A0A077YZ11_TRITR Loading...

KOW domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZ11, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 146 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
1M82.6Confident92.5Very high189 Ų189137.5 Ų137.593%0.93161%0.613SS**  0147.80179.862.392.100109.2F3M1-F3 WeakPolarHBondContact O-CE2 3.48Å
2K87.5Confident93Very high90 Ų90144.5 Ų144.539%0.39163%0.631SS.*  trans-79.6121173.9-175.2-165.876.5-149.20110.1N4 V7 S8K2-N4 VanDerWaalsContact CE-O 3.28Å; K2-N4 WeakPolarHBondContact CE-O 3.46Å; K2-V7 HydrophobicContact CD-CB 4Å; K2-V7 HydrophobicContact CD-CG1 3.94Å; K2-V7 WeakPolarHBondContact CE-O 3.44Å; K2-V7 PolarHBondContact NZ-O 3.06Å; K2-S8 PolarHBondContact NZ-O 3.34Å; K2-S8 VanDerWaalsContact NZ-O 3.12Å
3F94Very high93.3Very high185 Ų185143.4 Ų143.481%0.81163%0.626SS**  trans-85-31.8-175.5-56.1-71000114.5M1 R5M1-F3 WeakPolarHBondContact O-CE2 3.48Å; F3-R5 PolarHBondContact O-N 3.07Å
4N92.9Very high93.5Very high84 Ų84138.1 Ų138.145%0.44961%0.608SS.*  trans-69115.5-177.3-174.7-18.1000111.8K2 Y6 V7K2-N4 VanDerWaalsContact CE-O 3.28Å; K2-N4 WeakPolarHBondContact CE-O 3.46Å; N4-Y6 VanDerWaalsContact C-N 3.34Å; N4-Y6 PolarHBondContact O-N 2.92Å; N4-Y6 WeakPolarHBondContact OD1-CB 3.36Å; N4-Y6 WeakPolarHBondContact OD1-CD2 3.46Å; N4-Y6 PolarHBondContact OD1-N 3.41Å; N4-V7 HydrophobicContact CB-CG2 4.36Å; N4-V7 PolarHBondContact O-N 2.93Å
5R92.9Very high93.8Very high237 Ų237138.1 Ų138.189%0.89460%0.602SS**THydrogen-bonded Turntrans-67.8-27.7-178.6-62.2174.470175.81.7113.5F3F3-R5 PolarHBondContact O-N 3.07Å
6Y94.3Very high94Very high219 Ų219139.4 Ų139.486%0.85961%0.608SS**THydrogen-bonded Turntrans-78.8-21-177.8-59.1-71.6000113.5N4N4-Y6 VanDerWaalsContact C-N 3.34Å; N4-Y6 PolarHBondContact O-N 2.92Å; N4-Y6 WeakPolarHBondContact OD1-CB 3.36Å; N4-Y6 WeakPolarHBondContact OD1-CD2 3.46Å; N4-Y6 PolarHBondContact OD1-N 3.41Å
7V93.6Very high94.2Very high66 Ų66138.8 Ų138.840%0.460%0.601SS.*SBendtrans-86.8130.1175.8-178.10000108.4K2 N4K2-V7 HydrophobicContact CD-CB 4Å; K2-V7 HydrophobicContact CD-CG1 3.94Å; K2-V7 WeakPolarHBondContact CE-O 3.44Å; K2-V7 PolarHBondContact NZ-O 3.06Å; N4-V7 HydrophobicContact CB-CG2 4.36Å; N4-V7 PolarHBondContact O-N 2.93Å
8S93.5Very high94.3Very high27 Ų27134.9 Ų134.919%0.18959%0.585CS.*  trans-77.6147.5-180-166.50000112K2 S10 K13 R17K2-S8 PolarHBondContact NZ-O 3.34Å; K2-S8 VanDerWaalsContact NZ-O 3.12Å; S8-S10 WeakPolarHBondContact OG-CB 3.09Å; S8-S10 PolarHBondContact OG-N 3.11Å; S8-K13 WeakPolarHBondContact OG-CD 3.32Å; S8-R17 VanDerWaalsContact CB-NH2 3.33Å
9K93.8Very high94.4Very high175 Ų175133.7 Ų133.776%0.76158%0.58SS**  trans-101-1.7166.962.3179.7-179179.50112.7R11K9-R11 PolarHBondContact O-N 3.21Å
10S95.8Very high94.5Very high45 Ų45131.1 Ų131.132%0.31558%0.579SS.*  trans-69.7123.5-175.91750000111.3S8 R12 K13 N14S8-S10 WeakPolarHBondContact OG-CB 3.09Å; S8-S10 PolarHBondContact OG-N 3.11Å; S10-R12 VanDerWaalsContact C-N 3.26Å; S10-R12 PolarHBondContact O-N 3.42Å; S10-K13 PolarHBondContact O-N 3.4Å; S10-N14 PolarHBondContact O-N 2.77Å
11R96.8Very high94.6Very high196 Ų196125.1 Ų125.174%0.7455%0.554SS**Hα-helixtrans-52.5-43.3174.8-174.8179.9-179-171.50.4111.9K9 N14 R15K9-R11 PolarHBondContact O-N 3.21Å; R11-N14 PolarHBondContact O-N 3.41Å; R11-R15 WeakPolarHBondContact O-CG 3.39Å; R11-R15 PolarHBondContact O-N 2.97Å
12R97.6Very high95.3Very high221 Ų221119.1 Ų119.183%0.83453%0.529SS*.Hα-helixtrans-62.1-49.2179.3-65.2-177.3-177.7173.40.7111.5S10 N14 R15 K16S10-R12 VanDerWaalsContact C-N 3.26Å; S10-R12 PolarHBondContact O-N 3.42Å; R12-N14 VanDerWaalsContact C-N 3.34Å; R12-N14 PolarHBondContact O-N 3.44Å; R12-R15 PolarHBondContact O-N 2.96Å; R12-K16 PolarHBondContact O-N 3.08Å
13K97.2Very high95.7Very high130 Ų130118 Ų11857%0.56553%0.532SS*.Hα-helixtrans-63.7-37.3179.3-70-175.9173.4-178.50112.2S8 S10 R17S8-K13 WeakPolarHBondContact OG-CD 3.32Å; S10-K13 PolarHBondContact O-N 3.4Å; K13-R17 WeakPolarHBondContact O-CG 3.36Å; K13-R17 PolarHBondContact O-N 3.04Å; K13-R17 VanDerWaalsContact O-N 3.14Å
14N96.9Very high95.9Very high70 Ų70114.1 Ų114.137%0.37452%0.517SS..Hα-helixtrans-70.8-43.5178.7-71.2-14.2000112.1S10 R11 R12 R17 H18S10-N14 PolarHBondContact O-N 2.77Å; R11-N14 PolarHBondContact O-N 3.41Å; R12-N14 VanDerWaalsContact C-N 3.34Å; R12-N14 PolarHBondContact O-N 3.44Å; N14-R17 PolarHBondContact O-N 3.15Å; N14-H18 PolarHBondContact O-N 3.38Å
15R97.3Very high96Very high138 Ų138113 Ų11352%0.52151%0.51SS..Hα-helixtrans-61.5-45.3174.9-73.2176.468.1102.2-6.2111.9R11 R12 R17 H18 F19R11-R15 WeakPolarHBondContact O-CG 3.39Å; R11-R15 PolarHBondContact O-N 2.97Å; R12-R15 PolarHBondContact O-N 2.96Å; R15-R17 PolarHBondContact O-N 2.92Å; R15-H18 PolarHBondContact O-N 3.39Å; R15-F19 HydrophobicContact CB-CD2 4.39Å; R15-F19 HydrophobicContact CB-CE2 4.32Å; R15-F19 WeakPolarHBondContact O-CD2 3.35Å; R15-F19 PolarHBondContact O-N 3.35Å
16K97.7Very high96.2Very high159 Ų159103.5 Ų103.569%0.69147%0.474SS*.Hα-helixtrans-56-51.8176.2-174.5171.4-178.3175.20110.5R12 H18 F19 S20R12-K16 PolarHBondContact O-N 3.08Å; K16-H18 VanDerWaalsContact C-N 3.32Å; K16-H18 PolarHBondContact O-N 3.3Å; K16-F19 PolarHBondContact O-N 2.93Å; K16-S20 VanDerWaalsContact O-CB 3.3Å; K16-S20 WeakPolarHBondContact O-CB 3.45Å; K16-S20 PolarHBondContact O-N 3.48Å; K16-S20 PolarHBondContact O-OG 3.32Å
17R96.9Very high96.3Very high128 Ų12897.6 Ų97.648%0.48345%0.451SS..Hα-helixtrans-57.2-40.1177.6-82.3-173.1-108.5-165.1-16.1113.8S8 K13 N14 R15 A21S8-R17 VanDerWaalsContact CB-NH2 3.33Å; K13-R17 WeakPolarHBondContact O-CG 3.36Å; K13-R17 PolarHBondContact O-N 3.04Å; K13-R17 VanDerWaalsContact O-N 3.14Å; N14-R17 PolarHBondContact O-N 3.15Å; R15-R17 PolarHBondContact O-N 2.92Å; R17-A21 WeakPolarHBondContact O-CB 3.47Å; R17-A21 PolarHBondContact O-N 3.18Å
18H96.2Very high96.4Very high70 Ų70100.8 Ų100.832%0.32446%0.459SS..Hα-helixtrans-65-57.1178179.8-93.1000111.1N14 R15 K16 S20 A21 W77N14-H18 PolarHBondContact O-N 3.38Å; R15-H18 PolarHBondContact O-N 3.39Å; K16-H18 VanDerWaalsContact C-N 3.32Å; K16-H18 PolarHBondContact O-N 3.3Å; H18-S20 PolarHBondContact O-N 3.44Å; H18-A21 WeakPolarHBondContact O-CB 3.35Å; H18-A21 PolarHBondContact O-N 3.48Å; H18-W77 AromaticContact CE1-CD2 3.99Å; H18-W77 AromaticContact CE1-CE2 3.71Å; H18-W77 AromaticContact CE1-CZ2 3.94Å; H18-W77 AromaticContact CE1-NE1 3.96Å; H18-W77 AromaticContact NE2-CH2 3.94Å; H18-W77 AromaticContact NE2-CZ2 3.93Å; H18-W77 WeakPolarHBondContact O-CZ2 3.28Å
19F96Very high96.5Very high112 Ų112103.9 Ų103.949%0.49147%0.472SS..Hα-helixtrans-71.2-29.6-174-65.7-62.4000113.4R15 K16 R26R15-F19 HydrophobicContact CB-CD2 4.39Å; R15-F19 HydrophobicContact CB-CE2 4.32Å; R15-F19 WeakPolarHBondContact O-CD2 3.35Å; R15-F19 PolarHBondContact O-N 3.35Å; K16-F19 PolarHBondContact O-N 2.93Å; F19-R26 PolarHBondContact O-NH2 3.21Å
20S96.5Very high96.7Very high80 Ų8095.7 Ų95.756%0.55944%0.436SS*.THydrogen-bonded Turntrans-91.68.717780.50000114K16 H18K16-S20 VanDerWaalsContact O-CB 3.3Å; K16-S20 WeakPolarHBondContact O-CB 3.45Å; K16-S20 PolarHBondContact O-N 3.48Å; K16-S20 PolarHBondContact O-OG 3.32Å; H18-S20 PolarHBondContact O-N 3.44Å
21A96.1Very high96.7Very high6 Ų695 Ų955%0.0543%0.431CS..  trans-61.1138.4-176.700000112.1R17 H18 I25 R26 M29 W77R17-A21 WeakPolarHBondContact O-CB 3.47Å; R17-A21 PolarHBondContact O-N 3.18Å; H18-A21 WeakPolarHBondContact O-CB 3.35Å; H18-A21 PolarHBondContact O-N 3.48Å; A21-I25 HydrophobicContact CB-CB 4.18Å; A21-I25 HydrophobicContact CB-CG2 3.94Å; A21-R26 HydrophobicContact CB-CG 3.96Å; A21-R26 PolarHBondContact O-NE 3.25Å; A21-R26 PolarHBondContact O-NH2 3.32Å; A21-M29 HydrophobicContact CB-SD 4.48Å; A21-W77 HydrophobicContact CB-CZ2 4.46Å
22P97.7Very high96.7Very high63 Ų6385.8 Ų85.841%0.40940%0.397SS..  trans-69.7160.5170.929.2-35.9000112.1H24 I25 R26P22-H24 VanDerWaalsContact C-N 3.31Å; P22-H24 PolarHBondContact O-N 3.04Å; P22-H24 VanDerWaalsContact O-N 3.15Å; P22-I25 HydrophobicContact CG-CB 4.28Å; P22-I25 HydrophobicContact CG-CD1 3.8Å; P22-I25 HydrophobicContact CG-CG1 3.89Å; P22-I25 PolarHBondContact O-N 3.09Å; P22-R26 WeakPolarHBondContact O-CG 3.39Å; P22-R26 PolarHBondContact O-N 2.97Å
23S96.5Very high96.7Very high66 Ų6677.2 Ų77.246%0.46237%0.369SS..Hα-helixtrans-54.8-38.2-169.9-175.10000114.7I25 R26 R27 R74S23-I25 VanDerWaalsContact C-N 3.33Å; S23-I25 PolarHBondContact O-N 2.95Å; S23-R26 PolarHBondContact O-N 2.82Å; S23-R27 PolarHBondContact O-N 3.49Å; S23-R74 PolarHBondContact OG-NH1 3.44Å
24H96.6Very high96.7Very high104 Ų10471 Ų7148%0.48134%0.342SS..Hα-helixtrans-70.2-29.4179.570-92.2000112.8P22P22-H24 VanDerWaalsContact C-N 3.31Å; P22-H24 PolarHBondContact O-N 3.04Å; P22-H24 VanDerWaalsContact O-N 3.15Å
25I96.7Very high96.7Very high60 Ų6068.2 Ų68.231%0.30833%0.328SS..Hα-helixtrans-75.2-43.5172-62.7-172.5000109.5A21 P22 S23 R27 K28 M29A21-I25 HydrophobicContact CB-CB 4.18Å; A21-I25 HydrophobicContact CB-CG2 3.94Å; P22-I25 HydrophobicContact CG-CB 4.28Å; P22-I25 HydrophobicContact CG-CD1 3.8Å; P22-I25 HydrophobicContact CG-CG1 3.89Å; P22-I25 PolarHBondContact O-N 3.09Å; S23-I25 VanDerWaalsContact C-N 3.33Å; S23-I25 PolarHBondContact O-N 2.95Å; I25-R27 PolarHBondContact O-N 3.36Å; I25-K28 PolarHBondContact O-N 2.99Å; I25-M29 HydrophobicContact CG2-CE 3.47Å; I25-M29 VanDerWaalsContact CG2-CE 3.47Å; I25-M29 HydrophobicContact CG2-CG 4.31Å; I25-M29 HydrophobicContact CG2-SD 3.92Å; I25-M29 PolarHBondContact O-N 2.9Å
26R96.9Very high96.6Very high38 Ų3871.2 Ų71.214%0.14334%0.339CS..Hα-helixtrans-56.7-40174.4-58.4-163.8-170.6-153.8-3.8112F19 A21 P22 S23 K28 M29 M30 R74 K75 W77F19-R26 PolarHBondContact O-NH2 3.21Å; A21-R26 HydrophobicContact CB-CG 3.96Å; A21-R26 PolarHBondContact O-NE 3.25Å; A21-R26 PolarHBondContact O-NH2 3.32Å; P22-R26 WeakPolarHBondContact O-CG 3.39Å; P22-R26 PolarHBondContact O-N 2.97Å; S23-R26 PolarHBondContact O-N 2.82Å; R26-K28 VanDerWaalsContact C-N 3.31Å; R26-K28 PolarHBondContact O-N 3.47Å; R26-M29 PolarHBondContact O-N 3.23Å; R26-M30 WeakPolarHBondContact O-CB 3.46Å; R26-M30 VanDerWaalsContact O-CG 3.32Å; R26-M30 WeakPolarHBondContact O-CG 3.28Å; R26-M30 PolarHBondContact O-N 2.92Å; R26-R74 HydrophobicContact CB-CB 4.28Å; R26-R74 WeakPolarHBondContact CD-O 3.42Å; R26-R74 PolarHBondContact NH1-O 2.85Å; R26-K75 VanDerWaalsContact NH1-CA 3.28Å; R26-K75 PolarHBondContact NH1-O 3.43Å; R26-W77 HydrophobicContact CB-CH2 3.84Å; R26-W77 HydrophobicContact CB-CZ2 4.29Å; R26-W77 HydrophobicContact CB-CZ3 4.2Å; R26-W77 HydrophobicContact CG-CH2 3.65Å; R26-W77 HydrophobicContact CG-CZ2 3.66Å; R26-W77 HydrophobicContact CG-CZ3 4.44Å
27R96.3Very high96.5Very high96 Ų9669.1 Ų69.136%0.36234%0.336SS..Hα-helixtrans-54.3-45.7172.9-174.5-171.382.8-146.38.1112.2S23 I25 P48S23-R27 PolarHBondContact O-N 3.49Å; I25-R27 PolarHBondContact O-N 3.36Å; R27-P48 HydrophobicContact CG-CB 4.17Å; R27-P48 WeakPolarHBondContact O-CB 3.31Å
28K95.8Very high96.5Very high133 Ų13364 Ų6458%0.57832%0.318SS*.Hα-helixtrans-69.6-42.2179.9-67.7179.9-178.2178.80111.3I25 R26 S31I25-K28 PolarHBondContact O-N 2.99Å; R26-K28 VanDerWaalsContact C-N 3.31Å; R26-K28 PolarHBondContact O-N 3.47Å; K28-S31 PolarHBondContact O-OG 2.84Å
29M95.9Very high96.5Very high92 Ų9264.6 Ų64.645%0.45332%0.317SS..Hα-helixtrans-66.5-36.7178.8-71.8177.3178.600112.1A21 I25 R26 S31 W77A21-M29 HydrophobicContact CB-SD 4.48Å; I25-M29 HydrophobicContact CG2-CE 3.47Å; I25-M29 VanDerWaalsContact CG2-CE 3.47Å; I25-M29 HydrophobicContact CG2-CG 4.31Å; I25-M29 HydrophobicContact CG2-SD 3.92Å; I25-M29 PolarHBondContact O-N 2.9Å; R26-M29 PolarHBondContact O-N 3.23Å; M29-S31 PolarHBondContact O-N 3.24Å; M29-W77 HydrophobicContact CB-CH2 3.75Å; M29-W77 HydrophobicContact CB-CZ3 3.51Å; M29-W77 HydrophobicContact CG-CH2 4.28Å; M29-W77 HydrophobicContact CG-CZ3 4.48Å; M29-W77 HydrophobicContact SD-CH2 3.54Å; M29-W77 VanDerWaalsContact SD-CH2 3.54Å; M29-W77 HydrophobicContact SD-CZ2 4.41Å; M29-W77 HydrophobicContact SD-CZ3 4.25Å
30M96.7Very high96.4Very high3 Ų366.8 Ų66.82%0.01533%0.329CS..SBendtrans-79.656.4172-63.4-174.876.300111.6R26 I49 V72 R74 W77 I79 P100R26-M30 WeakPolarHBondContact O-CB 3.46Å; R26-M30 VanDerWaalsContact O-CG 3.32Å; R26-M30 WeakPolarHBondContact O-CG 3.28Å; R26-M30 PolarHBondContact O-N 2.92Å; M30-I49 PolarHBondContact O-N 3.44Å; M30-V72 HydrophobicContact CE-CG1 3.93Å; M30-V72 HydrophobicContact SD-CG1 4.23Å; M30-R74 HydrophobicContact SD-CB 4.26Å; M30-R74 HydrophobicContact SD-CG 3.97Å; M30-W77 HydrophobicContact CG-CE3 3.58Å; M30-W77 HydrophobicContact CG-CZ3 3.72Å; M30-W77 HydrophobicContact SD-CE3 4.13Å; M30-I79 HydrophobicContact CE-CD1 4.38Å; M30-I79 HydrophobicContact CE-CG1 3.87Å; M30-P100 HydrophobicContact CB-CB 4.47Å; M30-P100 HydrophobicContact CB-CG 3.93Å; M30-P100 HydrophobicContact CE-CG 3.96Å; M30-P100 HydrophobicContact CG-CG 4.03Å
31S96.7Very high96.3Very high31 Ų3170.3 Ų70.322%0.21733%0.334CS..EExtended strand (participates in β ladder)trans-98.9146.1171.3-65.90000110.7K28 M29 M47K28-S31 PolarHBondContact O-OG 2.84Å; M29-S31 PolarHBondContact O-N 3.24Å; S31-M47 WeakPolarHBondContact CA-O 3.16Å
32S96.6Very high96.2Very high1 Ų172.7 Ų72.71%0.00734%0.342CS..EExtended strand (participates in β ladder)trans-126.5159.9179.1-61.10000111.3S46 M47 I49 P100S32-S46 CarbonylContact O-C 3.46Å; S32-S46 WeakPolarHBondContact O-CA 3.41Å; S32-S46 VanDerWaalsContact O-CB 3.28Å; S32-S46 WeakPolarHBondContact O-CB 3.41Å; S32-M47 PolarHBondContact N-O 3.08Å; S32-M47 PolarHBondContact O-N 3.23Å; S32-I49 VanDerWaalsContact CB-CD1 3.42Å; S32-I49 WeakPolarHBondContact OG-CD1 3.37Å; S32-I49 VanDerWaalsContact OG-CG1 3.25Å; S32-I49 WeakPolarHBondContact OG-CG1 3.39Å; S32-P100 WeakPolarHBondContact CB-O 3.48Å; S32-P100 VanDerWaalsContact OG-C 3.23Å; S32-P100 WeakPolarHBondContact OG-CA 3.36Å; S32-P100 VanDerWaalsContact OG-CB 3.28Å; S32-P100 WeakPolarHBondContact OG-CB 3.48Å; S32-P100 PolarHBondContact OG-O 3.42Å
33T97.3Very high96Very high42 Ų4272.7 Ų72.726%0.25834%0.339SS..EExtended strand (participates in β ladder)trans-76.6136.8-173.9-66.10000110.2M104 I105T33-M104 CarbonylContact O-C 3.59Å; T33-M104 WeakPolarHBondContact O-CA 3.36Å; T33-M104 WeakPolarHBondContact O-CG 3.32Å; T33-I105 PolarHBondContact O-N 2.62Å
34L97.1Very high95.9Very high0 Ų069.9 Ų69.90%032%0.319CS..EExtended strand (participates in β ladder)trans-80150.5173.7-61.4-172.1000111.1L38 R39 V44 R45 M47 I105 L108L34-L38 HydrophobicContact CB-CB 3.99Å; L34-L38 HydrophobicContact CD1-CB 4.3Å; L34-L38 HydrophobicContact CD2-CD1 4.21Å; L34-R39 HydrophobicContact CB-CG 3.86Å; L34-R39 PolarHBondContact O-NE 2.98Å; L34-R39 PolarHBondContact O-NH2 3.1Å; L34-V44 HydrophobicContact CD1-CB 4.42Å; L34-V44 WeakPolarHBondContact CD1-O 3.33Å; L34-R45 PolarHBondContact N-O 3.21Å; L34-M47 HydrophobicContact CD1-CG 4.04Å; L34-M47 HydrophobicContact CD2-CB 3.99Å; L34-M47 HydrophobicContact CD2-CG 4.09Å; L34-M47 HydrophobicContact CG-CG 4.34Å; L34-I105 HydrophobicContact CD2-CB 3.85Å; L34-I105 HydrophobicContact CD2-CD1 3.95Å; L34-I105 HydrophobicContact CD2-CG1 4.29Å; L34-I105 HydrophobicContact CD2-CG2 4.37Å; L34-L108 HydrophobicContact CD1-CD1 4.35Å; L34-L108 HydrophobicContact CD2-CD1 4.17Å; L34-L108 HydrophobicContact CD2-CD2 3.89Å; L34-L108 HydrophobicContact CD2-CG 4.34Å
35S96.8Very high95.8Very high11 Ų1173.2 Ų73.28%0.07733%0.327CS..PPolyproline II helixtrans-59.7159.4168.768.40000111.9D37 L38 R39 M104 I105S35-D37 VanDerWaalsContact C-N 3.27Å; S35-D37 PolarHBondContact O-N 2.9Å; S35-L38 PolarHBondContact O-N 3.04Å; S35-L38 WeakPolarHBondContact OG-CG 3.35Å; S35-L38 PolarHBondContact OG-N 3.46Å; S35-R39 VanDerWaalsContact O-CG 3.28Å; S35-R39 WeakPolarHBondContact O-CG 3.44Å; S35-R39 PolarHBondContact O-N 3.42Å; S35-M104 VanDerWaalsContact CA-SD 3.54Å; S35-I105 WeakPolarHBondContact CB-O 3.16Å; S35-I105 PolarHBondContact N-O 3.04Å
36R95.8Very high95.8Very high200 Ų20072.4 Ų72.476%0.75533%0.327SS*.Hα-helixtrans-56.8-43.5-177.2-66.9-177.1-178.8-172.30.3111.3L38 R39 Q40R36-L38 PolarHBondContact O-N 3.39Å; R36-R39 WeakPolarHBondContact O-CB 3.46Å; R36-R39 PolarHBondContact O-N 3Å; R36-Q40 WeakPolarHBondContact O-CG 3.16Å; R36-Q40 PolarHBondContact O-N 3.28Å
37D95.8Very high95.7Very high116 Ų11670.7 Ų70.762%0.6232%0.321SS*.Hα-helixtrans-62.6-45.1179.3-42.1-30.7000111.7S35 R39 Q40 K41S35-D37 VanDerWaalsContact C-N 3.27Å; S35-D37 PolarHBondContact O-N 2.9Å; D37-R39 VanDerWaalsContact C-N 3.33Å; D37-R39 PolarHBondContact O-N 3.14Å; D37-Q40 PolarHBondContact O-N 2.91Å; D37-K41 WeakPolarHBondContact O-CB 3.48Å; D37-K41 PolarHBondContact O-N 3.34Å
38L96.1Very high95.8Very high20 Ų2066.9 Ų66.911%0.10531%0.308CS..Hα-helixtrans-66.6-34.5176.6-70.7-173.5000112.4L34 S35 R36 Y42 I105 I106 L108L34-L38 HydrophobicContact CB-CB 3.99Å; L34-L38 HydrophobicContact CD1-CB 4.3Å; L34-L38 HydrophobicContact CD2-CD1 4.21Å; S35-L38 PolarHBondContact O-N 3.04Å; S35-L38 WeakPolarHBondContact OG-CG 3.35Å; S35-L38 PolarHBondContact OG-N 3.46Å; R36-L38 PolarHBondContact O-N 3.39Å; L38-Y42 HydrophobicContact CD2-CD2 4.36Å; L38-Y42 HydrophobicContact CD2-CE2 3.91Å; L38-Y42 WeakPolarHBondContact O-CD2 3.23Å; L38-Y42 PolarHBondContact O-N 3.01Å; L38-I105 HydrophobicContact CD1-CG2 4.35Å; L38-I106 WeakPolarHBondContact CD1-O 3.39Å; L38-I106 WeakPolarHBondContact CG-O 3.26Å; L38-L108 HydrophobicContact CD1-CD1 4.01Å; L38-L108 HydrophobicContact CD1-CG 3.87Å; L38-L108 HydrophobicContact CD2-CD1 4.48Å
39R95.8Very high95.8Very high83 Ų8360.9 Ų60.931%0.31328%0.282SS..Hα-helixtrans-66.8-42.3175.6-70.2178.9-168-176.317.3111.5L34 S35 R36 D37 N43 V44L34-R39 HydrophobicContact CB-CG 3.86Å; L34-R39 PolarHBondContact O-NE 2.98Å; L34-R39 PolarHBondContact O-NH2 3.1Å; S35-R39 VanDerWaalsContact O-CG 3.28Å; S35-R39 WeakPolarHBondContact O-CG 3.44Å; S35-R39 PolarHBondContact O-N 3.42Å; R36-R39 WeakPolarHBondContact O-CB 3.46Å; R36-R39 PolarHBondContact O-N 3Å; D37-R39 VanDerWaalsContact C-N 3.33Å; D37-R39 PolarHBondContact O-N 3.14Å; R39-N43 WeakPolarHBondContact O-CA 3.19Å; R39-N43 PolarHBondContact O-N 2.84Å; R39-V44 WeakPolarHBondContact CG-O 3.28Å
40Q94.1Very high95.7Very high158 Ų15862.1 Ų62.174%0.73828%0.282SS*.Hα-helixtrans-64.7-46.6176.3-71.8173.6-1.200110.2R36 D37 Y42R36-Q40 WeakPolarHBondContact O-CG 3.16Å; R36-Q40 PolarHBondContact O-N 3.28Å; D37-Q40 PolarHBondContact O-N 2.91Å; Q40-Y42 PolarHBondContact O-N 2.76Å
41K95.1Very high95.6Very high154 Ų15467.6 Ų67.667%0.6731%0.306SS*.Hα-helixtrans-61.2-45.6-179.7-176.8170.9-178167.30114D37D37-K41 WeakPolarHBondContact O-CB 3.48Å; D37-K41 PolarHBondContact O-N 3.34Å
42Y94.3Very high95.6Very high55 Ų5568.1 Ų68.122%0.21631%0.306CS..Hα-helixtrans-105.1-6.1-173.7-62.8-65.1000114.3L38 Q40 V44 L108 L110 L118 A122L38-Y42 HydrophobicContact CD2-CD2 4.36Å; L38-Y42 HydrophobicContact CD2-CE2 3.91Å; L38-Y42 WeakPolarHBondContact O-CD2 3.23Å; L38-Y42 PolarHBondContact O-N 3.01Å; Q40-Y42 PolarHBondContact O-N 2.76Å; Y42-V44 WeakPolarHBondContact O-CG2 3.34Å; Y42-V44 PolarHBondContact O-N 2.94Å; Y42-L108 HydrophobicContact CD2-CD1 4.11Å; Y42-L108 HydrophobicContact CE2-CD1 3.94Å; Y42-L110 WeakPolarHBondContact OH-CD1 3.38Å; Y42-L118 HydrophobicContact CD1-CD1 4.04Å; Y42-L118 HydrophobicContact CD2-CD1 4.45Å; Y42-L118 HydrophobicContact CE1-CD1 4.2Å; Y42-L118 HydrophobicContact CG-CD1 4.19Å; Y42-L118 HydrophobicContact CG-CD2 4.29Å; Y42-A122 WeakPolarHBondContact O-CB 3.34Å
43N93.1Very high95.6Very high63 Ų6368.1 Ų68.134%0.33731%0.306SS..  trans51.138.3-172.6-163.722000113.7R39 R125R39-N43 WeakPolarHBondContact O-CA 3.19Å; R39-N43 PolarHBondContact O-N 2.84Å; N43-R125 WeakPolarHBondContact O-CD 3.32Å; N43-R125 WeakPolarHBondContact OD1-CD 3.44Å; N43-R125 PolarHBondContact OD1-NE 3.18Å
44V94.7Very high95.5Very high8 Ų869 Ų695%0.04831%0.307CS..  trans-128.2136.3178.5175.30000110L34 R39 Y42 S46 M47 L118 K121 A122L34-V44 HydrophobicContact CD1-CB 4.42Å; L34-V44 WeakPolarHBondContact CD1-O 3.33Å; R39-V44 WeakPolarHBondContact CG-O 3.28Å; Y42-V44 WeakPolarHBondContact O-CG2 3.34Å; Y42-V44 PolarHBondContact O-N 2.94Å; V44-S46 VanDerWaalsContact CG1-O 3.31Å; V44-S46 WeakPolarHBondContact CG1-O 3.43Å; V44-M47 HydrophobicContact CG1-CG 4.39Å; V44-M47 HydrophobicContact CG1-SD 4.35Å; V44-L118 HydrophobicContact CB-CD2 4.24Å; V44-L118 HydrophobicContact CG1-CD2 4.46Å; V44-L118 HydrophobicContact CG2-CD2 4.2Å; V44-K121 HydrophobicContact CG1-CB 4.2Å; V44-K121 HydrophobicContact CG1-CD 3.75Å; V44-K121 HydrophobicContact CG2-CB 3.6Å; V44-A122 HydrophobicContact CG2-CB 4.28Å
45R94.6Very high95.5Very high174 Ų17469 Ų6966%0.65731%0.308SS*.SBendtrans-79.6-37.9-178.1-172.4173.1177.8167.70.2114L34L34-R45 PolarHBondContact N-O 3.21Å
46S96Very high95.5Very high43 Ų4371.7 Ų71.730%0.30132%0.319SS..EExtended strand (participates in β ladder)trans-147150.8-173.163.90000113.3S32 V44 K121S32-S46 CarbonylContact O-C 3.46Å; S32-S46 WeakPolarHBondContact O-CA 3.41Å; S32-S46 VanDerWaalsContact O-CB 3.28Å; S32-S46 WeakPolarHBondContact O-CB 3.41Å; V44-S46 VanDerWaalsContact CG1-O 3.31Å; V44-S46 WeakPolarHBondContact CG1-O 3.43Å; S46-K121 PolarHBondContact O-NZ 2.99Å
47M95.8Very high95.5Very high1 Ų162.3 Ų62.31%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-136.7144.8177.7-77.1-64.2-78.100112S31 S32 L34 V44 I49 I105 L108 R114 I117 L118 K121S31-M47 WeakPolarHBondContact CA-O 3.16Å; S32-M47 PolarHBondContact N-O 3.08Å; S32-M47 PolarHBondContact O-N 3.23Å; L34-M47 HydrophobicContact CD1-CG 4.04Å; L34-M47 HydrophobicContact CD2-CB 3.99Å; L34-M47 HydrophobicContact CD2-CG 4.09Å; L34-M47 HydrophobicContact CG-CG 4.34Å; V44-M47 HydrophobicContact CG1-CG 4.39Å; V44-M47 HydrophobicContact CG1-SD 4.35Å; M47-I49 PolarHBondContact O-N 3.03Å; M47-I105 HydrophobicContact CB-CD1 4.29Å; M47-L108 HydrophobicContact CB-CD2 4.42Å; M47-R114 HydrophobicContact CE-CG 3.57Å; M47-I117 HydrophobicContact CE-CB 4.33Å; M47-I117 HydrophobicContact CE-CG2 3.84Å; M47-I117 HydrophobicContact SD-CG2 3.99Å; M47-L118 HydrophobicContact CE-CD2 3.78Å; M47-L118 HydrophobicContact CE-CG 3.78Å; M47-L118 HydrophobicContact CG-CD2 3.76Å; M47-L118 HydrophobicContact SD-CD2 3.59Å; M47-L118 VanDerWaalsContact SD-CD2 3.59Å; M47-L118 HydrophobicContact SD-CG 4.19Å; M47-K121 HydrophobicContact SD-CD 4.1Å
48P96.7Very high95.5Very high16 Ų1659.5 Ų59.510%0.10427%0.268CS..EExtended strand (participates in β ladder)trans-55.4127167.9-2736.8000111.3R27 R114R27-P48 HydrophobicContact CG-CB 4.17Å; R27-P48 WeakPolarHBondContact O-CB 3.31Å; P48-R114 PolarHBondContact O-NH1 2.89Å; P48-R114 PolarHBondContact O-NH2 3.29Å; P48-R114 VanDerWaalsContact O-NH2 3.15Å
49I96.2Very high95.4Very high7 Ų761.6 Ų61.64%0.03628%0.284CS..  trans-65.7139.1177.1-72.3-171.1000110.3M30 S32 M47 V69 V72 I79 P100 V103 I105M30-I49 PolarHBondContact O-N 3.44Å; S32-I49 VanDerWaalsContact CB-CD1 3.42Å; S32-I49 WeakPolarHBondContact OG-CD1 3.37Å; S32-I49 VanDerWaalsContact OG-CG1 3.25Å; S32-I49 WeakPolarHBondContact OG-CG1 3.39Å; M47-I49 PolarHBondContact O-N 3.03Å; I49-V69 HydrophobicContact CG2-CB 4.5Å; I49-V69 HydrophobicContact CG2-CG1 4.09Å; I49-V69 HydrophobicContact CG2-CG2 3.96Å; I49-V72 HydrophobicContact CG2-CG2 3.86Å; I49-I79 HydrophobicContact CB-CD1 3.98Å; I49-I79 HydrophobicContact CD1-CD1 3.31Å; I49-I79 HydrophobicContact CG1-CD1 4.15Å; I49-I79 HydrophobicContact CG2-CD1 3.81Å; I49-I79 HydrophobicContact CG2-CG1 4.42Å; I49-P100 HydrophobicContact CD1-CB 4.17Å; I49-V103 HydrophobicContact CD1-CG1 4.37Å; I49-I105 HydrophobicContact CG1-CD1 3.94Å; I49-I105 HydrophobicContact CG1-CG1 4.28Å
50R93.7Very high95.3Very high118 Ų11860.5 Ų60.545%0.44530%0.298SS..  trans-119.8159.9173-164176.2174.41119.2110.3D53 V69 D111R50-D53 PolarHBondContact N-OD2 3.04Å; R50-D53 PolarHBondContact O-N 2.85Å; R50-V69 WeakPolarHBondContact O-CB 3.42Å; R50-V69 WeakPolarHBondContact O-CG1 3.29Å; R50-D111 IonicContact CZ-OD2 3.17Å; R50-D111 IonicContact NE-OD2 3.56Å; R50-D111 IonicContact NH1-OD2 2.79Å; R50-D111 PolarHBondContact NH1-OD2 2.83Å; R50-D111 IonicContact NH2-OD2 3.85Å
51K95.5Very high95.3Very high119 Ų11961.7 Ų61.752%0.51730%0.303SS..THydrogen-bonded Turntrans-55.5140.7162.5-177.3178.3178.8-172.70109D53 L70K51-D53 VanDerWaalsContact C-N 3.29Å; K51-D53 PolarHBondContact O-N 2.84Å; K51-L70 WeakPolarHBondContact CD-O 2.84Å; K51-L70 WeakPolarHBondContact CE-O 3.25Å; K51-L70 WeakPolarHBondContact CG-O 3.29Å
52D95.8Very high95.1Very high42 Ų4255.7 Ų55.723%0.22528%0.278CS..THydrogen-bonded Turntrans71.76.2-179.7-47.7-54.9000116.7K68 V69 K109D52-K68 WeakPolarHBondContact OD1-CE 3.22Å; D52-K68 IonicContact OD1-NZ 3.84Å; D52-K68 PolarHBondContact OD1-NZ 3.12Å; D52-V69 PolarHBondContact N-O 3.42Å; D52-K109 HydrophobicContact CB-CB 4.48Å; D52-K109 HydrophobicContact CB-CD 3.54Å; D52-K109 IonicContact OD2-NZ 2.68Å; D52-K109 PolarHBondContact OD2-NZ 2.8Å
53D96.4Very high95.1Very high0 Ų060 Ų600%030%0.298CS..  trans-66.9140.8163-71.5-33000108.9R50 K51 I55 V69 I105 K109 R114R50-D53 PolarHBondContact N-OD2 3.04Å; R50-D53 PolarHBondContact O-N 2.85Å; K51-D53 VanDerWaalsContact C-N 3.29Å; K51-D53 PolarHBondContact O-N 2.84Å; D53-I55 HydrophobicContact CB-CG2 4.38Å; D53-V69 HydrophobicContact CB-CG2 4.47Å; D53-V69 WeakPolarHBondContact O-CG2 3.48Å; D53-V69 PolarHBondContact O-N 3.17Å; D53-I105 HydrophobicContact CB-CG2 4.29Å; D53-K109 PolarHBondContact OD1-N 2.85Å; D53-R114 IonicContact OD1-CZ 2.77Å; D53-R114 IonicContact OD1-NE 3.65Å; D53-R114 IonicContact OD1-NH2 3.98Å; D53-R114 PolarHBondContact OD1-NH2 3.45Å; D53-R114 IonicContact OD2-CZ 3.46Å; D53-R114 IonicContact OD2-NH2 3.32Å; D53-R114 PolarHBondContact OD2-NH2 2.81Å
54E96.4Very high95.1Very high61 Ų6158.9 Ų58.929%0.28530%0.302SS..EExtended strand (participates in β ladder)trans-89.8131.4168.8-69.8179.8-158.300109.4I106 K107E54-I106 PolarHBondContact O-N 3.12Å; E54-K107 HydrophobicContact CB-CB 3.96Å; E54-K107 HydrophobicContact CB-CG 4.26Å; E54-K107 VanDerWaalsContact CD-NZ 3.32Å; E54-K107 HydrophobicContact CG-CB 4.36Å; E54-K107 PolarHBondContact N-O 3.46Å; E54-K107 PolarHBondContact O-N 3.5Å; E54-K107 IonicContact OE1-NZ 3.1Å; E54-K107 PolarHBondContact OE1-NZ 3.46Å; E54-K107 VanDerWaalsContact OE1-NZ 3.1Å; E54-K107 VanDerWaalsContact OE2-CD 3.23Å; E54-K107 WeakPolarHBondContact OE2-CD 3.47Å; E54-K107 WeakPolarHBondContact OE2-CE 3.38Å; E54-K107 IonicContact OE2-NZ 2.76Å; E54-K107 PolarHBondContact OE2-NZ 2.68Å
55I96.8Very high95.1Very high1 Ų162 Ų621%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-130.6158.3-173.369.170.5000112D53 V57 I66 G67 V69 V81 V103 M104 I105D53-I55 HydrophobicContact CB-CG2 4.38Å; I55-V57 HydrophobicContact CD1-CG2 4.27Å; I55-I66 CarbonylContact O-C 3.5Å; I55-I66 VanDerWaalsContact O-CA 3.28Å; I55-I66 WeakPolarHBondContact O-CA 3.45Å; I55-G67 PolarHBondContact N-O 3.18Å; I55-G67 PolarHBondContact O-N 3.4Å; I55-V69 HydrophobicContact CG1-CG2 3.94Å; I55-V69 HydrophobicContact CG2-CG2 3.72Å; I55-V81 HydrophobicContact CD1-CB 4.36Å; I55-V81 HydrophobicContact CD1-CG1 3.62Å; I55-V81 HydrophobicContact CD1-CG2 3.82Å; I55-V81 HydrophobicContact CG1-CG1 4Å; I55-V81 HydrophobicContact CG1-CG2 3.99Å; I55-V103 HydrophobicContact CB-CG1 3.34Å; I55-V103 HydrophobicContact CD1-CG1 3.56Å; I55-V103 HydrophobicContact CD1-CG2 4.49Å; I55-V103 HydrophobicContact CG1-CG1 3.57Å; I55-V103 HydrophobicContact CG2-CG1 3.87Å; I55-M104 CarbonylContact C-O 3.54Å; I55-M104 WeakPolarHBondContact CA-O 3.35Å; I55-M104 WeakPolarHBondContact CB-O 3.45Å; I55-I105 HydrophobicContact CG2-CG1 4.26Å
56Q96.5Very high95.1Very high67 Ų6758.1 Ų58.131%0.31331%0.31SS..EExtended strand (participates in β ladder)trans-120.1136.1169.2-170.1174.326.800110N65 I66 V103 M104 I106Q56-N65 WeakPolarHBondContact CA-O 3.02Å; Q56-I66 HydrophobicContact CB-CG1 4.17Å; Q56-I66 HydrophobicContact CG-CG1 3.95Å; Q56-V103 WeakPolarHBondContact O-CA 3.33Å; Q56-M104 PolarHBondContact N-O 3.3Å; Q56-M104 PolarHBondContact O-N 2.92Å; Q56-I106 HydrophobicContact CB-CD1 3.58Å; Q56-I106 HydrophobicContact CB-CG1 4.05Å; Q56-I106 HydrophobicContact CG-CD1 4.44Å
57V96.6Very high95.1Very high2 Ų256.5 Ų56.51%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-79124.2173.8-175.80000109.9I55 C59 N62 G64 N65 I84 L98I55-V57 HydrophobicContact CD1-CG2 4.27Å; V57-C59 VanDerWaalsContact CG1-O 3.29Å; V57-C59 WeakPolarHBondContact CG1-O 3.28Å; V57-N62 VanDerWaalsContact CB-O 3.29Å; V57-N62 WeakPolarHBondContact CB-O 3.19Å; V57-G64 PolarHBondContact O-N 3.21Å; V57-N65 PolarHBondContact N-O 3.3Å; V57-I84 HydrophobicContact CG2-CD1 3.44Å; V57-I84 VanDerWaalsContact CG2-CD1 3.44Å; V57-L98 HydrophobicContact CG2-CD1 3.61Å
58I95.7Very high95.2Very high57 Ų5760.9 Ų60.929%0.29232%0.318SS..  trans-92.2-37.9-178.2-49.1172.4000111K63 N102 M104I58-K63 WeakPolarHBondContact O-CD 3.31Å; I58-K63 VanDerWaalsContact O-CE 3.26Å; I58-K63 WeakPolarHBondContact O-CE 3.48Å; I58-K63 VanDerWaalsContact O-CG 3.25Å; I58-K63 WeakPolarHBondContact O-CG 3.25Å; I58-N102 PolarHBondContact N-O 2.9Å; I58-M104 HydrophobicContact CD1-CB 3.74Å; I58-M104 HydrophobicContact CD1-CE 3.78Å; I58-M104 HydrophobicContact CG1-CB 3.83Å; I58-M104 HydrophobicContact CG1-CE 4.27Å
59C93.9Very high95.2Very high65 Ų6560.1 Ų60.144%0.43931%0.313SS..SBendtrans-132.9148.2-171.6-610000111.2V57 N102V57-C59 VanDerWaalsContact CG1-O 3.29Å; V57-C59 WeakPolarHBondContact CG1-O 3.28Å; C59-N102 HydrophobicContact CB-CB 4.27Å; C59-N102 PolarHBondContact N-O 2.53Å
60G93.5Very high95.2Very high59 Ų5962.9 Ų62.961%0.60833%0.328SS*.SBendtrans102.4-174.1177.400000113.5N62 K63G60-N62 VanDerWaalsContact C-N 3.28Å; G60-N62 PolarHBondContact O-N 2.82Å; G60-K63 VanDerWaalsContact O-CB 3.31Å; G60-K63 WeakPolarHBondContact O-CB 3.18Å; G60-K63 PolarHBondContact O-N 2.91Å
61H93Very high95.3Very high184 Ų18465.1 Ų65.185%0.85234%0.336SS*.THydrogen-bonded Turntrans-59.1-36.2-174.9178.269.7000113.3K63H61-K63 VanDerWaalsContact C-N 3.31Å; H61-K63 PolarHBondContact O-N 2.76Å
62N91.5Very high95.3Very high27 Ų2760.9 Ų60.914%0.14432%0.32CS..THydrogen-bonded Turntrans-9322.6-177.7-57.173.7000113V57 G60 N65 I84V57-N62 VanDerWaalsContact CB-O 3.29Å; V57-N62 WeakPolarHBondContact CB-O 3.19Å; G60-N62 VanDerWaalsContact C-N 3.28Å; G60-N62 PolarHBondContact O-N 2.82Å; N62-N65 WeakPolarHBondContact O-CB 2.98Å; N62-N65 PolarHBondContact O-N 3.4Å; N62-I84 HydrophobicContact CB-CD1 4.4Å; N62-I84 HydrophobicContact CB-CG2 4.37Å
63K94.3Very high95.3Very high145 Ų14562.6 Ų62.663%0.6332%0.324SS*.THydrogen-bonded Turntrans-56.2137.8-178.9175.6177.9-177.7-170.40111.1I58 G60 H61 N65I58-K63 WeakPolarHBondContact O-CD 3.31Å; I58-K63 VanDerWaalsContact O-CE 3.26Å; I58-K63 WeakPolarHBondContact O-CE 3.48Å; I58-K63 VanDerWaalsContact O-CG 3.25Å; I58-K63 WeakPolarHBondContact O-CG 3.25Å; G60-K63 VanDerWaalsContact O-CB 3.31Å; G60-K63 WeakPolarHBondContact O-CB 3.18Å; G60-K63 PolarHBondContact O-N 2.91Å; H61-K63 VanDerWaalsContact C-N 3.31Å; H61-K63 PolarHBondContact O-N 2.76Å; K63-N65 VanDerWaalsContact C-N 3.31Å
64G93.5Very high95.3Very high40 Ų4066.3 Ų66.341%0.41234%0.338SS..THydrogen-bonded Turntrans93.2-24.7179.600000113.7V57 I66V57-G64 PolarHBondContact O-N 3.21Å; G64-I66 PolarHBondContact O-N 3.44Å
65N94.2Very high95.2Very high74 Ų7471.1 Ų71.140%0.39636%0.358SS..  trans-65.4133.9179.4-67.65.7000111.1Q56 V57 N62 K63 I84Q56-N65 WeakPolarHBondContact CA-O 3.02Å; V57-N65 PolarHBondContact N-O 3.3Å; N62-N65 WeakPolarHBondContact O-CB 2.98Å; N62-N65 PolarHBondContact O-N 3.4Å; K63-N65 VanDerWaalsContact C-N 3.31Å; N65-I84 HydrophobicContact CB-CD1 4.24Å; N65-I84 HydrophobicContact CB-CG1 4.46Å
66I95.5Very high95.1Very high93 Ų9377.9 Ų77.948%0.47739%0.387SS..EExtended strand (participates in β ladder)trans-106.5134.7174.3-60.5171.7000108I55 Q56 G64 I106I55-I66 CarbonylContact O-C 3.5Å; I55-I66 VanDerWaalsContact O-CA 3.28Å; I55-I66 WeakPolarHBondContact O-CA 3.45Å; Q56-I66 HydrophobicContact CB-CG1 4.17Å; Q56-I66 HydrophobicContact CG-CG1 3.95Å; G64-I66 PolarHBondContact O-N 3.44Å; I66-I106 HydrophobicContact CB-CD1 4.45Å; I66-I106 HydrophobicContact CD1-CD1 3.83Å; I66-I106 HydrophobicContact CG1-CD1 3.81Å; I66-I106 HydrophobicContact CG2-CD1 3.84Å
67G95.6Very high95.1Very high8 Ų876.3 Ų76.38%0.08238%0.379CS..EExtended strand (participates in β ladder)trans-161.3162.9179.100000112.7I55I55-G67 PolarHBondContact N-O 3.18Å; I55-G67 PolarHBondContact O-N 3.4Å
68K97Very high95.1Very high93 Ų9377.8 Ų77.840%0.40439%0.388SS..EExtended strand (participates in β ladder)trans-87.5140.4177.8-170.8173.6178.2-176.20110.4D52 L70 V81 D82D52-K68 WeakPolarHBondContact OD1-CE 3.22Å; D52-K68 IonicContact OD1-NZ 3.84Å; D52-K68 PolarHBondContact OD1-NZ 3.12Å; K68-L70 PolarHBondContact O-N 3.23Å; K68-V81 WeakPolarHBondContact O-CA 3.48Å; K68-D82 HydrophobicContact CB-CB 4.44Å; K68-D82 WeakPolarHBondContact O-CB 3.22Å; K68-D82 PolarHBondContact O-N 2.71Å
69V97.2Very high95.2Very high0 Ų075.2 Ų75.20%037%0.374CS..EExtended strand (participates in β ladder)trans-72.9114.1177.5176.20000110.4I49 R50 D52 D53 I55 V72 I79I49-V69 HydrophobicContact CG2-CB 4.5Å; I49-V69 HydrophobicContact CG2-CG1 4.09Å; I49-V69 HydrophobicContact CG2-CG2 3.96Å; R50-V69 WeakPolarHBondContact O-CB 3.42Å; R50-V69 WeakPolarHBondContact O-CG1 3.29Å; D52-V69 PolarHBondContact N-O 3.42Å; D53-V69 HydrophobicContact CB-CG2 4.47Å; D53-V69 WeakPolarHBondContact O-CG2 3.48Å; D53-V69 PolarHBondContact O-N 3.17Å; I55-V69 HydrophobicContact CG1-CG2 3.94Å; I55-V69 HydrophobicContact CG2-CG2 3.72Å; V69-V72 HydrophobicContact CG1-CG2 3.87Å; V69-I79 HydrophobicContact CB-CG2 4.31Å; V69-I79 HydrophobicContact CG1-CG2 3.45Å; V69-I79 VanDerWaalsContact CG1-CG2 3.45Å; V69-I79 HydrophobicContact CG2-CG2 3.99Å
70L96.2Very high95.3Very high65 Ų6574.1 Ų74.134%0.3436%0.363SS..EExtended strand (participates in β ladder)trans-79.9-47.1178.6-65.2174.7000111.8K51 K68 H80 D82 H95K51-L70 WeakPolarHBondContact CD-O 2.84Å; K51-L70 WeakPolarHBondContact CE-O 3.25Å; K51-L70 WeakPolarHBondContact CG-O 3.29Å; K68-L70 PolarHBondContact O-N 3.23Å; L70-H80 PolarHBondContact N-O 3.4Å; L70-D82 HydrophobicContact CD1-CB 4.29Å; L70-D82 HydrophobicContact CD2-CB 4.25Å; L70-D82 HydrophobicContact CG-CB 4.14Å; L70-H95 WeakPolarHBondContact CD1-NE2 3.5Å
71R95.4Very high95.4Very high166 Ų16671.3 Ų71.363%0.62633%0.334SS*.EExtended strand (participates in β ladder)trans-149.5136.3-177.3-165.6175.6-170.1174.74.6111.5H80R71-H80 PolarHBondContact N-O 2.99Å; R71-H80 PolarHBondContact O-N 3.48Å
72V96.6Very high95.5Very high29 Ų2965.6 Ų65.618%0.17631%0.31CS..EExtended strand (participates in β ladder)trans-99.1101.9170.6-176.40000108.6M30 I49 V69 R74 I79M30-V72 HydrophobicContact CE-CG1 3.93Å; M30-V72 HydrophobicContact SD-CG1 4.23Å; I49-V72 HydrophobicContact CG2-CG2 3.86Å; V69-V72 HydrophobicContact CG1-CG2 3.87Å; V72-R74 HydrophobicContact CG1-CG 4.03Å; V72-R74 PolarHBondContact O-N 3.38Å; V72-I79 HydrophobicContact CG1-CG1 4.32Å
73Y96.1Very high95.4Very high79 Ų7972 Ų7231%0.3134%0.336SS..EExtended strand (participates in β ladder)trans-90.879.4-177.4-164.8-169.7000111.9K75 K76 W77 V78Y73-K75 HydrophobicContact CD2-CB 4.09Å; Y73-K75 HydrophobicContact CE2-CB 3.63Å; Y73-K75 PolarHBondContact O-N 3.48Å; Y73-K75 VanDerWaalsContact O-N 3.11Å; Y73-K76 HydrophobicContact CD1-CB 4.02Å; Y73-K76 HydrophobicContact CD1-CD 3.92Å; Y73-K76 HydrophobicContact CD1-CG 3.94Å; Y73-K76 HydrophobicContact CE1-CB 4.25Å; Y73-K76 HydrophobicContact CE1-CD 3.51Å; Y73-K76 HydrophobicContact CE1-CG 3.64Å; Y73-K76 HydrophobicContact CG-CB 4.42Å; Y73-K76 PolarHBondContact O-N 3.25Å; Y73-K76 VanDerWaalsContact O-N 3.11Å; Y73-W77 PolarHBondContact O-N 3.07Å; Y73-V78 CarbonylContact C-O 3.54Å; Y73-V78 WeakPolarHBondContact CA-O 3.48Å; Y73-V78 PolarHBondContact N-O 3.32Å; Y73-V78 PolarHBondContact O-N 3.35Å
74R95.9Very high95.4Very high78 Ų7865.1 Ų65.129%0.29431%0.306SS..THydrogen-bonded Turntrans-59.4-25.3-175.6-61.8-176.4-174.9155.67.3114.7S23 R26 M30 V72 K76S23-R74 PolarHBondContact OG-NH1 3.44Å; R26-R74 HydrophobicContact CB-CB 4.28Å; R26-R74 WeakPolarHBondContact CD-O 3.42Å; R26-R74 PolarHBondContact NH1-O 2.85Å; M30-R74 HydrophobicContact SD-CB 4.26Å; M30-R74 HydrophobicContact SD-CG 3.97Å; V72-R74 HydrophobicContact CG1-CG 4.03Å; V72-R74 PolarHBondContact O-N 3.38Å; R74-K76 VanDerWaalsContact C-N 3.33Å
75K94.6Very high95.4Very high162 Ų16265.7 Ų65.770%0.70430%0.302SS*.THydrogen-bonded Turntrans-65.2-38.9178-167.1174.8-179177.10111.4R26 Y73R26-K75 VanDerWaalsContact NH1-CA 3.28Å; R26-K75 PolarHBondContact NH1-O 3.43Å; Y73-K75 HydrophobicContact CD2-CB 4.09Å; Y73-K75 HydrophobicContact CE2-CB 3.63Å; Y73-K75 PolarHBondContact O-N 3.48Å; Y73-K75 VanDerWaalsContact O-N 3.11Å
76K95.4Very high95.4Very high143 Ų14370.1 Ų70.162%0.62231%0.313SS*.THydrogen-bonded Turntrans-100.44-177.5-67.9-165.7-179.8-175.90114.4Y73 R74 V78Y73-K76 HydrophobicContact CD1-CB 4.02Å; Y73-K76 HydrophobicContact CD1-CD 3.92Å; Y73-K76 HydrophobicContact CD1-CG 3.94Å; Y73-K76 HydrophobicContact CE1-CB 4.25Å; Y73-K76 HydrophobicContact CE1-CD 3.51Å; Y73-K76 HydrophobicContact CE1-CG 3.64Å; Y73-K76 HydrophobicContact CG-CB 4.42Å; Y73-K76 PolarHBondContact O-N 3.25Å; Y73-K76 VanDerWaalsContact O-N 3.11Å; R74-K76 VanDerWaalsContact C-N 3.33Å; K76-V78 VanDerWaalsContact C-N 3.25Å; K76-V78 HydrophobicContact CB-CB 4.47Å; K76-V78 WeakPolarHBondContact O-CG2 3.4Å; K76-V78 PolarHBondContact O-N 2.87Å
77W95.7Very high95.4Very high34 Ų3471.3 Ų71.313%0.12932%0.32CS..THydrogen-bonded Turntrans61.729.6-177.2-63.797.2000114.5H18 A21 R26 M29 M30 Y73H18-W77 AromaticContact CE1-CD2 3.99Å; H18-W77 AromaticContact CE1-CE2 3.71Å; H18-W77 AromaticContact CE1-CZ2 3.94Å; H18-W77 AromaticContact CE1-NE1 3.96Å; H18-W77 AromaticContact NE2-CH2 3.94Å; H18-W77 AromaticContact NE2-CZ2 3.93Å; H18-W77 WeakPolarHBondContact O-CZ2 3.28Å; A21-W77 HydrophobicContact CB-CZ2 4.46Å; R26-W77 HydrophobicContact CB-CH2 3.84Å; R26-W77 HydrophobicContact CB-CZ2 4.29Å; R26-W77 HydrophobicContact CB-CZ3 4.2Å; R26-W77 HydrophobicContact CG-CH2 3.65Å; R26-W77 HydrophobicContact CG-CZ2 3.66Å; R26-W77 HydrophobicContact CG-CZ3 4.44Å; M29-W77 HydrophobicContact CB-CH2 3.75Å; M29-W77 HydrophobicContact CB-CZ3 3.51Å; M29-W77 HydrophobicContact CG-CH2 4.28Å; M29-W77 HydrophobicContact CG-CZ3 4.48Å; M29-W77 HydrophobicContact SD-CH2 3.54Å; M29-W77 VanDerWaalsContact SD-CH2 3.54Å; M29-W77 HydrophobicContact SD-CZ2 4.41Å; M29-W77 HydrophobicContact SD-CZ3 4.25Å; M30-W77 HydrophobicContact CG-CE3 3.58Å; M30-W77 HydrophobicContact CG-CZ3 3.72Å; M30-W77 HydrophobicContact SD-CE3 4.13Å; Y73-W77 PolarHBondContact O-N 3.07Å
78V96.4Very high95.4Very high33 Ų3376.3 Ų76.320%0.234%0.34CS..EExtended strand (participates in β ladder)trans-129.4151-169.1162.80000111.4Y73 K76 L98Y73-V78 CarbonylContact C-O 3.54Å; Y73-V78 WeakPolarHBondContact CA-O 3.48Å; Y73-V78 PolarHBondContact N-O 3.32Å; Y73-V78 PolarHBondContact O-N 3.35Å; K76-V78 VanDerWaalsContact C-N 3.25Å; K76-V78 HydrophobicContact CB-CB 4.47Å; K76-V78 WeakPolarHBondContact O-CG2 3.4Å; K76-V78 PolarHBondContact O-N 2.87Å; V78-L98 CarbonylContact C-O 3.58Å; V78-L98 WeakPolarHBondContact CA-O 3.48Å
79I96.9Very high95.4Very high2 Ų277.6 Ų77.61%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-116.1140.8172.1-60.7159.4000109.3M30 I49 V69 V72 V81 L98 P100M30-I79 HydrophobicContact CE-CD1 4.38Å; M30-I79 HydrophobicContact CE-CG1 3.87Å; I49-I79 HydrophobicContact CB-CD1 3.98Å; I49-I79 HydrophobicContact CD1-CD1 3.31Å; I49-I79 HydrophobicContact CG1-CD1 4.15Å; I49-I79 HydrophobicContact CG2-CD1 3.81Å; I49-I79 HydrophobicContact CG2-CG1 4.42Å; V69-I79 HydrophobicContact CB-CG2 4.31Å; V69-I79 HydrophobicContact CG1-CG2 3.45Å; V69-I79 VanDerWaalsContact CG1-CG2 3.45Å; V69-I79 HydrophobicContact CG2-CG2 3.99Å; V72-I79 HydrophobicContact CG1-CG1 4.32Å; I79-V81 HydrophobicContact CG2-CG2 4.03Å; I79-L98 PolarHBondContact N-O 3.38Å; I79-L98 PolarHBondContact O-N 2.92Å; I79-P100 HydrophobicContact CD1-CB 3.56Å; I79-P100 HydrophobicContact CD1-CG 4.18Å
80H96.7Very high95.3Very high43 Ų4383.3 Ų83.320%0.19940%0.398CS..EExtended strand (participates in β ladder)trans-104.1130.5169.5-61.4-56.1000109.2L70 R71 H95L70-H80 PolarHBondContact N-O 3.4Å; R71-H80 PolarHBondContact N-O 2.99Å; R71-H80 PolarHBondContact O-N 3.48Å; H80-H95 HydrophobicContact CB-CB 3.97Å
81V95.8Very high95.2Very high0 Ų083.2 Ų83.20%041%0.413CS..EExtended strand (participates in β ladder)trans-120.6141.4-174.1-177.80000107.6I55 K68 I79 I84 L98I55-V81 HydrophobicContact CD1-CB 4.36Å; I55-V81 HydrophobicContact CD1-CG1 3.62Å; I55-V81 HydrophobicContact CD1-CG2 3.82Å; I55-V81 HydrophobicContact CG1-CG1 4Å; I55-V81 HydrophobicContact CG1-CG2 3.99Å; K68-V81 WeakPolarHBondContact O-CA 3.48Å; I79-V81 HydrophobicContact CG2-CG2 4.03Å; V81-I84 HydrophobicContact CB-CB 4.25Å; V81-I84 HydrophobicContact CB-CD1 3.96Å; V81-I84 HydrophobicContact CB-CG1 4.26Å; V81-I84 HydrophobicContact CG1-CD1 3.87Å; V81-I84 HydrophobicContact CG1-CG1 4.24Å; V81-I84 PolarHBondContact O-N 2.87Å; V81-L98 HydrophobicContact CG2-CD1 4Å
82D94.2Very high95.2Very high64 Ų6477.3 Ų77.334%0.34240%0.399SS..THydrogen-bonded Turntrans-58.3144175-173.638000111.1K68 L70 I84K68-D82 HydrophobicContact CB-CB 4.44Å; K68-D82 WeakPolarHBondContact O-CB 3.22Å; K68-D82 PolarHBondContact O-N 2.71Å; L70-D82 HydrophobicContact CD1-CB 4.29Å; L70-D82 HydrophobicContact CD2-CB 4.25Å; L70-D82 HydrophobicContact CG-CB 4.14Å; D82-I84 PolarHBondContact O-N 2.94Å
83K90.1Very high95.1Very high160 Ų16080 Ų8070%0.69642%0.416SS*.THydrogen-bonded Turntrans612.2-176.3-52.1-179.7-179.4-176.90116.4T85K83-T85 PolarHBondContact O-N 3.37Å
84I93.7Very high95.1Very high1 Ų178.7 Ų78.71%0.00542%0.416CS..  trans-100.682.8173.7-61-174.1000108.2V57 N62 N65 V81 D82 H95 V96 L98V57-I84 HydrophobicContact CG2-CD1 3.44Å; V57-I84 VanDerWaalsContact CG2-CD1 3.44Å; N62-I84 HydrophobicContact CB-CD1 4.4Å; N62-I84 HydrophobicContact CB-CG2 4.37Å; N65-I84 HydrophobicContact CB-CD1 4.24Å; N65-I84 HydrophobicContact CB-CG1 4.46Å; V81-I84 HydrophobicContact CB-CB 4.25Å; V81-I84 HydrophobicContact CB-CD1 3.96Å; V81-I84 HydrophobicContact CB-CG1 4.26Å; V81-I84 HydrophobicContact CG1-CD1 3.87Å; V81-I84 HydrophobicContact CG1-CG1 4.24Å; V81-I84 PolarHBondContact O-N 2.87Å; D82-I84 PolarHBondContact O-N 2.94Å; I84-H95 WeakPolarHBondContact O-CA 3.45Å; I84-V96 HydrophobicContact CG2-CB 4.01Å; I84-V96 PolarHBondContact O-N 2.77Å; I84-L98 HydrophobicContact CD1-CD1 3.58Å; I84-L98 HydrophobicContact CG2-CD1 4.08Å; I84-L98 HydrophobicContact CG2-CG 4.34Å
85T95.1Very high95Very high53 Ų5378.4 Ų78.433%0.32542%0.418SS..EExtended strand (participates in β ladder)trans-124.1162.8-175.1510000111.1K83 V94K83-T85 PolarHBondContact O-N 3.37Å; T85-V94 CarbonylContact C-O 3.53Å; T85-V94 VanDerWaalsContact CA-O 3.28Å; T85-V94 WeakPolarHBondContact CA-O 3.46Å
86R94.2Very high95Very high167 Ų16772.5 Ų72.563%0.6340%0.396SS*.EExtended strand (participates in β ladder)trans-132.5149.5165.866.2177.6-175.6178.45.3108.6V94 V96R86-V94 PolarHBondContact N-O 3.15Å; R86-V94 PolarHBondContact O-N 2.81Å; R86-V96 HydrophobicContact CB-CG2 3.81Å; R86-V96 HydrophobicContact CG-CG2 3.85Å
87D94.7Very high95Very high118 Ų11867.6 Ų67.663%0.63139%0.385SS*.EExtended strand (participates in β ladder)trans-81.6144.7176.5-57.3-46.4000110.9T93D87-T93 VanDerWaalsContact OD1-CG2 3.31Å; D87-T93 WeakPolarHBondContact OD1-CG2 3.46Å
88K96.1Very high95Very high112 Ų11267 Ų6749%0.48738%0.384SS..  trans-90.8163.4167-75.4173.8162.4169.80109.5N90 G91 A92 V94K88-N90 WeakPolarHBondContact CB-OD1 3.09Å; K88-N90 PolarHBondContact O-N 3.34Å; K88-G91 PolarHBondContact O-N 3.22Å; K88-A92 WeakPolarHBondContact CB-O 3.12Å; K88-A92 HydrophobicContact CD-CB 4.49Å; K88-A92 PolarHBondContact N-O 2.83Å; K88-V94 HydrophobicContact CD-CG2 3.73Å; K88-V94 HydrophobicContact CG-CG2 4.14Å
89A95.8Very high94.9Very high120 Ų12068.3 Ų68.399%0.99239%0.39SS*.THydrogen-bonded Turntrans-56.7-23.9174.400000113.9G91A89-G91 VanDerWaalsContact C-N 3.33Å
90N95.9Very high94.9Very high121 Ų12168.5 Ų68.565%0.64739%0.392SS*.THydrogen-bonded Turntrans-88.79.7176.573.5-23.2000114.2K88 A92K88-N90 WeakPolarHBondContact CB-OD1 3.09Å; K88-N90 PolarHBondContact O-N 3.34Å; N90-A92 VanDerWaalsContact C-N 3.28Å; N90-A92 PolarHBondContact O-N 2.88Å; N90-A92 WeakPolarHBondContact OD1-CB 3.28Å; N90-A92 PolarHBondContact OD1-N 2.57Å
91G93Very high94.8Very high62 Ų6270 Ų7064%0.63941%0.407SS*.SBendtrans80.6-5.9-179.300000115.5K88 A89K88-G91 PolarHBondContact O-N 3.22Å; A89-G91 VanDerWaalsContact C-N 3.33Å
92A95.5Very high94.8Very high42 Ų4273.1 Ų73.135%0.34742%0.424SS..  trans-79.1134.817700000112K88 N90K88-A92 WeakPolarHBondContact CB-O 3.12Å; K88-A92 HydrophobicContact CD-CB 4.49Å; K88-A92 PolarHBondContact N-O 2.83Å; N90-A92 VanDerWaalsContact C-N 3.28Å; N90-A92 PolarHBondContact O-N 2.88Å; N90-A92 WeakPolarHBondContact OD1-CB 3.28Å; N90-A92 PolarHBondContact OD1-N 2.57Å
93T95.6Very high94.9Very high87 Ų8770.2 Ų70.253%0.53441%0.408SS..EExtended strand (participates in β ladder)trans-78.6139174.961.40000111.6D87D87-T93 VanDerWaalsContact OD1-CG2 3.31Å; D87-T93 WeakPolarHBondContact OD1-CG2 3.46Å
94V94.8Very high95.3Very high50 Ų5064.5 Ų64.530%0.30339%0.385SS..EExtended strand (participates in β ladder)trans-129.7138.1170.6175.50000111.2T85 R86 K88 V96T85-V94 CarbonylContact C-O 3.53Å; T85-V94 VanDerWaalsContact CA-O 3.28Å; T85-V94 WeakPolarHBondContact CA-O 3.46Å; R86-V94 PolarHBondContact N-O 3.15Å; R86-V94 PolarHBondContact O-N 2.81Å; K88-V94 HydrophobicContact CD-CG2 3.73Å; K88-V94 HydrophobicContact CG-CG2 4.14Å; V94-V96 PolarHBondContact O-N 2.93Å
95H94.9Very high95.4Very high73 Ų7364.5 Ų64.534%0.33838%0.384SS..EExtended strand (participates in β ladder)trans-61126.7176.8-57.587.6000111.8L70 H80 I84L70-H95 WeakPolarHBondContact CD1-NE2 3.5Å; H80-H95 HydrophobicContact CB-CB 3.97Å; I84-H95 WeakPolarHBondContact O-CA 3.45Å
96V94.2Very high95.5Very high38 Ų3864 Ų6423%0.2338%0.38CS..PPolyproline II helixtrans-72.8138.8171.7-179.10000108.5I84 R86 V94I84-V96 HydrophobicContact CG2-CB 4.01Å; I84-V96 PolarHBondContact O-N 2.77Å; R86-V96 HydrophobicContact CB-CG2 3.81Å; R86-V96 HydrophobicContact CG-CG2 3.85Å; V94-V96 PolarHBondContact O-N 2.93Å
97G95.4Very high95.6Very high39 Ų3961.4 Ų61.440%0.40237%0.373SS..PPolyproline II helixtrans-82119.2177.800000111.9
98L95.5Very high95.6Very high21 Ų2157 Ų5711%0.1135%0.349CS..BIsolated β-bridgetrans-104.9142.5175.7-62.6178.1000111.9V57 V78 I79 V81 I84 V103V57-L98 HydrophobicContact CG2-CD1 3.61Å; V78-L98 CarbonylContact C-O 3.58Å; V78-L98 WeakPolarHBondContact CA-O 3.48Å; I79-L98 PolarHBondContact N-O 3.38Å; I79-L98 PolarHBondContact O-N 2.92Å; V81-L98 HydrophobicContact CG2-CD1 4Å; I84-L98 HydrophobicContact CD1-CD1 3.58Å; I84-L98 HydrophobicContact CG2-CD1 4.08Å; I84-L98 HydrophobicContact CG2-CG 4.34Å; L98-V103 HydrophobicContact CB-CG2 4.44Å; L98-V103 HydrophobicContact CD1-CG2 4.41Å
99D95.6Very high95.6Very high62 Ų6255.7 Ų55.733%0.33234%0.343SS..  trans-77.4134.2169.5-175.583.2000110.2S101 N102D99-S101 PolarHBondContact O-N 3.24Å; D99-S101 VanDerWaalsContact OD2-CB 3.22Å; D99-S101 WeakPolarHBondContact OD2-CB 3.48Å; D99-S101 PolarHBondContact OD2-N 3.31Å; D99-S101 PolarHBondContact OD2-OG 2.68Å; D99-N102 PolarHBondContact O-N 2.82Å
100P96Very high95.5Very high5 Ų553.1 Ų53.13%0.03231%0.313CS..G310 helixtrans-54.6-33.6178.715-28.6000114.6M30 S32 I49 I79 N102 V103M30-P100 HydrophobicContact CB-CB 4.47Å; M30-P100 HydrophobicContact CB-CG 3.93Å; M30-P100 HydrophobicContact CE-CG 3.96Å; M30-P100 HydrophobicContact CG-CG 4.03Å; S32-P100 WeakPolarHBondContact CB-O 3.48Å; S32-P100 VanDerWaalsContact OG-C 3.23Å; S32-P100 WeakPolarHBondContact OG-CA 3.36Å; S32-P100 VanDerWaalsContact OG-CB 3.28Å; S32-P100 WeakPolarHBondContact OG-CB 3.48Å; S32-P100 PolarHBondContact OG-O 3.42Å; I49-P100 HydrophobicContact CD1-CB 4.17Å; I79-P100 HydrophobicContact CD1-CB 3.56Å; I79-P100 HydrophobicContact CD1-CG 4.18Å; P100-N102 PolarHBondContact O-N 3.2Å; P100-V103 PolarHBondContact O-N 2.9Å
101S95.7Very high95.4Very high75 Ų7549.1 Ų49.152%0.52429%0.291SS..G310 helixtrans-69.5-22.2-175.768.90000113D99 V103D99-S101 PolarHBondContact O-N 3.24Å; D99-S101 VanDerWaalsContact OD2-CB 3.22Å; D99-S101 WeakPolarHBondContact OD2-CB 3.48Å; D99-S101 PolarHBondContact OD2-N 3.31Å; D99-S101 PolarHBondContact OD2-OG 2.68Å; S101-V103 PolarHBondContact O-N 3.2Å
102N95.4Very high95.6Very high66 Ų6653.4 Ų53.435%0.35329%0.292SS..G310 helixtrans-85.15.8178.2-65.7-23.4000113.5I58 C59 D99 P100I58-N102 PolarHBondContact N-O 2.9Å; C59-N102 HydrophobicContact CB-CB 4.27Å; C59-N102 PolarHBondContact N-O 2.53Å; D99-N102 PolarHBondContact O-N 2.82Å; P100-N102 PolarHBondContact O-N 3.2Å
103V96.5Very high95.6Very high2 Ų256.5 Ų56.51%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-124.9143.7-169.7174.80000110.7I49 I55 Q56 L98 P100 S101I49-V103 HydrophobicContact CD1-CG1 4.37Å; I55-V103 HydrophobicContact CB-CG1 3.34Å; I55-V103 HydrophobicContact CD1-CG1 3.56Å; I55-V103 HydrophobicContact CD1-CG2 4.49Å; I55-V103 HydrophobicContact CG1-CG1 3.57Å; I55-V103 HydrophobicContact CG2-CG1 3.87Å; Q56-V103 WeakPolarHBondContact O-CA 3.33Å; L98-V103 HydrophobicContact CB-CG2 4.44Å; L98-V103 HydrophobicContact CD1-CG2 4.41Å; P100-V103 PolarHBondContact O-N 2.9Å; S101-V103 PolarHBondContact O-N 3.2Å
104M97Very high95.5Very high41 Ų4153 Ų5320%0.20228%0.28CS..EExtended strand (participates in β ladder)trans-107.5137.3172.2-163.9173.1-68.400110.2T33 S35 I55 Q56 I58T33-M104 CarbonylContact O-C 3.59Å; T33-M104 WeakPolarHBondContact O-CA 3.36Å; T33-M104 WeakPolarHBondContact O-CG 3.32Å; S35-M104 VanDerWaalsContact CA-SD 3.54Å; I55-M104 CarbonylContact C-O 3.54Å; I55-M104 WeakPolarHBondContact CA-O 3.35Å; I55-M104 WeakPolarHBondContact CB-O 3.45Å; Q56-M104 PolarHBondContact N-O 3.3Å; Q56-M104 PolarHBondContact O-N 2.92Å; I58-M104 HydrophobicContact CD1-CB 3.74Å; I58-M104 HydrophobicContact CD1-CE 3.78Å; I58-M104 HydrophobicContact CG1-CB 3.83Å; I58-M104 HydrophobicContact CG1-CE 4.27Å
105I97.2Very high95.6Very high0 Ų056.3 Ų56.30%029%0.287CS..EExtended strand (participates in β ladder)trans-85.4123.9171.6-50.5179000108.8T33 L34 S35 L38 M47 I49 D53 I55 K107 L108T33-I105 PolarHBondContact O-N 2.62Å; L34-I105 HydrophobicContact CD2-CB 3.85Å; L34-I105 HydrophobicContact CD2-CD1 3.95Å; L34-I105 HydrophobicContact CD2-CG1 4.29Å; L34-I105 HydrophobicContact CD2-CG2 4.37Å; S35-I105 WeakPolarHBondContact CB-O 3.16Å; S35-I105 PolarHBondContact N-O 3.04Å; L38-I105 HydrophobicContact CD1-CG2 4.35Å; M47-I105 HydrophobicContact CB-CD1 4.29Å; I49-I105 HydrophobicContact CG1-CD1 3.94Å; I49-I105 HydrophobicContact CG1-CG1 4.28Å; D53-I105 HydrophobicContact CB-CG2 4.29Å; I55-I105 HydrophobicContact CG2-CG1 4.26Å; I105-K107 WeakPolarHBondContact CG2-O 3.43Å; I105-L108 HydrophobicContact CB-CD2 4.49Å; I105-L108 HydrophobicContact CD1-CD2 4.09Å; I105-L108 HydrophobicContact CG2-CD2 3.66Å; I105-L108 HydrophobicContact CG2-CG 4.11Å
106I96.5Very high95.6Very high44 Ų4456.5 Ų56.523%0.22629%0.29CS..EExtended strand (participates in β ladder)trans-94.5-45.2175.5-61.4168.2000110.6L38 E54 Q56 I66L38-I106 WeakPolarHBondContact CD1-O 3.39Å; L38-I106 WeakPolarHBondContact CG-O 3.26Å; E54-I106 PolarHBondContact O-N 3.12Å; Q56-I106 HydrophobicContact CB-CD1 3.58Å; Q56-I106 HydrophobicContact CB-CG1 4.05Å; Q56-I106 HydrophobicContact CG-CD1 4.44Å; I66-I106 HydrophobicContact CB-CD1 4.45Å; I66-I106 HydrophobicContact CD1-CD1 3.83Å; I66-I106 HydrophobicContact CG1-CD1 3.81Å; I66-I106 HydrophobicContact CG2-CD1 3.84Å
107K96Very high95.7Very high112 Ų11256.5 Ų56.549%0.48729%0.288SS..EExtended strand (participates in β ladder)trans-127.9135.3176-51.9-170.9-167.2134.80110.8E54 I105E54-K107 HydrophobicContact CB-CB 3.96Å; E54-K107 HydrophobicContact CB-CG 4.26Å; E54-K107 VanDerWaalsContact CD-NZ 3.32Å; E54-K107 HydrophobicContact CG-CB 4.36Å; E54-K107 PolarHBondContact N-O 3.46Å; E54-K107 PolarHBondContact O-N 3.5Å; E54-K107 IonicContact OE1-NZ 3.1Å; E54-K107 PolarHBondContact OE1-NZ 3.46Å; E54-K107 VanDerWaalsContact OE1-NZ 3.1Å; E54-K107 VanDerWaalsContact OE2-CD 3.23Å; E54-K107 WeakPolarHBondContact OE2-CD 3.47Å; E54-K107 WeakPolarHBondContact OE2-CE 3.38Å; E54-K107 IonicContact OE2-NZ 2.76Å; E54-K107 PolarHBondContact OE2-NZ 2.68Å; I105-K107 WeakPolarHBondContact CG2-O 3.43Å
108L95.6Very high95.7Very high24 Ų2454.9 Ų54.913%0.12627%0.271CS..  trans-96.3132179.1-68.9165.9000110.3L34 L38 Y42 M47 I105 L110 L118L34-L108 HydrophobicContact CD1-CD1 4.35Å; L34-L108 HydrophobicContact CD2-CD1 4.17Å; L34-L108 HydrophobicContact CD2-CD2 3.89Å; L34-L108 HydrophobicContact CD2-CG 4.34Å; L38-L108 HydrophobicContact CD1-CD1 4.01Å; L38-L108 HydrophobicContact CD1-CG 3.87Å; L38-L108 HydrophobicContact CD2-CD1 4.48Å; Y42-L108 HydrophobicContact CD2-CD1 4.11Å; Y42-L108 HydrophobicContact CE2-CD1 3.94Å; M47-L108 HydrophobicContact CB-CD2 4.42Å; I105-L108 HydrophobicContact CB-CD2 4.49Å; I105-L108 HydrophobicContact CD1-CD2 4.09Å; I105-L108 HydrophobicContact CG2-CD2 3.66Å; I105-L108 HydrophobicContact CG2-CG 4.11Å; L108-L110 HydrophobicContact CB-CD2 4.12Å; L108-L110 HydrophobicContact CB-CG 4.46Å; L108-L110 PolarHBondContact O-N 2.79Å; L108-L118 HydrophobicContact CD1-CD1 4.34Å
109K94.9Very high95.7Very high86 Ų8659.8 Ų59.837%0.37429%0.293SS..  trans-76.2103161.9175.5165.2173.9168.70109.2D52 D53 R114D52-K109 HydrophobicContact CB-CB 4.48Å; D52-K109 HydrophobicContact CB-CD 3.54Å; D52-K109 IonicContact OD2-NZ 2.68Å; D52-K109 PolarHBondContact OD2-NZ 2.8Å; D53-K109 PolarHBondContact OD1-N 2.85Å; K109-R114 WeakPolarHBondContact O-CD 3.16Å
110L94.5Very high95.7Very high66 Ų6665.1 Ų65.135%0.34631%0.309SS..  trans-83.4126.8-179.5-62.8174.3000111.3Y42 L108 L118Y42-L110 WeakPolarHBondContact OH-CD1 3.38Å; L108-L110 HydrophobicContact CB-CD2 4.12Å; L108-L110 HydrophobicContact CB-CG 4.46Å; L108-L110 PolarHBondContact O-N 2.79Å; L110-L118 HydrophobicContact CD2-CD1 3.77Å
111D94.5Very high95.6Very high37 Ų3768.2 Ų68.220%0.19832%0.322CS..  trans-122.617516658.629.3000108.9R50 D113 R114 R115R50-D111 IonicContact CZ-OD2 3.17Å; R50-D111 IonicContact NE-OD2 3.56Å; R50-D111 IonicContact NH1-OD2 2.79Å; R50-D111 PolarHBondContact NH1-OD2 2.83Å; R50-D111 IonicContact NH2-OD2 3.85Å; D111-D113 VanDerWaalsContact C-N 3.31Å; D111-D113 PolarHBondContact O-N 3.47Å; D111-D113 PolarHBondContact OD1-N 2.8Å; D111-R114 PolarHBondContact O-N 3.02Å; D111-R114 WeakPolarHBondContact OD1-CA 3.35Å; D111-R114 WeakPolarHBondContact OD1-CB 3.31Å; D111-R114 PolarHBondContact OD1-N 3.37Å; D111-R115 PolarHBondContact O-N 3.33Å; D111-R115 VanDerWaalsContact O-N 3.07Å
112K96.4Very high95.6Very high152 Ų15265.8 Ų65.866%0.66131%0.306SS*.Hα-helixtrans-54.3-47.7179.4-177179.5178.9178.90111.5R114 R115 N116K112-R114 PolarHBondContact O-N 3.39Å; K112-R115 PolarHBondContact O-N 2.91Å; K112-N116 PolarHBondContact O-N 3.23Å; K112-N116 VanDerWaalsContact O-N 3.12Å; K112-N116 PolarHBondContact O-ND2 2.91Å; K112-N116 PolarHBondContact O-OD1 2.94Å
113D95.2Very high95.5Very high106 Ų10665.6 Ų65.657%0.56731%0.314SS*.Hα-helixtrans-69.1-36.3-176.6-64.4-34.9000113D111 N116 I117D111-D113 VanDerWaalsContact C-N 3.31Å; D111-D113 PolarHBondContact O-N 3.47Å; D111-D113 PolarHBondContact OD1-N 2.8Å; D113-N116 PolarHBondContact O-N 3.42Å; D113-I117 VanDerWaalsContact O-CG1 3.22Å; D113-I117 WeakPolarHBondContact O-CG1 3.41Å; D113-I117 PolarHBondContact O-N 3.42Å
114R94.5Very high95.4Very high14 Ų1467.4 Ų67.45%0.05333%0.332CS..Hα-helixtrans-71.5-35.3179.7-164.8179.4-171.381.5-12.4110.8M47 P48 D53 K109 D111 K112 I117 L118M47-R114 HydrophobicContact CE-CG 3.57Å; P48-R114 PolarHBondContact O-NH1 2.89Å; P48-R114 PolarHBondContact O-NH2 3.29Å; P48-R114 VanDerWaalsContact O-NH2 3.15Å; D53-R114 IonicContact OD1-CZ 2.77Å; D53-R114 IonicContact OD1-NE 3.65Å; D53-R114 IonicContact OD1-NH2 3.98Å; D53-R114 PolarHBondContact OD1-NH2 3.45Å; D53-R114 IonicContact OD2-CZ 3.46Å; D53-R114 IonicContact OD2-NH2 3.32Å; D53-R114 PolarHBondContact OD2-NH2 2.81Å; K109-R114 WeakPolarHBondContact O-CD 3.16Å; D111-R114 PolarHBondContact O-N 3.02Å; D111-R114 WeakPolarHBondContact OD1-CA 3.35Å; D111-R114 WeakPolarHBondContact OD1-CB 3.31Å; D111-R114 PolarHBondContact OD1-N 3.37Å; K112-R114 PolarHBondContact O-N 3.39Å; R114-I117 PolarHBondContact O-N 3.21Å; R114-L118 VanDerWaalsContact O-CG 3.32Å; R114-L118 WeakPolarHBondContact O-CG 3.1Å; R114-L118 PolarHBondContact O-N 2.99Å
115R95.4Very high95.1Very high120 Ų12071 Ų7145%0.45334%0.344SS..Hα-helixtrans-59.9-51.2168.9-73.8-171.1-71.1-103.84.8110.9D111 K112 I117 L118 E119D111-R115 PolarHBondContact O-N 3.33Å; D111-R115 VanDerWaalsContact O-N 3.07Å; K112-R115 PolarHBondContact O-N 2.91Å; R115-I117 VanDerWaalsContact C-N 3.27Å; R115-I117 PolarHBondContact O-N 3.27Å; R115-L118 WeakPolarHBondContact O-CB 3.41Å; R115-L118 PolarHBondContact O-N 2.95Å; R115-E119 PolarHBondContact O-N 2.92Å
116N96Very high94.8Very high76 Ų7673 Ų7341%0.40636%0.361SS..Hα-helixtrans-57.1-38.4176.7-61.8-9.2000112.6K112 D113 R120K112-N116 PolarHBondContact O-N 3.23Å; K112-N116 VanDerWaalsContact O-N 3.12Å; K112-N116 PolarHBondContact O-ND2 2.91Å; K112-N116 PolarHBondContact O-OD1 2.94Å; D113-N116 PolarHBondContact O-N 3.42Å; N116-R120 WeakPolarHBondContact O-CB 3.28Å; N116-R120 PolarHBondContact O-N 3.03Å; N116-R120 VanDerWaalsContact O-N 3.08Å
117I95.4Very high94.5Very high38 Ų3873.4 Ų73.420%0.19537%0.37CS..Hα-helixtrans-67.3-41.2176.2-69.3163.5000111.5M47 D113 R114 R115 K121M47-I117 HydrophobicContact CE-CB 4.33Å; M47-I117 HydrophobicContact CE-CG2 3.84Å; M47-I117 HydrophobicContact SD-CG2 3.99Å; D113-I117 VanDerWaalsContact O-CG1 3.22Å; D113-I117 WeakPolarHBondContact O-CG1 3.41Å; D113-I117 PolarHBondContact O-N 3.42Å; R114-I117 PolarHBondContact O-N 3.21Å; R115-I117 VanDerWaalsContact C-N 3.27Å; R115-I117 PolarHBondContact O-N 3.27Å; I117-K121 HydrophobicContact CG2-CD 4.25Å; I117-K121 WeakPolarHBondContact O-CB 3.47Å; I117-K121 WeakPolarHBondContact O-CG 3.38Å; I117-K121 PolarHBondContact O-N 3.29Å
118L95.6Very high94.2Very high6 Ų671.8 Ų71.83%0.03137%0.369CS..Hα-helixtrans-64-50.5178.5-75.1167.3000110.6Y42 V44 M47 L108 L110 R114 R115 R120 K121 A122Y42-L118 HydrophobicContact CD1-CD1 4.04Å; Y42-L118 HydrophobicContact CD2-CD1 4.45Å; Y42-L118 HydrophobicContact CE1-CD1 4.2Å; Y42-L118 HydrophobicContact CG-CD1 4.19Å; Y42-L118 HydrophobicContact CG-CD2 4.29Å; V44-L118 HydrophobicContact CB-CD2 4.24Å; V44-L118 HydrophobicContact CG1-CD2 4.46Å; V44-L118 HydrophobicContact CG2-CD2 4.2Å; M47-L118 HydrophobicContact CE-CD2 3.78Å; M47-L118 HydrophobicContact CE-CG 3.78Å; M47-L118 HydrophobicContact CG-CD2 3.76Å; M47-L118 HydrophobicContact SD-CD2 3.59Å; M47-L118 VanDerWaalsContact SD-CD2 3.59Å; M47-L118 HydrophobicContact SD-CG 4.19Å; L108-L118 HydrophobicContact CD1-CD1 4.34Å; L110-L118 HydrophobicContact CD2-CD1 3.77Å; R114-L118 VanDerWaalsContact O-CG 3.32Å; R114-L118 WeakPolarHBondContact O-CG 3.1Å; R114-L118 PolarHBondContact O-N 2.99Å; R115-L118 WeakPolarHBondContact O-CB 3.41Å; R115-L118 PolarHBondContact O-N 2.95Å; L118-R120 PolarHBondContact O-N 3.18Å; L118-K121 PolarHBondContact O-N 3.35Å; L118-K121 VanDerWaalsContact O-N 3.17Å; L118-A122 WeakPolarHBondContact O-CB 3.34Å; L118-A122 PolarHBondContact O-N 3.35Å
119E95.2Very high93.8Very high123 Ų12373.7 Ų73.758%0.57538%0.379SS*.Hα-helixtrans-56.4-50.2177.7-72165.2-16300111.5R115 K121 A122 A123R115-E119 PolarHBondContact O-N 2.92Å; E119-K121 VanDerWaalsContact C-N 3.33Å; E119-K121 PolarHBondContact O-N 2.83Å; E119-A122 PolarHBondContact O-N 2.81Å; E119-A123 WeakPolarHBondContact O-CB 3.43Å; E119-A123 PolarHBondContact O-N 3.11Å
120R96.1Very high93.5Very high175 Ų17575 Ų7566%0.6639%0.387SS*.Hα-helixtrans-59.9-41177.4-177.2-178.760-167.8-10.3112.6N116 L118 G124N116-R120 WeakPolarHBondContact O-CB 3.28Å; N116-R120 PolarHBondContact O-N 3.03Å; N116-R120 VanDerWaalsContact O-N 3.08Å; L118-R120 PolarHBondContact O-N 3.18Å; R120-G124 PolarHBondContact O-N 3.33Å
121K94.9Very high93.1Very high70 Ų7079.6 Ų79.630%0.30440%0.404SS..Hα-helixtrans-69.9-38.9178.5-80.8-174.9170.6-1750111.8V44 S46 M47 I117 L118 E119 G124 R125V44-K121 HydrophobicContact CG1-CB 4.2Å; V44-K121 HydrophobicContact CG1-CD 3.75Å; V44-K121 HydrophobicContact CG2-CB 3.6Å; S46-K121 PolarHBondContact O-NZ 2.99Å; M47-K121 HydrophobicContact SD-CD 4.1Å; I117-K121 HydrophobicContact CG2-CD 4.25Å; I117-K121 WeakPolarHBondContact O-CB 3.47Å; I117-K121 WeakPolarHBondContact O-CG 3.38Å; I117-K121 PolarHBondContact O-N 3.29Å; L118-K121 PolarHBondContact O-N 3.35Å; L118-K121 VanDerWaalsContact O-N 3.17Å; E119-K121 VanDerWaalsContact C-N 3.33Å; E119-K121 PolarHBondContact O-N 2.83Å; K121-G124 PolarHBondContact O-N 3.48Å; K121-R125 PolarHBondContact O-N 2.83Å
122A94.6Very high92.4Very high23 Ų2382.9 Ų82.919%0.1942%0.418CS..Hα-helixtrans-64.2-48.6177.300000110.8Y42 V44 L118 E119 G124 R125 A126Y42-A122 WeakPolarHBondContact O-CB 3.34Å; V44-A122 HydrophobicContact CG2-CB 4.28Å; L118-A122 WeakPolarHBondContact O-CB 3.34Å; L118-A122 PolarHBondContact O-N 3.35Å; E119-A122 PolarHBondContact O-N 2.81Å; A122-G124 VanDerWaalsContact C-N 3.34Å; A122-G124 PolarHBondContact O-N 3.15Å; A122-R125 PolarHBondContact O-N 3.19Å; A122-R125 VanDerWaalsContact O-N 3.14Å; A122-A126 PolarHBondContact O-N 3.11Å
123A94.2Very high91.1Very high63 Ų6382 Ų8252%0.52142%0.415SS..Hα-helixtrans-58.6-44.817500000111.9E119 R125 A126 A127E119-A123 WeakPolarHBondContact O-CB 3.43Å; E119-A123 PolarHBondContact O-N 3.11Å; A123-R125 VanDerWaalsContact C-N 3.32Å; A123-R125 PolarHBondContact O-N 3.21Å; A123-A126 PolarHBondContact O-N 3.35Å; A123-A127 PolarHBondContact O-N 3.2Å
124G93.4Very high89Confident39 Ų3980.4 Ų80.440%0.40242%0.422SS..Hα-helixtrans-61.6-36.7175.900000113.4R120 K121 A122 V128R120-G124 PolarHBondContact O-N 3.33Å; K121-G124 PolarHBondContact O-N 3.48Å; A122-G124 VanDerWaalsContact C-N 3.34Å; A122-G124 PolarHBondContact O-N 3.15Å; G124-V128 WeakPolarHBondContact O-CG2 3.17Å; G124-V128 PolarHBondContact O-N 2.99Å
125R90.6Very high86.8Confident117 Ų11786.9 Ų86.944%0.44245%0.451SS..Hα-helixtrans-69.7-44.3174.9-178.3178.9171.673.92111.6N43 K121 A122 A123 A127 V128 L129N43-R125 WeakPolarHBondContact O-CD 3.32Å; N43-R125 WeakPolarHBondContact OD1-CD 3.44Å; N43-R125 PolarHBondContact OD1-NE 3.18Å; K121-R125 PolarHBondContact O-N 2.83Å; A122-R125 PolarHBondContact O-N 3.19Å; A122-R125 VanDerWaalsContact O-N 3.14Å; A123-R125 VanDerWaalsContact C-N 3.32Å; A123-R125 PolarHBondContact O-N 3.21Å; R125-A127 PolarHBondContact O-N 3.38Å; R125-V128 PolarHBondContact O-N 2.97Å; R125-L129 HydrophobicContact CG-CD1 4.06Å; R125-L129 HydrophobicContact CG-CG 4.42Å; R125-L129 WeakPolarHBondContact O-CG 3.45Å; R125-L129 PolarHBondContact O-N 3.25Å
126A90.5Very high84.6Confident43 Ų4388 Ų8836%0.35546%0.461SS..Hα-helixtrans-58.2-47.7177.600000111.3A122 A123 V128 L129 E130A122-A126 PolarHBondContact O-N 3.11Å; A123-A126 PolarHBondContact O-N 3.35Å; A126-V128 VanDerWaalsContact C-N 3.27Å; A126-V128 PolarHBondContact O-N 3.29Å; A126-L129 PolarHBondContact O-N 3.39Å; A126-L129 VanDerWaalsContact O-N 3.09Å; A126-E130 WeakPolarHBondContact O-CG 3.38Å; A126-E130 PolarHBondContact O-N 3.41Å
127A91.6Very high82.2Confident52 Ų5286.3 Ų86.343%0.4346%0.458SS..Hα-helixtrans-60.3-33.4177.400000113.7A123 R125 K131A123-A127 PolarHBondContact O-N 3.2Å; R125-A127 PolarHBondContact O-N 3.38Å; A127-K131 WeakPolarHBondContact O-CG 3.5Å; A127-K131 PolarHBondContact O-N 2.88Å
128V89.8Confident80.2Confident77 Ų7792.9 Ų92.947%0.46749%0.488SS..Hα-helixtrans-73.6-40.2175.1172.30000111.2G124 R125 A126 K131 Q132G124-V128 WeakPolarHBondContact O-CG2 3.17Å; G124-V128 PolarHBondContact O-N 2.99Å; R125-V128 PolarHBondContact O-N 2.97Å; A126-V128 VanDerWaalsContact C-N 3.27Å; A126-V128 PolarHBondContact O-N 3.29Å; V128-K131 PolarHBondContact O-N 3.33Å; V128-Q132 HydrophobicContact CG1-CG 4.37Å; V128-Q132 WeakPolarHBondContact O-CG 3.1Å; V128-Q132 PolarHBondContact O-N 3.23Å
129L87.3Confident78.1Confident64 Ų64100.3 Ų100.334%0.33552%0.522SS..Hα-helixtrans-62.6-43.7177.5-71.8170.4000111.3R125 A126 K131 Q132 K133R125-L129 HydrophobicContact CG-CD1 4.06Å; R125-L129 HydrophobicContact CG-CG 4.42Å; R125-L129 WeakPolarHBondContact O-CG 3.45Å; R125-L129 PolarHBondContact O-N 3.25Å; A126-L129 PolarHBondContact O-N 3.39Å; A126-L129 VanDerWaalsContact O-N 3.09Å; L129-K131 VanDerWaalsContact C-N 3.32Å; L129-K131 PolarHBondContact O-N 3.03Å; L129-Q132 PolarHBondContact O-N 3Å; L129-Q132 VanDerWaalsContact O-N 3.08Å; L129-K133 WeakPolarHBondContact O-CG 3.3Å; L129-K133 PolarHBondContact O-N 3.42Å
130E87.9Confident75.9Confident115 Ų11596.7 Ų96.754%0.53751%0.51SS..Hα-helixtrans-59.5-41.4175.4-67.8-52.6127.400112.1A126 Q132 K133A126-E130 WeakPolarHBondContact O-CG 3.38Å; A126-E130 PolarHBondContact O-N 3.41Å; E130-Q132 VanDerWaalsContact C-N 3.29Å; E130-Q132 PolarHBondContact O-N 3.02Å; E130-K133 IonicContact OE1-NZ 2.77Å; E130-K133 PolarHBondContact OE1-NZ 3.37Å; E130-K133 IonicContact OE2-NZ 3.74Å
131K87.1Confident74.1Confident162 Ų16292.3 Ų92.370%0.70450%0.499SS*.Hα-helixtrans-69-24.4175.6-71179.3-177.9-171.80114A127 V128 L129A127-K131 WeakPolarHBondContact O-CG 3.5Å; A127-K131 PolarHBondContact O-N 2.88Å; V128-K131 PolarHBondContact O-N 3.33Å; L129-K131 VanDerWaalsContact C-N 3.32Å; L129-K131 PolarHBondContact O-N 3.03Å
132Q79.5Confident72.4Confident105 Ų10591.5 Ų91.549%0.49151%0.505SS..Hα-helixtrans-87.6-30.1-179.6-76.7-179.7-12.900112.6V128 L129 E130 G134 K135V128-Q132 HydrophobicContact CG1-CG 4.37Å; V128-Q132 WeakPolarHBondContact O-CG 3.1Å; V128-Q132 PolarHBondContact O-N 3.23Å; L129-Q132 PolarHBondContact O-N 3Å; L129-Q132 VanDerWaalsContact O-N 3.08Å; E130-Q132 VanDerWaalsContact C-N 3.29Å; E130-Q132 PolarHBondContact O-N 3.02Å; Q132-G134 PolarHBondContact O-N 3.14Å; Q132-G134 VanDerWaalsContact O-N 3.15Å; Q132-K135 PolarHBondContact O-N 3.46Å
133K68.8Low70.6Confident135 Ų13597.9 Ų97.959%0.58753%0.533SS*.Hα-helixtrans-53.3-33.9175.9-78.5175.5178.4171.60112.5L129 E130 K135L129-K133 WeakPolarHBondContact O-CG 3.3Å; L129-K133 PolarHBondContact O-N 3.42Å; E130-K133 IonicContact OE1-NZ 2.77Å; E130-K133 PolarHBondContact OE1-NZ 3.37Å; E130-K133 IonicContact OE2-NZ 3.74Å; K133-K135 VanDerWaalsContact C-N 3.34Å; K133-K135 PolarHBondContact O-N 3Å
134G51.7Low68.9Low71 Ų71103.3 Ų103.373%0.73255%0.548SS*.THydrogen-bonded Turntrans-80.2-1.3176.400000116.3Q132Q132-G134 PolarHBondContact O-N 3.14Å; Q132-G134 VanDerWaalsContact O-N 3.15Å
135K48.2Very low67.6Low151 Ų151107 Ų10766%0.65756%0.563SS**THydrogen-bonded Turntrans-109.8-16.2-176.2-65.9-170.6177.6-166.20114.4Q132 K133Q132-K135 PolarHBondContact O-N 3.46Å; K133-K135 VanDerWaalsContact C-N 3.34Å; K133-K135 PolarHBondContact O-N 3Å
136H48.6Very low65.8Low142 Ų142109 Ų10966%0.65759%0.594SS**  trans-145.742.6-176.9-59.2-59.6000111.5I141H136-I141 HydrophobicContact CB-CD1 4.45Å
137A46.1Very low64.5Low41 Ų41112.3 Ų112.334%0.33961%0.606SS.*  trans-67.8138.5163.900000107.6E139 S140 I141A137-E139 PolarHBondContact O-N 3.07Å; A137-S140 PolarHBondContact O-N 2.91Å; A137-S140 PolarHBondContact O-OG 3Å; A137-I141 PolarHBondContact O-N 3.25Å
138E52.3Low63.1Low176 Ų176115.4 Ų115.482%0.82262%0.616SS**Hα-helixtrans-55.6-27.4-179.9-68.1176.4164.800111.7I141 A142E138-I141 PolarHBondContact O-N 3.32Å; E138-A142 PolarHBondContact O-N 2.94Å; E138-A142 VanDerWaalsContact O-N 3.11Å
139E51.7Low61.6Low162 Ų162117.6 Ų117.676%0.75762%0.624SS**Hα-helixtrans-63.3-38.6172.9-67.6176.6165.100113.8A137 M143A137-E139 PolarHBondContact O-N 3.07Å; E139-M143 PolarHBondContact O-N 2.95Å
140S50Low60.1Low47 Ų47120.7 Ų120.733%0.32964%0.641SS.*Hα-helixtrans-76.9-27.917963.70000112.5A137 E144A137-S140 PolarHBondContact O-N 2.91Å; A137-S140 PolarHBondContact O-OG 3Å; S140-E144 PolarHBondContact O-N 3.43Å
141I57.4Low58.4Low84 Ų84121.1 Ų121.143%0.43165%0.647SS.*Hα-helixtrans-74.8-35.8177.3-62167.5000110.2H136 A137 E138 T145H136-I141 HydrophobicContact CB-CD1 4.45Å; A137-I141 PolarHBondContact O-N 3.25Å; E138-I141 PolarHBondContact O-N 3.32Å; I141-T145 PolarHBondContact O-OG1 2.77Å
142A58.6Low56.5Low52 Ų52118.3 Ų118.343%0.4364%0.643SS.*Hα-helixtrans-68.5-31.6175.300000113.5E138 T145 S146E138-A142 PolarHBondContact O-N 2.94Å; E138-A142 VanDerWaalsContact O-N 3.11Å; A142-T145 PolarHBondContact O-OG1 2.92Å; A142-S146 PolarHBondContact O-OG 2.89Å; A142-S146 VanDerWaalsContact O-OG 3.07Å
143M57.9Low54.8Low158 Ų158119.3 Ų119.378%0.77865%0.654SS**Hα-helixtrans-76.5-25.1176.8-75.7-174.6112.900114.3E139E139-M143 PolarHBondContact O-N 2.95Å
144E58.9Low53.8Low177 Ų177118.1 Ų118.183%0.82766%0.66SS**Hα-helixtrans-83.3-14.7176.8-76-173.9167.700113.2S140S140-E144 PolarHBondContact O-N 3.43Å
145T64.9Low54Low117 Ų117122 Ų12272%0.71865%0.654SS**  trans-104.85-178.556.60000114.6I141 A142I141-T145 PolarHBondContact O-OG1 2.77Å; A142-T145 PolarHBondContact O-OG1 2.92Å
146S52.8Low54.5Low157 Ų157119.4 Ų119.4100%1.09865%0.653SS**  trans-111.10174.2-51.70000110.1A142A142-S146 PolarHBondContact O-OG 2.89Å; A142-S146 VanDerWaalsContact O-OG 3.07Å

Retrieved 146 of 146 residues in 268.8 ms (Link to these results)

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