A0A6J1US31_9SAUR Loading...

Splicing factor 3B subunit 6

AlphaFold DB , UniProt , Accession A0A6J1US31, Species 9SAUR (Notechis scutatus, mainland tiger snake), Gene SF3B6, Length 115 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
1I69.5Low89.9Confident201 Ų20186.5 Ų86.5100%1.03142%0.415SS*.  0126.30-61.8172.6000107.4
2R83.4Confident90.6Very high242 Ų24284 Ų8491%0.91340%0.399SS*.PPolyproline II helixtrans-86.8122.9-179.4-171.1176-178178.90.8109.1
3L88.4Confident91.1Very high45 Ų4577.5 Ų77.524%0.23637%0.368CS..PPolyproline II helixtrans-79.1139177.1-69.3172.6000110.5V7 I57 F58 K61L3-V7 HydrophobicContact CB-CB 4.47Å; L3-V7 HydrophobicContact CD1-CG1 4.48Å; L3-V7 HydrophobicContact CD2-CG1 4.4Å; L3-I57 HydrophobicContact CD1-CB 4.42Å; L3-I57 HydrophobicContact CD1-CD1 3.88Å; L3-I57 HydrophobicContact CD1-CG1 3.96Å; L3-I57 HydrophobicContact CD1-CG2 3.62Å; L3-F58 HydrophobicContact CD1-CD1 4.15Å; L3-F58 HydrophobicContact CD1-CE1 3.7Å; L3-F58 HydrophobicContact CD1-CZ 4.02Å; L3-F58 HydrophobicContact CD2-CD1 4.03Å; L3-F58 HydrophobicContact CD2-CE1 3.82Å; L3-F58 HydrophobicContact CG-CD1 4.43Å; L3-F58 HydrophobicContact CG-CE1 3.82Å; L3-F58 HydrophobicContact CG-CZ 4.43Å; L3-K61 HydrophobicContact CD2-CD 3.72Å
4P89.9Confident91.5Very high52 Ų5281.2 Ų81.234%0.33838%0.377SS..PPolyproline II helixtrans-58.1148.8168.9-23.432.5000112.1E6 V7P4-E6 HydrophobicContact CB-CG 4.22Å; P4-E6 WeakPolarHBondContact CB-OE1 3.23Å; P4-E6 VanDerWaalsContact CB-OE2 3.3Å; P4-E6 WeakPolarHBondContact CB-OE2 3.44Å; P4-E6 PolarHBondContact O-N 3.11Å; P4-E6 VanDerWaalsContact O-N 3.16Å; P4-V7 HydrophobicContact CB-CG2 4.14Å; P4-V7 HydrophobicContact CG-CG2 4.2Å; P4-V7 WeakPolarHBondContact O-CB 3.15Å; P4-V7 PolarHBondContact O-N 3.31Å; P4-V7 VanDerWaalsContact O-N 3.1Å
5P88Confident91.8Very high89 Ų8980 Ų8058%0.57837%0.374SS*.THydrogen-bonded Turntrans-65.6-17.1-175.627.6-36.2000114.4
6E88.1Confident92Very high94 Ų9475.1 Ų75.144%0.43935%0.351SS..THydrogen-bonded Turntrans-79.9-17.4175.762.9-87.8-161.700113.8P4 N8 Y81P4-E6 HydrophobicContact CB-CG 4.22Å; P4-E6 WeakPolarHBondContact CB-OE1 3.23Å; P4-E6 VanDerWaalsContact CB-OE2 3.3Å; P4-E6 WeakPolarHBondContact CB-OE2 3.44Å; P4-E6 PolarHBondContact O-N 3.11Å; P4-E6 VanDerWaalsContact O-N 3.16Å; E6-N8 PolarHBondContact O-N 2.99Å; E6-Y81 WeakPolarHBondContact O-CB 3.46Å
7V93.9Very high92.1Very high15 Ų1571.5 Ų71.59%0.09134%0.336CS..  trans-67.6130.8-178.4-178.50000109.5L3 P4 I57 K61 Y81L3-V7 HydrophobicContact CB-CB 4.47Å; L3-V7 HydrophobicContact CD1-CG1 4.48Å; L3-V7 HydrophobicContact CD2-CG1 4.4Å; P4-V7 HydrophobicContact CB-CG2 4.14Å; P4-V7 HydrophobicContact CG-CG2 4.2Å; P4-V7 WeakPolarHBondContact O-CB 3.15Å; P4-V7 PolarHBondContact O-N 3.31Å; P4-V7 VanDerWaalsContact O-N 3.1Å; V7-I57 HydrophobicContact CG1-CD1 4.07Å; V7-I57 HydrophobicContact CG1-CG1 3.72Å; V7-K61 HydrophobicContact CG1-CB 4.09Å; V7-Y81 HydrophobicContact CB-CE1 4.29Å; V7-Y81 HydrophobicContact CG1-CD1 4.47Å; V7-Y81 HydrophobicContact CG1-CE1 3.78Å; V7-Y81 HydrophobicContact CG2-CE2 4.17Å
8N95.3Very high92.1Very high45 Ų4575 Ų7524%0.24135%0.347CS..  trans-138.4149.4-178.1-158.7-58.5000110.4E6 I10 A60 Y81E6-N8 PolarHBondContact O-N 2.99Å; N8-I10 PolarHBondContact O-N 3.2Å; N8-I10 PolarHBondContact OD1-N 2.95Å; N8-A60 WeakPolarHBondContact O-CB 3.45Å; N8-Y81 HydrophobicContact CB-CD1 4.32Å; N8-Y81 VanDerWaalsContact N-CD1 3.26Å; N8-Y81 WeakPolarHBondContact O-CD1 3.4Å
9R96.9Very high92Very high121 Ų12181.1 Ų81.146%0.45737%0.372SS..SBendtrans-65.4-22.9171.3-74.3-172.7-68.7171.9-0.9113.3Y54 E55 I57R9-Y54 PolarHBondContact O-N 3.01Å; R9-E55 WeakPolarHBondContact CD-O 3.28Å; R9-E55 PolarHBondContact NH1-O 3.36Å; R9-E55 VanDerWaalsContact NH1-O 3.11Å; R9-I57 HydrophobicContact CG-CB 3.71Å; R9-I57 HydrophobicContact CG-CG1 4.17Å
10I97.8Very high92Very high48 Ų4878.2 Ų78.225%0.24636%0.359CS..EExtended strand (participates in β ladder)trans-94.4121.4178.9-50.4171.8000108.1N8 Y51 V52 V53 Y82N8-I10 PolarHBondContact O-N 3.2Å; N8-I10 PolarHBondContact OD1-N 2.95Å; I10-Y51 HydrophobicContact CG2-CD1 4.05Å; I10-V52 CarbonylContact C-O 3.57Å; I10-V52 WeakPolarHBondContact CA-O 3.16Å; I10-V53 HydrophobicContact CG1-CG1 4.09Å; I10-V53 HydrophobicContact CG1-CG2 4.11Å; I10-V53 HydrophobicContact CG2-CG2 4.24Å; I10-Y82 HydrophobicContact CB-CG 4.14Å; I10-Y82 HydrophobicContact CD1-CD1 4.47Å; I10-Y82 HydrophobicContact CD1-CG 4.46Å; I10-Y82 HydrophobicContact CG2-CD2 4.07Å; I10-Y82 HydrophobicContact CG2-CG 4.01Å; I10-Y82 WeakPolarHBondContact O-CB 3.19Å; I10-Y82 PolarHBondContact O-N 3.01Å
11L97.9Very high92Very high0 Ų077.6 Ų77.60%036%0.361CS..EExtended strand (participates in β ladder)trans-101.6138.7170.9-57-174.5000110.1I13 Y51 V52 Y54 A60 A63 C64 V79 L80 Y81L11-I13 HydrophobicContact CB-CD1 3.89Å; L11-Y51 CarbonylContact O-C 3.5Å; L11-Y51 VanDerWaalsContact O-CA 3.29Å; L11-Y51 WeakPolarHBondContact O-CA 2.94Å; L11-V52 PolarHBondContact N-O 3.01Å; L11-V52 PolarHBondContact O-N 3.33Å; L11-Y54 HydrophobicContact CD1-CD2 4.42Å; L11-Y54 HydrophobicContact CD1-CE2 3.76Å; L11-Y54 HydrophobicContact CG-CE2 4.31Å; L11-A60 HydrophobicContact CD2-CB 4.3Å; L11-A60 HydrophobicContact CG-CB 4.37Å; L11-A63 HydrophobicContact CD1-CB 3.93Å; L11-C64 HydrophobicContact CD1-CB 4.38Å; L11-C64 HydrophobicContact CD2-CB 4.07Å; L11-V79 HydrophobicContact CB-CG1 4.34Å; L11-V79 HydrophobicContact CD1-CG1 3.84Å; L11-L80 CarbonylContact C-O 3.53Å; L11-L80 WeakPolarHBondContact CA-O 3.2Å; L11-Y81 HydrophobicContact CD2-CD1 3.54Å; L11-Y81 HydrophobicContact CD2-CE1 3.78Å; L11-Y81 HydrophobicContact CD2-CG 4.46Å
12Y97.6Very high93Very high56 Ų5671.2 Ų71.222%0.2234%0.339CS..EExtended strand (participates in β ladder)trans-101.7118.6169.6177.4-128.2000109.6R14 T49 Y51 L80Y12-R14 HydrophobicContact CD1-CG 4.05Å; Y12-R14 HydrophobicContact CE1-CG 3.43Å; Y12-R14 VanDerWaalsContact CE1-CG 3.43Å; Y12-R14 HydrophobicContact CE2-CG 4.36Å; Y12-T49 HydrophobicContact CE2-CG2 4.24Å; Y12-Y51 AromaticContact CD2-CD1 3.96Å; Y12-Y51 HydrophobicContact CD2-CD1 3.96Å; Y12-Y51 AromaticContact CD2-CE1 3.44Å; Y12-Y51 HydrophobicContact CD2-CE1 3.44Å; Y12-Y51 VanDerWaalsContact CD2-CE1 3.44Å; Y12-Y51 HydrophobicContact CD2-CE2 4.5Å; Y12-Y51 AromaticContact CD2-CZ 3.76Å; Y12-Y51 HydrophobicContact CE2-CE1 4.31Å; Y12-Y51 HydrophobicContact CG-CD1 4.49Å; Y12-Y51 AromaticContact CG-CE1 3.92Å; Y12-Y51 HydrophobicContact CG-CE1 3.92Å; Y12-L80 HydrophobicContact CD1-CD1 4.35Å; Y12-L80 PolarHBondContact N-O 3.11Å; Y12-L80 PolarHBondContact O-N 2.8Å
13I97.3Very high93.4Very high0 Ų066.6 Ų66.60%033%0.328CS..EExtended strand (participates in β ladder)trans-104.8135.6-177.3-39.9-56.6000108.8L11 L16 F29 T49 A50 V52 V78 V79L11-I13 HydrophobicContact CB-CD1 3.89Å; I13-L16 HydrophobicContact CB-CD1 3.92Å; I13-L16 HydrophobicContact CB-CG 4.36Å; I13-L16 HydrophobicContact CG2-CD1 3.79Å; I13-L16 HydrophobicContact CG2-CD2 3.94Å; I13-L16 HydrophobicContact CG2-CG 3.69Å; I13-F29 HydrophobicContact CB-CZ 4.49Å; I13-F29 HydrophobicContact CD1-CE1 3.5Å; I13-F29 HydrophobicContact CD1-CZ 3.62Å; I13-F29 HydrophobicContact CG1-CE1 4.05Å; I13-F29 HydrophobicContact CG1-CE2 4.48Å; I13-F29 HydrophobicContact CG1-CZ 3.68Å; I13-F29 HydrophobicContact CG2-CZ 4.04Å; I13-T49 CarbonylContact O-C 3.59Å; I13-T49 WeakPolarHBondContact O-CA 3.42Å; I13-T49 WeakPolarHBondContact O-CB 3.2Å; I13-A50 HydrophobicContact CB-CB 4.36Å; I13-A50 HydrophobicContact CG1-CB 4.46Å; I13-A50 PolarHBondContact N-O 3.02Å; I13-A50 PolarHBondContact O-N 2.78Å; I13-V52 HydrophobicContact CD1-CG2 4.27Å; I13-V52 HydrophobicContact CG1-CG2 3.81Å; I13-V78 CarbonylContact C-O 3.59Å; I13-V78 WeakPolarHBondContact CA-O 3.21Å; I13-V79 HydrophobicContact CD1-CB 4.31Å; I13-V79 HydrophobicContact CD1-CG1 3.73Å; I13-V79 HydrophobicContact CD1-CG2 4.07Å
14R96.3Very high93.7Very high129 Ų12968.1 Ų68.149%0.48733%0.333SS..EExtended strand (participates in β ladder)trans-127.1167.4171.7-51.6173.563.4-172.7-5.2110.7Y12 L16 T49 V78Y12-R14 HydrophobicContact CD1-CG 4.05Å; Y12-R14 HydrophobicContact CE1-CG 3.43Å; Y12-R14 VanDerWaalsContact CE1-CG 3.43Å; Y12-R14 HydrophobicContact CE2-CG 4.36Å; R14-L16 PolarHBondContact O-N 3.04Å; R14-T49 HydrophobicContact CG-CG2 4.47Å; R14-V78 HydrophobicContact CB-CB 4.15Å; R14-V78 PolarHBondContact N-O 3.37Å; R14-V78 PolarHBondContact O-N 3.17Å
15N96Very high93.9Very high63 Ų6365.6 Ų65.634%0.33732%0.317SS..SBendtrans65.124.6-179.7-15632.4000113.3G48 R75 Y76N15-G48 PolarHBondContact N-O 2.85Å; N15-R75 PolarHBondContact O-NE 2.91Å; N15-R75 VanDerWaalsContact OD1-CZ 3.26Å; N15-R75 PolarHBondContact OD1-NE 3.48Å; N15-R75 VanDerWaalsContact OD1-NE 3.11Å; N15-R75 PolarHBondContact OD1-NH2 2.9Å; N15-Y76 PolarHBondContact ND2-O 3.11Å
16L95.5Very high94.3Very high1 Ų166.9 Ų66.91%0.00531%0.311CS..  trans-68.4139177.1-78.2165000111.2I13 R14 Y18 I20 M25 G48 A50 R75 L77I13-L16 HydrophobicContact CB-CD1 3.92Å; I13-L16 HydrophobicContact CB-CG 4.36Å; I13-L16 HydrophobicContact CG2-CD1 3.79Å; I13-L16 HydrophobicContact CG2-CD2 3.94Å; I13-L16 HydrophobicContact CG2-CG 3.69Å; R14-L16 PolarHBondContact O-N 3.04Å; L16-Y18 PolarHBondContact O-N 2.86Å; L16-I20 HydrophobicContact CD2-CD1 3.88Å; L16-M25 HydrophobicContact CD1-CE 4.04Å; L16-M25 HydrophobicContact CD1-SD 4.2Å; L16-M25 HydrophobicContact CD2-CE 4.45Å; L16-M25 HydrophobicContact CD2-SD 3.8Å; L16-G48 PolarHBondContact N-O 3.35Å; L16-G48 WeakPolarHBondContact O-CA 3.42Å; L16-A50 HydrophobicContact CD1-CB 3.43Å; L16-A50 VanDerWaalsContact CD1-CB 3.43Å; L16-R75 VanDerWaalsContact C-NH1 3.35Å; L16-R75 PolarHBondContact O-NH1 3.29Å; L16-L77 HydrophobicContact CD2-CD1 4.27Å; L16-L77 HydrophobicContact CD2-CD2 3.59Å; L16-L77 HydrophobicContact CG-CD2 4.16Å
17P93.9Very high94.6Very high14 Ų1467.1 Ų67.19%0.09132%0.316CS..  trans-51.6135.9169-24.834000111.6K19 I20 V72 C73P17-K19 PolarHBondContact O-N 2.74Å; P17-K19 VanDerWaalsContact O-N 3.14Å; P17-I20 HydrophobicContact CB-CB 4.35Å; P17-I20 VanDerWaalsContact O-CG2 3.31Å; P17-I20 WeakPolarHBondContact O-CG2 3.12Å; P17-I20 PolarHBondContact O-N 3.1Å; P17-V72 HydrophobicContact CG-CB 4.11Å; P17-V72 HydrophobicContact CG-CG1 3.86Å; P17-V72 WeakPolarHBondContact CG-O 3.38Å; P17-C73 HydrophobicContact CB-CB 4.39Å; P17-C73 HydrophobicContact CG-CB 4.03Å
18Y91.9Very high94.7Very high135 Ų13567.4 Ų67.453%0.52932%0.317SS..THydrogen-bonded Turntrans-70.6-10.1-175.6-71.4-10.7000115L16 R47L16-Y18 PolarHBondContact O-N 2.86Å; Y18-R47 HydrophobicContact CD1-CG 3.85Å; Y18-R47 HydrophobicContact CE1-CG 4.14Å; Y18-R47 HydrophobicContact CG-CG 4.22Å; Y18-R47 PolarHBondContact O-NH2 2.99Å
19K90.3Very high94.8Very high190 Ų19065.3 Ų65.383%0.82631%0.305SS*.THydrogen-bonded Turntrans-114.211.9178.9-62.1-172.2177.9-176.10112.3P17 T21P17-K19 PolarHBondContact O-N 2.74Å; P17-K19 VanDerWaalsContact O-N 3.14Å; K19-T21 PolarHBondContact O-N 3.16Å
20I92.1Very high94.8Very high24 Ų2461.1 Ų61.112%0.12330%0.3CS..  trans-62133.4179.6-162.8163.2000110.1L16 P17 E24 M25 I28 V72L16-I20 HydrophobicContact CD2-CD1 3.88Å; P17-I20 HydrophobicContact CB-CB 4.35Å; P17-I20 VanDerWaalsContact O-CG2 3.31Å; P17-I20 WeakPolarHBondContact O-CG2 3.12Å; P17-I20 PolarHBondContact O-N 3.1Å; I20-E24 WeakPolarHBondContact CA-OE2 3.47Å; I20-E24 HydrophobicContact CD1-CB 4.45Å; I20-E24 HydrophobicContact CG1-CB 3.88Å; I20-E24 WeakPolarHBondContact CG1-OE2 3.34Å; I20-M25 HydrophobicContact CD1-CG 4.16Å; I20-M25 HydrophobicContact CD1-SD 3.58Å; I20-M25 VanDerWaalsContact CD1-SD 3.58Å; I20-M25 HydrophobicContact CG1-CG 4.16Å; I20-M25 HydrophobicContact CG1-SD 4.17Å; I20-M25 HydrophobicContact CG2-CG 4.39Å; I20-M25 HydrophobicContact CG2-SD 4.21Å; I20-I28 HydrophobicContact CD1-CD1 4.24Å; I20-V72 HydrophobicContact CD1-CG1 4.29Å
21T92.1Very high94.7Very high65 Ų6567 Ų6740%0.39932%0.324SS..  trans-87163.5-179.2750000111.1K19 E23 E24 M25K19-T21 PolarHBondContact O-N 3.16Å; T21-E23 VanDerWaalsContact C-N 3.29Å; T21-E23 PolarHBondContact O-N 3.42Å; T21-E24 PolarHBondContact N-OE2 2.91Å; T21-E24 WeakPolarHBondContact OG1-CG 3.37Å; T21-E24 PolarHBondContact OG1-N 3.41Å; T21-E24 VanDerWaalsContact OG1-N 3.12Å; T21-E24 PolarHBondContact OG1-OE2 3.36Å; T21-M25 WeakPolarHBondContact O-CG 3.3Å; T21-M25 PolarHBondContact O-N 3.06Å
22A89.8Confident94.7Very high68 Ų6869.3 Ų69.356%0.56233%0.333SS*.Hα-helixtrans-62.5-40173.800000111.4M25 Y26A22-M25 WeakPolarHBondContact O-CB 3.49Å; A22-M25 PolarHBondContact O-N 2.94Å; A22-Y26 WeakPolarHBondContact O-CD2 3.31Å; A22-Y26 PolarHBondContact O-N 2.95Å
23E92.8Very high94.6Very high145 Ų14567.4 Ų67.468%0.67833%0.33SS*.Hα-helixtrans-59.5-49177.8-173.7175-163.100111.5T21 M25 Y26 D27T21-E23 VanDerWaalsContact C-N 3.29Å; T21-E23 PolarHBondContact O-N 3.42Å; E23-M25 VanDerWaalsContact C-N 3.26Å; E23-M25 PolarHBondContact O-N 3.34Å; E23-Y26 PolarHBondContact O-N 3.23Å; E23-D27 PolarHBondContact O-N 3.31Å
24E94.2Very high94.7Very high76 Ų7671.3 Ų71.336%0.35536%0.355SS..Hα-helixtrans-59.2-37.2176.2-71.1172.6140.400112.1I20 T21 D27 I28I20-E24 WeakPolarHBondContact CA-OE2 3.47Å; I20-E24 HydrophobicContact CD1-CB 4.45Å; I20-E24 HydrophobicContact CG1-CB 3.88Å; I20-E24 WeakPolarHBondContact CG1-OE2 3.34Å; T21-E24 PolarHBondContact N-OE2 2.91Å; T21-E24 WeakPolarHBondContact OG1-CG 3.37Å; T21-E24 PolarHBondContact OG1-N 3.41Å; T21-E24 VanDerWaalsContact OG1-N 3.12Å; T21-E24 PolarHBondContact OG1-OE2 3.36Å; E24-D27 PolarHBondContact O-N 2.99Å; E24-I28 WeakPolarHBondContact O-CB 3.31Å; E24-I28 WeakPolarHBondContact O-CD1 3.43Å; E24-I28 WeakPolarHBondContact O-CG1 3.42Å; E24-I28 PolarHBondContact O-N 3.42Å
25M95.2Very high94.8Very high0 Ų066.5 Ų66.50%034%0.339CS..Hα-helixtrans-65-44.4174.9-67.6-72.7-66.700111.4L16 I20 T21 A22 E23 D27 I28 F29 I38 A50 V52L16-M25 HydrophobicContact CD1-CE 4.04Å; L16-M25 HydrophobicContact CD1-SD 4.2Å; L16-M25 HydrophobicContact CD2-CE 4.45Å; L16-M25 HydrophobicContact CD2-SD 3.8Å; I20-M25 HydrophobicContact CD1-CG 4.16Å; I20-M25 HydrophobicContact CD1-SD 3.58Å; I20-M25 VanDerWaalsContact CD1-SD 3.58Å; I20-M25 HydrophobicContact CG1-CG 4.16Å; I20-M25 HydrophobicContact CG1-SD 4.17Å; I20-M25 HydrophobicContact CG2-CG 4.39Å; I20-M25 HydrophobicContact CG2-SD 4.21Å; T21-M25 WeakPolarHBondContact O-CG 3.3Å; T21-M25 PolarHBondContact O-N 3.06Å; A22-M25 WeakPolarHBondContact O-CB 3.49Å; A22-M25 PolarHBondContact O-N 2.94Å; E23-M25 VanDerWaalsContact C-N 3.26Å; E23-M25 PolarHBondContact O-N 3.34Å; M25-D27 VanDerWaalsContact C-N 3.33Å; M25-I28 PolarHBondContact O-N 3.47Å; M25-F29 HydrophobicContact CE-CD2 3.93Å; M25-F29 HydrophobicContact CE-CE2 3.51Å; M25-F29 HydrophobicContact CE-CZ 4.43Å; M25-F29 WeakPolarHBondContact O-CB 3.4Å; M25-F29 VanDerWaalsContact O-CD2 3.27Å; M25-F29 WeakPolarHBondContact O-CD2 3.36Å; M25-F29 PolarHBondContact O-N 3.38Å; M25-F29 HydrophobicContact SD-CD2 4.33Å; M25-F29 HydrophobicContact SD-CE2 3.85Å; M25-I38 HydrophobicContact CB-CD1 3.91Å; M25-I38 HydrophobicContact CB-CG2 4.43Å; M25-I38 HydrophobicContact CE-CG2 3.93Å; M25-A50 HydrophobicContact CE-CB 3.82Å; M25-V52 HydrophobicContact CE-CG2 4.07Å
26Y95.7Very high94.8Very high115 Ų11570.9 Ų70.945%0.45135%0.351SS..Hα-helixtrans-65.2-36.9175.7-81.6-78.9000111.9A22 E23 G30 I35 I38A22-Y26 WeakPolarHBondContact O-CD2 3.31Å; A22-Y26 PolarHBondContact O-N 2.95Å; E23-Y26 PolarHBondContact O-N 3.23Å; Y26-G30 WeakPolarHBondContact O-CA 3.39Å; Y26-G30 PolarHBondContact O-N 2.89Å; Y26-I35 HydrophobicContact CD1-CB 4.23Å; Y26-I35 HydrophobicContact CD1-CD1 3.8Å; Y26-I35 HydrophobicContact CD1-CG2 4.31Å; Y26-I35 HydrophobicContact CE1-CB 3.91Å; Y26-I35 HydrophobicContact CE1-CD1 4.21Å; Y26-I35 HydrophobicContact CE1-CG2 3.66Å; Y26-I38 HydrophobicContact CD1-CD1 3.99Å; Y26-I38 HydrophobicContact CD2-CD1 3.99Å; Y26-I38 HydrophobicContact CE1-CD1 3.95Å; Y26-I38 HydrophobicContact CE2-CD1 3.94Å; Y26-I38 HydrophobicContact CG-CD1 3.99Å
27D95.2Very high94.9Very high99 Ų9974.6 Ų74.653%0.52937%0.368SS..Hα-helixtrans-67.8-37.8177.4-78.4-11.9000113.2E23 E24 M25 K31E23-D27 PolarHBondContact O-N 3.31Å; E24-D27 PolarHBondContact O-N 2.99Å; M25-D27 VanDerWaalsContact C-N 3.33Å; D27-K31 WeakPolarHBondContact O-CD 3.32Å; D27-K31 VanDerWaalsContact O-CE 3.22Å; D27-K31 WeakPolarHBondContact O-CE 3.37Å; D27-K31 VanDerWaalsContact O-CG 3.32Å; D27-K31 WeakPolarHBondContact O-CG 3.32Å
28I95.4Very high95.1Very high22 Ų2275.2 Ų75.211%0.11337%0.371CS..Hα-helixtrans-75.1-51.5180-67.7164.4000110.5I20 E24 M25 L67 F70 V72I20-I28 HydrophobicContact CD1-CD1 4.24Å; E24-I28 WeakPolarHBondContact O-CB 3.31Å; E24-I28 WeakPolarHBondContact O-CD1 3.43Å; E24-I28 WeakPolarHBondContact O-CG1 3.42Å; E24-I28 PolarHBondContact O-N 3.42Å; M25-I28 PolarHBondContact O-N 3.47Å; I28-L67 HydrophobicContact CG2-CD1 4.09Å; I28-L67 HydrophobicContact CG2-CD2 3.82Å; I28-F70 HydrophobicContact CD1-CE1 4.48Å; I28-F70 HydrophobicContact CG1-CE1 4.36Å; I28-F70 HydrophobicContact CG2-CD1 4.32Å; I28-F70 HydrophobicContact CG2-CE1 4.25Å; I28-V72 HydrophobicContact CD1-CG1 4.25Å; I28-V72 HydrophobicContact CD1-CG2 3.92Å
29F97.1Very high95.3Very high0 Ų076.1 Ų76.10%037%0.373CS..Hα-helixtrans-84.7-31.7-172.3-69.3-79.8000112.2I13 M25 K31 Y32 I35 V52 Y54 L67 L77I13-F29 HydrophobicContact CB-CZ 4.49Å; I13-F29 HydrophobicContact CD1-CE1 3.5Å; I13-F29 HydrophobicContact CD1-CZ 3.62Å; I13-F29 HydrophobicContact CG1-CE1 4.05Å; I13-F29 HydrophobicContact CG1-CE2 4.48Å; I13-F29 HydrophobicContact CG1-CZ 3.68Å; I13-F29 HydrophobicContact CG2-CZ 4.04Å; M25-F29 HydrophobicContact CE-CD2 3.93Å; M25-F29 HydrophobicContact CE-CE2 3.51Å; M25-F29 HydrophobicContact CE-CZ 4.43Å; M25-F29 WeakPolarHBondContact O-CB 3.4Å; M25-F29 VanDerWaalsContact O-CD2 3.27Å; M25-F29 WeakPolarHBondContact O-CD2 3.36Å; M25-F29 PolarHBondContact O-N 3.38Å; M25-F29 HydrophobicContact SD-CD2 4.33Å; M25-F29 HydrophobicContact SD-CE2 3.85Å; F29-K31 PolarHBondContact O-N 3.48Å; F29-K31 VanDerWaalsContact O-N 3.17Å; F29-Y32 PolarHBondContact O-N 2.92Å; F29-I35 HydrophobicContact CB-CD1 3.68Å; F29-V52 HydrophobicContact CB-CG1 4.04Å; F29-V52 HydrophobicContact CD1-CB 4.44Å; F29-V52 HydrophobicContact CD1-CG1 4.16Å; F29-V52 HydrophobicContact CD1-CG2 4.08Å; F29-V52 HydrophobicContact CD2-CG2 4.03Å; F29-V52 HydrophobicContact CE1-CG2 4.15Å; F29-V52 HydrophobicContact CE2-CG2 4.13Å; F29-V52 HydrophobicContact CG-CG1 4.08Å; F29-V52 HydrophobicContact CG-CG2 4.04Å; F29-V52 HydrophobicContact CZ-CG2 4.19Å; F29-Y54 WeakPolarHBondContact CA-OH 3.41Å; F29-Y54 WeakPolarHBondContact CB-OH 3.49Å; F29-Y54 WeakPolarHBondContact O-CE1 3.37Å; F29-Y54 PolarHBondContact O-OH 2.96Å; F29-L67 HydrophobicContact CD1-CD1 3.4Å; F29-L67 VanDerWaalsContact CD1-CD1 3.4Å; F29-L67 HydrophobicContact CE1-CD1 3.47Å; F29-L67 VanDerWaalsContact CE1-CD1 3.47Å; F29-L67 HydrophobicContact CG-CD1 4.22Å; F29-L67 HydrophobicContact CZ-CD1 4.31Å; F29-L77 HydrophobicContact CZ-CD1 4.42Å
30G96.8Very high95.5Very high34 Ų3470.4 Ų70.435%0.35135%0.354SS..G310 helixtrans-67.3-18.5-177.400000113.9Y26 Y32 G33Y26-G30 WeakPolarHBondContact O-CA 3.39Å; Y26-G30 PolarHBondContact O-N 2.89Å; G30-Y32 PolarHBondContact O-N 2.97Å; G30-Y32 VanDerWaalsContact O-N 3.17Å; G30-G33 PolarHBondContact O-N 2.62Å
31K96.3Very high95.6Very high171 Ų17170.1 Ų70.174%0.74336%0.357SS*.G310 helixtrans-59.7-23.1173.9-75.4173.9-176.7-179.80114D27 F29D27-K31 WeakPolarHBondContact O-CD 3.32Å; D27-K31 VanDerWaalsContact O-CE 3.22Å; D27-K31 WeakPolarHBondContact O-CE 3.37Å; D27-K31 VanDerWaalsContact O-CG 3.32Å; D27-K31 WeakPolarHBondContact O-CG 3.32Å; F29-K31 PolarHBondContact O-N 3.48Å; F29-K31 VanDerWaalsContact O-N 3.17Å
32Y97.2Very high95.5Very high49 Ų4974.1 Ų74.119%0.19238%0.376CS..G310 helixtrans-97.4-11.8-176.4-61.2-85.3000113.3F29 G30 D59 N62 A63 H66 L67F29-Y32 PolarHBondContact O-N 2.92Å; G30-Y32 PolarHBondContact O-N 2.97Å; G30-Y32 VanDerWaalsContact O-N 3.17Å; Y32-D59 WeakPolarHBondContact O-CB 3.46Å; Y32-N62 HydrophobicContact CD1-CB 4.37Å; Y32-A63 HydrophobicContact CD1-CB 4.28Å; Y32-A63 HydrophobicContact CD2-CB 3.91Å; Y32-A63 HydrophobicContact CG-CB 3.71Å; Y32-H66 HydrophobicContact CE1-CB 3.63Å; Y32-H66 WeakPolarHBondContact OH-CB 3.38Å; Y32-L67 HydrophobicContact CD2-CD1 3.93Å; Y32-L67 HydrophobicContact CD2-CG 4.31Å; Y32-L67 HydrophobicContact CE2-CD1 3.51Å; Y32-L67 HydrophobicContact CE2-CD2 3.68Å; Y32-L67 HydrophobicContact CE2-CG 3.47Å; Y32-L67 VanDerWaalsContact CE2-CG 3.47Å; Y32-L67 WeakPolarHBondContact OH-CD2 3.37Å
33G96.6Very high95.7Very high16 Ų1673.3 Ų73.317%0.16536%0.364CS..SBendtrans154.5173.7179.500000113.8G30 I35G30-G33 PolarHBondContact O-N 2.62Å; G33-I35 PolarHBondContact O-N 2.86Å
34P97.8Very high95.6Very high81 Ų8172 Ų7253%0.52637%0.367SS..  trans-59.9125.9177.723.9-34.4000112.3E55 D59P34-E55 HydrophobicContact CB-CG 4.29Å; P34-E55 HydrophobicContact CG-CB 4.21Å; P34-E55 PolarHBondContact O-N 3.37Å; P34-D59 WeakPolarHBondContact CD-OD2 3.42Å
35I98Very high95.4Very high29 Ų2974.4 Ų74.415%0.14938%0.379CS..EExtended strand (participates in β ladder)trans-88.7123.8177.1-65.4-176.2000109.5Y26 F29 G33 I38 V52 Y54Y26-I35 HydrophobicContact CD1-CB 4.23Å; Y26-I35 HydrophobicContact CD1-CD1 3.8Å; Y26-I35 HydrophobicContact CD1-CG2 4.31Å; Y26-I35 HydrophobicContact CE1-CB 3.91Å; Y26-I35 HydrophobicContact CE1-CD1 4.21Å; Y26-I35 HydrophobicContact CE1-CG2 3.66Å; F29-I35 HydrophobicContact CB-CD1 3.68Å; G33-I35 PolarHBondContact O-N 2.86Å; I35-I38 HydrophobicContact CD1-CD1 3.73Å; I35-I38 HydrophobicContact CD1-CG1 4.35Å; I35-I38 HydrophobicContact CG2-CD1 4.03Å; I35-I38 HydrophobicContact CG2-CG1 3.78Å; I35-V52 HydrophobicContact CD1-CG1 4.48Å; I35-Y54 HydrophobicContact CG1-CE1 4.27Å
36R97.6Very high95.3Very high154 Ų15476.7 Ų76.758%0.58139%0.393SS*.EExtended strand (participates in β ladder)trans-74.9-46171.2-177.8172.2-174.876.66.4111.8V53 E55R36-V53 WeakPolarHBondContact CA-O 3.37Å; R36-V53 HydrophobicContact CB-CB 4.17Å; R36-V53 HydrophobicContact CB-CG1 3.97Å; R36-V53 WeakPolarHBondContact CB-O 3.46Å; R36-V53 HydrophobicContact CG-CG1 4.3Å; R36-V53 PolarHBondContact N-O 2.91Å; R36-E55 HydrophobicContact CB-CG 4.05Å; R36-E55 WeakPolarHBondContact CB-OE1 3.45Å; R36-E55 WeakPolarHBondContact CG-OE1 3.45Å; R36-E55 IonicContact CZ-OE2 3.2Å; R36-E55 IonicContact NH1-OE1 2.99Å; R36-E55 PolarHBondContact NH1-OE1 3.4Å; R36-E55 IonicContact NH1-OE2 3.98Å; R36-E55 PolarHBondContact NH1-OE2 2.98Å
37Q97.1Very high95.2Very high79 Ų7977.5 Ų77.537%0.36940%0.395SS..EExtended strand (participates in β ladder)trans-162.9141.3-176.9-172.616837.100112.1R39 V53Q37-R39 HydrophobicContact CG-CG 4.14Å; Q37-R39 VanDerWaalsContact OE1-NE 3.14Å; Q37-V53 HydrophobicContact CB-CB 4.25Å; Q37-V53 HydrophobicContact CB-CG2 4.26Å; Q37-V53 PolarHBondContact N-O 3.46Å; Q37-V53 PolarHBondContact O-N 3.38Å
38I97.3Very high95.2Very high28 Ų2873.1 Ų73.114%0.14437%0.374CS..EExtended strand (participates in β ladder)trans-116.2135.4164.1-65.1160.3000109.3M25 Y26 I35 V40 Y51 V52M25-I38 HydrophobicContact CB-CD1 3.91Å; M25-I38 HydrophobicContact CB-CG2 4.43Å; M25-I38 HydrophobicContact CE-CG2 3.93Å; Y26-I38 HydrophobicContact CD1-CD1 3.99Å; Y26-I38 HydrophobicContact CD2-CD1 3.99Å; Y26-I38 HydrophobicContact CE1-CD1 3.95Å; Y26-I38 HydrophobicContact CE2-CD1 3.94Å; Y26-I38 HydrophobicContact CG-CD1 3.99Å; I35-I38 HydrophobicContact CD1-CD1 3.73Å; I35-I38 HydrophobicContact CD1-CG1 4.35Å; I35-I38 HydrophobicContact CG2-CD1 4.03Å; I35-I38 HydrophobicContact CG2-CG1 3.78Å; I38-V40 HydrophobicContact CG2-CG2 4.11Å; I38-Y51 CarbonylContact C-O 3.57Å; I38-Y51 WeakPolarHBondContact CA-O 3.28Å; I38-V52 HydrophobicContact CG1-CG1 4.1Å; I38-V52 HydrophobicContact CG1-CG2 4.23Å
39R95.8Very high95.2Very high154 Ų15473.1 Ų73.158%0.58138%0.375SS*.EExtended strand (participates in β ladder)trans-127.6115.3171.2-64.6-175.1-172.4-172.86.8109.7Q37 A50 Y51Q37-R39 HydrophobicContact CG-CG 4.14Å; Q37-R39 VanDerWaalsContact OE1-NE 3.14Å; R39-A50 CarbonylContact O-C 3.58Å; R39-A50 WeakPolarHBondContact O-CA 3.38Å; R39-A50 WeakPolarHBondContact O-CB 3.44Å; R39-Y51 PolarHBondContact N-O 2.78Å; R39-Y51 PolarHBondContact O-N 2.77Å
40V95.4Very high95.2Very high70 Ų7073.2 Ų73.242%0.42438%0.375SS..EExtended strand (participates in β ladder)trans-93.5136177-174.10000109.3I38 N42 A50I38-V40 HydrophobicContact CG2-CG2 4.11Å; V40-N42 PolarHBondContact O-N 3.24Å; V40-A50 HydrophobicContact CG2-CB 4.35Å
41G93.6Very high95.3Very high17 Ų1775 Ų7518%0.17537%0.372CS..  trans-65.1126.2175.300000111.3T46 T49G41-T46 WeakPolarHBondContact CA-O 3.13Å; G41-T46 WeakPolarHBondContact CA-OG1 3.4Å; G41-T49 PolarHBondContact N-O 3.34Å
42N91.6Very high95.4Very high150 Ų15066.8 Ų66.880%0.80234%0.337SS*.  trans-114.1-3.5-17364.5-11000113.7V40 T46V40-N42 PolarHBondContact O-N 3.24Å; N42-T46 PolarHBondContact N-OG1 3.45Å
43T92.4Very high95.4Very high51 Ų5165.8 Ų65.831%0.31334%0.335SS..SBendtrans-95.3159174.979.80000110.7E45 T46 R47T43-E45 VanDerWaalsContact CB-OE2 3.23Å; T43-E45 WeakPolarHBondContact CB-OE2 3.5Å; T43-E45 PolarHBondContact O-N 3.38Å; T43-E45 VanDerWaalsContact O-N 3.12Å; T43-E45 PolarHBondContact OG1-N 3.01Å; T43-E45 PolarHBondContact OG1-OE2 3.22Å; T43-T46 PolarHBondContact N-OG1 3.26Å; T43-T46 VanDerWaalsContact N-OG1 3.11Å; T43-T46 CarbonylContact O-C 3.59Å; T43-T46 PolarHBondContact O-N 3.14Å; T43-T46 PolarHBondContact O-OG1 3.17Å; T43-T46 PolarHBondContact OG1-N 2.94Å; T43-T46 PolarHBondContact OG1-OG1 3.21Å; T43-R47 WeakPolarHBondContact O-CB 3.34Å; T43-R47 PolarHBondContact O-N 3.17Å
44P91.9Very high95.5Very high116 Ų11665 Ų6575%0.75333%0.327SS*.THydrogen-bonded Turntrans-52-34.5175.2-2735.9000113.8
45E90.6Very high95.5Very high127 Ų12764.9 Ų64.959%0.59332%0.32SS*.THydrogen-bonded Turntrans-80.6-17.4-177.7-52.370.5-15000113.8T43T43-E45 VanDerWaalsContact CB-OE2 3.23Å; T43-E45 WeakPolarHBondContact CB-OE2 3.5Å; T43-E45 PolarHBondContact O-N 3.38Å; T43-E45 VanDerWaalsContact O-N 3.12Å; T43-E45 PolarHBondContact OG1-N 3.01Å; T43-E45 PolarHBondContact OG1-OE2 3.22Å
46T92.9Very high95.4Very high49 Ų4966.7 Ų66.730%0.30133%0.33SS..THydrogen-bonded Turntrans-118-8.7-175.258.20000112.9G41 N42 T43 G48 T49G41-T46 WeakPolarHBondContact CA-O 3.13Å; G41-T46 WeakPolarHBondContact CA-OG1 3.4Å; N42-T46 PolarHBondContact N-OG1 3.45Å; T43-T46 PolarHBondContact N-OG1 3.26Å; T43-T46 VanDerWaalsContact N-OG1 3.11Å; T43-T46 CarbonylContact O-C 3.59Å; T43-T46 PolarHBondContact O-N 3.14Å; T43-T46 PolarHBondContact O-OG1 3.17Å; T43-T46 PolarHBondContact OG1-N 2.94Å; T43-T46 PolarHBondContact OG1-OG1 3.21Å; T46-G48 PolarHBondContact O-N 2.89Å; T46-T49 WeakPolarHBondContact O-CB 3.21Å; T46-T49 PolarHBondContact O-N 2.9Å; T46-T49 PolarHBondContact O-OG1 3.17Å
47R93.3Very high95.4Very high131 Ų13161.8 Ų61.849%0.49432%0.315SS..THydrogen-bonded Turntrans-58.2136178.3-166.4178.5-176.8-178.41.5110.9Y18 T43 T49Y18-R47 HydrophobicContact CD1-CG 3.85Å; Y18-R47 HydrophobicContact CE1-CG 4.14Å; Y18-R47 HydrophobicContact CG-CG 4.22Å; Y18-R47 PolarHBondContact O-NH2 2.99Å; T43-R47 WeakPolarHBondContact O-CB 3.34Å; T43-R47 PolarHBondContact O-N 3.17Å; R47-T49 VanDerWaalsContact C-N 3.3Å
48G94.1Very high95.4Very high8 Ų863.2 Ų63.28%0.08232%0.32CS..THydrogen-bonded Turntrans7914.1-174.800000114N15 L16 T46N15-G48 PolarHBondContact N-O 2.85Å; L16-G48 PolarHBondContact N-O 3.35Å; L16-G48 WeakPolarHBondContact O-CA 3.42Å; T46-G48 PolarHBondContact O-N 2.89Å
49T96.6Very high95.4Very high22 Ų2263.7 Ų63.714%0.13532%0.322CS..EExtended strand (participates in β ladder)trans-123.2155.9168.573.70000110.7Y12 I13 R14 G41 T46 R47Y12-T49 HydrophobicContact CE2-CG2 4.24Å; I13-T49 CarbonylContact O-C 3.59Å; I13-T49 WeakPolarHBondContact O-CA 3.42Å; I13-T49 WeakPolarHBondContact O-CB 3.2Å; R14-T49 HydrophobicContact CG-CG2 4.47Å; G41-T49 PolarHBondContact N-O 3.34Å; T46-T49 WeakPolarHBondContact O-CB 3.21Å; T46-T49 PolarHBondContact O-N 2.9Å; T46-T49 PolarHBondContact O-OG1 3.17Å; R47-T49 VanDerWaalsContact C-N 3.3Å
50A97.1Very high95.5Very high1 Ų156.3 Ų56.31%0.00830%0.295CS..EExtended strand (participates in β ladder)trans-150.1159173.800000111.5I13 L16 M25 R39 V40I13-A50 HydrophobicContact CB-CB 4.36Å; I13-A50 HydrophobicContact CG1-CB 4.46Å; I13-A50 PolarHBondContact N-O 3.02Å; I13-A50 PolarHBondContact O-N 2.78Å; L16-A50 HydrophobicContact CD1-CB 3.43Å; L16-A50 VanDerWaalsContact CD1-CB 3.43Å; M25-A50 HydrophobicContact CE-CB 3.82Å; R39-A50 CarbonylContact O-C 3.58Å; R39-A50 WeakPolarHBondContact O-CA 3.38Å; R39-A50 WeakPolarHBondContact O-CB 3.44Å; V40-A50 HydrophobicContact CG2-CB 4.35Å
51Y97.8Very high95.5Very high71 Ų7156.2 Ų56.228%0.27829%0.289SS..EExtended strand (participates in β ladder)trans-109.6128.3162.8-67.3-71.7000109.6I10 L11 Y12 I38 R39 Y82I10-Y51 HydrophobicContact CG2-CD1 4.05Å; L11-Y51 CarbonylContact O-C 3.5Å; L11-Y51 VanDerWaalsContact O-CA 3.29Å; L11-Y51 WeakPolarHBondContact O-CA 2.94Å; Y12-Y51 AromaticContact CD2-CD1 3.96Å; Y12-Y51 HydrophobicContact CD2-CD1 3.96Å; Y12-Y51 AromaticContact CD2-CE1 3.44Å; Y12-Y51 HydrophobicContact CD2-CE1 3.44Å; Y12-Y51 VanDerWaalsContact CD2-CE1 3.44Å; Y12-Y51 HydrophobicContact CD2-CE2 4.5Å; Y12-Y51 AromaticContact CD2-CZ 3.76Å; Y12-Y51 HydrophobicContact CE2-CE1 4.31Å; Y12-Y51 HydrophobicContact CG-CD1 4.49Å; Y12-Y51 AromaticContact CG-CE1 3.92Å; Y12-Y51 HydrophobicContact CG-CE1 3.92Å; I38-Y51 CarbonylContact C-O 3.57Å; I38-Y51 WeakPolarHBondContact CA-O 3.28Å; R39-Y51 PolarHBondContact N-O 2.78Å; R39-Y51 PolarHBondContact O-N 2.77Å; Y51-Y82 HydrophobicContact CD1-CD2 4.11Å; Y51-Y82 AromaticContact CE1-CD2 3.66Å; Y51-Y82 HydrophobicContact CE1-CD2 3.66Å; Y51-Y82 HydrophobicContact CE1-CE2 4.11Å
52V98Very high95.7Very high0 Ų058.7 Ų58.70%030%0.298CS..EExtended strand (participates in β ladder)trans-114.8125174.8-177.70000107.5I10 L11 I13 M25 F29 I35 I38 Y54I10-V52 CarbonylContact C-O 3.57Å; I10-V52 WeakPolarHBondContact CA-O 3.16Å; L11-V52 PolarHBondContact N-O 3.01Å; L11-V52 PolarHBondContact O-N 3.33Å; I13-V52 HydrophobicContact CD1-CG2 4.27Å; I13-V52 HydrophobicContact CG1-CG2 3.81Å; M25-V52 HydrophobicContact CE-CG2 4.07Å; F29-V52 HydrophobicContact CB-CG1 4.04Å; F29-V52 HydrophobicContact CD1-CB 4.44Å; F29-V52 HydrophobicContact CD1-CG1 4.16Å; F29-V52 HydrophobicContact CD1-CG2 4.08Å; F29-V52 HydrophobicContact CD2-CG2 4.03Å; F29-V52 HydrophobicContact CE1-CG2 4.15Å; F29-V52 HydrophobicContact CE2-CG2 4.13Å; F29-V52 HydrophobicContact CG-CG1 4.08Å; F29-V52 HydrophobicContact CG-CG2 4.04Å; F29-V52 HydrophobicContact CZ-CG2 4.19Å; I35-V52 HydrophobicContact CD1-CG1 4.48Å; I38-V52 HydrophobicContact CG1-CG1 4.1Å; I38-V52 HydrophobicContact CG1-CG2 4.23Å; V52-Y54 HydrophobicContact CG1-CD2 4.25Å; V52-Y54 HydrophobicContact CG1-CE2 3.76Å
53V98.1Very high96Very high27 Ų2751.5 Ų51.516%0.16426%0.259CS..EExtended strand (participates in β ladder)trans-112.6119.2-179.8-169.40000107.9I10 R36 Q37I10-V53 HydrophobicContact CG1-CG1 4.09Å; I10-V53 HydrophobicContact CG1-CG2 4.11Å; I10-V53 HydrophobicContact CG2-CG2 4.24Å; R36-V53 WeakPolarHBondContact CA-O 3.37Å; R36-V53 HydrophobicContact CB-CB 4.17Å; R36-V53 HydrophobicContact CB-CG1 3.97Å; R36-V53 WeakPolarHBondContact CB-O 3.46Å; R36-V53 HydrophobicContact CG-CG1 4.3Å; R36-V53 PolarHBondContact N-O 2.91Å; Q37-V53 HydrophobicContact CB-CB 4.25Å; Q37-V53 HydrophobicContact CB-CG2 4.26Å; Q37-V53 PolarHBondContact N-O 3.46Å; Q37-V53 PolarHBondContact O-N 3.38Å
54Y98.5Very high96.2Very high0 Ų049.7 Ų49.70%025%0.249CC..EExtended strand (participates in β ladder)trans-88.8156.2170.7-70.6-92.8000110.8R9 L11 F29 I35 V52 D56 D59 A60 A63R9-Y54 PolarHBondContact O-N 3.01Å; L11-Y54 HydrophobicContact CD1-CD2 4.42Å; L11-Y54 HydrophobicContact CD1-CE2 3.76Å; L11-Y54 HydrophobicContact CG-CE2 4.31Å; F29-Y54 WeakPolarHBondContact CA-OH 3.41Å; F29-Y54 WeakPolarHBondContact CB-OH 3.49Å; F29-Y54 WeakPolarHBondContact O-CE1 3.37Å; F29-Y54 PolarHBondContact O-OH 2.96Å; I35-Y54 HydrophobicContact CG1-CE1 4.27Å; V52-Y54 HydrophobicContact CG1-CD2 4.25Å; V52-Y54 HydrophobicContact CG1-CE2 3.76Å; Y54-D56 VanDerWaalsContact CB-O 3.31Å; Y54-D56 WeakPolarHBondContact CB-O 3.39Å; Y54-D59 HydrophobicContact CD1-CB 3.85Å; Y54-D59 HydrophobicContact CE1-CB 4.47Å; Y54-D59 HydrophobicContact CG-CB 4.31Å; Y54-A60 HydrophobicContact CD2-CB 3.67Å; Y54-A60 HydrophobicContact CE2-CB 4.42Å; Y54-A60 HydrophobicContact CG-CB 4.1Å; Y54-A63 HydrophobicContact CE2-CB 3.91Å; Y54-A63 WeakPolarHBondContact OH-CB 3.38Å
55E97.8Very high96.4Very high78 Ų7848.4 Ų48.436%0.36424%0.236SC..SBendtrans-70.4-40.7170.2-66.5-66.2179.600111.1R9 P34 R36R9-E55 WeakPolarHBondContact CD-O 3.28Å; R9-E55 PolarHBondContact NH1-O 3.36Å; R9-E55 VanDerWaalsContact NH1-O 3.11Å; P34-E55 HydrophobicContact CB-CG 4.29Å; P34-E55 HydrophobicContact CG-CB 4.21Å; P34-E55 PolarHBondContact O-N 3.37Å; R36-E55 HydrophobicContact CB-CG 4.05Å; R36-E55 WeakPolarHBondContact CB-OE1 3.45Å; R36-E55 WeakPolarHBondContact CG-OE1 3.45Å; R36-E55 IonicContact CZ-OE2 3.2Å; R36-E55 IonicContact NH1-OE1 2.99Å; R36-E55 PolarHBondContact NH1-OE1 3.4Å; R36-E55 IonicContact NH1-OE2 3.98Å; R36-E55 PolarHBondContact NH1-OE2 2.98Å
56D96.9Very high96.6Very high67 Ų6747.8 Ų47.836%0.35823%0.232SC..SBendtrans-104.8146.8179.5-161.9-73.2000112.9Y54 F58 D59 A60Y54-D56 VanDerWaalsContact CB-O 3.31Å; Y54-D56 WeakPolarHBondContact CB-O 3.39Å; D56-F58 WeakPolarHBondContact OD1-CB 3.42Å; D56-F58 VanDerWaalsContact OD1-CD2 3.23Å; D56-F58 WeakPolarHBondContact OD1-CD2 3.47Å; D56-F58 PolarHBondContact OD1-N 2.79Å; D56-D59 HydrophobicContact CB-CB 4.31Å; D56-D59 WeakPolarHBondContact CB-OD2 3.31Å; D56-A60 PolarHBondContact O-N 3.07Å
57I96.6Very high96.8Very high52 Ų5245.5 Ų45.527%0.26722%0.218SC..Hα-helixtrans-78.8-31-179-167.7167.2000113.1L3 V7 R9 D59 K61L3-I57 HydrophobicContact CD1-CB 4.42Å; L3-I57 HydrophobicContact CD1-CD1 3.88Å; L3-I57 HydrophobicContact CD1-CG1 3.96Å; L3-I57 HydrophobicContact CD1-CG2 3.62Å; V7-I57 HydrophobicContact CG1-CD1 4.07Å; V7-I57 HydrophobicContact CG1-CG1 3.72Å; R9-I57 HydrophobicContact CG-CB 3.71Å; R9-I57 HydrophobicContact CG-CG1 4.17Å; I57-D59 VanDerWaalsContact C-N 3.35Å; I57-K61 PolarHBondContact O-N 3.47Å
58F96.8Very high96.8Very high108 Ų10842.6 Ų42.647%0.47422%0.218SC..Hα-helixtrans-70.1-35.1176.2-61.9-73000111L3 D56 K61 N62L3-F58 HydrophobicContact CD1-CD1 4.15Å; L3-F58 HydrophobicContact CD1-CE1 3.7Å; L3-F58 HydrophobicContact CD1-CZ 4.02Å; L3-F58 HydrophobicContact CD2-CD1 4.03Å; L3-F58 HydrophobicContact CD2-CE1 3.82Å; L3-F58 HydrophobicContact CG-CD1 4.43Å; L3-F58 HydrophobicContact CG-CE1 3.82Å; L3-F58 HydrophobicContact CG-CZ 4.43Å; D56-F58 WeakPolarHBondContact OD1-CB 3.42Å; D56-F58 VanDerWaalsContact OD1-CD2 3.23Å; D56-F58 WeakPolarHBondContact OD1-CD2 3.47Å; D56-F58 PolarHBondContact OD1-N 2.79Å; F58-K61 WeakPolarHBondContact O-CB 3.35Å; F58-K61 PolarHBondContact O-N 2.86Å; F58-N62 WeakPolarHBondContact O-CB 3.36Å; F58-N62 PolarHBondContact O-N 3.45Å
59D97.8Very high96.7Very high38 Ų3844.2 Ų44.220%0.20324%0.235CC..Hα-helixtrans-65-45.9174.1-63.3-11.3000111.1Y32 P34 Y54 D56 I57 K61 N62 A63Y32-D59 WeakPolarHBondContact O-CB 3.46Å; P34-D59 WeakPolarHBondContact CD-OD2 3.42Å; Y54-D59 HydrophobicContact CD1-CB 3.85Å; Y54-D59 HydrophobicContact CE1-CB 4.47Å; Y54-D59 HydrophobicContact CG-CB 4.31Å; D56-D59 HydrophobicContact CB-CB 4.31Å; D56-D59 WeakPolarHBondContact CB-OD2 3.31Å; I57-D59 VanDerWaalsContact C-N 3.35Å; D59-K61 VanDerWaalsContact C-N 3.28Å; D59-K61 PolarHBondContact O-N 3.49Å; D59-N62 PolarHBondContact O-N 3.43Å; D59-A63 WeakPolarHBondContact O-CB 3.17Å; D59-A63 PolarHBondContact O-N 3.02Å
60A97.6Very high96.6Very high0 Ų047.3 Ų47.30%025%0.247CC..Hα-helixtrans-60.3-40174.200000111.9N8 L11 Y54 D56 C64N8-A60 WeakPolarHBondContact O-CB 3.45Å; L11-A60 HydrophobicContact CD2-CB 4.3Å; L11-A60 HydrophobicContact CG-CB 4.37Å; Y54-A60 HydrophobicContact CD2-CB 3.67Å; Y54-A60 HydrophobicContact CE2-CB 4.42Å; Y54-A60 HydrophobicContact CG-CB 4.1Å; D56-A60 PolarHBondContact O-N 3.07Å; A60-C64 WeakPolarHBondContact O-CB 3.22Å; A60-C64 PolarHBondContact O-N 3.47Å
61K96.8Very high96.5Very high68 Ų6850.5 Ų50.530%0.29626%0.263SS..Hα-helixtrans-61.5-50.4174.4178.4-177-173.9-55.20111.3L3 V7 I57 F58 D59 A63 C64 D65 Y81L3-K61 HydrophobicContact CD2-CD 3.72Å; V7-K61 HydrophobicContact CG1-CB 4.09Å; I57-K61 PolarHBondContact O-N 3.47Å; F58-K61 WeakPolarHBondContact O-CB 3.35Å; F58-K61 PolarHBondContact O-N 2.86Å; D59-K61 VanDerWaalsContact C-N 3.28Å; D59-K61 PolarHBondContact O-N 3.49Å; K61-A63 VanDerWaalsContact C-N 3.3Å; K61-A63 PolarHBondContact O-N 2.77Å; K61-C64 PolarHBondContact O-N 3.46Å; K61-C64 VanDerWaalsContact O-N 3.14Å; K61-D65 IonicContact NZ-OD2 2.62Å; K61-D65 PolarHBondContact NZ-OD2 3.41Å; K61-D65 PolarHBondContact O-N 3.01Å; K61-Y81 VanDerWaalsContact CA-OH 3.28Å; K61-Y81 WeakPolarHBondContact CA-OH 3.47Å; K61-Y81 WeakPolarHBondContact CG-OH 3.25Å
62N96.9Very high96.1Very high68 Ų6847.8 Ų47.836%0.36425%0.254SS..Hα-helixtrans-59.3-43.7-179.1-165.726.3000111.2Y32 F58 D59 D65 H66Y32-N62 HydrophobicContact CD1-CB 4.37Å; F58-N62 WeakPolarHBondContact O-CB 3.36Å; F58-N62 PolarHBondContact O-N 3.45Å; D59-N62 PolarHBondContact O-N 3.43Å; N62-D65 PolarHBondContact O-N 2.73Å; N62-H66 PolarHBondContact O-N 2.93Å; N62-H66 PolarHBondContact O-ND1 3Å; N62-H66 PolarHBondContact OD1-CE1 2.93Å; N62-H66 PolarHBondContact OD1-ND1 3.02Å
63A97.6Very high95.8Very high0 Ų052.1 Ų52.10%028%0.284CS..Hα-helixtrans-61.9-43.5174.600000112.4L11 Y32 Y54 D59 K61 D65 H66 L67L11-A63 HydrophobicContact CD1-CB 3.93Å; Y32-A63 HydrophobicContact CD1-CB 4.28Å; Y32-A63 HydrophobicContact CD2-CB 3.91Å; Y32-A63 HydrophobicContact CG-CB 3.71Å; Y54-A63 HydrophobicContact CE2-CB 3.91Å; Y54-A63 WeakPolarHBondContact OH-CB 3.38Å; D59-A63 WeakPolarHBondContact O-CB 3.17Å; D59-A63 PolarHBondContact O-N 3.02Å; K61-A63 VanDerWaalsContact C-N 3.3Å; K61-A63 PolarHBondContact O-N 2.77Å; A63-D65 PolarHBondContact O-N 3.46Å; A63-H66 PolarHBondContact O-N 2.85Å; A63-L67 HydrophobicContact CB-CD1 4.27Å; A63-L67 WeakPolarHBondContact O-CB 3.15Å; A63-L67 WeakPolarHBondContact O-CG 3.27Å; A63-L67 PolarHBondContact O-N 2.99Å
64C96.9Very high95.5Very high13 Ų1357.8 Ų57.89%0.08831%0.313CS..Hα-helixtrans-62.1-42.9179.2-168.70000112.1L11 A60 K61 H66 S68 V79 Y81L11-C64 HydrophobicContact CD1-CB 4.38Å; L11-C64 HydrophobicContact CD2-CB 4.07Å; A60-C64 WeakPolarHBondContact O-CB 3.22Å; A60-C64 PolarHBondContact O-N 3.47Å; K61-C64 PolarHBondContact O-N 3.46Å; K61-C64 VanDerWaalsContact O-N 3.14Å; C64-H66 VanDerWaalsContact C-N 3.35Å; C64-H66 PolarHBondContact O-N 3.04Å; C64-S68 WeakPolarHBondContact O-CB 3.32Å; C64-S68 PolarHBondContact O-N 2.97Å; C64-V79 HydrophobicContact CB-CG1 4.3Å; C64-Y81 HydrophobicContact CB-CE1 3.99Å; C64-Y81 HydrophobicContact CB-CE2 4.41Å
65D95.3Very high95.2Very high89 Ų8960.9 Ų60.948%0.47633%0.325SS..Hα-helixtrans-67.1-35.5-177.7-66.3-18.1000112.1K61 N62 A63K61-D65 IonicContact NZ-OD2 2.62Å; K61-D65 PolarHBondContact NZ-OD2 3.41Å; K61-D65 PolarHBondContact O-N 3.01Å; N62-D65 PolarHBondContact O-N 2.73Å; A63-D65 PolarHBondContact O-N 3.46Å
66H95.9Very high95.1Very high113 Ų11364 Ų6452%0.52333%0.334SS..Hα-helixtrans-98.5-27.7-174.4-64.595.4000114.8Y32 N62 A63 C64Y32-H66 HydrophobicContact CE1-CB 3.63Å; Y32-H66 WeakPolarHBondContact OH-CB 3.38Å; N62-H66 PolarHBondContact O-N 2.93Å; N62-H66 PolarHBondContact O-ND1 3Å; N62-H66 PolarHBondContact OD1-CE1 2.93Å; N62-H66 PolarHBondContact OD1-ND1 3.02Å; A63-H66 PolarHBondContact O-N 2.85Å; C64-H66 VanDerWaalsContact C-N 3.35Å; C64-H66 PolarHBondContact O-N 3.04Å
67L95.9Very high95.1Very high2 Ų260.9 Ų60.91%0.0132%0.317CS..Hα-helixtrans-91.6-10.1-178.2-67.1176000113.8I28 F29 Y32 A63 G69 F70 V79I28-L67 HydrophobicContact CG2-CD1 4.09Å; I28-L67 HydrophobicContact CG2-CD2 3.82Å; F29-L67 HydrophobicContact CD1-CD1 3.4Å; F29-L67 VanDerWaalsContact CD1-CD1 3.4Å; F29-L67 HydrophobicContact CE1-CD1 3.47Å; F29-L67 VanDerWaalsContact CE1-CD1 3.47Å; F29-L67 HydrophobicContact CG-CD1 4.22Å; F29-L67 HydrophobicContact CZ-CD1 4.31Å; Y32-L67 HydrophobicContact CD2-CD1 3.93Å; Y32-L67 HydrophobicContact CD2-CG 4.31Å; Y32-L67 HydrophobicContact CE2-CD1 3.51Å; Y32-L67 HydrophobicContact CE2-CD2 3.68Å; Y32-L67 HydrophobicContact CE2-CG 3.47Å; Y32-L67 VanDerWaalsContact CE2-CG 3.47Å; Y32-L67 WeakPolarHBondContact OH-CD2 3.37Å; A63-L67 HydrophobicContact CB-CD1 4.27Å; A63-L67 WeakPolarHBondContact O-CB 3.15Å; A63-L67 WeakPolarHBondContact O-CG 3.27Å; A63-L67 PolarHBondContact O-N 2.99Å; L67-G69 PolarHBondContact O-N 3.18Å; L67-F70 HydrophobicContact CB-CB 4.48Å; L67-F70 HydrophobicContact CD2-CB 4.06Å; L67-F70 HydrophobicContact CD2-CD1 4.16Å; L67-F70 HydrophobicContact CD2-CD2 4.32Å; L67-F70 HydrophobicContact CD2-CG 3.93Å; L67-F70 VanDerWaalsContact O-CB 3.25Å; L67-F70 WeakPolarHBondContact O-CB 3.42Å; L67-F70 PolarHBondContact O-N 3.24Å; L67-V79 HydrophobicContact CB-CG2 3.9Å; L67-V79 WeakPolarHBondContact O-CG2 3.42Å
68S93.2Very high95.1Very high70 Ų7061.2 Ų61.249%0.4932%0.322SS..THydrogen-bonded Turntrans-65119.4171.9-166.10000109.8C64C64-S68 WeakPolarHBondContact O-CB 3.32Å; C64-S68 PolarHBondContact O-N 2.97Å
69G93.3Very high95.1Very high42 Ų4256.2 Ų56.243%0.43330%0.3SS..THydrogen-bonded Turntrans7913.9-173.100000114.4L67 Y76 L77L67-G69 PolarHBondContact O-N 3.18Å; G69-Y76 WeakPolarHBondContact O-CD1 3.42Å; G69-L77 WeakPolarHBondContact CA-O 3.43Å; G69-L77 PolarHBondContact N-O 3.23Å
70F94.5Very high95.1Very high87 Ų8757 Ų5738%0.38230%0.304SS..  trans-69.3132.1174-174.6-108.8000111.1I28 L67 V72 Y76 L77I28-F70 HydrophobicContact CD1-CE1 4.48Å; I28-F70 HydrophobicContact CG1-CE1 4.36Å; I28-F70 HydrophobicContact CG2-CD1 4.32Å; I28-F70 HydrophobicContact CG2-CE1 4.25Å; L67-F70 HydrophobicContact CB-CB 4.48Å; L67-F70 HydrophobicContact CD2-CB 4.06Å; L67-F70 HydrophobicContact CD2-CD1 4.16Å; L67-F70 HydrophobicContact CD2-CD2 4.32Å; L67-F70 HydrophobicContact CD2-CG 3.93Å; L67-F70 VanDerWaalsContact O-CB 3.25Å; L67-F70 WeakPolarHBondContact O-CB 3.42Å; L67-F70 PolarHBondContact O-N 3.24Å; F70-V72 HydrophobicContact CD1-CG2 3.47Å; F70-V72 VanDerWaalsContact CD1-CG2 3.47Å; F70-V72 HydrophobicContact CE1-CG2 3.62Å; F70-Y76 CarbonylContact O-C 3.55Å; F70-Y76 WeakPolarHBondContact O-CA 3.29Å; F70-L77 HydrophobicContact CD1-CD1 4.33Å; F70-L77 WeakPolarHBondContact O-CG 3.17Å; F70-L77 PolarHBondContact O-N 3.32Å
71N93.9Very high95Very high67 Ų6759.1 Ų59.136%0.35831%0.312SS..EExtended strand (participates in β ladder)trans-86.5121-178.9-175.46.1000111.2N74 R75 Y76N71-N74 WeakPolarHBondContact OD1-CA 3.15Å; N71-N74 PolarHBondContact OD1-N 3.41Å; N71-N74 VanDerWaalsContact OD1-N 3.11Å; N71-R75 WeakPolarHBondContact CA-O 3.37Å; N71-R75 PolarHBondContact OD1-N 3.29Å; N71-R75 VanDerWaalsContact OD1-N 3.13Å; N71-Y76 HydrophobicContact CB-CD1 4.04Å; N71-Y76 HydrophobicContact CB-CE1 3.84Å
72V91Very high95Very high14 Ų1457.8 Ų57.89%0.08531%0.306CS..EExtended strand (participates in β ladder)trans-127.4118.3172.3-170.30000108.8P17 I20 I28 F70 N74 R75 L77P17-V72 HydrophobicContact CG-CB 4.11Å; P17-V72 HydrophobicContact CG-CG1 3.86Å; P17-V72 WeakPolarHBondContact CG-O 3.38Å; I20-V72 HydrophobicContact CD1-CG1 4.29Å; I28-V72 HydrophobicContact CD1-CG1 4.25Å; I28-V72 HydrophobicContact CD1-CG2 3.92Å; F70-V72 HydrophobicContact CD1-CG2 3.47Å; F70-V72 VanDerWaalsContact CD1-CG2 3.47Å; F70-V72 HydrophobicContact CE1-CG2 3.62Å; V72-N74 VanDerWaalsContact C-N 3.31Å; V72-N74 PolarHBondContact O-N 3.18Å; V72-R75 PolarHBondContact N-O 2.83Å; V72-R75 WeakPolarHBondContact O-CB 3.21Å; V72-R75 PolarHBondContact O-N 2.82Å; V72-L77 HydrophobicContact CB-CD2 4.48Å; V72-L77 HydrophobicContact CG2-CD1 3.81Å; V72-L77 HydrophobicContact CG2-CD2 4.23Å; V72-L77 HydrophobicContact CG2-CG 3.94Å
73C90.3Very high94.9Very high92 Ų9255.9 Ų55.962%0.62230%0.295SS*.THydrogen-bonded Turntrans49.948.2-179.9-57.10000113.3P17 R75P17-C73 HydrophobicContact CB-CB 4.39Å; P17-C73 HydrophobicContact CG-CB 4.03Å; C73-R75 VanDerWaalsContact C-N 3.25Å; C73-R75 PolarHBondContact O-N 2.84Å
74N92Very high94.5Very high145 Ų14556 Ų5678%0.77530%0.296SS*.THydrogen-bonded Turntrans62.925.3-177.3-59.4-29.7000114.5N71 V72N71-N74 WeakPolarHBondContact OD1-CA 3.15Å; N71-N74 PolarHBondContact OD1-N 3.41Å; N71-N74 VanDerWaalsContact OD1-N 3.11Å; V72-N74 VanDerWaalsContact C-N 3.31Å; V72-N74 PolarHBondContact O-N 3.18Å
75R93.1Very high94.3Very high66 Ų6656.8 Ų56.825%0.24930%0.299CS..EExtended strand (participates in β ladder)trans-127.6127.9174.4-60.6-176.169.9-173.30.8110N15 L16 N71 V72 C73N15-R75 PolarHBondContact O-NE 2.91Å; N15-R75 VanDerWaalsContact OD1-CZ 3.26Å; N15-R75 PolarHBondContact OD1-NE 3.48Å; N15-R75 VanDerWaalsContact OD1-NE 3.11Å; N15-R75 PolarHBondContact OD1-NH2 2.9Å; L16-R75 VanDerWaalsContact C-NH1 3.35Å; L16-R75 PolarHBondContact O-NH1 3.29Å; N71-R75 WeakPolarHBondContact CA-O 3.37Å; N71-R75 PolarHBondContact OD1-N 3.29Å; N71-R75 VanDerWaalsContact OD1-N 3.13Å; V72-R75 PolarHBondContact N-O 2.83Å; V72-R75 WeakPolarHBondContact O-CB 3.21Å; V72-R75 PolarHBondContact O-N 2.82Å; C73-R75 VanDerWaalsContact C-N 3.25Å; C73-R75 PolarHBondContact O-N 2.84Å
76Y95.7Very high94Very high142 Ų14258.5 Ų58.556%0.55730%0.299SS*.EExtended strand (participates in β ladder)trans-83.9116.9177.6-62.9-84.6000109.9N15 G69 F70 N71N15-Y76 PolarHBondContact ND2-O 3.11Å; G69-Y76 WeakPolarHBondContact O-CD1 3.42Å; F70-Y76 CarbonylContact O-C 3.55Å; F70-Y76 WeakPolarHBondContact O-CA 3.29Å; N71-Y76 HydrophobicContact CB-CD1 4.04Å; N71-Y76 HydrophobicContact CB-CE1 3.84Å
77L96.4Very high93.7Very high2 Ų254.7 Ų54.71%0.0129%0.288CS..  trans-65.5143.4179.9-59.7-172.2000110.7L16 F29 G69 F70 V72 V79L16-L77 HydrophobicContact CD2-CD1 4.27Å; L16-L77 HydrophobicContact CD2-CD2 3.59Å; L16-L77 HydrophobicContact CG-CD2 4.16Å; F29-L77 HydrophobicContact CZ-CD1 4.42Å; G69-L77 WeakPolarHBondContact CA-O 3.43Å; G69-L77 PolarHBondContact N-O 3.23Å; F70-L77 HydrophobicContact CD1-CD1 4.33Å; F70-L77 WeakPolarHBondContact O-CG 3.17Å; F70-L77 PolarHBondContact O-N 3.32Å; V72-L77 HydrophobicContact CB-CD2 4.48Å; V72-L77 HydrophobicContact CG2-CD1 3.81Å; V72-L77 HydrophobicContact CG2-CD2 4.23Å; V72-L77 HydrophobicContact CG2-CG 3.94Å; L77-V79 HydrophobicContact CB-CG2 4.33Å
78V97.1Very high93.4Very high59 Ų5956.7 Ų56.736%0.35830%0.296SS..EExtended strand (participates in β ladder)trans-109.2117.3168.2176.80000107.2I13 R14 L80I13-V78 CarbonylContact C-O 3.59Å; I13-V78 WeakPolarHBondContact CA-O 3.21Å; R14-V78 HydrophobicContact CB-CB 4.15Å; R14-V78 PolarHBondContact N-O 3.37Å; R14-V78 PolarHBondContact O-N 3.17Å; V78-L80 HydrophobicContact CG1-CD1 4.23Å; V78-L80 HydrophobicContact CG1-CD2 4.39Å; V78-L80 HydrophobicContact CG1-CG 4.07Å
79V97.2Very high93.2Very high3 Ų359 Ų592%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-114.4122.9-176.6-174.90000108.4L11 I13 C64 L67 L77L11-V79 HydrophobicContact CB-CG1 4.34Å; L11-V79 HydrophobicContact CD1-CG1 3.84Å; I13-V79 HydrophobicContact CD1-CB 4.31Å; I13-V79 HydrophobicContact CD1-CG1 3.73Å; I13-V79 HydrophobicContact CD1-CG2 4.07Å; C64-V79 HydrophobicContact CB-CG1 4.3Å; L67-V79 HydrophobicContact CB-CG2 3.9Å; L67-V79 WeakPolarHBondContact O-CG2 3.42Å; L77-V79 HydrophobicContact CB-CG2 4.33Å
80L96.4Very high92.8Very high55 Ų5564.5 Ų64.529%0.28831%0.311SS..EExtended strand (participates in β ladder)trans-132151.3-177-60.1172.1000109.4L11 Y12 V78L11-L80 CarbonylContact C-O 3.53Å; L11-L80 WeakPolarHBondContact CA-O 3.2Å; Y12-L80 HydrophobicContact CD1-CD1 4.35Å; Y12-L80 PolarHBondContact N-O 3.11Å; Y12-L80 PolarHBondContact O-N 2.8Å; V78-L80 HydrophobicContact CG1-CD1 4.23Å; V78-L80 HydrophobicContact CG1-CD2 4.39Å; V78-L80 HydrophobicContact CG1-CG 4.07Å
81Y96.8Very high92.6Very high44 Ų4464.6 Ų64.617%0.17331%0.314CS..EExtended strand (participates in β ladder)trans-66.2147.2166.2-63.6-68.3000111.2E6 V7 N8 L11 K61 C64 N83E6-Y81 WeakPolarHBondContact O-CB 3.46Å; V7-Y81 HydrophobicContact CB-CE1 4.29Å; V7-Y81 HydrophobicContact CG1-CD1 4.47Å; V7-Y81 HydrophobicContact CG1-CE1 3.78Å; V7-Y81 HydrophobicContact CG2-CE2 4.17Å; N8-Y81 HydrophobicContact CB-CD1 4.32Å; N8-Y81 VanDerWaalsContact N-CD1 3.26Å; N8-Y81 WeakPolarHBondContact O-CD1 3.4Å; L11-Y81 HydrophobicContact CD2-CD1 3.54Å; L11-Y81 HydrophobicContact CD2-CE1 3.78Å; L11-Y81 HydrophobicContact CD2-CG 4.46Å; K61-Y81 VanDerWaalsContact CA-OH 3.28Å; K61-Y81 WeakPolarHBondContact CA-OH 3.47Å; K61-Y81 WeakPolarHBondContact CG-OH 3.25Å; C64-Y81 HydrophobicContact CB-CE1 3.99Å; C64-Y81 HydrophobicContact CB-CE2 4.41Å; Y81-N83 PolarHBondContact O-N 3.21Å
82Y95.9Very high92.5Very high41 Ų4166.3 Ų66.316%0.16132%0.323CS..  trans-61.3132.6171.2176.5-93.9000110.9I10 Y51 A84 A87I10-Y82 HydrophobicContact CB-CG 4.14Å; I10-Y82 HydrophobicContact CD1-CD1 4.47Å; I10-Y82 HydrophobicContact CD1-CG 4.46Å; I10-Y82 HydrophobicContact CG2-CD2 4.07Å; I10-Y82 HydrophobicContact CG2-CG 4.01Å; I10-Y82 WeakPolarHBondContact O-CB 3.19Å; I10-Y82 PolarHBondContact O-N 3.01Å; Y51-Y82 HydrophobicContact CD1-CD2 4.11Å; Y51-Y82 AromaticContact CE1-CD2 3.66Å; Y51-Y82 HydrophobicContact CE1-CD2 3.66Å; Y51-Y82 HydrophobicContact CE1-CE2 4.11Å; Y82-A84 HydrophobicContact CE1-CB 3.96Å; Y82-A87 HydrophobicContact CD2-CB 4.47Å; Y82-A87 HydrophobicContact CE2-CB 3.49Å; Y82-A87 VanDerWaalsContact CE2-CB 3.49Å
83N93.8Very high92.5Very high28 Ų2870.4 Ų70.415%0.1535%0.348CS..  trans-130122.5170.6175.5-77.9000108.3Y81 N85 R86 A87 D112Y81-N83 PolarHBondContact O-N 3.21Å; N83-N85 VanDerWaalsContact C-N 3.28Å; N83-N85 PolarHBondContact O-N 3.26Å; N83-N85 WeakPolarHBondContact OD1-CA 3.46Å; N83-N85 WeakPolarHBondContact OD1-CB 3.41Å; N83-N85 PolarHBondContact OD1-N 3.22Å; N83-R86 HydrophobicContact CB-CB 4.4Å; N83-R86 PolarHBondContact O-N 3.02Å; N83-R86 PolarHBondContact OD1-N 2.86Å; N83-A87 PolarHBondContact O-N 3.12Å; N83-D112 PolarHBondContact ND2-O 3.48Å
84A91.1Very high92.7Very high1 Ų172.6 Ų72.61%0.00835%0.347CS..Hα-helixtrans-60.8-38.4-175.600000111.9Y82 R86 A87 F88 L100 I109Y82-A84 HydrophobicContact CE1-CB 3.96Å; A84-R86 VanDerWaalsContact C-N 3.35Å; A84-R86 PolarHBondContact O-N 3.2Å; A84-A87 PolarHBondContact O-N 3.49Å; A84-F88 WeakPolarHBondContact O-CD2 3.2Å; A84-F88 PolarHBondContact O-N 2.82Å; A84-L100 HydrophobicContact CB-CD2 3.79Å; A84-I109 HydrophobicContact CB-CG2 4.25Å
85N91.1Very high92.7Very high30 Ų3072.2 Ų72.216%0.1634%0.339CS..Hα-helixtrans-59.7-45178.9-158-62.2000111.9N83 Q89 K96 T111N83-N85 VanDerWaalsContact C-N 3.28Å; N83-N85 PolarHBondContact O-N 3.26Å; N83-N85 WeakPolarHBondContact OD1-CA 3.46Å; N83-N85 WeakPolarHBondContact OD1-CB 3.41Å; N83-N85 PolarHBondContact OD1-N 3.22Å; N85-Q89 PolarHBondContact O-N 3.21Å; N85-K96 WeakPolarHBondContact OD1-CE 3.41Å; N85-K96 PolarHBondContact OD1-NZ 2.83Å; N85-T111 WeakPolarHBondContact CB-O 3.46Å; N85-T111 PolarHBondContact ND2-O 3.11Å
86R89.4Confident92.6Very high125 Ų12571.2 Ų71.247%0.47234%0.336SS..Hα-helixtrans-67.1-39.3174.6-81.1-171.1173.91658.2112.6N83 A84 F88 Q89 P114N83-R86 HydrophobicContact CB-CB 4.4Å; N83-R86 PolarHBondContact O-N 3.02Å; N83-R86 PolarHBondContact OD1-N 2.86Å; A84-R86 VanDerWaalsContact C-N 3.35Å; A84-R86 PolarHBondContact O-N 3.2Å; R86-F88 VanDerWaalsContact C-N 3.26Å; R86-F88 PolarHBondContact O-N 2.82Å; R86-Q89 WeakPolarHBondContact O-CB 3.45Å; R86-Q89 WeakPolarHBondContact O-CG 3.4Å; R86-Q89 PolarHBondContact O-N 3.01Å; R86-P114 HydrophobicContact CG-CG 3.78Å; R86-P114 VanDerWaalsContact CZ-CG 3.42Å
87A89.3Confident92.4Very high34 Ų3470.6 Ų70.628%0.28134%0.338SS..Hα-helixtrans-60.2-37.8-178.400000112.3Y82 N83 A84Y82-A87 HydrophobicContact CD2-CB 4.47Å; Y82-A87 HydrophobicContact CE2-CB 3.49Å; Y82-A87 VanDerWaalsContact CE2-CB 3.49Å; N83-A87 PolarHBondContact O-N 3.12Å; A84-A87 PolarHBondContact O-N 3.49Å
88F89.6Confident92.3Very high43 Ų4375.7 Ų75.719%0.18936%0.362CS..THydrogen-bonded Turntrans-101.415.1-179.2-56.6-67.9000113.6A84 R86 K90 M91 K96 L100 L103A84-F88 WeakPolarHBondContact O-CD2 3.2Å; A84-F88 PolarHBondContact O-N 2.82Å; R86-F88 VanDerWaalsContact C-N 3.26Å; R86-F88 PolarHBondContact O-N 2.82Å; F88-K90 PolarHBondContact O-N 2.88Å; F88-M91 HydrophobicContact CB-SD 4.17Å; F88-M91 HydrophobicContact CD1-CE 3.68Å; F88-M91 HydrophobicContact CD1-SD 3.71Å; F88-M91 HydrophobicContact CE1-CE 4.16Å; F88-M91 HydrophobicContact CG-SD 4.32Å; F88-M91 WeakPolarHBondContact O-CB 3.41Å; F88-M91 PolarHBondContact O-N 2.63Å; F88-M91 VanDerWaalsContact O-N 3.11Å; F88-K96 HydrophobicContact CB-CG 4.19Å; F88-L100 HydrophobicContact CD2-CD2 3.97Å; F88-L103 HydrophobicContact CD2-CD1 4.29Å; F88-L103 HydrophobicContact CE2-CD1 3.39Å; F88-L103 HydrophobicContact CZ-CD1 3.91Å
89Q89.1Confident92Very high119 Ų11976.7 Ų76.756%0.55636%0.363SS*.THydrogen-bonded Turntrans-62.6-25.9-175.274.3-173.5-3.900114.4N85 R86 M91N85-Q89 PolarHBondContact O-N 3.21Å; R86-Q89 WeakPolarHBondContact O-CB 3.45Å; R86-Q89 WeakPolarHBondContact O-CG 3.4Å; R86-Q89 PolarHBondContact O-N 3.01Å; Q89-M91 VanDerWaalsContact C-N 3.34Å
90K85.9Confident91.6Very high157 Ų15777.3 Ų77.368%0.68337%0.366SS*.THydrogen-bonded Turntrans-86.7-2.5-179.5-65.3-173.4178.1-177.80113F88F88-K90 PolarHBondContact O-N 2.88Å
91M89.6Confident91.4Very high90 Ų9081.1 Ų81.144%0.44338%0.38SS..SBendtrans-81.2155.1175.7-68.8-173.2170.400110.9F88 Q89 K96 Q99F88-M91 HydrophobicContact CB-SD 4.17Å; F88-M91 HydrophobicContact CD1-CE 3.68Å; F88-M91 HydrophobicContact CD1-SD 3.71Å; F88-M91 HydrophobicContact CE1-CE 4.16Å; F88-M91 HydrophobicContact CG-SD 4.32Å; F88-M91 WeakPolarHBondContact O-CB 3.41Å; F88-M91 PolarHBondContact O-N 2.63Å; F88-M91 VanDerWaalsContact O-N 3.11Å; Q89-M91 VanDerWaalsContact C-N 3.34Å; M91-K96 HydrophobicContact CB-CB 4.23Å; M91-Q99 HydrophobicContact SD-CG 4.41Å
92D92.9Very high91.3Very high103 Ų10383.4 Ų83.455%0.55140%0.395SS*.  trans-51.6140.6167.9179.6-90.7000110.8K94 K95 K96D92-K94 VanDerWaalsContact C-N 3.28Å; D92-K94 PolarHBondContact O-N 3.4Å; D92-K94 WeakPolarHBondContact OD1-CB 3.17Å; D92-K94 PolarHBondContact OD1-N 3.04Å; D92-K95 HydrophobicContact CB-CB 4.38Å; D92-K95 HydrophobicContact CB-CD 4.38Å; D92-K95 HydrophobicContact CB-CG 4.4Å; D92-K95 PolarHBondContact O-N 2.82Å; D92-K95 VanDerWaalsContact O-N 3.11Å; D92-K96 WeakPolarHBondContact O-CB 3.42Å; D92-K96 PolarHBondContact O-N 3.32Å
93T90.8Very high91Very high99 Ų9982.8 Ų82.861%0.60739%0.394SS*.Hα-helixtrans-52.9-44.5-173.2-52.10000112.5K96 E97T93-K96 PolarHBondContact O-N 2.84Å; T93-E97 WeakPolarHBondContact O-CG 3.33Å; T93-E97 PolarHBondContact O-N 3.49Å
94K93Very high90.9Very high139 Ų13987.1 Ų87.160%0.60441%0.412SS*.Hα-helixtrans-67.3-44.9-178.2-170.5179.1178.9-178.90111D92 K96 E97 E98D92-K94 VanDerWaalsContact C-N 3.28Å; D92-K94 PolarHBondContact O-N 3.4Å; D92-K94 WeakPolarHBondContact OD1-CB 3.17Å; D92-K94 PolarHBondContact OD1-N 3.04Å; K94-K96 VanDerWaalsContact C-N 3.34Å; K94-K96 PolarHBondContact O-N 2.76Å; K94-E97 PolarHBondContact O-N 3Å; K94-E98 WeakPolarHBondContact CE-OE1 3.5Å; K94-E98 WeakPolarHBondContact O-CG 3.49Å; K94-E98 PolarHBondContact O-N 2.71Å; K94-E98 VanDerWaalsContact O-N 3.07Å
95K93.1Very high90.9Very high136 Ų13693.4 Ų93.459%0.59144%0.441SS*.Hα-helixtrans-65-38177.1-68.5-177.4178.9176.10112D92 Q99D92-K95 HydrophobicContact CB-CB 4.38Å; D92-K95 HydrophobicContact CB-CD 4.38Å; D92-K95 HydrophobicContact CB-CG 4.4Å; D92-K95 PolarHBondContact O-N 2.82Å; D92-K95 VanDerWaalsContact O-N 3.11Å; K95-Q99 WeakPolarHBondContact O-CB 3.33Å; K95-Q99 VanDerWaalsContact O-CG 3.31Å; K95-Q99 WeakPolarHBondContact O-CG 3.48Å; K95-Q99 PolarHBondContact O-N 3.44Å
96K91.3Very high91Very high45 Ų4598.6 Ų98.620%0.19646%0.462CS..Hα-helixtrans-61.4-48.9176.2179.7-175.1175-173.70110.5N85 F88 M91 D92 T93 K94 Q99 L100N85-K96 WeakPolarHBondContact OD1-CE 3.41Å; N85-K96 PolarHBondContact OD1-NZ 2.83Å; F88-K96 HydrophobicContact CB-CG 4.19Å; M91-K96 HydrophobicContact CB-CB 4.23Å; D92-K96 WeakPolarHBondContact O-CB 3.42Å; D92-K96 PolarHBondContact O-N 3.32Å; T93-K96 PolarHBondContact O-N 2.84Å; K94-K96 VanDerWaalsContact C-N 3.34Å; K94-K96 PolarHBondContact O-N 2.76Å; K96-Q99 PolarHBondContact O-N 3.4Å; K96-L100 HydrophobicContact CG-CD1 3.98Å; K96-L100 HydrophobicContact CG-CG 4.39Å; K96-L100 WeakPolarHBondContact O-CB 3.49Å; K96-L100 VanDerWaalsContact O-CG 3.28Å; K96-L100 WeakPolarHBondContact O-CG 3.41Å; K96-L100 PolarHBondContact O-N 3.2Å
97E90.8Very high91.1Very high129 Ų12999.5 Ų99.560%0.60347%0.467SS*.Hα-helixtrans-60.8-46.2178.6-75.3178.9175.800112.1T93 K94 Q99 L100 K101T93-E97 WeakPolarHBondContact O-CG 3.33Å; T93-E97 PolarHBondContact O-N 3.49Å; K94-E97 PolarHBondContact O-N 3Å; E97-Q99 PolarHBondContact O-N 3.17Å; E97-L100 PolarHBondContact O-N 3.14Å; E97-K101 VanDerWaalsContact O-CB 3.32Å; E97-K101 WeakPolarHBondContact O-CB 3.45Å; E97-K101 PolarHBondContact O-N 3.45Å
98E93.4Very high90.9Very high110 Ų110101 Ų10151%0.51449%0.485SS..Hα-helixtrans-59.3-45.4176.8-72169.5-175.700111.7K94 K101 L102K94-E98 WeakPolarHBondContact CE-OE1 3.5Å; K94-E98 WeakPolarHBondContact O-CG 3.49Å; K94-E98 PolarHBondContact O-N 2.71Å; K94-E98 VanDerWaalsContact O-N 3.07Å; E98-K101 PolarHBondContact O-N 2.81Å; E98-L102 WeakPolarHBondContact O-CB 3.42Å; E98-L102 PolarHBondContact O-N 3.39Å
99Q91.3Very high90.8Very high79 Ų79101.5 Ų101.537%0.36949%0.489SS..Hα-helixtrans-65.4-44.4177.7-77.1-66.2-34.400112.7M91 K95 K96 E97 L102 L103M91-Q99 HydrophobicContact SD-CG 4.41Å; K95-Q99 WeakPolarHBondContact O-CB 3.33Å; K95-Q99 VanDerWaalsContact O-CG 3.31Å; K95-Q99 WeakPolarHBondContact O-CG 3.48Å; K95-Q99 PolarHBondContact O-N 3.44Å; K96-Q99 PolarHBondContact O-N 3.4Å; E97-Q99 PolarHBondContact O-N 3.17Å; Q99-L102 PolarHBondContact O-N 3.42Å; Q99-L103 WeakPolarHBondContact O-CG 3.34Å; Q99-L103 PolarHBondContact O-N 3.04Å
100L90.1Very high90.5Very high17 Ų1799.6 Ų99.69%0.08948%0.483CS..Hα-helixtrans-63.4-43.9177.6-70.2177.9000110.9A84 F88 K96 E97 L102 L103 K104 T111A84-L100 HydrophobicContact CB-CD2 3.79Å; F88-L100 HydrophobicContact CD2-CD2 3.97Å; K96-L100 HydrophobicContact CG-CD1 3.98Å; K96-L100 HydrophobicContact CG-CG 4.39Å; K96-L100 WeakPolarHBondContact O-CB 3.49Å; K96-L100 VanDerWaalsContact O-CG 3.28Å; K96-L100 WeakPolarHBondContact O-CG 3.41Å; K96-L100 PolarHBondContact O-N 3.2Å; E97-L100 PolarHBondContact O-N 3.14Å; L100-L102 PolarHBondContact O-N 3.06Å; L100-L103 PolarHBondContact O-N 3.44Å; L100-K104 WeakPolarHBondContact O-CB 3.4Å; L100-K104 PolarHBondContact O-N 3.35Å; L100-T111 HydrophobicContact CB-CG2 3.96Å; L100-T111 HydrophobicContact CD2-CG2 3.93Å; L100-T111 HydrophobicContact CG-CG2 4.49Å; L100-T111 WeakPolarHBondContact O-CG2 3.47Å
101K92.4Very high90.5Very high134 Ų13493 Ų9358%0.58346%0.455SS*.Hα-helixtrans-59.7-46.4176.4-173.1177.2175.3-177.50111.4E97 E98 L103 K104 E105E97-K101 VanDerWaalsContact O-CB 3.32Å; E97-K101 WeakPolarHBondContact O-CB 3.45Å; E97-K101 PolarHBondContact O-N 3.45Å; E98-K101 PolarHBondContact O-N 2.81Å; K101-L103 PolarHBondContact O-N 2.85Å; K101-K104 PolarHBondContact O-N 3.11Å; K101-E105 WeakPolarHBondContact CE-OE1 3.38Å; K101-E105 HydrophobicContact CG-CG 4.48Å; K101-E105 IonicContact NZ-OE1 3.98Å; K101-E105 WeakPolarHBondContact O-CG 3.31Å; K101-E105 PolarHBondContact O-N 3.44Å
102L93.2Very high90.3Very high92 Ų9293.1 Ų93.148%0.48246%0.458SS..Hα-helixtrans-60-43.7178-17669.3000112.2E98 Q99 L100 K104 E105 K106E98-L102 WeakPolarHBondContact O-CB 3.42Å; E98-L102 PolarHBondContact O-N 3.39Å; Q99-L102 PolarHBondContact O-N 3.42Å; L100-L102 PolarHBondContact O-N 3.06Å; L102-K104 VanDerWaalsContact C-N 3.35Å; L102-E105 PolarHBondContact O-N 3.12Å; L102-K106 WeakPolarHBondContact O-CB 3.36Å; L102-K106 PolarHBondContact O-N 2.75Å
103L90.9Very high89.8Confident29 Ų2992.5 Ų92.515%0.15246%0.459CS..Hα-helixtrans-66.1-37.9178-72.3171.1000112.3F88 Q99 L100 K101 Y107 I109F88-L103 HydrophobicContact CD2-CD1 4.29Å; F88-L103 HydrophobicContact CE2-CD1 3.39Å; F88-L103 HydrophobicContact CZ-CD1 3.91Å; Q99-L103 WeakPolarHBondContact O-CG 3.34Å; Q99-L103 PolarHBondContact O-N 3.04Å; L100-L103 PolarHBondContact O-N 3.44Å; K101-L103 PolarHBondContact O-N 2.85Å; L103-Y107 HydrophobicContact CD2-CD2 3.95Å; L103-Y107 HydrophobicContact CD2-CE2 4.14Å; L103-Y107 PolarHBondContact O-N 3.13Å; L103-I109 HydrophobicContact CB-CD1 4.46Å; L103-I109 HydrophobicContact CD2-CD1 4.37Å
104K90.3Very high89.2Confident118 Ų11889.9 Ų89.951%0.51344%0.444SS..Hα-helixtrans-66.4-45.6176.1-172.8171.9-177.8172.30111.5L100 K101 L102 G108 T111L100-K104 WeakPolarHBondContact O-CB 3.4Å; L100-K104 PolarHBondContact O-N 3.35Å; K101-K104 PolarHBondContact O-N 3.11Å; L102-K104 VanDerWaalsContact C-N 3.35Å; K104-G108 WeakPolarHBondContact O-CA 3.23Å; K104-G108 PolarHBondContact O-N 3.35Å; K104-T111 HydrophobicContact CB-CG2 4.12Å
105E92.4Very high88.1Confident133 Ų13394.4 Ų94.462%0.62146%0.464SS*.Hα-helixtrans-68.1-43.8179.2-73.1176.2175.900112.3K101 L102K101-E105 WeakPolarHBondContact CE-OE1 3.38Å; K101-E105 HydrophobicContact CG-CG 4.48Å; K101-E105 IonicContact NZ-OE1 3.98Å; K101-E105 WeakPolarHBondContact O-CG 3.31Å; K101-E105 PolarHBondContact O-N 3.44Å; L102-E105 PolarHBondContact O-N 3.12Å
106K93Very high87.9Confident139 Ų13992.4 Ų92.460%0.60446%0.458SS*.Hα-helixtrans-79.1-36.1-173.9-169.2173.2-179.8-174.90113.8L102L102-K106 WeakPolarHBondContact O-CB 3.36Å; L102-K106 PolarHBondContact O-N 2.75Å
107Y90.1Very high87.7Confident145 Ų14594.8 Ų94.857%0.56947%0.472SS*.Hα-helixtrans-129-0.2-170.1-54.5-65.2000114.1L103 I109L103-Y107 HydrophobicContact CD2-CD2 3.95Å; L103-Y107 HydrophobicContact CD2-CE2 4.14Å; L103-Y107 PolarHBondContact O-N 3.13Å; Y107-I109 VanDerWaalsContact C-N 3.26Å; Y107-I109 HydrophobicContact CD2-CD1 4.29Å; Y107-I109 HydrophobicContact CG-CD1 4.44Å; Y107-I109 PolarHBondContact O-N 3.11Å
108G86.7Confident87.5Confident64 Ų6492.9 Ų92.966%0.6646%0.464SS*.  trans65.425.5179.500000114.3K104K104-G108 WeakPolarHBondContact O-CA 3.23Å; K104-G108 PolarHBondContact O-N 3.35Å
109I85.8Confident87.2Confident54 Ų5491.9 Ų91.928%0.27746%0.461SS..  trans-74.3143.1-175.1-64.3169.9000110.8A84 L103 Y107 T111A84-I109 HydrophobicContact CB-CG2 4.25Å; L103-I109 HydrophobicContact CB-CD1 4.46Å; L103-I109 HydrophobicContact CD2-CD1 4.37Å; Y107-I109 VanDerWaalsContact C-N 3.26Å; Y107-I109 HydrophobicContact CD2-CD1 4.29Å; Y107-I109 HydrophobicContact CG-CD1 4.44Å; Y107-I109 PolarHBondContact O-N 3.11Å; I109-T111 PolarHBondContact O-N 2.68Å
110N84.7Confident86.9Confident79 Ų7992.8 Ų92.842%0.42247%0.467SS..  trans-68.1118.8169.9-174.5-6.2000110.9D112N110-D112 VanDerWaalsContact OD1-CB 3.31Å; N110-D112 WeakPolarHBondContact OD1-CB 3.16Å; N110-D112 PolarHBondContact OD1-N 2.98Å; N110-D112 PolarHBondContact OD1-OD2 3.3Å
111T85.6Confident86.7Confident18 Ų1897.8 Ų97.811%0.1149%0.492CS..  trans-1093.7-17956.60000113.6N85 L100 K104 I109N85-T111 WeakPolarHBondContact CB-O 3.46Å; N85-T111 PolarHBondContact ND2-O 3.11Å; L100-T111 HydrophobicContact CB-CG2 3.96Å; L100-T111 HydrophobicContact CD2-CG2 3.93Å; L100-T111 HydrophobicContact CG-CG2 4.49Å; L100-T111 WeakPolarHBondContact O-CG2 3.47Å; K104-T111 HydrophobicContact CB-CG2 4.12Å; I109-T111 PolarHBondContact O-N 2.68Å
112D84.9Confident86.3Confident93 Ų9395.2 Ų95.250%0.49749%0.486SS..SBendtrans-69151.1-179.1-58.1-26.6000110N83 N110N83-D112 PolarHBondContact ND2-O 3.48Å; N110-D112 VanDerWaalsContact OD1-CB 3.31Å; N110-D112 WeakPolarHBondContact OD1-CB 3.16Å; N110-D112 PolarHBondContact OD1-N 2.98Å; N110-D112 PolarHBondContact OD1-OD2 3.3Å
113P82Confident85.8Confident90 Ų9095.5 Ų95.558%0.58449%0.486SS*.PPolyproline II helixtrans-54.9148.8170.5-22.433.5000111.1
114P78.4Confident85.3Confident45 Ų45101 Ų10129%0.29251%0.514SS..PPolyproline II helixtrans-57.5142.1172.65.8-4.2000110.4R86R86-P114 HydrophobicContact CG-CG 3.78Å; R86-P114 VanDerWaalsContact CZ-CG 3.42Å
115K70.1Confident84.9Confident234 Ų23499.5 Ų99.5100%1.01751%0.514SS*.  trans-64.70174.2-64.9-178-178.2173.80111.8

Retrieved 115 of 115 residues in 442.5 ms (Link to these results)

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