 Ų88.937%0.37448%0.48SS..EExtended strand (participates in β ladder)trans-111125178.4-51.10000108.5V286T246-V286 HydrophobicContact CG2-CG1 4.04Å
247V64Low60.6Low12 Ų1292.7 Ų92.77%0.07349%0.487CS..EExtended strand (participates in β ladder)trans-127.7135.6174.9-170.90000108.8T227 M228 M249T227-V247 HydrophobicContact CG2-CG1 3.93Å; T227-V247 HydrophobicContact CG2-CG2 4.31Å; M228-V247 HydrophobicContact CB-CG2 4.31Å; M228-V247 HydrophobicContact CG-CG2 3.31Å; V247-M249 HydrophobicContact CB-CE 3.88Å; V247-M249 HydrophobicContact CG1-CE 3.43Å; V247-M249 VanDerWaalsContact CG1-CE 3.43Å
248S54.8Low59.1Low92 Ų9289.1 Ų89.164%0.64347%0.468SS*.EExtended strand (participates in β ladder)trans-101.1114.8172.2-60.50000108.5
249M59.5Low57.2Low46 Ų4690.2 Ų90.223%0.22745%0.451CS..EExtended strand (participates in β ladder)trans-145.1162.9-179.364.9177.672.700111.5I224 V247I224-M249 HydrophobicContact CD1-CE 4.31Å; I224-M249 HydrophobicContact CG1-CE 4.23Å; I224-M249 HydrophobicContact CG2-CE 3.87Å; V247-M249 HydrophobicContact CB-CE 3.88Å; V247-M249 HydrophobicContact CG1-CE 3.43Å; V247-M249 VanDerWaalsContact CG1-CE 3.43Å
250N50.6Low54.9Low112 Ų11285.4 Ų85.460%0.59944%0.437SS*.  trans-80.9133173.4-167.1-12.2000110.3E252 M253N250-E252 PolarHBondContact O-N 3.07Å; N250-M253 VanDerWaalsContact O-CB 3.29Å; N250-M253 WeakPolarHBondContact O-CB 3.46Å
251L44.8Very low53.1Low71 Ų7191.2 Ų91.237%0.37246%0.459SS..G310 helixtrans-75.8-19.1-169.9-83.9171.5000115M253 S254 T285 L287L251-M253 PolarHBondContact O-N 3.41Å; L251-S254 WeakPolarHBondContact O-CB 3.4Å; L251-S254 PolarHBondContact O-N 2.85Å; L251-S254 PolarHBondContact O-OG 3.24Å; L251-T285 VanDerWaalsContact CD1-CB 3.49Å; L251-T285 HydrophobicContact CD1-CG2 3.89Å; L251-T285 WeakPolarHBondContact CD1-OG1 3.26Å; L251-L287 HydrophobicContact CD2-CD1 3.68Å
252E51.4Low51.2Low190 Ų19087.2 Ų87.289%0.88845%0.453SS*.G310 helixtrans-66.2-9.7177-62.9-146.7152.800113.1N250 S254N250-E252 PolarHBondContact O-N 3.07Å; E252-S254 VanDerWaalsContact C-N 3.3Å; E252-S254 PolarHBondContact O-N 3.03Å
253M44.8Very low48.8Very low66 Ų6692.8 Ų92.833%0.32549%0.487SS..G310 helixtrans-82.11.8179.1-143.7175.3-166.200114.3Q220 N250 L251 R255 I256Q220-M253 HydrophobicContact CB-CE 3.96Å; Q220-M253 HydrophobicContact CG-CE 3.85Å; N250-M253 VanDerWaalsContact O-CB 3.29Å; N250-M253 WeakPolarHBondContact O-CB 3.46Å; L251-M253 PolarHBondContact O-N 3.41Å; M253-R255 PolarHBondContact O-N 3.42Å; M253-I256 HydrophobicContact CE-CD1 4.48Å; M253-I256 HydrophobicContact CG-CD1 3.96Å; M253-I256 PolarHBondContact O-N 2.9Å; M253-I256 HydrophobicContact SD-CD1 4.44Å
254S38.3Very low47Very low84 Ų8498.4 Ų98.459%0.58750%0.504SS*.THydrogen-bonded Turntrans-69.912.5-166.2-58.90000117.1L251 E252 I256L251-S254 WeakPolarHBondContact O-CB 3.4Å; L251-S254 PolarHBondContact O-N 2.85Å; L251-S254 PolarHBondContact O-OG 3.24Å; E252-S254 VanDerWaalsContact C-N 3.3Å; E252-S254 PolarHBondContact O-N 3.03Å; S254-I256 VanDerWaalsContact C-N 3.35Å
255R40.3Very low44.5Very low248 Ų248104.9 Ų104.994%0.93654%0.538SS*.THydrogen-bonded Turntrans-88.5-0.2170.8-86.6-166.4-161.2-176.28.5114.1M253 E257M253-R255 PolarHBondContact O-N 3.42Å; R255-E257 PolarHBondContact O-N 3.09Å
256I42.1Very low42.9Very low54 Ų54109.9 Ų109.928%0.27757%0.568SS.*SBendtrans-70116.5172.5-60.6171.3000107.8I224 M253 S254 L258I224-I256 HydrophobicContact CD1-CD1 4.03Å; M253-I256 HydrophobicContact CE-CD1 4.48Å; M253-I256 HydrophobicContact CG-CD1 3.96Å; M253-I256 PolarHBondContact O-N 2.9Å; M253-I256 HydrophobicContact SD-CD1 4.44Å; S254-I256 VanDerWaalsContact C-N 3.35Å; I256-L258 HydrophobicContact CG2-CD2 4.33Å; I256-L258 HydrophobicContact CG2-CG 4.43Å; I256-L258 PolarHBondContact O-N 3.36Å
257E40.7Very low41Very low177 Ų177112.4 Ų112.483%0.82758%0.579SS**  trans-62.590.8163.8-74.4-170.5161.900107.8R255 F259R255-E257 PolarHBondContact O-N 3.09Å; E257-F259 PolarHBondContact O-N 3.4Å
258L42.1Very low39.5Very low64 Ų64122.6 Ų122.634%0.33562%0.616SS.*  trans-64.816.8-176-78.7164.3000114.9I224 I256I224-L258 HydrophobicContact CG2-CD2 3.97Å; I256-L258 HydrophobicContact CG2-CD2 4.33Å; I256-L258 HydrophobicContact CG2-CG 4.43Å; I256-L258 PolarHBondContact O-N 3.36Å
259F39.5Very low38.2Very low97 Ų97124.9 Ų124.943%0.42562%0.621SS.*SBendtrans-139.5120.9-174.1-58.8-73.5000112E257 L291E257-F259 PolarHBondContact O-N 3.4Å; F259-L291 HydrophobicContact CD1-CD2 4.42Å; F259-L291 HydrophobicContact CE1-CD2 4.02Å
260P34Very low37Very low95 Ų95126.7 Ų126.762%0.61764%0.643SS**  trans-61.4146.2169.925-30.6000109.4G262P260-G262 VanDerWaalsContact C-N 3.33Å; P260-G262 PolarHBondContact O-N 3.45Å
261K31.2Very low36.1Very low227 Ų227130.1 Ų130.199%0.98765%0.653SS**SBendtrans-51.890.4179.7-71.6178.5178.7172.50111.7
262G31.7Very low35.4Very low42 Ų42134 Ų13443%0.43367%0.669SS.*SBendtrans-150.2136171.800000107.6P260 W264P260-G262 VanDerWaalsContact C-N 3.33Å; P260-G262 PolarHBondContact O-N 3.45Å; G262-W264 PolarHBondContact O-N 3.04Å
263T28.6Very low34.4Very low146 Ų146130.3 Ų130.390%0.89667%0.665SS**  trans-7097.3-170.9-350000110.5
264W34.2Very low33.8Very low141 Ų141137.3 Ų137.353%0.53469%0.687SS.*  trans-119.4119.7173.6-54.6105.3000109.4G262 V266G262-W264 PolarHBondContact O-N 3.04Å; W264-V266 PolarHBondContact O-N 2.64Å
265L27Very low33.5Very low173 Ų173141 Ų14191%0.90670%0.701SS**  trans-75.9109176.8-78.9164.6000109.4
266V34.1Very low33.1Very low109 Ų109133.7 Ų133.766%0.66169%0.688SS**  trans-84.8122.7169.4-179.60000108.7W264 R268W264-V266 PolarHBondContact O-N 2.64Å; V266-R268 PolarHBondContact O-N 2.7Å
267N28.1Very low32.5Very low115 Ų115135.5 Ų135.562%0.61572%0.719SS**  trans-80.9113.9166.7-166.8-15.3000108.4D269N267-D269 PolarHBondContact O-N 3.1Å; N267-D269 VanDerWaalsContact O-N 3.11Å; N267-D269 PolarHBondContact OD1-N 3.09Å
268R31.4Very low32.1Very low226 Ų226131.3 Ų131.385%0.85371%0.71SS**G310 helixtrans-59.6-19.2-177.4-94.4-176.5178.6-178-0.6113.8V266 A270V266-R268 PolarHBondContact O-N 2.7Å; R268-A270 PolarHBondContact O-N 3.05Å
269D27.9Very low31.4Very low139 Ų139138.8 Ų138.874%0.74374%0.74SS**G310 helixtrans-87.62.6-171.3-61.8-26.7000114.6N267N267-D269 PolarHBondContact O-N 3.1Å; N267-D269 VanDerWaalsContact O-N 3.11Å; N267-D269 PolarHBondContact OD1-N 3.09Å
270A33.3Very low30.8Very low84 Ų84137.8 Ų137.869%0.69474%0.743SS**G310 helixtrans-90.60.5-177.700000115.1R268 Q272R268-A270 PolarHBondContact O-N 3.05Å; A270-Q272 VanDerWaalsContact C-N 3.34Å; A270-Q272 PolarHBondContact O-N 3.37Å
271F32.7Very low30.4Very low184 Ų184140.7 Ų140.781%0.80775%0.751SS**  trans-76.684.8171.6-92.7-90.3000110.3
272Q29Very low30.1Very low152 Ų152136.3 Ų136.371%0.7175%0.745SS**  trans-109.9111.2160-78.3-172.6-4.600109.3A270 R274A270-Q272 VanDerWaalsContact C-N 3.34Å; A270-Q272 PolarHBondContact O-N 3.37Å; Q272-R274 PolarHBondContact O-N 2.85Å
273S31.9Very low30Very low113 Ų113137.6 Ų137.679%0.7976%0.759SS**  trans-53.2108.1161.3163.40000108.5
274R31.2Very low29.9Very low213 Ų213134.1 Ų134.180%0.80474%0.738SS**  trans-99.6104.9164.9-79.2-171.7-178.3-1711.4107.8Q272 S276Q272-R274 PolarHBondContact O-N 2.85Å; R274-S276 VanDerWaalsContact C-N 3.26Å; R274-S276 PolarHBondContact O-N 2.88Å
275N31.6Very low29.8Very low162 Ų162130.5 Ų130.587%0.86673%0.731SS**  trans-59.991.1159.8-95.1-12.2000108.4
276S32.4Very low30Very low95 Ų95126.3 Ų126.366%0.66471%0.713SS**  trans-81124.7163.965.80000107.6R274 S278R274-S276 VanDerWaalsContact C-N 3.26Å; R274-S276 PolarHBondContact O-N 2.88Å; S276-S278 PolarHBondContact O-N 2.77Å
277G29.1Very low30.1Very low91 Ų91123.5 Ų123.594%0.93869%0.694SS**SBendtrans-69.651.3-168.300000115.9
278S32.1Very low30.3Very low89 Ų89124.4 Ų124.462%0.62269%0.694SS**  trans-105.4119.5167.8-42.70000107.1S276 C280S276-S278 PolarHBondContact O-N 2.77Å; S278-C280 VanDerWaalsContact C-N 3.31Å; S278-C280 PolarHBondContact O-N 2.77Å
279K27.9Very low30.6Very low222 Ų222115.2 Ų115.297%0.96566%0.664SS**  trans-62.891.6174.8-83.3179.4173.5178.20109.5
280C28.2Very low30.9Very low75 Ų75112.7 Ų112.751%0.50765%0.654SS.*PPolyproline II helixtrans-74.8145.3160.1-69.90000108.9S278S278-C280 VanDerWaalsContact C-N 3.31Å; S278-C280 PolarHBondContact O-N 2.77Å
281M25.7Very low31Very low156 Ų156111.7 Ų111.777%0.76864%0.636SS**PPolyproline II helixtrans-54.7152.3171-73.1-84-172.400110.2G283 T284M281-G283 PolarHBondContact O-N 3.4Å; M281-G283 VanDerWaalsContact O-N 3.1Å; M281-T284 PolarHBondContact O-N 2.87Å
282P24.4Very low30.9Very low135 Ų135112.3 Ų112.388%0.87763%0.633SS**THydrogen-bonded Turntrans-59.2118.5178.7-13.626.7000109.7
283G29.9Very low31.1Very low69 Ų69107.2 Ų107.271%0.71161%0.614SS**THydrogen-bonded Turntrans116.8-7175.100000116.7M281M281-G283 PolarHBondContact O-N 3.4Å; M281-G283 VanDerWaalsContact O-N 3.1Å
284T26.6Very low31.2Very low74 Ų74109.2 Ų109.245%0.45462%0.616SS.*  trans-102.2118.8178.2-40.90000111.2M281M281-T284 PolarHBondContact O-N 2.87Å
285T32.2Very low31.2Very low64 Ų64106.9 Ų106.939%0.39361%0.614SS.*EExtended strand (participates in β ladder)trans-110.2128.4170.9-58.30000109.9L251L251-T285 VanDerWaalsContact CD1-CB 3.49Å; L251-T285 HydrophobicContact CD1-CG2 3.89Å; L251-T285 WeakPolarHBondContact CD1-OG1 3.26Å
286V29.7Very low31.3Very low86 Ų86110.8 Ų110.852%0.52162%0.616SS.*EExtended strand (participates in β ladder)trans-87110.1174.2-179.40000108.3T246T246-V286 HydrophobicContact CG2-CG1 4.04Å
287L36.6Very low31.2Very low50 Ų50109.5 Ų109.526%0.26262%0.619SS.*EExtended strand (participates in β ladder)trans-88.3119.4173.4-93.7149.8000109.5L251L251-L287 HydrophobicContact CD2-CD1 3.68Å
288Q33.2Very low31.3Very low133 Ų133118.8 Ų118.862%0.62163%0.633SS**EExtended strand (participates in β ladder)trans-99.894.1172.5-166.6174.5-6.100108.8I244 T290I244-Q288 HydrophobicContact CG2-CG 4.15Å; Q288-T290 PolarHBondContact O-N 2.97Å
289C37.3Very low31.3Very low34 Ų34120.3 Ų120.323%0.2363%0.634CS.*EExtended strand (participates in β ladder)trans-77.3121.1174.8-81.90000110M228M228-C289 HydrophobicContact CE-CB 4.34Å
290T33.5Very low31.4Very low85 Ų85114.9 Ų114.952%0.52162%0.616SS.*EExtended strand (participates in β ladder)trans-104.1106.8175.4-53.60000109.2V242 Q288V242-T290 HydrophobicContact CG1-CG2 4.04Å; Q288-T290 PolarHBondContact O-N 2.97Å
291L34.9Very low31.6Very low63 Ų63117.2 Ų117.233%0.3362%0.622SS.*EExtended strand (participates in β ladder)trans-88.9117.4172.6-82.9150.7000109.4F259F259-L291 HydrophobicContact CD1-CD2 4.42Å; F259-L291 HydrophobicContact CE1-CD2 4.02Å
292R32.2Very low32Very low197 Ų197114.9 Ų114.974%0.74361%0.614SS**EExtended strand (participates in β ladder)trans-103.7114.9170.7-74.4-172.8179.8-164.7-0.2109.4
293S33.4Very low32.5Very low45 Ų45113.6 Ų113.632%0.31560%0.597SS.*EExtended strand (participates in β ladder)trans-86.7120.1164.376.90000109.3
294L32.9Very low32.6Very low156 Ų156116.6 Ų116.682%0.81759%0.59SS**  trans-94.393.9164.5-95149.2000106.7R296L294-R296 PolarHBondContact O-N 2.75Å; L294-R296 VanDerWaalsContact O-N 3.16Å
295Q30.9Very low33.1Very low164 Ų164119.6 Ų119.677%0.76660%0.599SS**  trans-69.5107.5162.1-83-169.1-37.500107.4G297Q295-G297 PolarHBondContact O-N 3.07Å
296R33.8Very low33.1Very low243 Ų243123.9 Ų123.992%0.91762%0.615SS**  trans-68.3102.3161.1-80.1-173.1-178.5-177.71107.5L294L294-R296 PolarHBondContact O-N 2.75Å; L294-R296 VanDerWaalsContact O-N 3.16Å
297G29.8Very low33.4Very low69 Ų69127.1 Ų127.171%0.71162%0.623SS**  trans-61.1145.2160.900000110.2Q295Q295-G297 PolarHBondContact O-N 3.07Å
298K32.3Very low33.1Very low286 Ų286134.1 Ų134.1100%1.24366%0.656SS**  trans-42.50-170.6-70.9177.3175.4177.10116.2

Retrieved 298 of 298 residues in 63.7 ms (Link to these results)

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