A0A087X490_POEFO Loading...

Ribosomal protein L26

AlphaFold DB , UniProt , Accession A0A087X490, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 145 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
1M85.4Confident95Very high223 Ų223118.1 Ų118.1100%1.09961%0.607SS**  0146.60-161.169155.100109.4L3M1-L3 PolarHBondContact O-N 2.7Å
2K91.8Very high95.3Very high100 Ų100126.3 Ų126.344%0.43562%0.624SS.*  trans-77.9114.4174.5-179.7-134.278.4170.30109N4 V7K2-N4 WeakPolarHBondContact CE-O 3.11Å; K2-N4 PolarHBondContact NZ-O 3.26Å; K2-N4 VanDerWaalsContact NZ-O 3.13Å; K2-V7 HydrophobicContact CD-CG2 3.81Å; K2-V7 WeakPolarHBondContact CD-O 3.14Å; K2-V7 WeakPolarHBondContact CE-O 3.47Å; K2-V7 HydrophobicContact CG-CG2 4.09Å; K2-V7 PolarHBondContact NZ-O 2.92Å
3L96Very high95.5Very high160 Ų160126.2 Ų126.284%0.83862%0.618SS**  trans-90.3-31.3-173.6-59.3177.5000114.3M1 P5M1-L3 PolarHBondContact O-N 2.7Å; L3-P5 WeakPolarHBondContact O-CD 3.5Å
4N96.4Very high95.7Very high80 Ų80122.1 Ų122.143%0.42860%0.601SS.*  trans-70.1122-176176.4-17000111.5K2 F6 V7K2-N4 WeakPolarHBondContact CE-O 3.11Å; K2-N4 PolarHBondContact NZ-O 3.26Å; K2-N4 VanDerWaalsContact NZ-O 3.13Å; N4-F6 PolarHBondContact O-N 3.2Å; N4-F6 PolarHBondContact OD1-N 3.2Å; N4-V7 HydrophobicContact CB-CG2 3.65Å; N4-V7 VanDerWaalsContact O-CG2 3.23Å; N4-V7 WeakPolarHBondContact O-CG2 3.28Å
5P95.8Very high95.8Very high102 Ų102122.7 Ų122.766%0.66259%0.594SS**THydrogen-bonded Turntrans-70.9-27.6-175.627.9-34.4000113.5L3 V7L3-P5 WeakPolarHBondContact O-CD 3.5Å; P5-V7 VanDerWaalsContact C-N 3.33Å; P5-V7 PolarHBondContact O-N 3.48Å
6F96.8Very high96Very high188 Ų188124.3 Ų124.383%0.82560%0.597SS**THydrogen-bonded Turntrans-79.4-12.3-174.7-57.5-70.9000114.2N4N4-F6 PolarHBondContact O-N 3.2Å; N4-F6 PolarHBondContact OD1-N 3.2Å
7V95.8Very high96.1Very high67 Ų67126.4 Ų126.441%0.40660%0.597SS.*SBendtrans-100.5132.3177.3-73.20000111.1K2 N4 P5K2-V7 HydrophobicContact CD-CG2 3.81Å; K2-V7 WeakPolarHBondContact CD-O 3.14Å; K2-V7 WeakPolarHBondContact CE-O 3.47Å; K2-V7 HydrophobicContact CG-CG2 4.09Å; K2-V7 PolarHBondContact NZ-O 2.92Å; N4-V7 HydrophobicContact CB-CG2 3.65Å; N4-V7 VanDerWaalsContact O-CG2 3.23Å; N4-V7 WeakPolarHBondContact O-CG2 3.28Å; P5-V7 VanDerWaalsContact C-N 3.33Å; P5-V7 PolarHBondContact O-N 3.48Å
8T95.9Very high96.1Very high33 Ų33122.8 Ų122.820%0.20258%0.58CS.*  trans-84.3137.3-175.6176.20000112.9S10 K13 N14T8-S10 WeakPolarHBondContact OG1-CB 3.2Å; T8-S10 PolarHBondContact OG1-N 3.17Å; T8-S10 VanDerWaalsContact OG1-N 3.08Å; T8-K13 HydrophobicContact CG2-CB 3.92Å; T8-K13 HydrophobicContact CG2-CD 4.4Å; T8-N14 PolarHBondContact O-ND2 3.07Å
9S95.9Very high96.2Very high98 Ų98121.9 Ų121.969%0.68557%0.574SS**  trans-93.2-10.9166.449.50000113R11S9-R11 PolarHBondContact O-N 2.76Å
10S97.6Very high96.3Very high50 Ų50121.5 Ų121.535%0.3558%0.575SS.*  trans-58.6122.8-178.4176.80000112.7T8 R12 K13 N14T8-S10 WeakPolarHBondContact OG1-CB 3.2Å; T8-S10 PolarHBondContact OG1-N 3.17Å; T8-S10 VanDerWaalsContact OG1-N 3.08Å; S10-R12 VanDerWaalsContact C-N 3.31Å; S10-R12 PolarHBondContact O-N 3.23Å; S10-K13 PolarHBondContact O-N 3.4Å; S10-N14 PolarHBondContact O-N 3.26Å; S10-N14 PolarHBondContact O-ND2 3.1Å
11R97.9Very high96.3Very high198 Ų198116 Ų11675%0.74755%0.55SS**Hα-helixtrans-54.2-44.1175.8-179178178.2141.7-2.8112.1S9 N14 R15S9-R11 PolarHBondContact O-N 2.76Å; R11-N14 PolarHBondContact O-N 2.87Å; R11-R15 WeakPolarHBondContact O-CB 3.42Å; R11-R15 WeakPolarHBondContact O-CG 3.36Å; R11-R15 PolarHBondContact O-N 3.46Å
12R98.1Very high96.9Very high216 Ų216108.4 Ų108.482%0.81552%0.517SS*.Hα-helixtrans-61.3-50.3-179.3-175.1179.2179.5-1690.5111.3S10 N14 R15 K16S10-R12 VanDerWaalsContact C-N 3.31Å; S10-R12 PolarHBondContact O-N 3.23Å; R12-N14 PolarHBondContact O-N 3.08Å; R12-R15 PolarHBondContact O-N 3.45Å; R12-K16 PolarHBondContact O-N 2.93Å
13K98Very high97.2Very high126 Ų126106.8 Ų106.855%0.54852%0.519SS..Hα-helixtrans-63.7-42.7-179.6-67.3-176178178.70111.5T8 S10 K16 R17T8-K13 HydrophobicContact CG2-CB 3.92Å; T8-K13 HydrophobicContact CG2-CD 4.4Å; S10-K13 PolarHBondContact O-N 3.4Å; K13-K16 PolarHBondContact O-N 2.96Å; K13-R17 WeakPolarHBondContact O-CG 3.48Å; K13-R17 PolarHBondContact O-N 3.26Å
14N97.9Very high97.3Very high69 Ų69104.8 Ų104.837%0.36951%0.505SS..Hα-helixtrans-66.3-41.7180-74.5-30000112.8T8 S10 R11 R12 R17 H18T8-N14 PolarHBondContact O-ND2 3.07Å; S10-N14 PolarHBondContact O-N 3.26Å; S10-N14 PolarHBondContact O-ND2 3.1Å; R11-N14 PolarHBondContact O-N 2.87Å; R12-N14 PolarHBondContact O-N 3.08Å; N14-R17 PolarHBondContact O-N 3.3Å; N14-H18 WeakPolarHBondContact O-CB 3.43Å; N14-H18 PolarHBondContact O-N 2.85Å
15R98.1Very high97.3Very high131 Ų131104 Ų10449%0.49450%0.5SS..Hα-helixtrans-63.9-44.4174.8-71.7175.26377.6-1.7112.1R11 R12 R17 H18 F19R11-R15 WeakPolarHBondContact O-CB 3.42Å; R11-R15 WeakPolarHBondContact O-CG 3.36Å; R11-R15 PolarHBondContact O-N 3.46Å; R12-R15 PolarHBondContact O-N 3.45Å; R15-R17 PolarHBondContact O-N 3.06Å; R15-H18 PolarHBondContact O-N 3.41Å; R15-F19 HydrophobicContact CB-CD2 4.43Å; R15-F19 HydrophobicContact CB-CE2 4.37Å; R15-F19 WeakPolarHBondContact O-CD2 3.45Å; R15-F19 PolarHBondContact O-N 3Å
16K98.1Very high97.4Very high148 Ų148101.1 Ų101.164%0.64348%0.476SS*.Hα-helixtrans-58.7-47.4176.2-173175.6-179.4177.80111R12 K13 H18 N20R12-K16 PolarHBondContact O-N 2.93Å; K13-K16 PolarHBondContact O-N 2.96Å; K16-H18 VanDerWaalsContact C-N 3.32Å; K16-H18 PolarHBondContact O-N 3.21Å; K16-N20 VanDerWaalsContact O-CB 3.28Å; K16-N20 WeakPolarHBondContact O-CB 3.49Å; K16-N20 PolarHBondContact O-N 3.42Å
17R97.9Very high97.5Very high160 Ų16095.6 Ų95.660%0.60445%0.45SS*.Hα-helixtrans-61.4-37.3176.4-73.8177.3179.6-175.5-1.6112.9K13 N14 R15 A21K13-R17 WeakPolarHBondContact O-CG 3.48Å; K13-R17 PolarHBondContact O-N 3.26Å; N14-R17 PolarHBondContact O-N 3.3Å; R15-R17 PolarHBondContact O-N 3.06Å; R17-A21 WeakPolarHBondContact O-CB 3.38Å; R17-A21 PolarHBondContact O-N 3.5Å
18H97.3Very high97.5Very high62 Ų6298.8 Ų98.829%0.28746%0.458SS..Hα-helixtrans-66.6-60.5177.4-177.8-86.8000111.3N14 R15 K16 N20 A21 Y78N14-H18 WeakPolarHBondContact O-CB 3.43Å; N14-H18 PolarHBondContact O-N 2.85Å; R15-H18 PolarHBondContact O-N 3.41Å; K16-H18 VanDerWaalsContact C-N 3.32Å; K16-H18 PolarHBondContact O-N 3.21Å; H18-N20 VanDerWaalsContact C-N 3.29Å; H18-N20 PolarHBondContact O-N 3.06Å; H18-A21 WeakPolarHBondContact O-CB 3.43Å; H18-A21 PolarHBondContact O-N 3.48Å; H18-Y78 AromaticContact CE1-CE1 3.82Å; H18-Y78 AromaticContact CE1-CE2 3.93Å; H18-Y78 AromaticContact CE1-CZ 3.7Å; H18-Y78 AromaticContact NE2-CE1 3.76Å; H18-Y78 AromaticContact NE2-CZ 3.98Å; H18-Y78 PolarHBondContact O-OH 3.38Å
19F97.2Very high97.6Very high105 Ų105100.2 Ų100.246%0.46146%0.464SS..Hα-helixtrans-68.7-26.9-173-65.9-64000113.8R15 R26R15-F19 HydrophobicContact CB-CD2 4.43Å; R15-F19 HydrophobicContact CB-CE2 4.37Å; R15-F19 WeakPolarHBondContact O-CD2 3.45Å; R15-F19 PolarHBondContact O-N 3Å; F19-R26 PolarHBondContact O-NH2 2.86Å
20N97.4Very high97.7Very high114 Ų11495.6 Ų95.661%0.6143%0.432SS*.THydrogen-bonded Turntrans-98.212.3178.4-59.8-7.5000113K16 H18K16-N20 VanDerWaalsContact O-CB 3.28Å; K16-N20 WeakPolarHBondContact O-CB 3.49Å; K16-N20 PolarHBondContact O-N 3.42Å; H18-N20 VanDerWaalsContact C-N 3.29Å; H18-N20 PolarHBondContact O-N 3.06Å
21A97.6Very high97.7Very high6 Ų694.7 Ų94.75%0.0543%0.425CS..  trans-60.8141.1-179.200000111.9R17 H18 I25 R26 I29R17-A21 WeakPolarHBondContact O-CB 3.38Å; R17-A21 PolarHBondContact O-N 3.5Å; H18-A21 WeakPolarHBondContact O-CB 3.43Å; H18-A21 PolarHBondContact O-N 3.48Å; A21-I25 HydrophobicContact CB-CB 4.21Å; A21-I25 HydrophobicContact CB-CG2 3.99Å; A21-R26 HydrophobicContact CB-CG 3.95Å; A21-R26 WeakPolarHBondContact O-CG 3.46Å; A21-R26 PolarHBondContact O-NE 3.46Å; A21-R26 PolarHBondContact O-NH2 3.17Å; A21-I29 HydrophobicContact CB-CD1 4.19Å
22P98.2Very high97.6Very high63 Ų6385.3 Ų85.341%0.40939%0.39SS..  trans-69.6158.9171.228.5-35.3000111.9H24 I25 R26P22-H24 VanDerWaalsContact C-N 3.32Å; P22-H24 PolarHBondContact O-N 2.91Å; P22-H24 VanDerWaalsContact O-N 3.17Å; P22-I25 HydrophobicContact CG-CB 4.18Å; P22-I25 HydrophobicContact CG-CD1 3.69Å; P22-I25 HydrophobicContact CG-CG1 3.81Å; P22-I25 WeakPolarHBondContact O-CA 3.42Å; P22-I25 WeakPolarHBondContact O-CB 3.29Å; P22-I25 PolarHBondContact O-N 3.5Å; P22-R26 WeakPolarHBondContact O-CG 3.34Å; P22-R26 PolarHBondContact O-N 3.38Å
23S97.4Very high97.6Very high67 Ų6776.6 Ų76.647%0.46936%0.361SS..Hα-helixtrans-55.2-39.4-169.5-1770000114.6I25 R26 R27 R75S23-I25 VanDerWaalsContact C-N 3.32Å; S23-I25 PolarHBondContact O-N 2.94Å; S23-R26 PolarHBondContact O-N 3.29Å; S23-R27 PolarHBondContact O-N 3.46Å; S23-R75 PolarHBondContact OG-NH1 3.25Å
24H97.4Very high97.6Very high117 Ų11770.6 Ų70.654%0.54234%0.335SS..Hα-helixtrans-69.3-29.6179.169-91.9000112.6P22P22-H24 VanDerWaalsContact C-N 3.32Å; P22-H24 PolarHBondContact O-N 2.91Å; P22-H24 VanDerWaalsContact O-N 3.17Å
25I97.8Very high97.5Very high65 Ų6568.1 Ų68.133%0.33332%0.323SS..Hα-helixtrans-75.6-42.6171.6-61.9-173.5000109.7A21 P22 S23 R27 K28 I29A21-I25 HydrophobicContact CB-CB 4.21Å; A21-I25 HydrophobicContact CB-CG2 3.99Å; P22-I25 HydrophobicContact CG-CB 4.18Å; P22-I25 HydrophobicContact CG-CD1 3.69Å; P22-I25 HydrophobicContact CG-CG1 3.81Å; P22-I25 WeakPolarHBondContact O-CA 3.42Å; P22-I25 WeakPolarHBondContact O-CB 3.29Å; P22-I25 PolarHBondContact O-N 3.5Å; S23-I25 VanDerWaalsContact C-N 3.32Å; S23-I25 PolarHBondContact O-N 2.94Å; I25-R27 PolarHBondContact O-N 3.25Å; I25-K28 WeakPolarHBondContact O-CA 3.44Å; I25-K28 WeakPolarHBondContact O-CB 3.47Å; I25-K28 PolarHBondContact O-N 2.94Å; I25-I29 HydrophobicContact CG2-CD1 3.87Å; I25-I29 HydrophobicContact CG2-CG1 4.29Å; I25-I29 WeakPolarHBondContact O-CG1 3.42Å; I25-I29 PolarHBondContact O-N 3.25Å
26R97.9Very high97.5Very high40 Ų4070.7 Ų70.715%0.15134%0.338CS..Hα-helixtrans-55.7-39.2174.6-59.5-160.6-171.3-158.2-1.4111.9F19 A21 P22 S23 K28 I29 M30 R75 K76 Y78F19-R26 PolarHBondContact O-NH2 2.86Å; A21-R26 HydrophobicContact CB-CG 3.95Å; A21-R26 WeakPolarHBondContact O-CG 3.46Å; A21-R26 PolarHBondContact O-NE 3.46Å; A21-R26 PolarHBondContact O-NH2 3.17Å; P22-R26 WeakPolarHBondContact O-CG 3.34Å; P22-R26 PolarHBondContact O-N 3.38Å; S23-R26 PolarHBondContact O-N 3.29Å; R26-K28 VanDerWaalsContact C-N 3.31Å; R26-K28 PolarHBondContact O-N 2.95Å; R26-I29 PolarHBondContact O-N 3.34Å; R26-M30 VanDerWaalsContact O-CB 3.31Å; R26-M30 WeakPolarHBondContact O-CB 3.36Å; R26-M30 VanDerWaalsContact O-CG 3.3Å; R26-M30 WeakPolarHBondContact O-CG 3.48Å; R26-M30 PolarHBondContact O-N 3.21Å; R26-R75 HydrophobicContact CB-CB 4.25Å; R26-R75 WeakPolarHBondContact CD-O 3.25Å; R26-R75 PolarHBondContact NH1-O 2.9Å; R26-R75 VanDerWaalsContact NH1-O 3.08Å; R26-K76 PolarHBondContact NH1-O 3.4Å; R26-Y78 HydrophobicContact CB-CE1 4.4Å; R26-Y78 HydrophobicContact CG-CE1 4.38Å; R26-Y78 WeakPolarHBondContact CG-OH 3.5Å
27R97.3Very high97.3Very high73 Ų7371.1 Ų71.128%0.27534%0.342SS..Hα-helixtrans-55.2-43.8172.4179.7-178.1169.4-104.92.9112.5S23 I25 P48S23-R27 PolarHBondContact O-N 3.46Å; I25-R27 PolarHBondContact O-N 3.25Å; R27-P48 HydrophobicContact CG-CB 4.08Å
28K96.9Very high97.3Very high134 Ų13464.4 Ų64.458%0.58332%0.319SS*.Hα-helixtrans-69.1-42.8178.8-62.3179.3-160.7173.30111.1I25 R26 M30 S31I25-K28 WeakPolarHBondContact O-CA 3.44Å; I25-K28 WeakPolarHBondContact O-CB 3.47Å; I25-K28 PolarHBondContact O-N 2.94Å; R26-K28 VanDerWaalsContact C-N 3.31Å; R26-K28 PolarHBondContact O-N 2.95Å; K28-M30 VanDerWaalsContact C-N 3.32Å; K28-M30 PolarHBondContact O-N 3.01Å; K28-S31 PolarHBondContact O-OG 2.84Å
29I97.1Very high97.2Very high62 Ų6265.4 Ų65.432%0.31832%0.32SS..Hα-helixtrans-61.9-41.7177.7-63.7169.1000110.6A21 I25 R26 S31 Y78A21-I29 HydrophobicContact CB-CD1 4.19Å; I25-I29 HydrophobicContact CG2-CD1 3.87Å; I25-I29 HydrophobicContact CG2-CG1 4.29Å; I25-I29 WeakPolarHBondContact O-CG1 3.42Å; I25-I29 PolarHBondContact O-N 3.25Å; R26-I29 PolarHBondContact O-N 3.34Å; I29-S31 PolarHBondContact O-N 2.84Å; I29-Y78 HydrophobicContact CB-CE1 4.13Å; I29-Y78 HydrophobicContact CD1-CE1 4.39Å; I29-Y78 HydrophobicContact CG2-CD1 4.26Å; I29-Y78 HydrophobicContact CG2-CE1 3.71Å
30M97.6Very high97.1Very high2 Ų268.5 Ų68.51%0.0134%0.336CS..SBendtrans-77.352.9175.6-66.4-176.573.900112.2R26 K28 I49 V73 R75 Y78 I80 P101R26-M30 VanDerWaalsContact O-CB 3.31Å; R26-M30 WeakPolarHBondContact O-CB 3.36Å; R26-M30 VanDerWaalsContact O-CG 3.3Å; R26-M30 WeakPolarHBondContact O-CG 3.48Å; R26-M30 PolarHBondContact O-N 3.21Å; K28-M30 VanDerWaalsContact C-N 3.32Å; K28-M30 PolarHBondContact O-N 3.01Å; M30-I49 PolarHBondContact O-N 3.37Å; M30-V73 HydrophobicContact CE-CG1 3.82Å; M30-V73 HydrophobicContact SD-CG1 4.41Å; M30-R75 HydrophobicContact SD-CB 4.17Å; M30-R75 HydrophobicContact SD-CG 3.93Å; M30-Y78 HydrophobicContact CG-CD1 3.78Å; M30-Y78 HydrophobicContact CG-CE1 4.33Å; M30-Y78 HydrophobicContact SD-CD1 4.24Å; M30-I80 HydrophobicContact CE-CG2 4.09Å; M30-P101 HydrophobicContact CB-CG 3.88Å; M30-P101 HydrophobicContact CE-CG 4.02Å; M30-P101 HydrophobicContact CG-CG 4.05Å
31S97.8Very high97Very high31 Ų3170.4 Ų70.422%0.21734%0.339CS..EExtended strand (participates in β ladder)trans-93142.1170.5-65.50000111K28 I29 M47K28-S31 PolarHBondContact O-OG 2.84Å; I29-S31 PolarHBondContact O-N 2.84Å; S31-M47 WeakPolarHBondContact CA-O 3.5Å
32S97.6Very high96.9Very high0 Ų072.8 Ų72.80%035%0.347CS..EExtended strand (participates in β ladder)trans-113.5146.7176.1-63.60000110.8S46 M47 I49 P101S32-S46 VanDerWaalsContact O-CA 3.27Å; S32-S46 WeakPolarHBondContact O-CA 3.44Å; S32-S46 VanDerWaalsContact O-CB 3.28Å; S32-S46 WeakPolarHBondContact O-CB 3.42Å; S32-M47 PolarHBondContact N-O 2.66Å; S32-M47 PolarHBondContact O-N 3.25Å; S32-I49 WeakPolarHBondContact OG-CD1 3.23Å; S32-P101 WeakPolarHBondContact CB-O 3.37Å; S32-P101 VanDerWaalsContact OG-CB 3.26Å; S32-P101 WeakPolarHBondContact OG-CB 3.31Å; S32-P101 PolarHBondContact OG-O 3.46Å
33P97.8Very high96.7Very high33 Ų3372.1 Ų72.121%0.21434%0.34CS..EExtended strand (participates in β ladder)trans-63.1144.5171.425.3-33.3000111.7V104 V105 I106P33-V104 WeakPolarHBondContact CD-O 3.33Å; P33-V104 WeakPolarHBondContact CG-O 3.4Å; P33-V105 HydrophobicContact CG-CG2 4.02Å; P33-V105 WeakPolarHBondContact O-CA 3.32Å; P33-I106 PolarHBondContact O-N 3.46Å
34L97.4Very high96.6Very high0 Ų069.2 Ų69.20%032%0.319CS..BIsolated β-bridgetrans-81.5155.8169.5-60.2-174.1000110.8L38 R39 V44 R45 M47 I106 L109L34-L38 HydrophobicContact CB-CB 3.98Å; L34-L38 HydrophobicContact CD1-CB 4.32Å; L34-L38 HydrophobicContact CD2-CD1 4.28Å; L34-R39 HydrophobicContact CB-CG 3.88Å; L34-R39 VanDerWaalsContact O-CZ 3.26Å; L34-R39 PolarHBondContact O-NE 3.2Å; L34-R39 PolarHBondContact O-NH2 2.88Å; L34-V44 HydrophobicContact CD1-CB 4.34Å; L34-V44 HydrophobicContact CD1-CG1 4.47Å; L34-R45 PolarHBondContact N-O 2.91Å; L34-R45 VanDerWaalsContact N-O 3.11Å; L34-M47 HydrophobicContact CD1-CG 4.19Å; L34-M47 HydrophobicContact CD2-CB 4.04Å; L34-M47 HydrophobicContact CD2-CG 4.1Å; L34-M47 HydrophobicContact CG-CG 4.43Å; L34-I106 HydrophobicContact CD2-CB 3.92Å; L34-I106 HydrophobicContact CD2-CD1 4.03Å; L34-I106 HydrophobicContact CD2-CG1 4.4Å; L34-I106 HydrophobicContact CD2-CG2 4.36Å; L34-L109 HydrophobicContact CD1-CD1 4.44Å; L34-L109 HydrophobicContact CD2-CD1 4.16Å; L34-L109 HydrophobicContact CD2-CD2 3.89Å; L34-L109 HydrophobicContact CD2-CG 4.32Å
35S96.6Very high96.5Very high17 Ų1772.1 Ų72.112%0.11933%0.325CS..PPolyproline II helixtrans-61.6163.1169.468.90000111.6E37 L38 R39 I106S35-E37 VanDerWaalsContact C-N 3.31Å; S35-E37 PolarHBondContact O-N 3.4Å; S35-L38 PolarHBondContact O-N 2.76Å; S35-L38 WeakPolarHBondContact OG-CB 3.44Å; S35-L38 WeakPolarHBondContact OG-CG 3.47Å; S35-L38 PolarHBondContact OG-N 3.31Å; S35-R39 WeakPolarHBondContact O-CB 3.48Å; S35-R39 VanDerWaalsContact O-CG 3.22Å; S35-R39 WeakPolarHBondContact O-CG 3.49Å; S35-R39 PolarHBondContact O-N 2.98Å; S35-I106 WeakPolarHBondContact CB-O 3.42Å; S35-I106 PolarHBondContact N-O 3.03Å
36K96.3Very high96.4Very high186 Ų18671 Ų7181%0.80932%0.323SS*.Hα-helixtrans-58.7-44.6-180-70-177.3179.9178.80111.4R39 Q40K36-R39 WeakPolarHBondContact O-CB 3.46Å; K36-R39 PolarHBondContact O-N 3.47Å; K36-Q40 PolarHBondContact O-N 2.96Å
37E95.5Very high96.4Very high156 Ų15669.1 Ų69.173%0.72932%0.316SS*.Hα-helixtrans-59.1-49.5176.9-66.1161.4-152.700112.2S35 R39 Q40 K41S35-E37 VanDerWaalsContact C-N 3.31Å; S35-E37 PolarHBondContact O-N 3.4Å; E37-R39 VanDerWaalsContact C-N 3.31Å; E37-R39 PolarHBondContact O-N 3.42Å; E37-Q40 PolarHBondContact O-N 3.08Å; E37-K41 WeakPolarHBondContact O-CB 3.49Å; E37-K41 PolarHBondContact O-N 3.47Å
38L96.4Very high96.4Very high20 Ų2066.1 Ų66.111%0.10531%0.306CS..Hα-helixtrans-65.8-34178.3-71.7-176000112.4L34 S35 Q40 Y42 I106 T107 L109L34-L38 HydrophobicContact CB-CB 3.98Å; L34-L38 HydrophobicContact CD1-CB 4.32Å; L34-L38 HydrophobicContact CD2-CD1 4.28Å; S35-L38 PolarHBondContact O-N 2.76Å; S35-L38 WeakPolarHBondContact OG-CB 3.44Å; S35-L38 WeakPolarHBondContact OG-CG 3.47Å; S35-L38 PolarHBondContact OG-N 3.31Å; L38-Q40 VanDerWaalsContact C-N 3.34Å; L38-Y42 HydrophobicContact CD2-CD2 4.21Å; L38-Y42 HydrophobicContact CD2-CE2 3.79Å; L38-Y42 WeakPolarHBondContact O-CD2 3.3Å; L38-Y42 PolarHBondContact O-N 3.06Å; L38-I106 HydrophobicContact CD1-CG2 4.3Å; L38-T107 WeakPolarHBondContact CD1-O 3.44Å; L38-L109 HydrophobicContact CD1-CD1 4.23Å; L38-L109 HydrophobicContact CD1-CG 4.02Å
39R96.3Very high96.4Very high83 Ų8360 Ų6031%0.31328%0.28SS..Hα-helixtrans-65.4-39.2174.8-73176.7-168.2-178.712.1111.6L34 S35 K36 E37 N43 V44L34-R39 HydrophobicContact CB-CG 3.88Å; L34-R39 VanDerWaalsContact O-CZ 3.26Å; L34-R39 PolarHBondContact O-NE 3.2Å; L34-R39 PolarHBondContact O-NH2 2.88Å; S35-R39 WeakPolarHBondContact O-CB 3.48Å; S35-R39 VanDerWaalsContact O-CG 3.22Å; S35-R39 WeakPolarHBondContact O-CG 3.49Å; S35-R39 PolarHBondContact O-N 2.98Å; K36-R39 WeakPolarHBondContact O-CB 3.46Å; K36-R39 PolarHBondContact O-N 3.47Å; E37-R39 VanDerWaalsContact C-N 3.31Å; E37-R39 PolarHBondContact O-N 3.42Å; R39-N43 WeakPolarHBondContact O-CA 3.31Å; R39-N43 PolarHBondContact O-N 3.35Å; R39-V44 WeakPolarHBondContact CG-O 3.19Å
40Q95.1Very high96.3Very high170 Ų17062.1 Ų62.179%0.79428%0.284SS*.Hα-helixtrans-69-47177.1-171.4172.33.600110.3K36 E37 L38 Y42K36-Q40 PolarHBondContact O-N 2.96Å; E37-Q40 PolarHBondContact O-N 3.08Å; L38-Q40 VanDerWaalsContact C-N 3.34Å; Q40-Y42 PolarHBondContact O-N 3.32Å
41K95.3Very high96.3Very high154 Ų15467.6 Ų67.667%0.6731%0.307SS*.Hα-helixtrans-60-46179.5-177.7169.7-178165.50113.8E37E37-K41 WeakPolarHBondContact O-CB 3.49Å; E37-K41 PolarHBondContact O-N 3.47Å
42Y94.9Very high96.2Very high56 Ų5668.5 Ų68.522%0.2231%0.31CS..Hα-helixtrans-105.5-5-173.7-63-70.1000114.1L38 Q40 V44 L109 L119 A123L38-Y42 HydrophobicContact CD2-CD2 4.21Å; L38-Y42 HydrophobicContact CD2-CE2 3.79Å; L38-Y42 WeakPolarHBondContact O-CD2 3.3Å; L38-Y42 PolarHBondContact O-N 3.06Å; Q40-Y42 PolarHBondContact O-N 3.32Å; Y42-V44 WeakPolarHBondContact O-CG2 3.44Å; Y42-V44 PolarHBondContact O-N 3.34Å; Y42-V44 VanDerWaalsContact O-N 3.07Å; Y42-L109 HydrophobicContact CD2-CD1 4.3Å; Y42-L109 HydrophobicContact CE2-CD1 4.17Å; Y42-L119 HydrophobicContact CD1-CD1 4.01Å; Y42-L119 HydrophobicContact CE1-CD1 4.14Å; Y42-L119 HydrophobicContact CG-CD1 4.27Å; Y42-L119 HydrophobicContact CG-CD2 4.34Å; Y42-A123 WeakPolarHBondContact O-CB 3.45Å
43N94.3Very high96.2Very high49 Ų4968.5 Ų68.526%0.26231%0.31SS..  trans55.220.7-174.3-166.325.2000114.9R39 R126R39-N43 WeakPolarHBondContact O-CA 3.31Å; R39-N43 PolarHBondContact O-N 3.35Å; N43-R126 WeakPolarHBondContact O-CD 3.26Å; N43-R126 PolarHBondContact O-NH1 3.01Å
44V95.8Very high96.1Very high5 Ų569.3 Ų69.33%0.0331%0.311CS..  trans-110.6139.7180175.50000110.7L34 R39 Y42 S46 M47 L119 K122 A123L34-V44 HydrophobicContact CD1-CB 4.34Å; L34-V44 HydrophobicContact CD1-CG1 4.47Å; R39-V44 WeakPolarHBondContact CG-O 3.19Å; Y42-V44 WeakPolarHBondContact O-CG2 3.44Å; Y42-V44 PolarHBondContact O-N 3.34Å; Y42-V44 VanDerWaalsContact O-N 3.07Å; V44-S46 WeakPolarHBondContact CG1-O 3.45Å; V44-M47 HydrophobicContact CG1-CG 4.43Å; V44-M47 HydrophobicContact CG1-SD 4.46Å; V44-L119 HydrophobicContact CB-CD2 4.25Å; V44-L119 HydrophobicContact CG1-CD2 4.49Å; V44-L119 HydrophobicContact CG2-CD2 4.17Å; V44-K122 HydrophobicContact CG1-CB 4.18Å; V44-K122 HydrophobicContact CG1-CD 3.72Å; V44-K122 HydrophobicContact CG2-CB 3.61Å; V44-A123 HydrophobicContact CG2-CB 4.29Å
45R94.9Very high96.1Very high178 Ų17869.4 Ų69.467%0.67231%0.311SS*.SBendtrans-80.5-38.6-178.2-168.5170.4-176.1167.51.4114L34L34-R45 PolarHBondContact N-O 2.91Å; L34-R45 VanDerWaalsContact N-O 3.11Å
46S96.8Very high96Very high43 Ų4372.2 Ų72.230%0.30132%0.322SS..EExtended strand (participates in β ladder)trans-151153.5-173.961.40000113S32 V44 K122S32-S46 VanDerWaalsContact O-CA 3.27Å; S32-S46 WeakPolarHBondContact O-CA 3.44Å; S32-S46 VanDerWaalsContact O-CB 3.28Å; S32-S46 WeakPolarHBondContact O-CB 3.42Å; V44-S46 WeakPolarHBondContact CG1-O 3.45Å; S46-K122 PolarHBondContact O-NZ 2.98Å
47M96.7Very high96Very high0 Ų063.7 Ų63.70%029%0.286CS..EExtended strand (participates in β ladder)trans-135.1145.8178.8-79.1-65.6-78.400112S31 S32 L34 V44 I49 I106 L109 R115 I118 L119 K122S31-M47 WeakPolarHBondContact CA-O 3.5Å; S32-M47 PolarHBondContact N-O 2.66Å; S32-M47 PolarHBondContact O-N 3.25Å; L34-M47 HydrophobicContact CD1-CG 4.19Å; L34-M47 HydrophobicContact CD2-CB 4.04Å; L34-M47 HydrophobicContact CD2-CG 4.1Å; L34-M47 HydrophobicContact CG-CG 4.43Å; V44-M47 HydrophobicContact CG1-CG 4.43Å; V44-M47 HydrophobicContact CG1-SD 4.46Å; M47-I49 PolarHBondContact O-N 2.88Å; M47-I106 HydrophobicContact CB-CD1 4.39Å; M47-L109 HydrophobicContact CB-CD2 4.41Å; M47-R115 HydrophobicContact CE-CG 3.51Å; M47-I118 HydrophobicContact CE-CB 4.35Å; M47-I118 HydrophobicContact CE-CG2 3.85Å; M47-I118 HydrophobicContact SD-CG2 3.94Å; M47-L119 HydrophobicContact CE-CD2 3.93Å; M47-L119 HydrophobicContact CE-CG 3.91Å; M47-L119 HydrophobicContact CG-CD2 3.82Å; M47-L119 HydrophobicContact SD-CD2 3.69Å; M47-L119 HydrophobicContact SD-CG 4.26Å; M47-K122 HydrophobicContact SD-CD 4.17Å
48P97.4Very high96Very high9 Ų958.6 Ų58.66%0.05827%0.266CS..EExtended strand (participates in β ladder)trans-57.5123.5167.1-2535.8000110.8R27 R115R27-P48 HydrophobicContact CG-CB 4.08Å; P48-R115 PolarHBondContact O-NH1 3.21Å; P48-R115 PolarHBondContact O-NH2 3.36Å
49I97.1Very high95.9Very high7 Ų766 Ų664%0.03629%0.292CS..  trans-68.6141.8-177.7-159.8153000110.8M30 S32 M47 V55 V70 V73 I80 P101 V104M30-I49 PolarHBondContact O-N 3.37Å; S32-I49 WeakPolarHBondContact OG-CD1 3.23Å; M47-I49 PolarHBondContact O-N 2.88Å; I49-V55 HydrophobicContact CD1-CG1 3.84Å; I49-V70 HydrophobicContact CD1-CG2 4.01Å; I49-V70 HydrophobicContact CG1-CG2 4.13Å; I49-V73 HydrophobicContact CG2-CG1 4.2Å; I49-V73 HydrophobicContact CG2-CG2 4.19Å; I49-I80 HydrophobicContact CD1-CD1 3.61Å; I49-I80 HydrophobicContact CD1-CG2 4.28Å; I49-I80 HydrophobicContact CG2-CG2 3.79Å; I49-P101 HydrophobicContact CG2-CB 4.23Å; I49-V104 HydrophobicContact CD1-CG2 3.96Å
50R95.6Very high95.8Very high106 Ų10664.8 Ų64.840%0.431%0.305SS..  trans-126.9160.3179.5-154.4172-173.2136.58.4109.7D53 D112R50-D53 PolarHBondContact N-OD2 2.79Å; R50-D53 PolarHBondContact O-N 3.01Å; R50-D112 IonicContact CZ-OD2 2.66Å; R50-D112 IonicContact NE-OD2 3.22Å; R50-D112 IonicContact NH1-OD2 3.89Å; R50-D112 PolarHBondContact NH1-OD2 2.97Å
51K96.3Very high95.7Very high117 Ų11764.8 Ų64.851%0.50931%0.305SS..THydrogen-bonded Turntrans-56.5141.1164.9-178.6176.1174.3-178.50108.9D53 V71K51-D53 VanDerWaalsContact C-N 3.26Å; K51-D53 PolarHBondContact O-N 2.98Å; K51-V71 WeakPolarHBondContact CD-O 3.21Å; K51-V71 WeakPolarHBondContact CE-O 3.46Å; K51-V71 WeakPolarHBondContact CG-O 3.21Å
52D96.4Very high95.6Very high50 Ų5059.7 Ų59.727%0.26728%0.281SS..THydrogen-bonded Turntrans68.58.9-178.4-40.7-50000116.3K69 V70 K110D52-K69 HydrophobicContact CB-CD 4.11Å; D52-K69 HydrophobicContact CB-CG 4.36Å; D52-V70 PolarHBondContact N-O 2.76Å; D52-K110 HydrophobicContact CB-CD 3.62Å; D52-K110 IonicContact OD2-NZ 2.66Å; D52-K110 PolarHBondContact OD2-NZ 2.88Å
53D96.9Very high95.5Very high0 Ų063.8 Ų63.80%030%0.3CS..  trans-68.3143.4160.9-72.5-37.3000108.8R50 K51 V70 I106 L109 K110 R115R50-D53 PolarHBondContact N-OD2 2.79Å; R50-D53 PolarHBondContact O-N 3.01Å; K51-D53 VanDerWaalsContact C-N 3.26Å; K51-D53 PolarHBondContact O-N 2.98Å; D53-V70 WeakPolarHBondContact O-CG2 3.23Å; D53-V70 PolarHBondContact O-N 3.31Å; D53-I106 HydrophobicContact CB-CG2 4.4Å; D53-L109 WeakPolarHBondContact OD1-CA 2.94Å; D53-K110 PolarHBondContact OD1-N 3.4Å; D53-R115 IonicContact OD1-CZ 2.76Å; D53-R115 IonicContact OD1-NE 3.57Å; D53-R115 IonicContact OD1-NH2 3.98Å; D53-R115 PolarHBondContact OD1-NH2 2.84Å; D53-R115 IonicContact OD2-CZ 3.92Å; D53-R115 IonicContact OD2-NH1 3.36Å; D53-R115 IonicContact OD2-NH2 3.62Å; D53-R115 PolarHBondContact OD2-NH2 3.21Å
54E96Very high94.9Very high50 Ų5064.2 Ų64.223%0.23432%0.317CS..EExtended strand (participates in β ladder)trans-91.4133171-63.6172.2-166.200109.4I67 I106 T107 R108E54-I67 HydrophobicContact CB-CG2 3.72Å; E54-I67 HydrophobicContact CG-CG2 4.47Å; E54-I106 WeakPolarHBondContact O-CG2 3.37Å; E54-T107 PolarHBondContact O-N 3.33Å; E54-T107 PolarHBondContact O-OG1 2.92Å; E54-R108 HydrophobicContact CB-CB 3.82Å; E54-R108 HydrophobicContact CG-CB 4.06Å; E54-R108 PolarHBondContact N-O 3.21Å; E54-R108 PolarHBondContact O-N 3Å; E54-R108 VanDerWaalsContact OE1-CD 3.3Å; E54-R108 WeakPolarHBondContact OE1-CD 3.47Å; E54-R108 IonicContact OE1-NH1 3.03Å; E54-R108 PolarHBondContact OE1-NH1 2.81Å; E54-R108 WeakPolarHBondContact OE2-CB 3.27Å; E54-R108 WeakPolarHBondContact OE2-CD 3.32Å
55V96.8Very high94Very high1 Ų167.3 Ų67.31%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-136.5150.3-173.1-62.30000111.7I49 G68 V70 I82 V104 V105 I106I49-V55 HydrophobicContact CD1-CG1 3.84Å; V55-G68 WeakPolarHBondContact CG2-O 2.95Å; V55-G68 PolarHBondContact N-O 3.48Å; V55-G68 PolarHBondContact O-N 3.38Å; V55-V70 HydrophobicContact CB-CG2 4.39Å; V55-V70 HydrophobicContact CG1-CG2 3.75Å; V55-V70 HydrophobicContact CG2-CG2 3.68Å; V55-I82 HydrophobicContact CG2-CD1 3.61Å; V55-I82 HydrophobicContact CG2-CG1 3.78Å; V55-I82 HydrophobicContact CG2-CG2 4.15Å; V55-V104 HydrophobicContact CB-CB 4.31Å; V55-V104 HydrophobicContact CB-CG2 4.34Å; V55-V104 HydrophobicContact CG1-CG2 4.35Å; V55-V105 CarbonylContact C-O 3.57Å; V55-V105 VanDerWaalsContact CA-O 3.3Å; V55-V105 WeakPolarHBondContact CA-O 3.39Å; V55-I106 HydrophobicContact CG1-CG1 4.1Å
56Q95.5Very high93.3Very high76 Ų7665.8 Ų65.836%0.35533%0.331SS..EExtended strand (participates in β ladder)trans-116135.6171-170.5-176.718.300109.6I67 V104 V105 T107Q56-I67 HydrophobicContact CB-CG1 4.44Å; Q56-V104 CarbonylContact O-C 3.52Å; Q56-V104 VanDerWaalsContact O-CA 3.25Å; Q56-V104 WeakPolarHBondContact O-CA 3.49Å; Q56-V104 WeakPolarHBondContact O-CB 3.3Å; Q56-V105 PolarHBondContact N-O 2.94Å; Q56-V105 PolarHBondContact O-N 3.29Å; Q56-T107 HydrophobicContact CB-CG2 4.12Å
57V96.3Very high93.1Very high8 Ų867.4 Ų67.45%0.04834%0.336CS..EExtended strand (participates in β ladder)trans-81.5124.4176.2-177.50000109.6R59 Y62 I82 V85 I99 V104V57-R59 WeakPolarHBondContact CG1-O 3.4Å; V57-Y62 WeakPolarHBondContact CB-O 3.38Å; V57-I82 HydrophobicContact CG2-CD1 3.83Å; V57-V85 HydrophobicContact CG2-CG2 4.25Å; V57-I99 HydrophobicContact CG1-CD1 4.07Å; V57-I99 HydrophobicContact CG2-CD1 3.58Å; V57-V104 HydrophobicContact CG2-CG1 4.12Å
58V95.2Very high93Very high49 Ų4967.5 Ų67.530%0.29734%0.337SS..  trans-106.4-15.4-176.9-66.80000114K63 K103 V105V58-K63 VanDerWaalsContact O-CD 3.32Å; V58-K63 WeakPolarHBondContact O-CD 3.38Å; V58-K63 WeakPolarHBondContact O-CE 3.37Å; V58-K103 WeakPolarHBondContact CG2-O 3.47Å; V58-K103 PolarHBondContact N-O 3.22Å; V58-V105 HydrophobicContact CB-CG2 4.46Å; V58-V105 HydrophobicContact CG1-CB 4.16Å; V58-V105 HydrophobicContact CG1-CG2 3.52Å; V58-V105 HydrophobicContact CG2-CG2 4.11Å
59R94.9Very high92.9Very high176 Ų17671.3 Ų71.366%0.66435%0.353SS*.SBendtrans-140.5145.9-179.3-64.9179.9-174.4-172.6-0.4111.2V57 K103V57-R59 WeakPolarHBondContact CG1-O 3.4Å; R59-K103 HydrophobicContact CB-CB 4.2Å; R59-K103 HydrophobicContact CB-CG 4.33Å; R59-K103 PolarHBondContact N-O 3.22Å
60G94.3Very high92.9Very high56 Ų5671 Ų7158%0.57735%0.351SS*.SBendtrans100.5-175.9178.500000112.6Y62 K63G60-Y62 VanDerWaalsContact C-N 3.31Å; G60-Y62 PolarHBondContact O-N 2.87Å; G60-K63 WeakPolarHBondContact O-CB 3.3Å; G60-K63 PolarHBondContact O-N 2.99Å; G60-K63 VanDerWaalsContact O-N 3.15Å
61H93.1Very high93Very high171 Ų17168.6 Ų68.679%0.79235%0.348SS*.THydrogen-bonded Turntrans-58.4-40.4-176-177.768.5000112.9K63H61-K63 PolarHBondContact O-N 3.26Å
62Y92.6Very high93Very high46 Ų4667.5 Ų67.518%0.1835%0.345CS..THydrogen-bonded Turntrans-82.818.1-179.8-59-80.4000114V57 G60 V85 V97V57-Y62 WeakPolarHBondContact CB-O 3.38Å; G60-Y62 VanDerWaalsContact C-N 3.31Å; G60-Y62 PolarHBondContact O-N 2.87Å; Y62-V85 HydrophobicContact CD1-CG1 3.88Å; Y62-V85 HydrophobicContact CD2-CG1 3.89Å; Y62-V85 HydrophobicContact CE1-CG1 4.29Å; Y62-V85 HydrophobicContact CE2-CG1 4.32Å; Y62-V85 HydrophobicContact CG-CG1 3.66Å; Y62-V97 HydrophobicContact CD2-CG1 4.47Å; Y62-V97 HydrophobicContact CE2-CB 4.01Å; Y62-V97 HydrophobicContact CE2-CG1 3.79Å; Y62-V97 HydrophobicContact CE2-CG2 4.12Å; Y62-V97 WeakPolarHBondContact OH-CG2 3.3Å
63K92.9Very high93.1Very high142 Ų14266.7 Ų66.762%0.61734%0.342SS*.THydrogen-bonded Turntrans-66.6139.7175.9178.5-171.1177.2-162.60109.7V58 G60 H61 Q65V58-K63 VanDerWaalsContact O-CD 3.32Å; V58-K63 WeakPolarHBondContact O-CD 3.38Å; V58-K63 WeakPolarHBondContact O-CE 3.37Å; G60-K63 WeakPolarHBondContact O-CB 3.3Å; G60-K63 PolarHBondContact O-N 2.99Å; G60-K63 VanDerWaalsContact O-N 3.15Å; H61-K63 PolarHBondContact O-N 3.26Å; K63-Q65 PolarHBondContact O-N 2.92Å
64G81.3Confident93.1Very high59 Ų5970.4 Ų70.461%0.60836%0.356SS*.THydrogen-bonded Turntrans83.6-5.9175.900000114.2
65Q76.3Confident93.2Very high69 Ų6971.9 Ų71.932%0.32236%0.36SS..PPolyproline II helixtrans-57.8147.7162.7-72.1-170.6-26.500110.3K63K63-Q65 PolarHBondContact O-N 2.92Å
66Q82.1Confident93.1Very high146 Ų14679.7 Ų79.768%0.68239%0.393SS*.PPolyproline II helixtrans-55.2158178.6-66.8-174.16.200111.3G68Q66-G68 PolarHBondContact O-N 2.82Å
67I91.2Very high93.2Very high77 Ų7782.8 Ų82.840%0.39541%0.406SS..PPolyproline II helixtrans-51.5130.3175.3-61.9170.7000109.1E54 Q56 T107E54-I67 HydrophobicContact CB-CG2 3.72Å; E54-I67 HydrophobicContact CG-CG2 4.47Å; Q56-I67 HydrophobicContact CB-CG1 4.44Å; I67-T107 HydrophobicContact CD1-CG2 3.98Å; I67-T107 HydrophobicContact CG1-CG2 4.16Å; I67-T107 WeakPolarHBondContact CG2-OG1 3.28Å
68G94.1Very high93.3Very high3 Ų383.2 Ų83.23%0.03141%0.406CS..EExtended strand (participates in β ladder)trans-127.1146.8-179.200000111.2V55 Q66V55-G68 WeakPolarHBondContact CG2-O 2.95Å; V55-G68 PolarHBondContact N-O 3.48Å; V55-G68 PolarHBondContact O-N 3.38Å; Q66-G68 PolarHBondContact O-N 2.82Å
69K96.6Very high93.4Very high89 Ų8982.1 Ų82.139%0.38740%0.4SS..EExtended strand (participates in β ladder)trans-78.5140.5175-170.8177.1-73.9169.90110.4D52 V71 I82 E83D52-K69 HydrophobicContact CB-CD 4.11Å; D52-K69 HydrophobicContact CB-CG 4.36Å; K69-V71 PolarHBondContact O-N 3.2Å; K69-I82 WeakPolarHBondContact O-CA 3.45Å; K69-E83 PolarHBondContact O-N 2.89Å
70V97.3Very high93.5Very high0 Ų073.8 Ų73.80%037%0.368CS..EExtended strand (participates in β ladder)trans-74.1112.2173.1179.10000109.3I49 D52 D53 V55 V73 I80I49-V70 HydrophobicContact CD1-CG2 4.01Å; I49-V70 HydrophobicContact CG1-CG2 4.13Å; D52-V70 PolarHBondContact N-O 2.76Å; D53-V70 WeakPolarHBondContact O-CG2 3.23Å; D53-V70 PolarHBondContact O-N 3.31Å; V55-V70 HydrophobicContact CB-CG2 4.39Å; V55-V70 HydrophobicContact CG1-CG2 3.75Å; V55-V70 HydrophobicContact CG2-CG2 3.68Å; V70-V73 HydrophobicContact CG1-CG2 3.81Å; V70-I80 HydrophobicContact CG1-CB 4.45Å
71V96.8Very high93.7Very high55 Ų5573.5 Ų73.533%0.33335%0.35SS..EExtended strand (participates in β ladder)trans-77-44.7179.5179.10000110.7K51 K69 Y81 E83K51-V71 WeakPolarHBondContact CD-O 3.21Å; K51-V71 WeakPolarHBondContact CE-O 3.46Å; K51-V71 WeakPolarHBondContact CG-O 3.21Å; K69-V71 PolarHBondContact O-N 3.2Å; V71-Y81 PolarHBondContact N-O 3.03Å; V71-E83 HydrophobicContact CG2-CB 3.71Å; V71-E83 HydrophobicContact CG2-CG 4.35Å
72Q96.8Very high93.8Very high95 Ų9565.5 Ų65.544%0.44431%0.313SS..EExtended strand (participates in β ladder)trans-149.9143.4-174.7-170.2-178.513.900111.6Y81Q72-Y81 HydrophobicContact CB-CD2 4.09Å; Q72-Y81 PolarHBondContact N-O 2.93Å; Q72-Y81 PolarHBondContact O-N 3.08Å
73V97.8Very high93.8Very high33 Ų3367.9 Ų67.920%0.233%0.326CS..EExtended strand (participates in β ladder)trans-111101.9174.2-178.20000109M30 I49 V70 R75 I80M30-V73 HydrophobicContact CE-CG1 3.82Å; M30-V73 HydrophobicContact SD-CG1 4.41Å; I49-V73 HydrophobicContact CG2-CG1 4.2Å; I49-V73 HydrophobicContact CG2-CG2 4.19Å; V70-V73 HydrophobicContact CG1-CG2 3.81Å; V73-R75 HydrophobicContact CG1-CG 4.13Å; V73-R75 PolarHBondContact O-N 3.35Å; V73-I80 HydrophobicContact CG1-CG2 4.24Å; V73-I80 HydrophobicContact CG2-CG2 4.22Å
74Y97.5Very high93.6Very high77 Ų7767.8 Ų67.830%0.30232%0.322SS..EExtended strand (participates in β ladder)trans-91.584-177.1-160.2-83.7000111K76 K77 Y78 V79Y74-K76 VanDerWaalsContact C-N 3.26Å; Y74-K76 HydrophobicContact CD1-CB 4.18Å; Y74-K76 HydrophobicContact CE1-CB 3.61Å; Y74-K76 HydrophobicContact CE1-CG 4.41Å; Y74-K76 PolarHBondContact O-N 2.65Å; Y74-K77 HydrophobicContact CD1-CB 3.65Å; Y74-K77 HydrophobicContact CD1-CD 3.96Å; Y74-K77 HydrophobicContact CD1-CG 3.82Å; Y74-K77 HydrophobicContact CE1-CB 3.98Å; Y74-K77 HydrophobicContact CE1-CD 3.68Å; Y74-K77 HydrophobicContact CE1-CG 3.59Å; Y74-K77 PolarHBondContact O-N 2.9Å; Y74-Y78 PolarHBondContact O-N 3.4Å; Y74-V79 CarbonylContact C-O 3.55Å; Y74-V79 WeakPolarHBondContact CA-O 3.23Å; Y74-V79 PolarHBondContact N-O 2.76Å; Y74-V79 PolarHBondContact O-N 2.68Å
75R97Very high94.2Very high82 Ų8265.1 Ų65.131%0.30929%0.294SS..THydrogen-bonded Turntrans-63.1-27.1-175-63.5-175.3-174.1158.38114.2S23 R26 M30 V73 K77 Y78S23-R75 PolarHBondContact OG-NH1 3.25Å; R26-R75 HydrophobicContact CB-CB 4.25Å; R26-R75 WeakPolarHBondContact CD-O 3.25Å; R26-R75 PolarHBondContact NH1-O 2.9Å; R26-R75 VanDerWaalsContact NH1-O 3.08Å; M30-R75 HydrophobicContact SD-CB 4.17Å; M30-R75 HydrophobicContact SD-CG 3.93Å; V73-R75 HydrophobicContact CG1-CG 4.13Å; V73-R75 PolarHBondContact O-N 3.35Å; R75-K77 VanDerWaalsContact C-N 3.29Å; R75-K77 PolarHBondContact O-N 3.45Å; R75-Y78 PolarHBondContact O-N 3.22Å
76K96.1Very high95Very high165 Ų16565.2 Ų65.272%0.71729%0.294SS*.THydrogen-bonded Turntrans-64.7-33.6179.9-175.1174-178.6178.10112.1R26 Y74R26-K76 PolarHBondContact NH1-O 3.4Å; Y74-K76 VanDerWaalsContact C-N 3.26Å; Y74-K76 HydrophobicContact CD1-CB 4.18Å; Y74-K76 HydrophobicContact CE1-CB 3.61Å; Y74-K76 HydrophobicContact CE1-CG 4.41Å; Y74-K76 PolarHBondContact O-N 2.65Å
77K97Very high95.6Very high140 Ų14065.5 Ų65.561%0.60929%0.289SS*.THydrogen-bonded Turntrans-105.65.2178.8-69.2169.8-179.8-173.40114.3Y74 R75 V79Y74-K77 HydrophobicContact CD1-CB 3.65Å; Y74-K77 HydrophobicContact CD1-CD 3.96Å; Y74-K77 HydrophobicContact CD1-CG 3.82Å; Y74-K77 HydrophobicContact CE1-CB 3.98Å; Y74-K77 HydrophobicContact CE1-CD 3.68Å; Y74-K77 HydrophobicContact CE1-CG 3.59Å; Y74-K77 PolarHBondContact O-N 2.9Å; R75-K77 VanDerWaalsContact C-N 3.29Å; R75-K77 PolarHBondContact O-N 3.45Å; K77-V79 VanDerWaalsContact C-N 3.25Å; K77-V79 HydrophobicContact CB-CB 4.45Å; K77-V79 HydrophobicContact CB-CG2 4.45Å; K77-V79 WeakPolarHBondContact O-CG2 3.15Å; K77-V79 PolarHBondContact O-N 3.3Å
78Y97.7Very high95.8Very high17 Ų1769.1 Ų69.17%0.06731%0.305CS..THydrogen-bonded Turntrans57.934.7-176.1-72-90.7000114.4H18 R26 I29 M30 Y74 R75 H100 P101H18-Y78 AromaticContact CE1-CE1 3.82Å; H18-Y78 AromaticContact CE1-CE2 3.93Å; H18-Y78 AromaticContact CE1-CZ 3.7Å; H18-Y78 AromaticContact NE2-CE1 3.76Å; H18-Y78 AromaticContact NE2-CZ 3.98Å; H18-Y78 PolarHBondContact O-OH 3.38Å; R26-Y78 HydrophobicContact CB-CE1 4.4Å; R26-Y78 HydrophobicContact CG-CE1 4.38Å; R26-Y78 WeakPolarHBondContact CG-OH 3.5Å; I29-Y78 HydrophobicContact CB-CE1 4.13Å; I29-Y78 HydrophobicContact CD1-CE1 4.39Å; I29-Y78 HydrophobicContact CG2-CD1 4.26Å; I29-Y78 HydrophobicContact CG2-CE1 3.71Å; M30-Y78 HydrophobicContact CG-CD1 3.78Å; M30-Y78 HydrophobicContact CG-CE1 4.33Å; M30-Y78 HydrophobicContact SD-CD1 4.24Å; Y74-Y78 PolarHBondContact O-N 3.4Å; R75-Y78 PolarHBondContact O-N 3.22Å; Y78-H100 PolarHBondContact O-CD2 3.28Å; Y78-H100 VanDerWaalsContact O-CD2 3.31Å; Y78-P101 WeakPolarHBondContact O-CD 3.41Å
79V97.6Very high95.9Very high27 Ų2774 Ų7416%0.16433%0.325CS..EExtended strand (participates in β ladder)trans-125.9147.5-171.9161.20000110.7Y74 K77 Y81 I99Y74-V79 CarbonylContact C-O 3.55Å; Y74-V79 WeakPolarHBondContact CA-O 3.23Å; Y74-V79 PolarHBondContact N-O 2.76Å; Y74-V79 PolarHBondContact O-N 2.68Å; K77-V79 VanDerWaalsContact C-N 3.25Å; K77-V79 HydrophobicContact CB-CB 4.45Å; K77-V79 HydrophobicContact CB-CG2 4.45Å; K77-V79 WeakPolarHBondContact O-CG2 3.15Å; K77-V79 PolarHBondContact O-N 3.3Å; V79-Y81 HydrophobicContact CG1-CD1 4.25Å; V79-Y81 HydrophobicContact CG1-CE1 3.9Å; V79-I99 WeakPolarHBondContact CA-O 3.42Å
80I97.6Very high95.9Very high0 Ų075.5 Ų75.50%035%0.354CS..EExtended strand (participates in β ladder)trans-112.2147.3167.158.2169.6000110M30 I49 V70 V73 I82 I99 P101 V104M30-I80 HydrophobicContact CE-CG2 4.09Å; I49-I80 HydrophobicContact CD1-CD1 3.61Å; I49-I80 HydrophobicContact CD1-CG2 4.28Å; I49-I80 HydrophobicContact CG2-CG2 3.79Å; V70-I80 HydrophobicContact CG1-CB 4.45Å; V73-I80 HydrophobicContact CG1-CG2 4.24Å; V73-I80 HydrophobicContact CG2-CG2 4.22Å; I80-I82 HydrophobicContact CD1-CD1 4.09Å; I80-I82 HydrophobicContact CD1-CG1 4.2Å; I80-I82 HydrophobicContact CG1-CG1 4.5Å; I80-I99 HydrophobicContact CG1-CB 4.41Å; I80-I99 WeakPolarHBondContact CG1-O 3.2Å; I80-I99 PolarHBondContact N-O 3.47Å; I80-I99 PolarHBondContact O-N 2.97Å; I80-P101 HydrophobicContact CG2-CB 4.44Å; I80-V104 HydrophobicContact CD1-CB 4.49Å; I80-V104 HydrophobicContact CD1-CG1 4Å; I80-V104 HydrophobicContact CD1-CG2 3.71Å
81Y97.6Very high95.9Very high50 Ų5080.7 Ų80.720%0.19638%0.382CS..EExtended strand (participates in β ladder)trans-107.5131.9169.4-62.5-48.6000109.2V71 Q72 V79 H96V71-Y81 PolarHBondContact N-O 3.03Å; Q72-Y81 HydrophobicContact CB-CD2 4.09Å; Q72-Y81 PolarHBondContact N-O 2.93Å; Q72-Y81 PolarHBondContact O-N 3.08Å; V79-Y81 HydrophobicContact CG1-CD1 4.25Å; V79-Y81 HydrophobicContact CG1-CE1 3.9Å; Y81-H96 HydrophobicContact CD1-CB 3.7Å; Y81-H96 HydrophobicContact CE1-CB 4.42Å; Y81-H96 HydrophobicContact CG-CB 3.88Å
82I96.3Very high95.7Very high3 Ų380.7 Ų80.72%0.01539%0.393CS..EExtended strand (participates in β ladder)trans-118.1133.7-177-56.8167.3000106.6V55 V57 K69 I80 R84 V85 H96 I99 V104V55-I82 HydrophobicContact CG2-CD1 3.61Å; V55-I82 HydrophobicContact CG2-CG1 3.78Å; V55-I82 HydrophobicContact CG2-CG2 4.15Å; V57-I82 HydrophobicContact CG2-CD1 3.83Å; K69-I82 WeakPolarHBondContact O-CA 3.45Å; I80-I82 HydrophobicContact CD1-CD1 4.09Å; I80-I82 HydrophobicContact CD1-CG1 4.2Å; I80-I82 HydrophobicContact CG1-CG1 4.5Å; I82-R84 VanDerWaalsContact C-N 3.32Å; I82-R84 PolarHBondContact O-N 2.66Å; I82-V85 HydrophobicContact CB-CB 4.11Å; I82-V85 HydrophobicContact CB-CG2 3.7Å; I82-V85 HydrophobicContact CD1-CG2 4.16Å; I82-V85 HydrophobicContact CG2-CG2 3.89Å; I82-V85 PolarHBondContact O-N 3.37Å; I82-H96 PolarHBondContact O-CD2 3.39Å; I82-I99 HydrophobicContact CD1-CD1 4.24Å; I82-V104 HydrophobicContact CD1-CG1 4.05Å
83E91.9Very high95.7Very high97 Ų9779.2 Ų79.245%0.45339%0.39SS..THydrogen-bonded Turntrans-49.7-47.8-169.5-173.9175.7-175.400113.8K69 V71 Q86K69-E83 PolarHBondContact O-N 2.89Å; V71-E83 HydrophobicContact CG2-CB 3.71Å; V71-E83 HydrophobicContact CG2-CG 4.35Å; E83-Q86 WeakPolarHBondContact O-CG 3.06Å; E83-Q86 PolarHBondContact O-NE2 3.36Å
84R88.6Confident95.6Very high139 Ų13981.1 Ų81.153%0.52540%0.402SS..THydrogen-bonded Turntrans-87.9-1.6-176.3-62.3-178.8175.7-167.9-4114.5I82 Q86I82-R84 VanDerWaalsContact C-N 3.32Å; I82-R84 PolarHBondContact O-N 2.66Å; R84-Q86 PolarHBondContact O-N 2.98Å
85V93.3Very high95.5Very high4 Ų479.3 Ų79.32%0.02440%0.399CS..  trans-98.385.5-179.9-175.80000108.2V57 Y62 I82 H96 V97 I99V57-V85 HydrophobicContact CG2-CG2 4.25Å; Y62-V85 HydrophobicContact CD1-CG1 3.88Å; Y62-V85 HydrophobicContact CD2-CG1 3.89Å; Y62-V85 HydrophobicContact CE1-CG1 4.29Å; Y62-V85 HydrophobicContact CE2-CG1 4.32Å; Y62-V85 HydrophobicContact CG-CG1 3.66Å; I82-V85 HydrophobicContact CB-CB 4.11Å; I82-V85 HydrophobicContact CB-CG2 3.7Å; I82-V85 HydrophobicContact CD1-CG2 4.16Å; I82-V85 HydrophobicContact CG2-CG2 3.89Å; I82-V85 PolarHBondContact O-N 3.37Å; V85-H96 WeakPolarHBondContact O-CA 3.47Å; V85-V97 HydrophobicContact CG1-CB 4.01Å; V85-V97 PolarHBondContact O-N 2.99Å; V85-I99 HydrophobicContact CB-CD1 4.37Å; V85-I99 HydrophobicContact CG1-CD1 3.58Å; V85-I99 HydrophobicContact CG1-CG1 4.29Å; V85-I99 HydrophobicContact CG2-CD1 4.14Å
86Q94.1Very high95.5Very high70 Ų7078.7 Ų78.733%0.32740%0.399SS..EExtended strand (participates in β ladder)trans-123.8162.4-177.1-57.8-176.55.400111.2E83 R84 T94 V95 H96E83-Q86 WeakPolarHBondContact O-CG 3.06Å; E83-Q86 PolarHBondContact O-NE2 3.36Å; R84-Q86 PolarHBondContact O-N 2.98Å; Q86-T94 VanDerWaalsContact OE1-CB 3.28Å; Q86-T94 PolarHBondContact OE1-OG1 2.65Å; Q86-T94 VanDerWaalsContact OE1-OG1 3.1Å; Q86-V95 CarbonylContact C-O 3.54Å; Q86-V95 VanDerWaalsContact CA-O 3.29Å; Q86-V95 WeakPolarHBondContact CA-O 3.44Å; Q86-H96 PolarHBondContact NE2-NE2 3.48Å
87R94.1Very high95.4Very high153 Ų15372.2 Ų72.258%0.57737%0.374SS*.EExtended strand (participates in β ladder)trans-134.6146.216669178.6-174.91705.5109.1T94 V95 V97R87-T94 WeakPolarHBondContact O-CA 3.5Å; R87-V95 HydrophobicContact CG-CG2 3.75Å; R87-V95 PolarHBondContact N-O 3.45Å; R87-V95 PolarHBondContact O-N 2.84Å; R87-V97 HydrophobicContact CB-CG2 3.8Å; R87-V97 HydrophobicContact CG-CG2 3.65Å
88E96.3Very high95.4Very high153 Ų15367.3 Ų67.372%0.71536%0.363SS*.EExtended strand (participates in β ladder)trans-79.8144.5171.1-72.6173-171.800110.4T94E88-T94 HydrophobicContact CG-CG2 3.83Å
89K96.9Very high95.4Very high104 Ų10467.2 Ų67.245%0.45236%0.363SS..  trans-93.1166.3167.8-73.9177.9177.9169.90109.5N91 G92 T93 V95K89-N91 WeakPolarHBondContact CB-OD1 3.4Å; K89-N91 PolarHBondContact O-N 2.87Å; K89-G92 PolarHBondContact O-N 3.29Å; K89-T93 PolarHBondContact N-O 3.29Å; K89-V95 HydrophobicContact CD-CG1 4.19Å; K89-V95 VanDerWaalsContact CE-CG1 3.44Å; K89-V95 HydrophobicContact CG-CG2 4.26Å
90A96.4Very high95.4Very high122 Ų12269 Ų69100%1.00837%0.37SS*.THydrogen-bonded Turntrans-57.4-24175.800000113.8G92A90-G92 VanDerWaalsContact C-N 3.29Å; A90-G92 PolarHBondContact O-N 3.26Å
91N95.9Very high95.3Very high109 Ų10969 Ų6958%0.58337%0.37SS*.THydrogen-bonded Turntrans-86.810.7176.272.8-18.2000113.9K89 T93K89-N91 WeakPolarHBondContact CB-OD1 3.4Å; K89-N91 PolarHBondContact O-N 2.87Å; N91-T93 PolarHBondContact ND2-OG1 2.7Å; N91-T93 PolarHBondContact O-N 2.86Å; N91-T93 PolarHBondContact OD1-N 2.9Å; N91-T93 PolarHBondContact OD1-OG1 2.87Å
92G93.8Very high95.3Very high54 Ų5469.8 Ų69.856%0.55738%0.382SS*.SBendtrans77.8-8.7-179.600000115.7K89 A90K89-G92 PolarHBondContact O-N 3.29Å; A90-G92 VanDerWaalsContact C-N 3.29Å; A90-G92 PolarHBondContact O-N 3.26Å
93T96.4Very high95.4Very high64 Ų6474.3 Ų74.339%0.39340%0.402SS..  trans-76.7138.6177.862.70000111.9K89 N91K89-T93 PolarHBondContact N-O 3.29Å; N91-T93 PolarHBondContact ND2-OG1 2.7Å; N91-T93 PolarHBondContact O-N 2.86Å; N91-T93 PolarHBondContact OD1-N 2.9Å; N91-T93 PolarHBondContact OD1-OG1 2.87Å
94T95.9Very high95.6Very high74 Ų7469.7 Ų69.745%0.45438%0.381SS..EExtended strand (participates in β ladder)trans-87.3142.217662.40000111.7Q86 R87 E88Q86-T94 VanDerWaalsContact OE1-CB 3.28Å; Q86-T94 PolarHBondContact OE1-OG1 2.65Å; Q86-T94 VanDerWaalsContact OE1-OG1 3.1Å; R87-T94 WeakPolarHBondContact O-CA 3.5Å; E88-T94 HydrophobicContact CG-CG2 3.83Å
95V95.8Very high96Very high38 Ų3864.3 Ų64.323%0.2336%0.363CS..EExtended strand (participates in β ladder)trans-133.3143.3172.9-67.70000111.7Q86 R87 K89 V97Q86-V95 CarbonylContact C-O 3.54Å; Q86-V95 VanDerWaalsContact CA-O 3.29Å; Q86-V95 WeakPolarHBondContact CA-O 3.44Å; R87-V95 HydrophobicContact CG-CG2 3.75Å; R87-V95 PolarHBondContact N-O 3.45Å; R87-V95 PolarHBondContact O-N 2.84Å; K89-V95 HydrophobicContact CD-CG1 4.19Å; K89-V95 VanDerWaalsContact CE-CG1 3.44Å; K89-V95 HydrophobicContact CG-CG2 4.26Å; V95-V97 PolarHBondContact O-N 3.38Å
96H95.8Very high96.2Very high69 Ų6964.1 Ų64.132%0.31936%0.362SS..EExtended strand (participates in β ladder)trans-66.2132.1176.7-63.294.4000111.4Y81 I82 V85 Q86Y81-H96 HydrophobicContact CD1-CB 3.7Å; Y81-H96 HydrophobicContact CE1-CB 4.42Å; Y81-H96 HydrophobicContact CG-CB 3.88Å; I82-H96 PolarHBondContact O-CD2 3.39Å; V85-H96 WeakPolarHBondContact O-CA 3.47Å; Q86-H96 PolarHBondContact NE2-NE2 3.48Å
97V95.2Very high96.2Very high30 Ų3062.2 Ų62.218%0.18236%0.355CS..PPolyproline II helixtrans-87.1132.1174-177.50000109.8Y62 V85 R87 V95 I99Y62-V97 HydrophobicContact CD2-CG1 4.47Å; Y62-V97 HydrophobicContact CE2-CB 4.01Å; Y62-V97 HydrophobicContact CE2-CG1 3.79Å; Y62-V97 HydrophobicContact CE2-CG2 4.12Å; Y62-V97 WeakPolarHBondContact OH-CG2 3.3Å; V85-V97 HydrophobicContact CG1-CB 4.01Å; V85-V97 PolarHBondContact O-N 2.99Å; R87-V97 HydrophobicContact CB-CG2 3.8Å; R87-V97 HydrophobicContact CG-CG2 3.65Å; V95-V97 PolarHBondContact O-N 3.38Å; V97-I99 PolarHBondContact O-N 3.17Å
98G96.5Very high96.3Very high37 Ų3762.6 Ų62.638%0.38136%0.357SS..PPolyproline II helixtrans-75.2121.5-179.100000113
99I96.7Very high96.3Very high15 Ų1556.1 Ų56.18%0.07733%0.326CS..BIsolated β-bridgetrans-112.9145.1175.6-64.4-178.6000110.4V57 V79 I80 I82 V85 V97 K103 V104V57-I99 HydrophobicContact CG1-CD1 4.07Å; V57-I99 HydrophobicContact CG2-CD1 3.58Å; V79-I99 WeakPolarHBondContact CA-O 3.42Å; I80-I99 HydrophobicContact CG1-CB 4.41Å; I80-I99 WeakPolarHBondContact CG1-O 3.2Å; I80-I99 PolarHBondContact N-O 3.47Å; I80-I99 PolarHBondContact O-N 2.97Å; I82-I99 HydrophobicContact CD1-CD1 4.24Å; V85-I99 HydrophobicContact CB-CD1 4.37Å; V85-I99 HydrophobicContact CG1-CD1 3.58Å; V85-I99 HydrophobicContact CG1-CG1 4.29Å; V85-I99 HydrophobicContact CG2-CD1 4.14Å; V97-I99 PolarHBondContact O-N 3.17Å; I99-K103 HydrophobicContact CG2-CB 4.27Å; I99-V104 HydrophobicContact CG2-CG1 3.66Å
100H97.6Very high96.3Very high64 Ų6455.5 Ų55.530%0.29632%0.324SS..  trans-79.2134.2173.7-173.3-92.8000110.4Y78 S102 K103Y78-H100 PolarHBondContact O-CD2 3.28Å; Y78-H100 VanDerWaalsContact O-CD2 3.31Å; H100-S102 PolarHBondContact CE1-OG 3.03Å; H100-S102 VanDerWaalsContact CE1-OG 3.31Å; H100-S102 WeakPolarHBondContact ND1-CB 3.41Å; H100-S102 PolarHBondContact ND1-N 3.24Å; H100-S102 VanDerWaalsContact ND1-N 3.2Å; H100-S102 PolarHBondContact ND1-OG 2.93Å; H100-S102 PolarHBondContact O-N 3.15Å; H100-S102 VanDerWaalsContact O-N 3.08Å; H100-K103 HydrophobicContact CB-CD 4.43Å; H100-K103 HydrophobicContact CB-CG 4.46Å; H100-K103 WeakPolarHBondContact O-CB 3.36Å; H100-K103 PolarHBondContact O-N 3.13Å
101P97.3Very high96.2Very high0 Ų053.1 Ų53.10%029%0.294CS..G310 helixtrans-60.8-23.1-174.322-34.5000114.9M30 S32 I49 Y78 I80 K103 V104M30-P101 HydrophobicContact CB-CG 3.88Å; M30-P101 HydrophobicContact CE-CG 4.02Å; M30-P101 HydrophobicContact CG-CG 4.05Å; S32-P101 WeakPolarHBondContact CB-O 3.37Å; S32-P101 VanDerWaalsContact OG-CB 3.26Å; S32-P101 WeakPolarHBondContact OG-CB 3.31Å; S32-P101 PolarHBondContact OG-O 3.46Å; I49-P101 HydrophobicContact CG2-CB 4.23Å; Y78-P101 WeakPolarHBondContact O-CD 3.41Å; I80-P101 HydrophobicContact CG2-CB 4.44Å; P101-K103 PolarHBondContact O-N 3.25Å; P101-V104 VanDerWaalsContact O-CG2 3.23Å; P101-V104 WeakPolarHBondContact O-CG2 3.49Å; P101-V104 PolarHBondContact O-N 3.08Å
102S97.4Very high96.2Very high66 Ų6650 Ų5046%0.46228%0.277SS..G310 helixtrans-72.9-15.2174.972.10000114.1H100 V104H100-S102 PolarHBondContact CE1-OG 3.03Å; H100-S102 VanDerWaalsContact CE1-OG 3.31Å; H100-S102 WeakPolarHBondContact ND1-CB 3.41Å; H100-S102 PolarHBondContact ND1-N 3.24Å; H100-S102 VanDerWaalsContact ND1-N 3.2Å; H100-S102 PolarHBondContact ND1-OG 2.93Å; H100-S102 PolarHBondContact O-N 3.15Å; H100-S102 VanDerWaalsContact O-N 3.08Å; S102-V104 VanDerWaalsContact C-N 3.34Å
103K96.7Very high96.4Very high99 Ų9955 Ų5543%0.4328%0.283SS..G310 helixtrans-93.26.1178.7-61-178-177.3-179.30112.7V58 R59 I99 H100 P101V58-K103 WeakPolarHBondContact CG2-O 3.47Å; V58-K103 PolarHBondContact N-O 3.22Å; R59-K103 HydrophobicContact CB-CB 4.2Å; R59-K103 HydrophobicContact CB-CG 4.33Å; R59-K103 PolarHBondContact N-O 3.22Å; I99-K103 HydrophobicContact CG2-CB 4.27Å; H100-K103 HydrophobicContact CB-CD 4.43Å; H100-K103 HydrophobicContact CB-CG 4.46Å; H100-K103 WeakPolarHBondContact O-CB 3.36Å; H100-K103 PolarHBondContact O-N 3.13Å; P101-K103 PolarHBondContact O-N 3.25Å
104V96.6Very high96.4Very high0 Ų056.3 Ų56.30%029%0.288CS..EExtended strand (participates in β ladder)trans-122.8157.7177.1-53.60000110.9P33 I49 V55 Q56 V57 I80 I82 I99 P101 S102P33-V104 WeakPolarHBondContact CD-O 3.33Å; P33-V104 WeakPolarHBondContact CG-O 3.4Å; I49-V104 HydrophobicContact CD1-CG2 3.96Å; V55-V104 HydrophobicContact CB-CB 4.31Å; V55-V104 HydrophobicContact CB-CG2 4.34Å; V55-V104 HydrophobicContact CG1-CG2 4.35Å; Q56-V104 CarbonylContact O-C 3.52Å; Q56-V104 VanDerWaalsContact O-CA 3.25Å; Q56-V104 WeakPolarHBondContact O-CA 3.49Å; Q56-V104 WeakPolarHBondContact O-CB 3.3Å; V57-V104 HydrophobicContact CG2-CG1 4.12Å; I80-V104 HydrophobicContact CD1-CB 4.49Å; I80-V104 HydrophobicContact CD1-CG1 4Å; I80-V104 HydrophobicContact CD1-CG2 3.71Å; I82-V104 HydrophobicContact CD1-CG1 4.05Å; I99-V104 HydrophobicContact CG2-CG1 3.66Å; P101-V104 VanDerWaalsContact O-CG2 3.23Å; P101-V104 WeakPolarHBondContact O-CG2 3.49Å; P101-V104 PolarHBondContact O-N 3.08Å; S102-V104 VanDerWaalsContact C-N 3.34Å
105V96.9Very high96.3Very high25 Ų2553 Ų5315%0.15227%0.267CS..EExtended strand (participates in β ladder)trans-118.4132.3172.9174.70000108.2P33 V55 Q56 V58P33-V105 HydrophobicContact CG-CG2 4.02Å; P33-V105 WeakPolarHBondContact O-CA 3.32Å; V55-V105 CarbonylContact C-O 3.57Å; V55-V105 VanDerWaalsContact CA-O 3.3Å; V55-V105 WeakPolarHBondContact CA-O 3.39Å; Q56-V105 PolarHBondContact N-O 2.94Å; Q56-V105 PolarHBondContact O-N 3.29Å; V58-V105 HydrophobicContact CB-CG2 4.46Å; V58-V105 HydrophobicContact CG1-CB 4.16Å; V58-V105 HydrophobicContact CG1-CG2 3.52Å; V58-V105 HydrophobicContact CG2-CG2 4.11Å
106I97.3Very high96.3Very high0 Ų056.5 Ų56.50%028%0.279CS..EExtended strand (participates in β ladder)trans-78.1125.2174.9-53.7179.3000108.6P33 L34 S35 L38 M47 D53 E54 V55 R108 L109P33-I106 PolarHBondContact O-N 3.46Å; L34-I106 HydrophobicContact CD2-CB 3.92Å; L34-I106 HydrophobicContact CD2-CD1 4.03Å; L34-I106 HydrophobicContact CD2-CG1 4.4Å; L34-I106 HydrophobicContact CD2-CG2 4.36Å; S35-I106 WeakPolarHBondContact CB-O 3.42Å; S35-I106 PolarHBondContact N-O 3.03Å; L38-I106 HydrophobicContact CD1-CG2 4.3Å; M47-I106 HydrophobicContact CB-CD1 4.39Å; D53-I106 HydrophobicContact CB-CG2 4.4Å; E54-I106 WeakPolarHBondContact O-CG2 3.37Å; V55-I106 HydrophobicContact CG1-CG1 4.1Å; I106-R108 WeakPolarHBondContact CG2-O 3.44Å; I106-L109 HydrophobicContact CD1-CD2 4.08Å; I106-L109 HydrophobicContact CG2-CD2 3.69Å; I106-L109 HydrophobicContact CG2-CG 4.1Å
107T95.6Very high96.4Very high30 Ų3058.5 Ų58.518%0.18429%0.287CS..EExtended strand (participates in β ladder)trans-98.7-38.7177.751.50000111.4L38 E54 Q56 I67L38-T107 WeakPolarHBondContact CD1-O 3.44Å; E54-T107 PolarHBondContact O-N 3.33Å; E54-T107 PolarHBondContact O-OG1 2.92Å; Q56-T107 HydrophobicContact CB-CG2 4.12Å; I67-T107 HydrophobicContact CD1-CG2 3.98Å; I67-T107 HydrophobicContact CG1-CG2 4.16Å; I67-T107 WeakPolarHBondContact CG2-OG1 3.28Å
108R95.9Very high96.4Very high162 Ų16258.2 Ų58.261%0.61128%0.284SS*.EExtended strand (participates in β ladder)trans-133.5133.5174.6-164-175.5178.2176.82.5110.9E54 I106E54-R108 HydrophobicContact CB-CB 3.82Å; E54-R108 HydrophobicContact CG-CB 4.06Å; E54-R108 PolarHBondContact N-O 3.21Å; E54-R108 PolarHBondContact O-N 3Å; E54-R108 VanDerWaalsContact OE1-CD 3.3Å; E54-R108 WeakPolarHBondContact OE1-CD 3.47Å; E54-R108 IonicContact OE1-NH1 3.03Å; E54-R108 PolarHBondContact OE1-NH1 2.81Å; E54-R108 WeakPolarHBondContact OE2-CB 3.27Å; E54-R108 WeakPolarHBondContact OE2-CD 3.32Å; I106-R108 WeakPolarHBondContact CG2-O 3.44Å
109L96.1Very high96.4Very high16 Ų1656.8 Ų56.88%0.08427%0.268CS..  trans-94.3134.2178.4-68.5165.9000110.6L34 L38 Y42 M47 D53 I106 L111 L119L34-L109 HydrophobicContact CD1-CD1 4.44Å; L34-L109 HydrophobicContact CD2-CD1 4.16Å; L34-L109 HydrophobicContact CD2-CD2 3.89Å; L34-L109 HydrophobicContact CD2-CG 4.32Å; L38-L109 HydrophobicContact CD1-CD1 4.23Å; L38-L109 HydrophobicContact CD1-CG 4.02Å; Y42-L109 HydrophobicContact CD2-CD1 4.3Å; Y42-L109 HydrophobicContact CE2-CD1 4.17Å; M47-L109 HydrophobicContact CB-CD2 4.41Å; D53-L109 WeakPolarHBondContact OD1-CA 2.94Å; I106-L109 HydrophobicContact CD1-CD2 4.08Å; I106-L109 HydrophobicContact CG2-CD2 3.69Å; I106-L109 HydrophobicContact CG2-CG 4.1Å; L109-L111 HydrophobicContact CB-CD2 4.15Å; L109-L111 HydrophobicContact CB-CG 4.49Å; L109-L111 PolarHBondContact O-N 3.17Å; L109-L119 HydrophobicContact CD1-CD1 4.23Å
110K96Very high96.3Very high92 Ų9261.9 Ų61.940%0.429%0.292SS..  trans-74.6104.3162174.2165.6175.2-178.10109.2D52 D53 R115D52-K110 HydrophobicContact CB-CD 3.62Å; D52-K110 IonicContact OD2-NZ 2.66Å; D52-K110 PolarHBondContact OD2-NZ 2.88Å; D53-K110 PolarHBondContact OD1-N 3.4Å; K110-R115 WeakPolarHBondContact O-CD 3.49Å; K110-R115 PolarHBondContact O-NE 2.93Å
111L95.7Very high96.3Very high72 Ų7266.9 Ų66.938%0.37731%0.308SS..  trans-84.5130.8-178.1-64.9175.2000111.3L109 L119L109-L111 HydrophobicContact CB-CD2 4.15Å; L109-L111 HydrophobicContact CB-CG 4.49Å; L109-L111 PolarHBondContact O-N 3.17Å; L111-L119 HydrophobicContact CD2-CD1 3.86Å
112D95.7Very high96.2Very high43 Ų4370 Ų7023%0.2332%0.322CS..  trans-129.6172.716860.821.7000108.7R50 D114 R115 K116R50-D112 IonicContact CZ-OD2 2.66Å; R50-D112 IonicContact NE-OD2 3.22Å; R50-D112 IonicContact NH1-OD2 3.89Å; R50-D112 PolarHBondContact NH1-OD2 2.97Å; D112-D114 VanDerWaalsContact C-N 3.26Å; D112-D114 PolarHBondContact O-N 3.11Å; D112-D114 PolarHBondContact OD1-N 2.91Å; D112-R115 PolarHBondContact O-N 3.45Å; D112-R115 WeakPolarHBondContact OD1-CA 3.36Å; D112-R115 WeakPolarHBondContact OD1-CB 3.5Å; D112-R115 PolarHBondContact OD1-N 2.9Å; D112-K116 WeakPolarHBondContact O-CG 3.33Å; D112-K116 PolarHBondContact O-N 3.25Å; D112-K116 VanDerWaalsContact O-N 3.08Å
113K97.4Very high96Very high158 Ų15868 Ų6869%0.68731%0.309SS*.Hα-helixtrans-53.3-43.3-180-176.9178.2-179.9177.10111.9K117K113-K117 WeakPolarHBondContact O-CG 3.22Å; K113-K117 PolarHBondContact O-N 3.48Å
114D95.6Very high95.9Very high93 Ų9370.9 Ų70.950%0.49732%0.321SS..Hα-helixtrans-76.3-33.4-175.8-64.7-31.6000113.2D112 K117 I118D112-D114 VanDerWaalsContact C-N 3.26Å; D112-D114 PolarHBondContact O-N 3.11Å; D112-D114 PolarHBondContact OD1-N 2.91Å; D114-K117 WeakPolarHBondContact O-CB 3.42Å; D114-K117 PolarHBondContact O-N 2.86Å; D114-I118 VanDerWaalsContact O-CG1 3.23Å; D114-I118 WeakPolarHBondContact O-CG1 3.44Å; D114-I118 PolarHBondContact O-N 3.43Å
115R95.5Very high95.7Very high4 Ų475 Ų752%0.01535%0.35CS..Hα-helixtrans-72.7-35.2178.7-165178.4-171.689.4-12110.6M47 P48 D53 K110 D112 I118 L119M47-R115 HydrophobicContact CE-CG 3.51Å; P48-R115 PolarHBondContact O-NH1 3.21Å; P48-R115 PolarHBondContact O-NH2 3.36Å; D53-R115 IonicContact OD1-CZ 2.76Å; D53-R115 IonicContact OD1-NE 3.57Å; D53-R115 IonicContact OD1-NH2 3.98Å; D53-R115 PolarHBondContact OD1-NH2 2.84Å; D53-R115 IonicContact OD2-CZ 3.92Å; D53-R115 IonicContact OD2-NH1 3.36Å; D53-R115 IonicContact OD2-NH2 3.62Å; D53-R115 PolarHBondContact OD2-NH2 3.21Å; K110-R115 WeakPolarHBondContact O-CD 3.49Å; K110-R115 PolarHBondContact O-NE 2.93Å; D112-R115 PolarHBondContact O-N 3.45Å; D112-R115 WeakPolarHBondContact OD1-CA 3.36Å; D112-R115 WeakPolarHBondContact OD1-CB 3.5Å; D112-R115 PolarHBondContact OD1-N 2.9Å; R115-I118 PolarHBondContact O-N 3.38Å; R115-L119 VanDerWaalsContact O-CG 3.31Å; R115-L119 WeakPolarHBondContact O-CG 3.38Å; R115-L119 PolarHBondContact O-N 2.92Å
116K96.1Very high95.4Very high111 Ų11178.6 Ų78.648%0.48336%0.361SS..Hα-helixtrans-58.4-51.8168.1-71.5-177.6179.8-175.50110.8D112 I118 L119 E120D112-K116 WeakPolarHBondContact O-CG 3.33Å; D112-K116 PolarHBondContact O-N 3.25Å; D112-K116 VanDerWaalsContact O-N 3.08Å; K116-I118 VanDerWaalsContact C-N 3.3Å; K116-I118 PolarHBondContact O-N 3.13Å; K116-L119 WeakPolarHBondContact O-CB 3.5Å; K116-L119 PolarHBondContact O-N 3.13Å; K116-E120 WeakPolarHBondContact O-CG 3.47Å; K116-E120 PolarHBondContact O-N 3.11Å
117K96.8Very high95Very high112 Ų11280.4 Ų80.449%0.48738%0.376SS..Hα-helixtrans-55.4-41174.5-69.8176.3177.1-173.60113.3K113 D114 R121K113-K117 WeakPolarHBondContact O-CG 3.22Å; K113-K117 PolarHBondContact O-N 3.48Å; D114-K117 WeakPolarHBondContact O-CB 3.42Å; D114-K117 PolarHBondContact O-N 2.86Å; K117-R121 VanDerWaalsContact O-CB 3.3Å; K117-R121 WeakPolarHBondContact O-CB 3.22Å; K117-R121 PolarHBondContact O-N 3.07Å
118I95.8Very high94.7Very high23 Ų2383.3 Ų83.312%0.11839%0.393CS..Hα-helixtrans-66.4-41.1177.4-69.3164.7000111.3M47 D114 R115 K116 K122M47-I118 HydrophobicContact CE-CB 4.35Å; M47-I118 HydrophobicContact CE-CG2 3.85Å; M47-I118 HydrophobicContact SD-CG2 3.94Å; D114-I118 VanDerWaalsContact O-CG1 3.23Å; D114-I118 WeakPolarHBondContact O-CG1 3.44Å; D114-I118 PolarHBondContact O-N 3.43Å; R115-I118 PolarHBondContact O-N 3.38Å; K116-I118 VanDerWaalsContact C-N 3.3Å; K116-I118 PolarHBondContact O-N 3.13Å; I118-K122 HydrophobicContact CG2-CD 4.36Å; I118-K122 WeakPolarHBondContact O-CB 3.37Å; I118-K122 WeakPolarHBondContact O-CG 3.49Å; I118-K122 PolarHBondContact O-N 3.24Å
119L95.9Very high94.3Very high7 Ų778 Ų784%0.03739%0.389CS..Hα-helixtrans-63.6-50.2177.8-75.2167.2000110.7Y42 V44 M47 L109 L111 R115 K116 R121 K122 A123Y42-L119 HydrophobicContact CD1-CD1 4.01Å; Y42-L119 HydrophobicContact CE1-CD1 4.14Å; Y42-L119 HydrophobicContact CG-CD1 4.27Å; Y42-L119 HydrophobicContact CG-CD2 4.34Å; V44-L119 HydrophobicContact CB-CD2 4.25Å; V44-L119 HydrophobicContact CG1-CD2 4.49Å; V44-L119 HydrophobicContact CG2-CD2 4.17Å; M47-L119 HydrophobicContact CE-CD2 3.93Å; M47-L119 HydrophobicContact CE-CG 3.91Å; M47-L119 HydrophobicContact CG-CD2 3.82Å; M47-L119 HydrophobicContact SD-CD2 3.69Å; M47-L119 HydrophobicContact SD-CG 4.26Å; L109-L119 HydrophobicContact CD1-CD1 4.23Å; L111-L119 HydrophobicContact CD2-CD1 3.86Å; R115-L119 VanDerWaalsContact O-CG 3.31Å; R115-L119 WeakPolarHBondContact O-CG 3.38Å; R115-L119 PolarHBondContact O-N 2.92Å; K116-L119 WeakPolarHBondContact O-CB 3.5Å; K116-L119 PolarHBondContact O-N 3.13Å; L119-R121 PolarHBondContact O-N 3.46Å; L119-K122 PolarHBondContact O-N 3.35Å; L119-A123 WeakPolarHBondContact O-CB 3.44Å; L119-A123 PolarHBondContact O-N 3.29Å
120E95.8Very high93.8Very high123 Ų12382.4 Ų82.458%0.57541%0.407SS*.Hα-helixtrans-57-49.3177.4-72.7162.3-157.600111.6K116 K122 A123 K124K116-E120 WeakPolarHBondContact O-CG 3.47Å; K116-E120 PolarHBondContact O-N 3.11Å; E120-K122 VanDerWaalsContact C-N 3.34Å; E120-K122 PolarHBondContact O-N 3.28Å; E120-A123 PolarHBondContact O-N 2.78Å; E120-K124 WeakPolarHBondContact O-CB 3.11Å; E120-K124 PolarHBondContact O-N 2.99Å
121R96.1Very high93.2Very high169 Ų16982.2 Ų82.264%0.63841%0.41SS*.Hα-helixtrans-58.9-43.7177.6-177.9-17961.3-172.5-6112.2K117 L119 S125K117-R121 VanDerWaalsContact O-CB 3.3Å; K117-R121 WeakPolarHBondContact O-CB 3.22Å; K117-R121 PolarHBondContact O-N 3.07Å; L119-R121 PolarHBondContact O-N 3.46Å; R121-S125 WeakPolarHBondContact O-CB 3.07Å; R121-S125 PolarHBondContact O-N 3.08Å; R121-S125 VanDerWaalsContact O-N 3.11Å
122K95Very high92.5Very high66 Ų6687.4 Ų87.429%0.28743%0.43SS..Hα-helixtrans-68.4-38.2178.4-78.5-171.1175.4-160.90111.9V44 S46 M47 I118 L119 E120 R126V44-K122 HydrophobicContact CG1-CB 4.18Å; V44-K122 HydrophobicContact CG1-CD 3.72Å; V44-K122 HydrophobicContact CG2-CB 3.61Å; S46-K122 PolarHBondContact O-NZ 2.98Å; M47-K122 HydrophobicContact SD-CD 4.17Å; I118-K122 HydrophobicContact CG2-CD 4.36Å; I118-K122 WeakPolarHBondContact O-CB 3.37Å; I118-K122 WeakPolarHBondContact O-CG 3.49Å; I118-K122 PolarHBondContact O-N 3.24Å; L119-K122 PolarHBondContact O-N 3.35Å; E120-K122 VanDerWaalsContact C-N 3.34Å; E120-K122 PolarHBondContact O-N 3.28Å; K122-R126 WeakPolarHBondContact O-CB 3.48Å; K122-R126 PolarHBondContact O-N 2.9Å; K122-R126 VanDerWaalsContact O-N 3.13Å
123A94.7Very high91.4Very high23 Ų2388.8 Ų88.819%0.1945%0.454CS..Hα-helixtrans-65-47.7177.700000111.1Y42 V44 L119 E120 S125 R126 A127Y42-A123 WeakPolarHBondContact O-CB 3.45Å; V44-A123 HydrophobicContact CG2-CB 4.29Å; L119-A123 WeakPolarHBondContact O-CB 3.44Å; L119-A123 PolarHBondContact O-N 3.29Å; E120-A123 PolarHBondContact O-N 2.78Å; A123-S125 PolarHBondContact O-N 3.15Å; A123-R126 PolarHBondContact O-N 2.86Å; A123-R126 VanDerWaalsContact O-N 3.13Å; A123-A127 PolarHBondContact O-N 3.2Å
124K94.1Very high90.6Very high159 Ų15988.1 Ų88.169%0.69145%0.451SS*.Hα-helixtrans-58.5-48.5176.5-172.4174.9-177.4175.70111.9E120 R126 A127 V128E120-K124 WeakPolarHBondContact O-CB 3.11Å; E120-K124 PolarHBondContact O-N 2.99Å; K124-R126 PolarHBondContact O-N 2.91Å; K124-A127 PolarHBondContact O-N 2.99Å; K124-A127 VanDerWaalsContact O-N 3.15Å; K124-V128 WeakPolarHBondContact O-CG2 3.47Å; K124-V128 PolarHBondContact O-N 3.04Å; K124-V128 VanDerWaalsContact O-N 3.08Å
125S92.3Very high89.3Confident87 Ų8792 Ų9261%0.60846%0.46SS*.Hα-helixtrans-58.2-35.5176.91730000112.6R121 A123 G129R121-S125 WeakPolarHBondContact O-CB 3.07Å; R121-S125 PolarHBondContact O-N 3.08Å; R121-S125 VanDerWaalsContact O-N 3.11Å; A123-S125 PolarHBondContact O-N 3.15Å; S125-G129 PolarHBondContact O-N 2.95Å
126R89.4Confident88.4Confident101 Ų10198.1 Ų98.138%0.38149%0.487SS..Hα-helixtrans-74.4-37.1177.4-165.9-177.8-175.5-175.8-4.9112.7N43 K122 A123 K124 G129 K130N43-R126 WeakPolarHBondContact O-CD 3.26Å; N43-R126 PolarHBondContact O-NH1 3.01Å; K122-R126 WeakPolarHBondContact O-CB 3.48Å; K122-R126 PolarHBondContact O-N 2.9Å; K122-R126 VanDerWaalsContact O-N 3.13Å; A123-R126 PolarHBondContact O-N 2.86Å; A123-R126 VanDerWaalsContact O-N 3.13Å; K124-R126 PolarHBondContact O-N 2.91Å; R126-G129 PolarHBondContact O-N 3.11Å; R126-K130 PolarHBondContact O-N 3.35Å; R126-K130 VanDerWaalsContact O-N 3.11Å
127A89.2Confident87.1Confident37 Ų37100.5 Ų100.531%0.30650%0.5SS..Hα-helixtrans-61.3-50.8176.100000110.9A123 K124 G129 K130 D131A123-A127 PolarHBondContact O-N 3.2Å; K124-A127 PolarHBondContact O-N 2.99Å; K124-A127 VanDerWaalsContact O-N 3.15Å; A127-G129 PolarHBondContact O-N 3.18Å; A127-K130 WeakPolarHBondContact O-CA 3.46Å; A127-K130 WeakPolarHBondContact O-CB 3.4Å; A127-K130 PolarHBondContact O-N 3.12Å; A127-D131 PolarHBondContact O-N 3.41Å; A127-D131 VanDerWaalsContact O-N 3.12Å
128V90.1Very high85.7Confident92 Ų92101.7 Ų101.756%0.55851%0.507SS*.Hα-helixtrans-54.5-41175.11760000111.8K124 K130 D131 K132K124-V128 WeakPolarHBondContact O-CG2 3.47Å; K124-V128 PolarHBondContact O-N 3.04Å; K124-V128 VanDerWaalsContact O-N 3.08Å; V128-K130 VanDerWaalsContact C-N 3.32Å; V128-K130 PolarHBondContact O-N 3.39Å; V128-D131 PolarHBondContact O-N 3.44Å; V128-K132 WeakPolarHBondContact O-CB 3.43Å; V128-K132 PolarHBondContact O-N 2.87Å
129G87.4Confident84.4Confident50 Ų50103.8 Ų103.852%0.51552%0.521SS..Hα-helixtrans-69-23.4176.600000114.9S125 R126 A127S125-G129 PolarHBondContact O-N 2.95Å; R126-G129 PolarHBondContact O-N 3.11Å; A127-G129 PolarHBondContact O-N 3.18Å
130K84.9Confident83.3Confident109 Ų109106.9 Ų106.947%0.47454%0.537SS..Hα-helixtrans-79.6-31.9174.1-75.8-174.2178.3-174.20112.4R126 A127 V128 K134R126-K130 PolarHBondContact O-N 3.35Å; R126-K130 VanDerWaalsContact O-N 3.11Å; A127-K130 WeakPolarHBondContact O-CA 3.46Å; A127-K130 WeakPolarHBondContact O-CB 3.4Å; A127-K130 PolarHBondContact O-N 3.12Å; V128-K130 VanDerWaalsContact C-N 3.32Å; V128-K130 PolarHBondContact O-N 3.39Å; K130-K134 WeakPolarHBondContact O-CE 3.45Å
131D84.1Confident82.2Confident87 Ų87107.2 Ų107.247%0.46554%0.538SS..Hα-helixtrans-81.2-28.8-179.8-58.8-29000111.1A127 V128 G133 K134A127-D131 PolarHBondContact O-N 3.41Å; A127-D131 VanDerWaalsContact O-N 3.12Å; V128-D131 PolarHBondContact O-N 3.44Å; D131-G133 PolarHBondContact O-N 3.03Å; D131-K134 PolarHBondContact O-N 3.07Å
132K81.6Confident81Confident182 Ų182107 Ų10779%0.79154%0.542SS*.THydrogen-bonded Turntrans-61.3111.6174.5-168.3173.5-175.1175.10110.7V128V128-K132 WeakPolarHBondContact O-CB 3.43Å; V128-K132 PolarHBondContact O-N 2.87Å
133G72Confident79.5Confident71 Ų71110.6 Ų110.673%0.73256%0.562SS**THydrogen-bonded Turntrans99.32.5-179.100000114.7D131D131-G133 PolarHBondContact O-N 3.03Å
134K80.1Confident78Confident145 Ų145117 Ų11763%0.6359%0.588SS**PPolyproline II helixtrans-101.1122.9166-62.9-174.2177.9-167.80108.8K130 D131K130-K134 WeakPolarHBondContact O-CE 3.45Å; D131-K134 PolarHBondContact O-N 3.07Å
135Y68.9Low76.1Confident174 Ų174120.1 Ų120.168%0.68261%0.605SS**PPolyproline II helixtrans-84124.8168.6-56.6-78.7000107.8
136K75.3Confident75.3Confident133 Ų133121.8 Ų121.858%0.57860%0.604SS**PPolyproline II helixtrans-85.7155.4167.5-63.2-176.9178.5-176.60108.8E138 T139 I140K136-E138 PolarHBondContact O-N 2.86Å; K136-T139 WeakPolarHBondContact CA-OG1 3.39Å; K136-T139 PolarHBondContact N-OG1 3.25Å; K136-T139 WeakPolarHBondContact O-CA 3.43Å; K136-T139 WeakPolarHBondContact O-CB 3.5Å; K136-T139 PolarHBondContact O-N 2.86Å; K136-T139 PolarHBondContact O-OG1 3.03Å; K136-I140 PolarHBondContact O-N 3.16Å; K136-I140 VanDerWaalsContact O-N 3.11Å
137E69.1Low74.6Confident161 Ų161122.9 Ų122.975%0.75262%0.616SS**Hα-helixtrans-51.6-44.2178.5-71.6167.4171.600111.7T139 I140 E141E137-T139 VanDerWaalsContact C-N 3.25Å; E137-T139 PolarHBondContact O-N 3.44Å; E137-T139 VanDerWaalsContact O-N 3.16Å; E137-I140 WeakPolarHBondContact O-CA 3.49Å; E137-I140 WeakPolarHBondContact O-CB 3.3Å; E137-I140 PolarHBondContact O-N 3.47Å; E137-E141 PolarHBondContact O-N 2.65Å
138E68.9Low73.8Confident137 Ų137127.7 Ų127.764%0.6463%0.634SS**Hα-helixtrans-58.6-29.1174.1-62.1174.7165.300114.8K136 K142K136-E138 PolarHBondContact O-N 2.86Å; E138-K142 WeakPolarHBondContact O-CB 3.49Å; E138-K142 WeakPolarHBondContact O-CG 3.5Å; E138-K142 PolarHBondContact O-N 3.16Å
139T67.5Low72.8Confident66 Ų66129.8 Ų129.841%0.40564%0.638SS.*Hα-helixtrans-84.5-21.117525.20000112.8K136 E137 M143K136-T139 WeakPolarHBondContact CA-OG1 3.39Å; K136-T139 PolarHBondContact N-OG1 3.25Å; K136-T139 WeakPolarHBondContact O-CA 3.43Å; K136-T139 WeakPolarHBondContact O-CB 3.5Å; K136-T139 PolarHBondContact O-N 2.86Å; K136-T139 PolarHBondContact O-OG1 3.03Å; E137-T139 VanDerWaalsContact C-N 3.25Å; E137-T139 PolarHBondContact O-N 3.44Å; E137-T139 VanDerWaalsContact O-N 3.16Å; T139-M143 VanDerWaalsContact O-CG 3.3Å; T139-M143 WeakPolarHBondContact O-CG 3.43Å
140I71.8Confident71.9Confident73 Ų73134.8 Ų134.837%0.37465%0.646SS.*Hα-helixtrans-81.5-44.1176.1-62.7169.5000109K136 E137 K142 M143 Q144K136-I140 PolarHBondContact O-N 3.16Å; K136-I140 VanDerWaalsContact O-N 3.11Å; E137-I140 WeakPolarHBondContact O-CA 3.49Å; E137-I140 WeakPolarHBondContact O-CB 3.3Å; E137-I140 PolarHBondContact O-N 3.47Å; I140-K142 PolarHBondContact O-N 2.93Å; I140-M143 PolarHBondContact O-N 3.11Å; I140-Q144 WeakPolarHBondContact O-CG 3.48Å; I140-Q144 PolarHBondContact O-N 3.25Å
141E73.4Confident71Confident129 Ų129136.5 Ų136.560%0.60366%0.657SS**Hα-helixtrans-58.8-45.6175.3-71.5174.4167.800111.5E137 M143 Q144 E145E137-E141 PolarHBondContact O-N 2.65Å; E141-M143 PolarHBondContact O-N 2.91Å; E141-M143 VanDerWaalsContact O-N 3.16Å; E141-Q144 PolarHBondContact O-N 3.27Å; E141-E145 PolarHBondContact O-N 3.02Å
142K70.6Confident70.1Confident165 Ų165140 Ų14072%0.71767%0.671SS**Hα-helixtrans-67.4-9.8174.5-77.3-178.8177.3177.50115.6E138 I140E138-K142 WeakPolarHBondContact O-CB 3.49Å; E138-K142 WeakPolarHBondContact O-CG 3.5Å; E138-K142 PolarHBondContact O-N 3.16Å; I140-K142 PolarHBondContact O-N 2.93Å
143M64.8Low69.2Low142 Ų142136.8 Ų136.870%0.766%0.662SS**Hα-helixtrans-97.4-10.7172.4-76.6-173.964.300112.4T139 I140 E141T139-M143 VanDerWaalsContact O-CG 3.3Å; T139-M143 WeakPolarHBondContact O-CG 3.43Å; I140-M143 PolarHBondContact O-N 3.11Å; E141-M143 PolarHBondContact O-N 2.91Å; E141-M143 VanDerWaalsContact O-N 3.16Å
144Q63Low69Low158 Ų158142.3 Ų142.374%0.73866%0.656SS**Hα-helixtrans-100.2-15.6179.9-71.9178.8-23.300113.1I140 E141I140-Q144 WeakPolarHBondContact O-CG 3.48Å; I140-Q144 PolarHBondContact O-N 3.25Å; E141-Q144 PolarHBondContact O-N 3.27Å
145E54.3Low67.9Low224 Ų224142 Ų142100%1.04766%0.658SS**  trans-85.50165.4-139.4176.8-164.200110.9E141E141-E145 PolarHBondContact O-N 3.02Å

Retrieved 145 of 145 residues in 30.7 ms (Link to these results)

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