A0A087XS30_POEFO Loading...

Multifunctional methyltransferase subunit TRM112-like protein

AlphaFold DB , UniProt , Accession A0A087XS30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 123 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
1M96.6Very high96.5Very high11 Ų1132.4 Ų32.45%0.05417%0.171CC..  0115.20-175.2-160.766.800108.8T5 H6 L9 E92 V93 L98 I109 G112 P114M1-T5 HydrophobicContact CG-CG2 4.08Å; M1-H6 HydrophobicContact CE-CB 3.7Å; M1-H6 HydrophobicContact SD-CB 4.34Å; M1-L9 HydrophobicContact SD-CD1 4.21Å; M1-E92 WeakPolarHBondContact O-CA 3.46Å; M1-V93 HydrophobicContact CE-CB 4.45Å; M1-V93 HydrophobicContact CE-CG2 4.34Å; M1-V93 PolarHBondContact N-O 3.35Å; M1-V93 PolarHBondContact O-N 2.76Å; M1-L98 HydrophobicContact CE-CD2 4.21Å; M1-L98 HydrophobicContact SD-CD1 4.14Å; M1-I109 HydrophobicContact CB-CG2 4.35Å; M1-I109 HydrophobicContact CE-CD1 3.91Å; M1-I109 HydrophobicContact SD-CD1 4.18Å; M1-G112 WeakPolarHBondContact CA-O 3.27Å; M1-G112 VanDerWaalsContact CB-O 3.31Å; M1-G112 WeakPolarHBondContact CB-O 3.39Å; M1-G112 PolarHBondContact N-O 2.71Å; M1-P114 HydrophobicContact CG-CG 4.13Å; M1-P114 HydrophobicContact SD-CB 4.04Å; M1-P114 HydrophobicContact SD-CG 3.87Å
2K97.3Very high96.2Very high58 Ų5842.3 Ų42.325%0.25222%0.215SC..BIsolated β-bridgetrans-68.9150.7175.7-62.4-179.7-175.8-62.30110.6L4 T5 H6 L89 E92K2-L4 PolarHBondContact O-N 3.23Å; K2-T5 WeakPolarHBondContact O-CB 3.37Å; K2-T5 PolarHBondContact O-N 3.34Å; K2-H6 PolarHBondContact O-N 3.11Å; K2-L89 HydrophobicContact CD-CD2 4.08Å; K2-L89 WeakPolarHBondContact CD-O 3.02Å; K2-L89 PolarHBondContact NZ-O 2.69Å; K2-E92 WeakPolarHBondContact CE-OE1 3.27Å; K2-E92 HydrophobicContact CG-CG 3.75Å; K2-E92 IonicContact NZ-OE1 3.38Å; K2-E92 PolarHBondContact NZ-OE1 2.79Å
3L97.2Very high95.9Very high0 Ų040.2 Ų40.20%021%0.206CC..Hα-helixtrans-64.4-23.4176.4-70.3-172.9000113.3T5 H6 N7 I24 L53 A56 L60 V87L3-T5 VanDerWaalsContact C-N 3.29Å; L3-T5 PolarHBondContact O-N 3.28Å; L3-H6 HydrophobicContact CD2-CB 4.38Å; L3-H6 WeakPolarHBondContact O-CB 3.32Å; L3-H6 PolarHBondContact O-N 2.84Å; L3-N7 PolarHBondContact O-N 3.23Å; L3-I24 HydrophobicContact CD2-CD1 3.63Å; L3-L53 HydrophobicContact CB-CD1 3.99Å; L3-L53 HydrophobicContact CD1-CD1 4.41Å; L3-A56 HydrophobicContact CD1-CB 4.35Å; L3-A56 HydrophobicContact CD2-CB 3.91Å; L3-L60 HydrophobicContact CD1-CD1 4.2Å; L3-L60 HydrophobicContact CD2-CD1 3.7Å; L3-L60 HydrophobicContact CG-CD1 4.2Å; L3-V87 WeakPolarHBondContact CB-O 3.42Å; L3-V87 HydrophobicContact CD1-CG1 3.56Å; L3-V87 WeakPolarHBondContact CD1-O 3.38Å
4L97.1Very high95.5Very high30 Ų3047.2 Ų47.216%0.15723%0.234CC..Hα-helixtrans-55.9-44.7168.1177.354.9000112.5K2 N7 M8 F40 M44 L48 L88 L89K2-L4 PolarHBondContact O-N 3.23Å; L4-N7 PolarHBondContact O-N 3.48Å; L4-M8 HydrophobicContact CD1-CE 4.13Å; L4-M8 WeakPolarHBondContact O-CG 3.12Å; L4-F40 HydrophobicContact CD2-CE1 4.43Å; L4-F40 HydrophobicContact CD2-CZ 4.01Å; L4-M44 HydrophobicContact CD1-CE 3.29Å; L4-M44 HydrophobicContact CD2-CE 4.02Å; L4-M44 HydrophobicContact CG-CE 4.26Å; L4-L48 HydrophobicContact CD1-CD2 3.77Å; L4-L88 HydrophobicContact CB-CD1 3.7Å; L4-L88 HydrophobicContact CB-CG 3.9Å; L4-L88 HydrophobicContact CD1-CD1 3.98Å; L4-L88 HydrophobicContact CD1-CG 4.42Å; L4-L88 HydrophobicContact CG-CD1 4.4Å; L4-L88 PolarHBondContact N-O 2.74Å; L4-L88 VanDerWaalsContact N-O 3.09Å; L4-L89 HydrophobicContact CB-CD2 4.41Å; L4-L89 HydrophobicContact CD2-CD2 4Å
5T96.4Very high95.1Very high62 Ų6248.7 Ų48.738%0.3827%0.266SS..Hα-helixtrans-65.6-46179.4-55.70000110.1M1 K2 L3 N7 M8 L9M1-T5 HydrophobicContact CG-CG2 4.08Å; K2-T5 WeakPolarHBondContact O-CB 3.37Å; K2-T5 PolarHBondContact O-N 3.34Å; L3-T5 VanDerWaalsContact C-N 3.29Å; L3-T5 PolarHBondContact O-N 3.28Å; T5-N7 VanDerWaalsContact C-N 3.27Å; T5-N7 PolarHBondContact O-N 3.35Å; T5-M8 PolarHBondContact O-N 2.82Å; T5-L9 HydrophobicContact CG2-CD1 4.19Å; T5-L9 HydrophobicContact CG2-CG 4.47Å; T5-L9 WeakPolarHBondContact O-CG 3.17Å; T5-L9 PolarHBondContact O-N 3.46Å
6H97.9Very high94.8Very high1 Ų147.4 Ų47.41%0.00526%0.26CS..Hα-helixtrans-52.6-45.4176.1166.8-96.4000112.5M1 K2 L3 M8 L9 L22 I24M1-H6 HydrophobicContact CE-CB 3.7Å; M1-H6 HydrophobicContact SD-CB 4.34Å; K2-H6 PolarHBondContact O-N 3.11Å; L3-H6 HydrophobicContact CD2-CB 4.38Å; L3-H6 WeakPolarHBondContact O-CB 3.32Å; L3-H6 PolarHBondContact O-N 2.84Å; H6-M8 PolarHBondContact O-N 3.24Å; H6-L9 PolarHBondContact O-N 2.88Å; H6-L22 PolarHBondContact NE2-O 2.83Å; H6-I24 HydrophobicContact CB-CD1 4.43Å
7N97.3Very high94.6Very high6 Ų651.6 Ų51.63%0.03229%0.288CS..Hα-helixtrans-63.3-17.5-177.1-157.3-106.4000113.3L3 L4 T5 Y20 L48 E49 L53L3-N7 PolarHBondContact O-N 3.23Å; L4-N7 PolarHBondContact O-N 3.48Å; T5-N7 VanDerWaalsContact C-N 3.27Å; T5-N7 PolarHBondContact O-N 3.35Å; N7-Y20 PolarHBondContact ND2-OH 3.35Å; N7-Y20 VanDerWaalsContact O-CE2 3.3Å; N7-Y20 WeakPolarHBondContact O-CE2 3.49Å; N7-Y20 PolarHBondContact O-OH 3.17Å; N7-L48 HydrophobicContact CB-CD2 4.24Å; N7-L48 VanDerWaalsContact OD1-CA 3.25Å; N7-L48 WeakPolarHBondContact OD1-CA 3.44Å; N7-L48 WeakPolarHBondContact OD1-CD2 3.47Å; N7-E49 PolarHBondContact ND2-O 3.1Å; N7-E49 PolarHBondContact OD1-N 3.46Å; N7-L53 PolarHBondContact ND2-N 2.89Å
8M95.6Very high94.4Very high99 Ų9957.3 Ų57.349%0.48831%0.309SS..THydrogen-bonded Turntrans-100.3-4.8179-58.2-69.1158.700113.5L4 T5 H6 M44 K47 L48L4-M8 HydrophobicContact CD1-CE 4.13Å; L4-M8 WeakPolarHBondContact O-CG 3.12Å; T5-M8 PolarHBondContact O-N 2.82Å; H6-M8 PolarHBondContact O-N 3.24Å; M8-M44 HydrophobicContact CE-CE 4.29Å; M8-K47 HydrophobicContact CE-CB 4.49Å; M8-L48 HydrophobicContact CE-CD2 4.03Å
9L96.2Very high94.3Very high35 Ų3554.6 Ų54.618%0.18330%0.296CS..  trans-96.1130.8-176.9-68.7174.7000111.5M1 T5 H6 Y20 L22 L98 P114 M116M1-L9 HydrophobicContact SD-CD1 4.21Å; T5-L9 HydrophobicContact CG2-CD1 4.19Å; T5-L9 HydrophobicContact CG2-CG 4.47Å; T5-L9 WeakPolarHBondContact O-CG 3.17Å; T5-L9 PolarHBondContact O-N 3.46Å; H6-L9 PolarHBondContact O-N 2.88Å; L9-Y20 WeakPolarHBondContact O-CD2 3.38Å; L9-L22 HydrophobicContact CB-CD1 3.79Å; L9-L98 HydrophobicContact CD1-CD1 3.68Å; L9-P114 HydrophobicContact CD1-CB 4.12Å; L9-P114 HydrophobicContact CD1-CG 3.87Å; L9-M116 HydrophobicContact CD1-SD 4.29Å; L9-M116 HydrophobicContact CD2-CG 4.11Å
10T95.5Very high94.4Very high50 Ų5054.9 Ų54.931%0.30729%0.293SS..  trans-128.7141.7177.5-62.10000109.5H12 Y20T10-H12 PolarHBondContact O-CD2 2.82Å; T10-Y20 WeakPolarHBondContact OG1-CD2 3.49Å
11S94.3Very high94.5Very high4 Ų453.7 Ų53.73%0.02829%0.289CS..  trans-73.3131.2170.5-179.40000110.6V13 G19 C100S11-V13 WeakPolarHBondContact OG-CG2 3.24Å; S11-V13 PolarHBondContact OG-N 3.37Å; S11-G19 PolarHBondContact N-O 2.95Å; S11-C100 WeakPolarHBondContact CB-SG 3.38Å; S11-C100 PolarHBondContact OG-SG 3.12Å
12H92.9Very high94.6Very high151 Ų15153.2 Ų53.270%0.69929%0.286SS*.  trans-116.925173.4-66.7-70.6000112.2T10 K14T10-H12 PolarHBondContact O-CD2 2.82Å; H12-K14 PolarHBondContact O-N 3.13Å
13V92.4Very high94.6Very high15 Ų1552.9 Ų52.99%0.09129%0.287CS..  trans-55.9137.3174174.60000109.4S11 G15 V16 R105 F107 V118 E122S11-V13 WeakPolarHBondContact OG-CG2 3.24Å; S11-V13 PolarHBondContact OG-N 3.37Å; V13-G15 PolarHBondContact O-N 3.49Å; V13-V16 HydrophobicContact CB-CG2 3.93Å; V13-V16 HydrophobicContact CG1-CG2 4.35Å; V13-V16 WeakPolarHBondContact O-CB 3.23Å; V13-V16 WeakPolarHBondContact O-CG2 3.36Å; V13-V16 PolarHBondContact O-N 3.41Å; V13-R105 HydrophobicContact CG2-CB 4.13Å; V13-R105 HydrophobicContact CG2-CG 4.04Å; V13-F107 HydrophobicContact CG2-CZ 3.9Å; V13-V118 HydrophobicContact CG2-CG1 4.11Å; V13-E122 HydrophobicContact CG1-CB 4.48Å
14K90.7Very high94.6Very high139 Ų13953.3 Ų53.360%0.60429%0.289SS*.THydrogen-bonded Turntrans-48.2130.1-179.5-170.7-177.1-160.2149.40112.5H12 V16 E122 A123H12-K14 PolarHBondContact O-N 3.13Å; K14-V16 VanDerWaalsContact C-N 3.27Å; K14-V16 PolarHBondContact O-N 3.43Å; K14-E122 WeakPolarHBondContact CB-O 3.49Å; K14-E122 PolarHBondContact N-O 3.41Å; K14-A123 WeakPolarHBondContact CD-O 3.41Å
15G89.2Confident94.6Very high69 Ų6956.1 Ų56.171%0.71130%0.3SS*.THydrogen-bonded Turntrans82.2-6.2179.200000115.1V13V13-G15 PolarHBondContact O-N 3.49Å
16V90.9Very high94.6Very high29 Ų2955 Ų5518%0.17630%0.296CS..  trans-75.7129.3174172.10000110.2V13 K14 G19 E102V13-V16 HydrophobicContact CB-CG2 3.93Å; V13-V16 HydrophobicContact CG1-CG2 4.35Å; V13-V16 WeakPolarHBondContact O-CB 3.23Å; V13-V16 WeakPolarHBondContact O-CG2 3.36Å; V13-V16 PolarHBondContact O-N 3.41Å; K14-V16 VanDerWaalsContact C-N 3.27Å; K14-V16 PolarHBondContact O-N 3.43Å; V16-G19 VanDerWaalsContact CG1-CA 3.47Å; V16-E102 WeakPolarHBondContact CA-OE2 3.31Å; V16-E102 HydrophobicContact CG1-CB 4.23Å; V16-E102 WeakPolarHBondContact CG1-OE2 3.44Å
17T90.3Very high94.6Very high118 Ų11860.6 Ų60.672%0.72433%0.331SS*.SBendtrans-107.2-24.3173.960.20000112.1E102T17-E102 PolarHBondContact N-OE2 3.22Å; T17-E102 PolarHBondContact OG1-OE1 2.86Å; T17-E102 PolarHBondContact OG1-OE2 3.16Å
18K91.9Very high94.6Very high154 Ų15463.8 Ų63.867%0.6735%0.346SS*.  trans-12275.6178.8-65.9-178.1-178.6178.50109.3Y20 P101 E102K18-Y20 VanDerWaalsContact C-N 3.34Å; K18-P101 WeakPolarHBondContact O-CG 3.26Å; K18-E102 PolarHBondContact N-OE2 3.39Å
19G92.7Very high94.7Very high6 Ų661.7 Ų61.76%0.06234%0.338CS..  trans-86.82179.800000115.3S11 V16 L22S11-G19 PolarHBondContact N-O 2.95Å; V16-G19 VanDerWaalsContact CG1-CA 3.47Å; G19-L22 WeakPolarHBondContact O-CD2 3.44Å
20Y96.4Very high94.7Very high60 Ų6064.5 Ų64.524%0.23535%0.349CS..  trans-138.2145.7-170.1-172.3-89.9000111.8N7 L9 T10 K18 E49 A52N7-Y20 PolarHBondContact ND2-OH 3.35Å; N7-Y20 VanDerWaalsContact O-CE2 3.3Å; N7-Y20 WeakPolarHBondContact O-CE2 3.49Å; N7-Y20 PolarHBondContact O-OH 3.17Å; L9-Y20 WeakPolarHBondContact O-CD2 3.38Å; T10-Y20 WeakPolarHBondContact OG1-CD2 3.49Å; K18-Y20 VanDerWaalsContact C-N 3.34Å; Y20-E49 HydrophobicContact CE1-CB 3.79Å; Y20-E49 HydrophobicContact CE1-CG 3.76Å; Y20-E49 VanDerWaalsContact OH-CB 3.27Å; Y20-E49 WeakPolarHBondContact OH-CB 3.44Å; Y20-A52 HydrophobicContact CE1-CB 3.62Å; Y20-A52 WeakPolarHBondContact OH-CB 3.42Å
21P96.8Very high94.7Very high31 Ų3165.1 Ų65.120%0.20135%0.353CS..SBendcis-75.1153.8-11.431.3-34.9000112.1A52 P101P21-A52 HydrophobicContact CB-CB 3.66Å; P21-A52 HydrophobicContact CG-CB 4.1Å; P21-P101 WeakPolarHBondContact O-CD 3.3Å; P21-P101 WeakPolarHBondContact O-CG 3.49Å
22L97.4Very high94.7Very high0 Ų068.2 Ų68.20%037%0.369CS..PPolyproline II helixtrans-73.1135172-61.3172.1000110H6 L9 G19 L98 Q99 C100 F107 M116H6-L22 PolarHBondContact NE2-O 2.83Å; L9-L22 HydrophobicContact CB-CD1 3.79Å; G19-L22 WeakPolarHBondContact O-CD2 3.44Å; L22-L98 HydrophobicContact CB-CB 4.05Å; L22-L98 HydrophobicContact CD1-CB 4.05Å; L22-L98 HydrophobicContact CD1-CD1 3.86Å; L22-Q99 WeakPolarHBondContact CA-O 3.22Å; L22-C100 HydrophobicContact CD2-CB 4.41Å; L22-F107 HydrophobicContact CD2-CD2 4.47Å; L22-F107 HydrophobicContact CD2-CE2 4.31Å; L22-M116 HydrophobicContact CD1-CE 3.69Å; L22-M116 HydrophobicContact CD1-SD 4.39Å
23L97.3Very high94.8Very high51 Ų5169.8 Ų69.827%0.26738%0.377SS..EExtended strand (participates in β ladder)trans-78.4130.6177.4-56.9171.7000110L98 Q99L23-L98 CarbonylContact O-C 3.58Å; L23-L98 WeakPolarHBondContact O-CA 3.42Å; L23-Q99 HydrophobicContact CB-CB 4.25Å; L23-Q99 PolarHBondContact N-O 3.1Å; L23-Q99 PolarHBondContact O-N 2.9Å
24I97.9Very high95Very high9 Ų971.6 Ų71.65%0.04639%0.388CS..EExtended strand (participates in β ladder)trans-90.1127.9178.5-52.3-178.6000109.8L3 H6 A26 A56 Q59 L60 V93 L98L3-I24 HydrophobicContact CD2-CD1 3.63Å; H6-I24 HydrophobicContact CB-CD1 4.43Å; I24-A26 HydrophobicContact CG2-CB 4.23Å; I24-A56 HydrophobicContact CD1-CB 3.68Å; I24-Q59 HydrophobicContact CB-CB 4.44Å; I24-L60 HydrophobicContact CG2-CD2 3.9Å; I24-V93 HydrophobicContact CG2-CG2 4.1Å; I24-L98 HydrophobicContact CG1-CD2 3.88Å
25K96.5Very high95.3Very high90 Ų9072.4 Ų72.439%0.39140%0.399SS..EExtended strand (participates in β ladder)trans-118.988.3165.6-60.4179.7-170.6167.30108.2G96 C97 E106K25-G96 CarbonylContact O-C 3.53Å; K25-G96 WeakPolarHBondContact O-CA 3.37Å; K25-C97 PolarHBondContact N-O 2.94Å; K25-C97 PolarHBondContact O-N 3.32Å; K25-E106 IonicContact NZ-OE1 2.84Å; K25-E106 PolarHBondContact NZ-OE1 3.32Å
26A96.8Very high95.7Very high37 Ų3772.2 Ų72.231%0.30638%0.378SS..EExtended strand (participates in β ladder)trans-83.6137.5-179.800000111.1I24 V29 L60 V93I24-A26 HydrophobicContact CG2-CB 4.23Å; A26-V29 HydrophobicContact CB-CG2 3.6Å; A26-L60 HydrophobicContact CB-CD2 3.47Å; A26-L60 VanDerWaalsContact CB-CD2 3.47Å; A26-V93 HydrophobicContact CB-CG1 3.8Å; A26-V93 HydrophobicContact CB-CG2 4.27Å
27T96.9Very high95.9Very high120 Ų12074.7 Ų74.774%0.73639%0.39SS*.EExtended strand (participates in β ladder)trans-107-27.1170.153.10000111.7E95T27-E95 PolarHBondContact N-O 3.23Å; T27-E95 VanDerWaalsContact OG1-CB 3.28Å; T27-E95 WeakPolarHBondContact OG1-CB 3.47Å; T27-E95 PolarHBondContact OG1-O 3.43Å; T27-E95 VanDerWaalsContact OG1-O 3.12Å
28E97.5Very high96.2Very high72 Ų7271.5 Ų71.534%0.33637%0.372SS..EExtended strand (participates in β ladder)trans-136.4127.3172.3-173-175.716200110K30 I94 E95E28-K30 WeakPolarHBondContact OE1-CE 3.48Å; E28-K30 IonicContact OE1-NZ 2.69Å; E28-K30 PolarHBondContact OE1-NZ 3.03Å; E28-I94 HydrophobicContact CB-CB 4.14Å; E28-I94 HydrophobicContact CG-CB 3.96Å; E28-I94 HydrophobicContact CG-CG1 4.34Å; E28-I94 HydrophobicContact CG-CG2 4.48Å; E28-I94 PolarHBondContact O-N 3.21Å; E28-E95 HydrophobicContact CB-CB 3.96Å; E28-E95 HydrophobicContact CB-CG 4.29Å; E28-E95 PolarHBondContact N-O 2.88Å; E28-E95 VanDerWaalsContact N-O 3.11Å; E28-E95 PolarHBondContact O-N 3.47Å
29V97.2Very high96.4Very high55 Ų5571.4 Ų71.433%0.33337%0.372SS..EExtended strand (participates in β ladder)trans-124.3139.5176.5-176.60000108.5A26 L60 V91 E92A26-V29 HydrophobicContact CB-CG2 3.6Å; V29-L60 HydrophobicContact CG2-CD2 3.93Å; V29-V91 HydrophobicContact CG1-CG1 3.92Å; V29-E92 CarbonylContact C-O 3.58Å; V29-E92 WeakPolarHBondContact CA-O 3.19Å
30K96.4Very high96.6Very high95 Ų9574.8 Ų74.841%0.41339%0.385SS..EExtended strand (participates in β ladder)trans-125146.3172.2-73.4-176.8179.9138.10110.1E28 E92 I94E28-K30 WeakPolarHBondContact OE1-CE 3.48Å; E28-K30 IonicContact OE1-NZ 2.69Å; E28-K30 PolarHBondContact OE1-NZ 3.03Å; K30-E92 PolarHBondContact N-O 3.42Å; K30-E92 PolarHBondContact O-N 3.13Å; K30-I94 HydrophobicContact CB-CD1 4.17Å; K30-I94 HydrophobicContact CB-CG1 3.99Å; K30-I94 HydrophobicContact CD-CD1 4.03Å; K30-I94 HydrophobicContact CD-CG1 3.77Å; K30-I94 HydrophobicContact CG-CD1 4.26Å; K30-I94 HydrophobicContact CG-CG1 3.71Å
31V95.6Very high96.6Very high63 Ų6372 Ų7238%0.38237%0.374SS..EExtended strand (participates in β ladder)trans-108.8114.5170.9-175.80000107.1E90V31-E90 CarbonylContact C-O 3.6Å; V31-E90 WeakPolarHBondContact CA-O 3.39Å; V31-E90 HydrophobicContact CG1-CB 4.19Å
32N94.8Very high96.6Very high68 Ų6871.3 Ų71.336%0.36437%0.37SS..  trans-115.5120.3-179.8-64.8-38.6000108.7V34 E90 E92N32-V34 PolarHBondContact O-N 3.31Å; N32-E90 PolarHBondContact N-O 3.01Å; N32-E90 VanDerWaalsContact O-CA 3.23Å; N32-E90 WeakPolarHBondContact O-CA 3.36Å; N32-E90 WeakPolarHBondContact O-CB 3.4Å; N32-E90 WeakPolarHBondContact O-CG 3.44Å; N32-E92 PolarHBondContact ND2-OE2 3.28Å
33E95.1Very high96.5Very high185 Ų18580.1 Ų80.186%0.86440%0.403SS*.  trans-61.4137.1177.5-68.6-175.8167.700111.1
34V96.1Very high96.5Very high53 Ų5379 Ų7932%0.32140%0.396SS..  trans-131.3140.8176.8178.70000108N32 F36 H85 E90N32-V34 PolarHBondContact O-N 3.31Å; V34-F36 PolarHBondContact O-N 3.14Å; V34-F36 VanDerWaalsContact O-N 3.13Å; V34-H85 PolarHBondContact O-CE1 3.06Å; V34-H85 PolarHBondContact O-NE2 3.2Å; V34-E90 HydrophobicContact CB-CG 4.34Å; V34-E90 HydrophobicContact CG2-CG 4.41Å; V34-E90 PolarHBondContact N-OE1 3.39Å
35D97.3Very high96.4Very high156 Ų15678.7 Ų78.783%0.83440%0.395SS*.  trans-53.5122.1177.6-70.3-35.9000111.5N37 H85D35-N37 PolarHBondContact O-N 2.8Å; D35-H85 PolarHBondContact O-CE1 3.16Å
36F97.6Very high96.3Very high64 Ų6478.8 Ų78.828%0.28141%0.405SS..  trans-66.9121.9-179.3174.8-120.8000111V34 P38 V41 E78 L81 K82 H85V34-F36 PolarHBondContact O-N 3.14Å; V34-F36 VanDerWaalsContact O-N 3.13Å; F36-P38 HydrophobicContact CE1-CB 3.95Å; F36-P38 HydrophobicContact CE1-CG 4.03Å; F36-P38 HydrophobicContact CE2-CB 4.4Å; F36-P38 HydrophobicContact CZ-CB 3.67Å; F36-P38 HydrophobicContact CZ-CG 4.25Å; F36-V41 HydrophobicContact CE2-CG2 4.35Å; F36-E78 HydrophobicContact CE1-CG 3.82Å; F36-E78 HydrophobicContact CZ-CG 4.17Å; F36-L81 HydrophobicContact CE2-CB 4.04Å; F36-L81 HydrophobicContact CZ-CB 3.82Å; F36-K82 HydrophobicContact CD1-CG 4.06Å; F36-K82 HydrophobicContact CD2-CG 4.11Å; F36-K82 HydrophobicContact CE1-CG 3.84Å; F36-K82 HydrophobicContact CE2-CG 3.9Å; F36-K82 HydrophobicContact CG-CG 4.18Å; F36-K82 HydrophobicContact CZ-CG 3.75Å; F36-H85 HydrophobicContact CD2-CB 3.76Å; F36-H85 AromaticContact CD2-CG 3.72Å; F36-H85 AromaticContact CD2-ND1 3.89Å; F36-H85 HydrophobicContact CE2-CB 4.02Å
37N96.6Very high96.2Very high81 Ų8183.8 Ų83.843%0.43342%0.42SS..  trans-124.496.5175.1-174.7-20.1000110.5D35 K39 F40 V41D35-N37 PolarHBondContact O-N 2.8Å; N37-K39 VanDerWaalsContact C-N 3.27Å; N37-K39 PolarHBondContact O-N 2.82Å; N37-K39 PolarHBondContact OD1-N 3.44Å; N37-F40 HydrophobicContact CB-CB 3.95Å; N37-F40 WeakPolarHBondContact O-CB 3.38Å; N37-F40 PolarHBondContact O-N 3.01Å; N37-F40 VanDerWaalsContact O-N 3.1Å; N37-F40 PolarHBondContact OD1-N 3.36Å; N37-V41 WeakPolarHBondContact O-CG2 3.08Å; N37-V41 PolarHBondContact O-N 3.24Å
38P95.8Very high96.2Very high51 Ų5178.7 Ų78.733%0.33139%0.388SS..Hα-helixtrans-61.5-35.9-175.721.6-31.6000112.2F36 F40 V41 C42 L81F36-P38 HydrophobicContact CE1-CB 3.95Å; F36-P38 HydrophobicContact CE1-CG 4.03Å; F36-P38 HydrophobicContact CE2-CB 4.4Å; F36-P38 HydrophobicContact CZ-CB 3.67Å; F36-P38 HydrophobicContact CZ-CG 4.25Å; P38-F40 VanDerWaalsContact C-N 3.3Å; P38-F40 PolarHBondContact O-N 3.32Å; P38-V41 PolarHBondContact O-N 3.34Å; P38-C42 PolarHBondContact O-N 3.4Å; P38-C42 PolarHBondContact O-SG 2.79Å; P38-L81 HydrophobicContact CB-CD1 4.02Å
39K96.3Very high96.2Very high153 Ų15380.5 Ų80.567%0.66540%0.396SS*.Hα-helixtrans-64.6-36.2178.7-66.7-179.7-179.5174.80112N37 R43N37-K39 VanDerWaalsContact C-N 3.27Å; N37-K39 PolarHBondContact O-N 2.82Å; N37-K39 PolarHBondContact OD1-N 3.44Å; K39-R43 WeakPolarHBondContact O-CB 3.37Å; K39-R43 WeakPolarHBondContact O-CD 3.5Å; K39-R43 VanDerWaalsContact O-CG 3.25Å; K39-R43 WeakPolarHBondContact O-CG 3.42Å; K39-R43 PolarHBondContact O-N 3.4Å
40F96.6Very high96.1Very high77 Ų7779.1 Ų79.134%0.33839%0.385SS..Hα-helixtrans-65.7-50.7175175.6-92.9000110.3L4 N37 P38 C42 R43 M44 L89L4-F40 HydrophobicContact CD2-CE1 4.43Å; L4-F40 HydrophobicContact CD2-CZ 4.01Å; N37-F40 HydrophobicContact CB-CB 3.95Å; N37-F40 WeakPolarHBondContact O-CB 3.38Å; N37-F40 PolarHBondContact O-N 3.01Å; N37-F40 VanDerWaalsContact O-N 3.1Å; N37-F40 PolarHBondContact OD1-N 3.36Å; P38-F40 VanDerWaalsContact C-N 3.3Å; P38-F40 PolarHBondContact O-N 3.32Å; F40-C42 PolarHBondContact O-N 3.14Å; F40-R43 PolarHBondContact O-N 3.14Å; F40-R43 VanDerWaalsContact O-N 3.16Å; F40-M44 HydrophobicContact CD1-CG 4.1Å; F40-M44 HydrophobicContact CD2-CG 4.34Å; F40-M44 HydrophobicContact CE1-CG 3.66Å; F40-M44 HydrophobicContact CE2-CG 3.95Å; F40-M44 HydrophobicContact CE2-SD 4.31Å; F40-M44 HydrophobicContact CG-CG 4.42Å; F40-M44 HydrophobicContact CZ-CG 3.6Å; F40-M44 HydrophobicContact CZ-SD 4.21Å; F40-M44 WeakPolarHBondContact O-CG 3.46Å; F40-M44 PolarHBondContact O-N 2.71Å; F40-L89 HydrophobicContact CD1-CD1 3.98Å; F40-L89 HydrophobicContact CE1-CD1 3.75Å; F40-L89 HydrophobicContact CE1-CD2 4.06Å; F40-L89 HydrophobicContact CE1-CG 4.35Å
41V96.8Very high96.1Very high0 Ų078.6 Ų78.60%039%0.393CS..Hα-helixtrans-59.6-48.3-178.5-177.90000111F36 N37 P38 R43 M44 I45 L81 V84 H85F36-V41 HydrophobicContact CE2-CG2 4.35Å; N37-V41 WeakPolarHBondContact O-CG2 3.08Å; N37-V41 PolarHBondContact O-N 3.24Å; P38-V41 PolarHBondContact O-N 3.34Å; V41-R43 VanDerWaalsContact C-N 3.27Å; V41-R43 PolarHBondContact O-N 2.87Å; V41-M44 PolarHBondContact O-N 2.69Å; V41-I45 HydrophobicContact CG1-CD1 3.95Å; V41-I45 HydrophobicContact CG1-CG1 4.3Å; V41-I45 WeakPolarHBondContact O-CG1 3.45Å; V41-I45 PolarHBondContact O-N 2.69Å; V41-L81 HydrophobicContact CB-CD2 4.27Å; V41-L81 HydrophobicContact CG1-CB 4.42Å; V41-L81 HydrophobicContact CG1-CD2 3.77Å; V41-V84 HydrophobicContact CG1-CB 3.93Å; V41-V84 HydrophobicContact CG1-CG1 3.69Å; V41-H85 HydrophobicContact CG2-CB 3.89Å
42C95.9Very high96.2Very high18 Ų1875.6 Ų75.612%0.12238%0.375CS..Hα-helixtrans-57.1-39.5177.2-68.20000112.8P38 F40 M44 P46 E75 L81P38-C42 PolarHBondContact O-N 3.4Å; P38-C42 PolarHBondContact O-SG 2.79Å; F40-C42 PolarHBondContact O-N 3.14Å; C42-M44 VanDerWaalsContact C-N 3.32Å; C42-P46 WeakPolarHBondContact O-CD 3.28Å; C42-E75 HydrophobicContact CB-CG 4.35Å; C42-L81 WeakPolarHBondContact SG-CD1 3.49Å
43R96.3Very high96.3Very high184 Ų18472.4 Ų72.469%0.69436%0.358SS*.Hα-helixtrans-74.2-24.1179-73.8174.6179.4-178-0.5113.4K39 F40 V41K39-R43 WeakPolarHBondContact O-CB 3.37Å; K39-R43 WeakPolarHBondContact O-CD 3.5Å; K39-R43 VanDerWaalsContact O-CG 3.25Å; K39-R43 WeakPolarHBondContact O-CG 3.42Å; K39-R43 PolarHBondContact O-N 3.4Å; F40-R43 PolarHBondContact O-N 3.14Å; F40-R43 VanDerWaalsContact O-N 3.16Å; V41-R43 VanDerWaalsContact C-N 3.27Å; V41-R43 PolarHBondContact O-N 2.87Å
44M95.9Very high96.4Very high27 Ų2764.2 Ų64.213%0.13332%0.321CS..Hα-helixtrans-84.5-39.7-180-71.4-54.8-6500111.7L4 M8 F40 V41 C42 P46 K47 L48 L88L4-M44 HydrophobicContact CD1-CE 3.29Å; L4-M44 HydrophobicContact CD2-CE 4.02Å; L4-M44 HydrophobicContact CG-CE 4.26Å; M8-M44 HydrophobicContact CE-CE 4.29Å; F40-M44 HydrophobicContact CD1-CG 4.1Å; F40-M44 HydrophobicContact CD2-CG 4.34Å; F40-M44 HydrophobicContact CE1-CG 3.66Å; F40-M44 HydrophobicContact CE2-CG 3.95Å; F40-M44 HydrophobicContact CE2-SD 4.31Å; F40-M44 HydrophobicContact CG-CG 4.42Å; F40-M44 HydrophobicContact CZ-CG 3.6Å; F40-M44 HydrophobicContact CZ-SD 4.21Å; F40-M44 WeakPolarHBondContact O-CG 3.46Å; F40-M44 PolarHBondContact O-N 2.71Å; V41-M44 PolarHBondContact O-N 2.69Å; C42-M44 VanDerWaalsContact C-N 3.32Å; M44-P46 VanDerWaalsContact C-N 3.34Å; M44-P46 VanDerWaalsContact O-N 3.16Å; M44-K47 WeakPolarHBondContact O-CA 3.38Å; M44-K47 WeakPolarHBondContact O-CB 3.48Å; M44-K47 PolarHBondContact O-N 3.18Å; M44-K47 HydrophobicContact SD-CD 4.37Å; M44-L48 WeakPolarHBondContact O-CG 3.4Å; M44-L48 PolarHBondContact O-N 3.12Å; M44-L88 HydrophobicContact CB-CD2 4.37Å
45I95.7Very high96.4Very high4 Ų465.4 Ų65.42%0.02132%0.323CS..G310 helixtrans-45.5-48.2-178.4-74.6166.6000113.5V41 K47 L48 L70 Y74 F80 L81 V84V41-I45 HydrophobicContact CG1-CD1 3.95Å; V41-I45 HydrophobicContact CG1-CG1 4.3Å; V41-I45 WeakPolarHBondContact O-CG1 3.45Å; V41-I45 PolarHBondContact O-N 2.69Å; I45-K47 PolarHBondContact O-N 3.22Å; I45-K47 VanDerWaalsContact O-N 3.12Å; I45-L48 PolarHBondContact O-N 3.12Å; I45-L48 VanDerWaalsContact O-N 3.1Å; I45-L70 HydrophobicContact CG2-CD1 3.7Å; I45-L70 HydrophobicContact CG2-CD2 3.62Å; I45-L70 HydrophobicContact CG2-CG 4.33Å; I45-Y74 HydrophobicContact CB-CE2 3.94Å; I45-Y74 HydrophobicContact CD1-CD2 3.54Å; I45-Y74 HydrophobicContact CD1-CE2 3.68Å; I45-Y74 HydrophobicContact CD1-CG 4.27Å; I45-Y74 HydrophobicContact CG1-CE2 4.42Å; I45-Y74 HydrophobicContact CG2-CD1 4.39Å; I45-Y74 HydrophobicContact CG2-CD2 4.36Å; I45-Y74 HydrophobicContact CG2-CE1 3.85Å; I45-Y74 HydrophobicContact CG2-CE2 3.82Å; I45-F80 HydrophobicContact CD1-CE1 4.02Å; I45-L81 HydrophobicContact CD1-CD2 3.76Å; I45-V84 HydrophobicContact CD1-CG1 4.38Å; I45-V84 HydrophobicContact CG1-CG1 4.22Å
46P95.1Very high96.4Very high91 Ų9158 Ų5859%0.59128%0.283SS*.G310 helixtrans-63.1-17.5178.3-2433000115.6C42 M44 Y74C42-P46 WeakPolarHBondContact O-CD 3.28Å; M44-P46 VanDerWaalsContact C-N 3.34Å; M44-P46 VanDerWaalsContact O-N 3.16Å; P46-Y74 WeakPolarHBondContact CG-OH 3.34Å
47K95.7Very high96.3Very high142 Ų14255 Ų5562%0.61727%0.27SS*.G310 helixtrans-98.1-5.6-179.6-54.1180-177.1-179.70112.4M8 M44 I45M8-K47 HydrophobicContact CE-CB 4.49Å; M44-K47 WeakPolarHBondContact O-CA 3.38Å; M44-K47 WeakPolarHBondContact O-CB 3.48Å; M44-K47 PolarHBondContact O-N 3.18Å; M44-K47 HydrophobicContact SD-CD 4.37Å; I45-K47 PolarHBondContact O-N 3.22Å; I45-K47 VanDerWaalsContact O-N 3.12Å
48L96.3Very high96.3Very high13 Ų1355.8 Ų55.87%0.06827%0.274CS..SBendtrans-90.3138.1-179.1-60.5173.8000109.6L4 N7 M8 M44 I45 W50 L53 L88L4-L48 HydrophobicContact CD1-CD2 3.77Å; N7-L48 HydrophobicContact CB-CD2 4.24Å; N7-L48 VanDerWaalsContact OD1-CA 3.25Å; N7-L48 WeakPolarHBondContact OD1-CA 3.44Å; N7-L48 WeakPolarHBondContact OD1-CD2 3.47Å; M8-L48 HydrophobicContact CE-CD2 4.03Å; M44-L48 WeakPolarHBondContact O-CG 3.4Å; M44-L48 PolarHBondContact O-N 3.12Å; I45-L48 PolarHBondContact O-N 3.12Å; I45-L48 VanDerWaalsContact O-N 3.1Å; L48-W50 PolarHBondContact O-N 2.96Å; L48-W50 VanDerWaalsContact O-N 3.16Å; L48-L53 HydrophobicContact CD1-CD2 4.18Å; L48-L88 HydrophobicContact CD1-CD1 3.85Å; L48-L88 HydrophobicContact CD1-CD2 3.97Å; L48-L88 HydrophobicContact CD2-CD1 3.92Å
49E96.9Very high96.2Very high110 Ų11056.8 Ų56.851%0.51427%0.274SS..  trans-76.599.4159.6-73.4-62.9145.500107.8N7 Y20 S51 A52 L53N7-E49 PolarHBondContact ND2-O 3.1Å; N7-E49 PolarHBondContact OD1-N 3.46Å; Y20-E49 HydrophobicContact CE1-CB 3.79Å; Y20-E49 HydrophobicContact CE1-CG 3.76Å; Y20-E49 VanDerWaalsContact OH-CB 3.27Å; Y20-E49 WeakPolarHBondContact OH-CB 3.44Å; E49-S51 VanDerWaalsContact C-N 3.35Å; E49-S51 PolarHBondContact O-N 2.88Å; E49-A52 HydrophobicContact CB-CB 3.96Å; E49-A52 PolarHBondContact O-N 3.09Å; E49-L53 PolarHBondContact O-N 3.28Å
50W96.5Very high96.2Very high27 Ų2750.5 Ų50.510%0.10225%0.248CC..Hα-helixtrans-60.2-43-171.3-171.6-100.2000112.7L48 A52 L53 V54 L66 P67 L70 F80 V84L48-W50 PolarHBondContact O-N 2.96Å; L48-W50 VanDerWaalsContact O-N 3.16Å; W50-A52 VanDerWaalsContact C-N 3.31Å; W50-A52 PolarHBondContact O-N 2.84Å; W50-L53 HydrophobicContact CE3-CD2 4.33Å; W50-L53 HydrophobicContact CZ3-CD2 4.16Å; W50-L53 PolarHBondContact O-N 3.39Å; W50-V54 WeakPolarHBondContact O-CG2 3.47Å; W50-V54 PolarHBondContact O-N 2.91Å; W50-L66 HydrophobicContact CH2-CD2 4.04Å; W50-L66 HydrophobicContact CZ2-CD2 4.34Å; W50-P67 HydrophobicContact CZ2-CG 4.02Å; W50-P67 PolarHBondContact NE1-O 3.07Å; W50-L70 HydrophobicContact CD2-CB 4.25Å; W50-L70 HydrophobicContact CD2-CD1 4.44Å; W50-L70 HydrophobicContact CE3-CD1 4.16Å; W50-L70 HydrophobicContact CG-CB 4.36Å; W50-L70 HydrophobicContact CH2-CD1 4.2Å; W50-L70 HydrophobicContact CZ2-CD1 4.47Å; W50-L70 HydrophobicContact CZ3-CD1 4.04Å; W50-F80 AromaticContact CH2-CE2 3.91Å; W50-F80 HydrophobicContact CH2-CE2 3.91Å; W50-F80 AromaticContact CH2-CZ 3.45Å; W50-F80 HydrophobicContact CH2-CZ 3.45Å; W50-F80 VanDerWaalsContact CH2-CZ 3.45Å; W50-F80 HydrophobicContact CZ2-CE2 4.13Å; W50-F80 AromaticContact CZ2-CZ 3.97Å; W50-F80 HydrophobicContact CZ2-CZ 3.97Å; W50-F80 HydrophobicContact CZ3-CZ 4.25Å; W50-V84 HydrophobicContact CH2-CG2 3.68Å; W50-V84 HydrophobicContact CZ3-CG1 4.49Å; W50-V84 HydrophobicContact CZ3-CG2 4.13Å
51S95.8Very high96Very high83 Ų8349.4 Ų49.458%0.5826%0.258SS*.Hα-helixtrans-61.2-40.3178.856.30000112E49 V54 Q55E49-S51 VanDerWaalsContact C-N 3.35Å; E49-S51 PolarHBondContact O-N 2.88Å; S51-V54 PolarHBondContact O-N 3.17Å; S51-Q55 WeakPolarHBondContact O-CB 3.01Å; S51-Q55 PolarHBondContact O-N 3.1Å
52A96.7Very high95.8Very high1 Ų150.8 Ų50.81%0.00827%0.265CS..Hα-helixtrans-67.4-38.6176.200000112.2Y20 P21 E49 W50 Q55 A56Y20-A52 HydrophobicContact CE1-CB 3.62Å; Y20-A52 WeakPolarHBondContact OH-CB 3.42Å; P21-A52 HydrophobicContact CB-CB 3.66Å; P21-A52 HydrophobicContact CG-CB 4.1Å; E49-A52 HydrophobicContact CB-CB 3.96Å; E49-A52 PolarHBondContact O-N 3.09Å; W50-A52 VanDerWaalsContact C-N 3.31Å; W50-A52 PolarHBondContact O-N 2.84Å; A52-Q55 PolarHBondContact O-N 3.25Å; A52-A56 VanDerWaalsContact O-CB 3.31Å; A52-A56 WeakPolarHBondContact O-CB 3.47Å; A52-A56 PolarHBondContact O-N 2.9Å
53L97.3Very high95.6Very high0 Ų054.2 Ų54.20%028%0.275CS..Hα-helixtrans-64.7-46174.5-179.268.8000111.5L3 N7 L48 E49 W50 Q55 A56 A57 L66 V87 L88L3-L53 HydrophobicContact CB-CD1 3.99Å; L3-L53 HydrophobicContact CD1-CD1 4.41Å; N7-L53 PolarHBondContact ND2-N 2.89Å; L48-L53 HydrophobicContact CD1-CD2 4.18Å; E49-L53 PolarHBondContact O-N 3.28Å; W50-L53 HydrophobicContact CE3-CD2 4.33Å; W50-L53 HydrophobicContact CZ3-CD2 4.16Å; W50-L53 PolarHBondContact O-N 3.39Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; L53-Q55 PolarHBondContact O-N 3.27Å; L53-A56 PolarHBondContact O-N 3.35Å; L53-A57 WeakPolarHBondContact O-CB 3.37Å; L53-A57 PolarHBondContact O-N 3.47Å; L53-L66 HydrophobicContact CD2-CD1 3.89Å; L53-L66 HydrophobicContact CG-CD1 3.82Å; L53-V87 HydrophobicContact CD1-CG1 4.22Å; L53-L88 HydrophobicContact CD1-CD1 4.05Å; L53-L88 HydrophobicContact CD2-CD1 4.48Å
54V96.8Very high95.2Very high14 Ų1453 Ų539%0.08528%0.278CS..Hα-helixtrans-61.9-42.2178.1172.60000110.6W50 S51 A57 D58 L66 P67W50-V54 WeakPolarHBondContact O-CG2 3.47Å; W50-V54 PolarHBondContact O-N 2.91Å; S51-V54 PolarHBondContact O-N 3.17Å; V54-A57 PolarHBondContact O-N 3.36Å; V54-D58 WeakPolarHBondContact O-CB 3.39Å; V54-D58 PolarHBondContact O-N 3.48Å; V54-L66 HydrophobicContact CG2-CB 4.2Å; V54-L66 HydrophobicContact CG2-CD1 4.22Å; V54-P67 WeakPolarHBondContact CG2-O 3.31Å
55Q96.2Very high94.8Very high78 Ų7853.1 Ų53.136%0.36428%0.279SS..Hα-helixtrans-63-44.7175.1-176.9-178.650.800111.9S51 A52 L53 A57 D58 Q59S51-Q55 WeakPolarHBondContact O-CB 3.01Å; S51-Q55 PolarHBondContact O-N 3.1Å; A52-Q55 PolarHBondContact O-N 3.25Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; L53-Q55 PolarHBondContact O-N 3.27Å; Q55-A57 VanDerWaalsContact C-N 3.34Å; Q55-A57 PolarHBondContact O-N 2.83Å; Q55-D58 WeakPolarHBondContact O-CB 3.26Å; Q55-D58 PolarHBondContact O-N 3.25Å; Q55-Q59 WeakPolarHBondContact O-CG 3.5Å; Q55-Q59 PolarHBondContact O-N 3.22Å
56A96.9Very high94.6Very high0 Ų053.2 Ų53.20%028%0.279CS..Hα-helixtrans-62.5-41.7177.100000111.8L3 I24 A52 L53 D58 Q59 L60L3-A56 HydrophobicContact CD1-CB 4.35Å; L3-A56 HydrophobicContact CD2-CB 3.91Å; I24-A56 HydrophobicContact CD1-CB 3.68Å; A52-A56 VanDerWaalsContact O-CB 3.31Å; A52-A56 WeakPolarHBondContact O-CB 3.47Å; A52-A56 PolarHBondContact O-N 2.9Å; L53-A56 PolarHBondContact O-N 3.35Å; A56-D58 VanDerWaalsContact C-N 3.31Å; A56-D58 PolarHBondContact O-N 2.82Å; A56-Q59 PolarHBondContact O-N 3.15Å; A56-L60 WeakPolarHBondContact O-CG 3.38Å; A56-L60 PolarHBondContact O-N 3.36Å
57A96.4Very high94.5Very high0 Ų050.9 Ų50.90%026%0.264CS..Hα-helixtrans-61.9-40.217500000111.6L53 V54 Q55 L60 G61 H62 L66 V87L53-A57 WeakPolarHBondContact O-CB 3.37Å; L53-A57 PolarHBondContact O-N 3.47Å; V54-A57 PolarHBondContact O-N 3.36Å; Q55-A57 VanDerWaalsContact C-N 3.34Å; Q55-A57 PolarHBondContact O-N 2.83Å; A57-L60 CarbonylContact O-C 3.58Å; A57-L60 PolarHBondContact O-N 2.99Å; A57-G61 PolarHBondContact O-N 3.24Å; A57-G61 VanDerWaalsContact O-N 3.13Å; A57-H62 HydrophobicContact CB-CB 4.48Å; A57-H62 CarbonylContact O-C 3.45Å; A57-H62 WeakPolarHBondContact O-CA 3.47Å; A57-H62 PolarHBondContact O-N 3.41Å; A57-L66 HydrophobicContact CB-CD1 4.02Å; A57-V87 HydrophobicContact CB-CG1 3.72Å
58D95.9Very high94.3Very high99 Ų9946.2 Ų46.253%0.52926%0.256SS..Hα-helixtrans-62.6-45.6175.9-161.535.7000112.5V54 Q55 A56 L60 G61 R63V54-D58 WeakPolarHBondContact O-CB 3.39Å; V54-D58 PolarHBondContact O-N 3.48Å; Q55-D58 WeakPolarHBondContact O-CB 3.26Å; Q55-D58 PolarHBondContact O-N 3.25Å; A56-D58 VanDerWaalsContact C-N 3.31Å; A56-D58 PolarHBondContact O-N 2.82Å; D58-L60 PolarHBondContact O-N 3.46Å; D58-L60 VanDerWaalsContact O-N 3.15Å; D58-G61 PolarHBondContact O-N 2.86Å; D58-R63 HydrophobicContact CB-CB 4.24Å; D58-R63 HydrophobicContact CB-CG 4.4Å; D58-R63 WeakPolarHBondContact OD1-CB 3.43Å
59Q94.5Very high94.1Very high71 Ų7153.4 Ų53.433%0.33229%0.289SS..Hα-helixtrans-60.6-24.9176.5-72.4172.3-16.500113.3I24 Q55 A56I24-Q59 HydrophobicContact CB-CB 4.44Å; Q55-Q59 WeakPolarHBondContact O-CG 3.5Å; Q55-Q59 PolarHBondContact O-N 3.22Å; A56-Q59 PolarHBondContact O-N 3.15Å
60L95Very high93.9Very high21 Ų2151.4 Ų51.411%0.1128%0.282CS..THydrogen-bonded Turntrans-100.33178.1-59.6-172.2000113.7L3 I24 A26 V29 A56 A57 D58 H62 V91 V93L3-L60 HydrophobicContact CD1-CD1 4.2Å; L3-L60 HydrophobicContact CD2-CD1 3.7Å; L3-L60 HydrophobicContact CG-CD1 4.2Å; I24-L60 HydrophobicContact CG2-CD2 3.9Å; A26-L60 HydrophobicContact CB-CD2 3.47Å; A26-L60 VanDerWaalsContact CB-CD2 3.47Å; V29-L60 HydrophobicContact CG2-CD2 3.93Å; A56-L60 WeakPolarHBondContact O-CG 3.38Å; A56-L60 PolarHBondContact O-N 3.36Å; A57-L60 CarbonylContact O-C 3.58Å; A57-L60 PolarHBondContact O-N 2.99Å; D58-L60 PolarHBondContact O-N 3.46Å; D58-L60 VanDerWaalsContact O-N 3.15Å; L60-H62 PolarHBondContact O-CD2 2.97Å; L60-H62 VanDerWaalsContact O-CD2 3.28Å; L60-V91 HydrophobicContact CD1-CG1 3.68Å; L60-V93 HydrophobicContact CD1-CG2 3.71Å; L60-V93 HydrophobicContact CD2-CG2 4.01Å
61G93.6Very high93.6Very high54 Ų5452.3 Ų52.356%0.55729%0.29SS*.THydrogen-bonded Turntrans76.618.3179.900000115A57 D58A57-G61 PolarHBondContact O-N 3.24Å; A57-G61 VanDerWaalsContact O-N 3.13Å; D58-G61 PolarHBondContact O-N 2.86Å
62H92.8Very high93.4Very high29 Ų2953.7 Ų53.713%0.13430%0.297CS..  trans-109.425.4179.4-66.3-71.7000112.7A57 L60 E64 D65 V87A57-H62 HydrophobicContact CB-CB 4.48Å; A57-H62 CarbonylContact O-C 3.45Å; A57-H62 WeakPolarHBondContact O-CA 3.47Å; A57-H62 PolarHBondContact O-N 3.41Å; L60-H62 PolarHBondContact O-CD2 2.97Å; L60-H62 VanDerWaalsContact O-CD2 3.28Å; H62-E64 VanDerWaalsContact C-N 3.27Å; H62-E64 PolarHBondContact O-N 3.49Å; H62-D65 PolarHBondContact O-N 2.96Å; H62-V87 HydrophobicContact CB-CG2 4.44Å
63R90.4Very high93.2Very high90 Ų9058.7 Ų58.734%0.3432%0.324SS..G310 helixtrans-62.3-31.8-176.9-178.456.9-173.879.2-6.9113.8D58 D65 L66D58-R63 HydrophobicContact CB-CB 4.24Å; D58-R63 HydrophobicContact CB-CG 4.4Å; D58-R63 WeakPolarHBondContact OD1-CB 3.43Å; R63-D65 PolarHBondContact O-N 3.04Å; R63-L66 PolarHBondContact NH1-O 3.18Å; R63-L66 PolarHBondContact O-N 3.01Å
64E89.6Confident93Very high160 Ų16060.3 Ų60.375%0.74833%0.33SS*.G310 helixtrans-66.7-21.3-176.265.5-164.9128.100113.7H62H62-E64 VanDerWaalsContact C-N 3.27Å; H62-E64 PolarHBondContact O-N 3.49Å
65D86.1Confident92.8Very high28 Ų2866 Ų6615%0.1536%0.356CS..G310 helixtrans-77.3-21.9179.6-73.6-35.3000112.2H62 R63 K83 R86 V87H62-D65 PolarHBondContact O-N 2.96Å; R63-D65 PolarHBondContact O-N 3.04Å; D65-K83 HydrophobicContact CB-CB 4.41Å; D65-K83 VanDerWaalsContact O-CB 3.22Å; D65-K83 WeakPolarHBondContact O-CB 3.31Å; D65-K83 VanDerWaalsContact O-CD 3.3Å; D65-K83 WeakPolarHBondContact O-CD 3.42Å; D65-R86 IonicContact OD2-NE 3.35Å; D65-R86 PolarHBondContact OD2-NE 2.95Å; D65-V87 HydrophobicContact CB-CG2 3.55Å
66L92.8Very high92.7Very high6 Ų670.2 Ų70.23%0.03137%0.373CS..SBendtrans-116.2138.6-175.5-61.8-178.4000113.1W50 L53 V54 A57 R63 V84 V87W50-L66 HydrophobicContact CH2-CD2 4.04Å; W50-L66 HydrophobicContact CZ2-CD2 4.34Å; L53-L66 HydrophobicContact CD2-CD1 3.89Å; L53-L66 HydrophobicContact CG-CD1 3.82Å; V54-L66 HydrophobicContact CG2-CB 4.2Å; V54-L66 HydrophobicContact CG2-CD1 4.22Å; A57-L66 HydrophobicContact CB-CD1 4.02Å; R63-L66 PolarHBondContact NH1-O 3.18Å; R63-L66 PolarHBondContact O-N 3.01Å; L66-V84 HydrophobicContact CD2-CG2 3.88Å; L66-V87 HydrophobicContact CD1-CB 4.31Å; L66-V87 HydrophobicContact CD1-CG1 3.83Å; L66-V87 HydrophobicContact CD1-CG2 4.43Å; L66-V87 HydrophobicContact CD2-CB 4.48Å; L66-V87 HydrophobicContact CD2-CG2 4.35Å; L66-V87 HydrophobicContact CG-CB 4.42Å; L66-V87 HydrophobicContact CG-CG1 4.4Å; L66-V87 HydrophobicContact CG-CG2 4.11Å
67P93.2Very high92.6Very high43 Ų4373.6 Ų73.628%0.27939%0.391SS..  trans-69.6155.316430.5-34.1000111W50 V54 E69 V71 F80W50-P67 HydrophobicContact CZ2-CG 4.02Å; W50-P67 PolarHBondContact NE1-O 3.07Å; V54-P67 WeakPolarHBondContact CG2-O 3.31Å; P67-E69 VanDerWaalsContact C-N 3.25Å; P67-E69 WeakPolarHBondContact CB-O 3.45Å; P67-E69 VanDerWaalsContact CG-O 3.31Å; P67-E69 WeakPolarHBondContact CG-O 3.19Å; P67-E69 PolarHBondContact O-N 2.99Å; P67-V71 HydrophobicContact CB-CG1 4.46Å; P67-V71 HydrophobicContact CG-CG1 4.11Å; P67-F80 HydrophobicContact CG-CD2 4.25Å; P67-F80 HydrophobicContact CG-CE2 3.56Å
68G90.8Very high92.5Very high43 Ų4378.6 Ų78.644%0.44341%0.414SS..SBendtrans-64-31.7178.100000113.3
69E92.3Very high92.4Very high164 Ų16479.2 Ų79.277%0.76642%0.418SS*.SBendtrans-123.2153.2176.9-64.3-176.3166.300110.2P67 V71P67-E69 VanDerWaalsContact C-N 3.25Å; P67-E69 WeakPolarHBondContact CB-O 3.45Å; P67-E69 VanDerWaalsContact CG-O 3.31Å; P67-E69 WeakPolarHBondContact CG-O 3.19Å; P67-E69 PolarHBondContact O-N 2.99Å; E69-V71 PolarHBondContact O-N 3.31Å
70L92.8Very high92.5Very high69 Ų6976.5 Ų76.536%0.36141%0.405SS..PPolyproline II helixtrans-67.6124.9177-179.160.8000109.8I45 W50 Y74 F80I45-L70 HydrophobicContact CG2-CD1 3.7Å; I45-L70 HydrophobicContact CG2-CD2 3.62Å; I45-L70 HydrophobicContact CG2-CG 4.33Å; W50-L70 HydrophobicContact CD2-CB 4.25Å; W50-L70 HydrophobicContact CD2-CD1 4.44Å; W50-L70 HydrophobicContact CE3-CD1 4.16Å; W50-L70 HydrophobicContact CG-CB 4.36Å; W50-L70 HydrophobicContact CH2-CD1 4.2Å; W50-L70 HydrophobicContact CZ2-CD1 4.47Å; W50-L70 HydrophobicContact CZ3-CD1 4.04Å; L70-Y74 HydrophobicContact CD1-CD1 3.79Å; L70-Y74 HydrophobicContact CD1-CE1 4.26Å; L70-Y74 HydrophobicContact CD1-CG 4.23Å; L70-Y74 HydrophobicContact CD2-CD1 4.05Å; L70-Y74 HydrophobicContact CD2-CE1 3.79Å; L70-Y74 HydrophobicContact CG-CD1 3.95Å; L70-Y74 HydrophobicContact CG-CE1 4.22Å; L70-F80 HydrophobicContact CD1-CE1 4.07Å; L70-F80 HydrophobicContact CD1-CZ 3.74Å
71V90.4Very high92.5Very high45 Ų4575.7 Ų75.727%0.27340%0.401SS..PPolyproline II helixtrans-71.7142.2179.4-61.70000111.1P67 E69 Y74 F80P67-V71 HydrophobicContact CB-CG1 4.46Å; P67-V71 HydrophobicContact CG-CG1 4.11Å; E69-V71 PolarHBondContact O-N 3.31Å; V71-Y74 WeakPolarHBondContact O-CD1 3.39Å; V71-F80 HydrophobicContact CG2-CD1 4.07Å; V71-F80 HydrophobicContact CG2-CD2 3.98Å; V71-F80 HydrophobicContact CG2-CE1 4.07Å; V71-F80 HydrophobicContact CG2-CE2 3.99Å; V71-F80 HydrophobicContact CG2-CG 4Å; V71-F80 HydrophobicContact CG2-CZ 4.01Å
72P90.7Very high92.7Very high112 Ų11277.3 Ų77.373%0.72739%0.392SS*.THydrogen-bonded Turntrans-65.1155.2172.529-34.6000110.8Y74P72-Y74 PolarHBondContact O-N 3.07Å; P72-Y74 VanDerWaalsContact O-N 3.07Å
73D92.3Very high92.8Very high106 Ų10680.6 Ų80.657%0.56741%0.406SS*.THydrogen-bonded Turntrans52.928.5179.4-74.2-85.9000114.5E75 K76D73-E75 PolarHBondContact O-N 2.64Å; D73-K76 PolarHBondContact O-N 2.79Å; D73-K76 IonicContact OD1-NZ 3.97Å; D73-K76 PolarHBondContact OD1-NZ 3.34Å
74Y93Very high93.1Very high35 Ų3576.3 Ų76.314%0.13739%0.39CS..G310 helixtrans-54.8-26.2-177.360.5-100.2000114I45 P46 L70 V71 P72 K76 N77 F80 L81I45-Y74 HydrophobicContact CB-CE2 3.94Å; I45-Y74 HydrophobicContact CD1-CD2 3.54Å; I45-Y74 HydrophobicContact CD1-CE2 3.68Å; I45-Y74 HydrophobicContact CD1-CG 4.27Å; I45-Y74 HydrophobicContact CG1-CE2 4.42Å; I45-Y74 HydrophobicContact CG2-CD1 4.39Å; I45-Y74 HydrophobicContact CG2-CD2 4.36Å; I45-Y74 HydrophobicContact CG2-CE1 3.85Å; I45-Y74 HydrophobicContact CG2-CE2 3.82Å; P46-Y74 WeakPolarHBondContact CG-OH 3.34Å; L70-Y74 HydrophobicContact CD1-CD1 3.79Å; L70-Y74 HydrophobicContact CD1-CE1 4.26Å; L70-Y74 HydrophobicContact CD1-CG 4.23Å; L70-Y74 HydrophobicContact CD2-CD1 4.05Å; L70-Y74 HydrophobicContact CD2-CE1 3.79Å; L70-Y74 HydrophobicContact CG-CD1 3.95Å; L70-Y74 HydrophobicContact CG-CE1 4.22Å; V71-Y74 WeakPolarHBondContact O-CD1 3.39Å; P72-Y74 PolarHBondContact O-N 3.07Å; P72-Y74 VanDerWaalsContact O-N 3.07Å; Y74-K76 PolarHBondContact O-N 2.94Å; Y74-N77 PolarHBondContact O-N 2.85Å; Y74-F80 VanDerWaalsContact CB-CE1 3.45Å; Y74-F80 HydrophobicContact CG-CE1 4.17Å; Y74-L81 HydrophobicContact CD2-CD2 4.24Å
75E93.4Very high93.5Very high132 Ų13269 Ų6962%0.61736%0.356SS*.G310 helixtrans-61.2-24-180-59.1-179.5106.600113.6C42 D73C42-E75 HydrophobicContact CB-CG 4.35Å; D73-E75 PolarHBondContact O-N 2.64Å
76K92.9Very high94Very high168 Ų16872 Ų7273%0.7337%0.365SS*.G310 helixtrans-94.5-8178.6-62.7171-171.2148.50112.7D73 Y74D73-K76 PolarHBondContact O-N 2.79Å; D73-K76 IonicContact OD1-NZ 3.97Å; D73-K76 PolarHBondContact OD1-NZ 3.34Å; Y74-K76 PolarHBondContact O-N 2.94Å
77N94.9Very high94.2Very high71 Ų7171.8 Ų71.838%0.3836%0.364SS..  trans-101.688.1-175.1-171.5-21.8000110.2Y74 D79 F80 L81Y74-N77 PolarHBondContact O-N 2.85Å; N77-D79 VanDerWaalsContact C-N 3.3Å; N77-D79 PolarHBondContact O-N 3.4Å; N77-D79 PolarHBondContact OD1-N 3.25Å; N77-F80 HydrophobicContact CB-CB 3.9Å; N77-F80 VanDerWaalsContact CG-CB 3.42Å; N77-F80 WeakPolarHBondContact O-CB 3.47Å; N77-F80 PolarHBondContact O-N 3.02Å; N77-F80 WeakPolarHBondContact OD1-CB 3.33Å; N77-F80 PolarHBondContact OD1-N 3.04Å; N77-L81 WeakPolarHBondContact O-CG 3.25Å; N77-L81 PolarHBondContact O-N 3.16Å
78E95.2Very high94.3Very high105 Ų10569.7 Ų69.749%0.49135%0.35SS..Hα-helixtrans-60.6-38.4-177.5-167.2-178.1131.600112.7F36 F80 L81 K82F36-E78 HydrophobicContact CE1-CG 3.82Å; F36-E78 HydrophobicContact CZ-CG 4.17Å; E78-F80 VanDerWaalsContact C-N 3.34Å; E78-F80 PolarHBondContact O-N 3.32Å; E78-L81 PolarHBondContact O-N 2.99Å; E78-K82 WeakPolarHBondContact O-CG 3.39Å; E78-K82 PolarHBondContact O-N 3.27Å; E78-K82 WeakPolarHBondContact OE1-CE 3.07Å; E78-K82 IonicContact OE1-NZ 2.71Å; E78-K82 PolarHBondContact OE1-NZ 2.97Å
79D94.4Very high94.6Very high112 Ų11268.6 Ų68.660%0.59933%0.334SS*.Hα-helixtrans-64.3-40.4178.8-66.5-41.1000111.6N77 K82 K83N77-D79 VanDerWaalsContact C-N 3.3Å; N77-D79 PolarHBondContact O-N 3.4Å; N77-D79 PolarHBondContact OD1-N 3.25Å; D79-K82 PolarHBondContact O-N 3.45Å; D79-K83 WeakPolarHBondContact O-CG 3.38Å; D79-K83 PolarHBondContact O-N 3.26Å; D79-K83 VanDerWaalsContact O-N 3.16Å
80F95.2Very high94.9Very high14 Ų1461.9 Ų61.96%0.06130%0.303CS..Hα-helixtrans-63-46.3172.1172.1-99.7000111.5I45 W50 P67 L70 V71 Y74 N77 E78 K82 K83 V84I45-F80 HydrophobicContact CD1-CE1 4.02Å; W50-F80 AromaticContact CH2-CE2 3.91Å; W50-F80 HydrophobicContact CH2-CE2 3.91Å; W50-F80 AromaticContact CH2-CZ 3.45Å; W50-F80 HydrophobicContact CH2-CZ 3.45Å; W50-F80 VanDerWaalsContact CH2-CZ 3.45Å; W50-F80 HydrophobicContact CZ2-CE2 4.13Å; W50-F80 AromaticContact CZ2-CZ 3.97Å; W50-F80 HydrophobicContact CZ2-CZ 3.97Å; W50-F80 HydrophobicContact CZ3-CZ 4.25Å; P67-F80 HydrophobicContact CG-CD2 4.25Å; P67-F80 HydrophobicContact CG-CE2 3.56Å; L70-F80 HydrophobicContact CD1-CE1 4.07Å; L70-F80 HydrophobicContact CD1-CZ 3.74Å; V71-F80 HydrophobicContact CG2-CD1 4.07Å; V71-F80 HydrophobicContact CG2-CD2 3.98Å; V71-F80 HydrophobicContact CG2-CE1 4.07Å; V71-F80 HydrophobicContact CG2-CE2 3.99Å; V71-F80 HydrophobicContact CG2-CG 4Å; V71-F80 HydrophobicContact CG2-CZ 4.01Å; Y74-F80 VanDerWaalsContact CB-CE1 3.45Å; Y74-F80 HydrophobicContact CG-CE1 4.17Å; N77-F80 HydrophobicContact CB-CB 3.9Å; N77-F80 VanDerWaalsContact CG-CB 3.42Å; N77-F80 WeakPolarHBondContact O-CB 3.47Å; N77-F80 PolarHBondContact O-N 3.02Å; N77-F80 WeakPolarHBondContact OD1-CB 3.33Å; N77-F80 PolarHBondContact OD1-N 3.04Å; E78-F80 VanDerWaalsContact C-N 3.34Å; E78-F80 PolarHBondContact O-N 3.32Å; F80-K82 VanDerWaalsContact C-N 3.27Å; F80-K82 PolarHBondContact O-N 2.9Å; F80-K83 PolarHBondContact O-N 2.91Å; F80-K83 VanDerWaalsContact O-N 3.14Å; F80-V84 HydrophobicContact CD1-CG2 4.23Å; F80-V84 HydrophobicContact CD2-CG2 4.39Å; F80-V84 HydrophobicContact CE1-CG2 3.75Å; F80-V84 HydrophobicContact CE2-CG2 3.9Å; F80-V84 HydrophobicContact CZ-CG2 3.58Å; F80-V84 WeakPolarHBondContact O-CG2 3.42Å; F80-V84 PolarHBondContact O-N 2.93Å
81L96.7Very high95Very high4 Ų458.6 Ų58.62%0.02129%0.286CS..Hα-helixtrans-61.6-34.8178.6-66.2174.2000112.4F36 P38 V41 C42 I45 Y74 N77 E78 V84 H85F36-L81 HydrophobicContact CE2-CB 4.04Å; F36-L81 HydrophobicContact CZ-CB 3.82Å; P38-L81 HydrophobicContact CB-CD1 4.02Å; V41-L81 HydrophobicContact CB-CD2 4.27Å; V41-L81 HydrophobicContact CG1-CB 4.42Å; V41-L81 HydrophobicContact CG1-CD2 3.77Å; C42-L81 WeakPolarHBondContact SG-CD1 3.49Å; I45-L81 HydrophobicContact CD1-CD2 3.76Å; Y74-L81 HydrophobicContact CD2-CD2 4.24Å; N77-L81 WeakPolarHBondContact O-CG 3.25Å; N77-L81 PolarHBondContact O-N 3.16Å; E78-L81 PolarHBondContact O-N 2.99Å; L81-V84 PolarHBondContact O-N 3.29Å; L81-H85 VanDerWaalsContact O-CB 3.26Å; L81-H85 WeakPolarHBondContact O-CB 3.31Å; L81-H85 PolarHBondContact O-N 3.47Å
82K96.6Very high95.3Very high87 Ų8758.1 Ų58.138%0.37828%0.28SS..Hα-helixtrans-65.1-42.2173.8-77.1174.4-178.1159.80112.2F36 E78 D79 F80 H85 R86F36-K82 HydrophobicContact CD1-CG 4.06Å; F36-K82 HydrophobicContact CD2-CG 4.11Å; F36-K82 HydrophobicContact CE1-CG 3.84Å; F36-K82 HydrophobicContact CE2-CG 3.9Å; F36-K82 HydrophobicContact CG-CG 4.18Å; F36-K82 HydrophobicContact CZ-CG 3.75Å; E78-K82 WeakPolarHBondContact O-CG 3.39Å; E78-K82 PolarHBondContact O-N 3.27Å; E78-K82 WeakPolarHBondContact OE1-CE 3.07Å; E78-K82 IonicContact OE1-NZ 2.71Å; E78-K82 PolarHBondContact OE1-NZ 2.97Å; D79-K82 PolarHBondContact O-N 3.45Å; F80-K82 VanDerWaalsContact C-N 3.27Å; F80-K82 PolarHBondContact O-N 2.9Å; K82-H85 WeakPolarHBondContact O-CB 3.47Å; K82-H85 PolarHBondContact O-N 3.02Å; K82-R86 WeakPolarHBondContact O-CB 3.36Å; K82-R86 PolarHBondContact O-N 3.49Å
83K95.9Very high95.7Very high99 Ų9952.8 Ų52.843%0.4325%0.246SC..Hα-helixtrans-64.4-43.1175.5-67.8-179177.8-165.10112D65 D79 F80 R86 V87D65-K83 HydrophobicContact CB-CB 4.41Å; D65-K83 VanDerWaalsContact O-CB 3.22Å; D65-K83 WeakPolarHBondContact O-CB 3.31Å; D65-K83 VanDerWaalsContact O-CD 3.3Å; D65-K83 WeakPolarHBondContact O-CD 3.42Å; D79-K83 WeakPolarHBondContact O-CG 3.38Å; D79-K83 PolarHBondContact O-N 3.26Å; D79-K83 VanDerWaalsContact O-N 3.16Å; F80-K83 PolarHBondContact O-N 2.91Å; F80-K83 VanDerWaalsContact O-N 3.14Å; K83-R86 PolarHBondContact O-N 3.4Å; K83-V87 PolarHBondContact O-N 3.46Å
84V96.6Very high96Very high0 Ų048.8 Ų48.80%022%0.224CC..Hα-helixtrans-62-45.9173.9178.40000110.9V41 I45 W50 L66 F80 L81 R86 V87 L88V41-V84 HydrophobicContact CG1-CB 3.93Å; V41-V84 HydrophobicContact CG1-CG1 3.69Å; I45-V84 HydrophobicContact CD1-CG1 4.38Å; I45-V84 HydrophobicContact CG1-CG1 4.22Å; W50-V84 HydrophobicContact CH2-CG2 3.68Å; W50-V84 HydrophobicContact CZ3-CG1 4.49Å; W50-V84 HydrophobicContact CZ3-CG2 4.13Å; L66-V84 HydrophobicContact CD2-CG2 3.88Å; F80-V84 HydrophobicContact CD1-CG2 4.23Å; F80-V84 HydrophobicContact CD2-CG2 4.39Å; F80-V84 HydrophobicContact CE1-CG2 3.75Å; F80-V84 HydrophobicContact CE2-CG2 3.9Å; F80-V84 HydrophobicContact CZ-CG2 3.58Å; F80-V84 WeakPolarHBondContact O-CG2 3.42Å; F80-V84 PolarHBondContact O-N 2.93Å; L81-V84 PolarHBondContact O-N 3.29Å; V84-R86 PolarHBondContact O-N 3.07Å; V84-V87 PolarHBondContact O-N 3.26Å; V84-L88 HydrophobicContact CG1-CD2 4.47Å; V84-L88 WeakPolarHBondContact O-CB 3.48Å; V84-L88 PolarHBondContact O-N 3.36Å
85H97.3Very high96.2Very high5 Ų549.9 Ų49.92%0.02323%0.23CC..Hα-helixtrans-54.4-49.8176.4172.291.4000112.1V34 D35 F36 V41 L81 K82 V87 L88 L89 E90V34-H85 PolarHBondContact O-CE1 3.06Å; V34-H85 PolarHBondContact O-NE2 3.2Å; D35-H85 PolarHBondContact O-CE1 3.16Å; F36-H85 HydrophobicContact CD2-CB 3.76Å; F36-H85 AromaticContact CD2-CG 3.72Å; F36-H85 AromaticContact CD2-ND1 3.89Å; F36-H85 HydrophobicContact CE2-CB 4.02Å; V41-H85 HydrophobicContact CG2-CB 3.89Å; L81-H85 VanDerWaalsContact O-CB 3.26Å; L81-H85 WeakPolarHBondContact O-CB 3.31Å; L81-H85 PolarHBondContact O-N 3.47Å; K82-H85 WeakPolarHBondContact O-CB 3.47Å; K82-H85 PolarHBondContact O-N 3.02Å; H85-V87 PolarHBondContact O-N 3.37Å; H85-L88 PolarHBondContact O-N 3.08Å; H85-L89 WeakPolarHBondContact O-CB 3.3Å; H85-L89 PolarHBondContact O-N 2.8Å; H85-E90 IonicContact CD2-OE1 3.84Å; H85-E90 PolarHBondContact CD2-OE1 3.3Å; H85-E90 IonicContact NE2-OE1 3.77Å; H85-E90 PolarHBondContact NE2-OE1 3.43Å
86R96.5Very high96.4Very high93 Ų9344.3 Ų44.335%0.35121%0.208SC..Iπ-helixtrans-54.1-55.3178175.8179.2177.583.2-3.7111.4D65 K82 K83 V84 L88 E90 V91D65-R86 IonicContact OD2-NE 3.35Å; D65-R86 PolarHBondContact OD2-NE 2.95Å; K82-R86 WeakPolarHBondContact O-CB 3.36Å; K82-R86 PolarHBondContact O-N 3.49Å; K83-R86 PolarHBondContact O-N 3.4Å; V84-R86 PolarHBondContact O-N 3.07Å; R86-L88 PolarHBondContact O-N 2.91Å; R86-E90 WeakPolarHBondContact CG-OE2 3.35Å; R86-E90 IonicContact NH1-OE2 3.22Å; R86-E90 WeakPolarHBondContact O-CA 3.29Å; R86-E90 VanDerWaalsContact O-CB 3.24Å; R86-E90 WeakPolarHBondContact O-CB 3.44Å; R86-E90 PolarHBondContact O-N 3.41Å; R86-V91 PolarHBondContact O-N 2.74Å; R86-V91 VanDerWaalsContact O-N 3.1Å
87V96.6Very high96.6Very high0 Ų037 Ų370%018%0.179CC..Iπ-helixtrans-65.8-43.2-178.2177.20000111.4L3 L53 A57 H62 D65 L66 K83 V84 H85L3-V87 WeakPolarHBondContact CB-O 3.42Å; L3-V87 HydrophobicContact CD1-CG1 3.56Å; L3-V87 WeakPolarHBondContact CD1-O 3.38Å; L53-V87 HydrophobicContact CD1-CG1 4.22Å; A57-V87 HydrophobicContact CB-CG1 3.72Å; H62-V87 HydrophobicContact CB-CG2 4.44Å; D65-V87 HydrophobicContact CB-CG2 3.55Å; L66-V87 HydrophobicContact CD1-CB 4.31Å; L66-V87 HydrophobicContact CD1-CG1 3.83Å; L66-V87 HydrophobicContact CD1-CG2 4.43Å; L66-V87 HydrophobicContact CD2-CB 4.48Å; L66-V87 HydrophobicContact CD2-CG2 4.35Å; L66-V87 HydrophobicContact CG-CB 4.42Å; L66-V87 HydrophobicContact CG-CG1 4.4Å; L66-V87 HydrophobicContact CG-CG2 4.11Å; K83-V87 PolarHBondContact O-N 3.46Å; V84-V87 PolarHBondContact O-N 3.26Å; H85-V87 PolarHBondContact O-N 3.37Å
88L96.7Very high96.8Very high0 Ų033.7 Ų33.70%016%0.161CC..Iπ-helixtrans-72.7-36.9-172.9-171.166.5000112.9L4 M44 L48 L53 V84 H85 R86L4-L88 HydrophobicContact CB-CD1 3.7Å; L4-L88 HydrophobicContact CB-CG 3.9Å; L4-L88 HydrophobicContact CD1-CD1 3.98Å; L4-L88 HydrophobicContact CD1-CG 4.42Å; L4-L88 HydrophobicContact CG-CD1 4.4Å; L4-L88 PolarHBondContact N-O 2.74Å; L4-L88 VanDerWaalsContact N-O 3.09Å; M44-L88 HydrophobicContact CB-CD2 4.37Å; L48-L88 HydrophobicContact CD1-CD1 3.85Å; L48-L88 HydrophobicContact CD1-CD2 3.97Å; L48-L88 HydrophobicContact CD2-CD1 3.92Å; L53-L88 HydrophobicContact CD1-CD1 4.05Å; L53-L88 HydrophobicContact CD2-CD1 4.48Å; V84-L88 HydrophobicContact CG1-CD2 4.47Å; V84-L88 WeakPolarHBondContact O-CB 3.48Å; V84-L88 PolarHBondContact O-N 3.36Å; H85-L88 PolarHBondContact O-N 3.08Å; R86-L88 PolarHBondContact O-N 2.91Å
89L97Very high96.9Very high20 Ų2030.6 Ų30.611%0.10515%0.146CC..Iπ-helixtrans-122-28.3-168.6-63.1178.7000114.9K2 L4 F40 H85K2-L89 HydrophobicContact CD-CD2 4.08Å; K2-L89 WeakPolarHBondContact CD-O 3.02Å; K2-L89 PolarHBondContact NZ-O 2.69Å; L4-L89 HydrophobicContact CB-CD2 4.41Å; L4-L89 HydrophobicContact CD2-CD2 4Å; F40-L89 HydrophobicContact CD1-CD1 3.98Å; F40-L89 HydrophobicContact CE1-CD1 3.75Å; F40-L89 HydrophobicContact CE1-CD2 4.06Å; F40-L89 HydrophobicContact CE1-CG 4.35Å; H85-L89 WeakPolarHBondContact O-CB 3.3Å; H85-L89 PolarHBondContact O-N 2.8Å
90E96.8Very high97Very high23 Ų2325.3 Ų25.311%0.10712%0.118CC..Iπ-helixtrans-94.1-31.2-175.3-55.8-174.915500112.2V31 N32 V34 H85 R86 E92V31-E90 CarbonylContact C-O 3.6Å; V31-E90 WeakPolarHBondContact CA-O 3.39Å; V31-E90 HydrophobicContact CG1-CB 4.19Å; N32-E90 PolarHBondContact N-O 3.01Å; N32-E90 VanDerWaalsContact O-CA 3.23Å; N32-E90 WeakPolarHBondContact O-CA 3.36Å; N32-E90 WeakPolarHBondContact O-CB 3.4Å; N32-E90 WeakPolarHBondContact O-CG 3.44Å; V34-E90 HydrophobicContact CB-CG 4.34Å; V34-E90 HydrophobicContact CG2-CG 4.41Å; V34-E90 PolarHBondContact N-OE1 3.39Å; H85-E90 IonicContact CD2-OE1 3.84Å; H85-E90 PolarHBondContact CD2-OE1 3.3Å; H85-E90 IonicContact NE2-OE1 3.77Å; H85-E90 PolarHBondContact NE2-OE1 3.43Å; R86-E90 WeakPolarHBondContact CG-OE2 3.35Å; R86-E90 IonicContact NH1-OE2 3.22Å; R86-E90 WeakPolarHBondContact O-CA 3.29Å; R86-E90 VanDerWaalsContact O-CB 3.24Å; R86-E90 WeakPolarHBondContact O-CB 3.44Å; R86-E90 PolarHBondContact O-N 3.41Å; E90-E92 PolarHBondContact O-N 3.06Å
91V96.8Very high96.9Very high0 Ų027.6 Ų27.60%013%0.134CC..EExtended strand (participates in β ladder)trans-78.8118.2175.7-177.80000110.3V29 L60 R86V29-V91 HydrophobicContact CG1-CG1 3.92Å; L60-V91 HydrophobicContact CD1-CG1 3.68Å; R86-V91 PolarHBondContact O-N 2.74Å; R86-V91 VanDerWaalsContact O-N 3.1Å
92E96.6Very high96.9Very high35 Ų3531.7 Ų31.716%0.16415%0.153CC..EExtended strand (participates in β ladder)trans-126.7126.6-178.6-68.8-175-174.700112.5M1 K2 V29 K30 N32 E90 I94M1-E92 WeakPolarHBondContact O-CA 3.46Å; K2-E92 WeakPolarHBondContact CE-OE1 3.27Å; K2-E92 HydrophobicContact CG-CG 3.75Å; K2-E92 IonicContact NZ-OE1 3.38Å; K2-E92 PolarHBondContact NZ-OE1 2.79Å; V29-E92 CarbonylContact C-O 3.58Å; V29-E92 WeakPolarHBondContact CA-O 3.19Å; K30-E92 PolarHBondContact N-O 3.42Å; K30-E92 PolarHBondContact O-N 3.13Å; N32-E92 PolarHBondContact ND2-OE2 3.28Å; E90-E92 PolarHBondContact O-N 3.06Å; E92-I94 HydrophobicContact CB-CD1 4.4Å
93V97.9Very high96.7Very high0 Ų030.2 Ų30.20%015%0.154CC..EExtended strand (participates in β ladder)trans-80120.5168.7-175.30000108.8M1 I24 A26 L60 E95 I109 G112M1-V93 HydrophobicContact CE-CB 4.45Å; M1-V93 HydrophobicContact CE-CG2 4.34Å; M1-V93 PolarHBondContact N-O 3.35Å; M1-V93 PolarHBondContact O-N 2.76Å; I24-V93 HydrophobicContact CG2-CG2 4.1Å; A26-V93 HydrophobicContact CB-CG1 3.8Å; A26-V93 HydrophobicContact CB-CG2 4.27Å; L60-V93 HydrophobicContact CD1-CG2 3.71Å; L60-V93 HydrophobicContact CD2-CG2 4.01Å; V93-E95 WeakPolarHBondContact CG1-O 3.44Å; V93-I109 HydrophobicContact CB-CD1 4.2Å; V93-I109 HydrophobicContact CG1-CD1 3.74Å; V93-I109 HydrophobicContact CG1-CG2 4.34Å; V93-G112 WeakPolarHBondContact O-CA 3.4Å
94I98.1Very high96.6Very high22 Ų2227 Ų2711%0.11315%0.149CC..EExtended strand (participates in β ladder)trans-92.3-48.2179.9-54.4-60000110.4E28 K30 E92 S110 R111 G112E28-I94 HydrophobicContact CB-CB 4.14Å; E28-I94 HydrophobicContact CG-CB 3.96Å; E28-I94 HydrophobicContact CG-CG1 4.34Å; E28-I94 HydrophobicContact CG-CG2 4.48Å; E28-I94 PolarHBondContact O-N 3.21Å; K30-I94 HydrophobicContact CB-CD1 4.17Å; K30-I94 HydrophobicContact CB-CG1 3.99Å; K30-I94 HydrophobicContact CD-CD1 4.03Å; K30-I94 HydrophobicContact CD-CG1 3.77Å; K30-I94 HydrophobicContact CG-CD1 4.26Å; K30-I94 HydrophobicContact CG-CG1 3.71Å; E92-I94 HydrophobicContact CB-CD1 4.4Å; I94-S110 CarbonylContact O-C 3.51Å; I94-R111 PolarHBondContact O-N 3.18Å; I94-R111 VanDerWaalsContact O-N 3.14Å; I94-G112 PolarHBondContact O-N 2.91Å
95E98.3Very high96.6Very high57 Ų5730.5 Ų30.527%0.26616%0.162SC..EExtended strand (participates in β ladder)trans-129.9143.3176.9-61.2-63.5146.100109.2T27 E28 V93 I109 S110 R111T27-E95 PolarHBondContact N-O 3.23Å; T27-E95 VanDerWaalsContact OG1-CB 3.28Å; T27-E95 WeakPolarHBondContact OG1-CB 3.47Å; T27-E95 PolarHBondContact OG1-O 3.43Å; T27-E95 VanDerWaalsContact OG1-O 3.12Å; E28-E95 HydrophobicContact CB-CB 3.96Å; E28-E95 HydrophobicContact CB-CG 4.29Å; E28-E95 PolarHBondContact N-O 2.88Å; E28-E95 VanDerWaalsContact N-O 3.11Å; E28-E95 PolarHBondContact O-N 3.47Å; V93-E95 WeakPolarHBondContact CG1-O 3.44Å; E95-I109 WeakPolarHBondContact CA-O 3.3Å; E95-S110 PolarHBondContact OE1-OG 3.03Å; E95-S110 WeakPolarHBondContact OE2-CA 3.25Å; E95-S110 PolarHBondContact OE2-OG 3.35Å; E95-R111 PolarHBondContact OE1-N 2.84Å
96G97.6Very high96.5Very high15 Ų1534 Ų3416%0.15518%0.179CC..EExtended strand (participates in β ladder)trans157.3-158.2179.400000112.7K25 I109K25-G96 CarbonylContact O-C 3.53Å; K25-G96 WeakPolarHBondContact O-CA 3.37Å; G96-I109 PolarHBondContact N-O 3.05Å; G96-I109 VanDerWaalsContact N-O 3.12Å; G96-I109 PolarHBondContact O-N 3.39Å
97C97.4Very high96.6Very high16 Ų1629.7 Ų29.711%0.10816%0.162CC..EExtended strand (participates in β ladder)trans-145.2157.4169.367.50000112.6K25 E106 F107K25-C97 PolarHBondContact N-O 2.94Å; K25-C97 PolarHBondContact O-N 3.32Å; C97-E106 HydrophobicContact CB-CB 4.28Å; C97-F107 CarbonylContact C-O 3.57Å; C97-F107 VanDerWaalsContact CA-O 3.29Å; C97-F107 WeakPolarHBondContact CA-O 3.46Å
98L97.9Very high96.6Very high0 Ų032.9 Ų32.90%018%0.183CC..EExtended strand (participates in β ladder)trans-103.1122.1168.5-59.8178.6000108.3M1 L9 L22 L23 I24 E106 F107 I109 P114 M116M1-L98 HydrophobicContact CE-CD2 4.21Å; M1-L98 HydrophobicContact SD-CD1 4.14Å; L9-L98 HydrophobicContact CD1-CD1 3.68Å; L22-L98 HydrophobicContact CB-CB 4.05Å; L22-L98 HydrophobicContact CD1-CB 4.05Å; L22-L98 HydrophobicContact CD1-CD1 3.86Å; L23-L98 CarbonylContact O-C 3.58Å; L23-L98 WeakPolarHBondContact O-CA 3.42Å; I24-L98 HydrophobicContact CG1-CD2 3.88Å; L98-E106 CarbonylContact O-C 3.59Å; L98-E106 WeakPolarHBondContact O-CA 3.49Å; L98-F107 HydrophobicContact CB-CB 4.22Å; L98-F107 PolarHBondContact N-O 3.47Å; L98-F107 WeakPolarHBondContact O-CD2 3.34Å; L98-F107 PolarHBondContact O-N 3.33Å; L98-I109 HydrophobicContact CD2-CD1 3.88Å; L98-I109 HydrophobicContact CG-CD1 3.88Å; L98-I109 HydrophobicContact CG-CG1 4.13Å; L98-P114 HydrophobicContact CD1-CB 4.07Å; L98-M116 HydrophobicContact CD1-SD 4.14Å
99Q97.4Very high96.7Very high40 Ų4033 Ų3319%0.18718%0.183CC..EExtended strand (participates in β ladder)trans-102.9129.1179.4179.6171.346.900110.9L22 L23 G104 R105 E106L22-Q99 WeakPolarHBondContact CA-O 3.22Å; L23-Q99 HydrophobicContact CB-CB 4.25Å; L23-Q99 PolarHBondContact N-O 3.1Å; L23-Q99 PolarHBondContact O-N 2.9Å; Q99-G104 PolarHBondContact NE2-O 3.22Å; Q99-R105 CarbonylContact C-O 3.51Å; Q99-R105 WeakPolarHBondContact CA-O 3.39Å; Q99-E106 HydrophobicContact CB-CG 4.26Å; Q99-E106 HydrophobicContact CG-CG 4.27Å
100C96.3Very high96.8Very high1 Ų134.8 Ų34.81%0.00720%0.198CC..PPolyproline II helixtrans-63.3128.2170179.70000109.8S11 L22 E102 S103 G104 R105 F107S11-C100 WeakPolarHBondContact CB-SG 3.38Å; S11-C100 PolarHBondContact OG-SG 3.12Å; L22-C100 HydrophobicContact CD2-CB 4.41Å; C100-E102 VanDerWaalsContact C-N 3.28Å; C100-E102 PolarHBondContact O-N 3.34Å; C100-S103 WeakPolarHBondContact CB-OG 3.47Å; C100-S103 PolarHBondContact SG-OG 2.82Å; C100-S103 VanDerWaalsContact SG-OG 3.33Å; C100-G104 VanDerWaalsContact O-CA 3.27Å; C100-G104 WeakPolarHBondContact O-CA 3.38Å; C100-G104 PolarHBondContact O-N 2.84Å; C100-R105 HydrophobicContact CB-CB 4.34Å; C100-R105 PolarHBondContact N-O 3.45Å; C100-F107 HydrophobicContact CB-CE2 4.39Å
101P95Very high96.7Very high62 Ų6243.5 Ų43.540%0.40323%0.23SC..THydrogen-bonded Turntrans-71.3-22.1-17529.1-36.3000113.3K18 P21K18-P101 WeakPolarHBondContact O-CG 3.26Å; P21-P101 WeakPolarHBondContact O-CD 3.3Å; P21-P101 WeakPolarHBondContact O-CG 3.49Å
102E94.8Very high96.7Very high91 Ų9144.2 Ų44.243%0.42524%0.237SC..THydrogen-bonded Turntrans-96.3-54.2-179.6-175173.9-172.400112.5V16 T17 K18 C100V16-E102 WeakPolarHBondContact CA-OE2 3.31Å; V16-E102 HydrophobicContact CG1-CB 4.23Å; V16-E102 WeakPolarHBondContact CG1-OE2 3.44Å; T17-E102 PolarHBondContact N-OE2 3.22Å; T17-E102 PolarHBondContact OG1-OE1 2.86Å; T17-E102 PolarHBondContact OG1-OE2 3.16Å; K18-E102 PolarHBondContact N-OE2 3.39Å; C100-E102 VanDerWaalsContact C-N 3.28Å; C100-E102 PolarHBondContact O-N 3.34Å
103S93.8Very high96.7Very high55 Ų5548.2 Ų48.239%0.38526%0.259SS..THydrogen-bonded Turntrans-83.7-15-176.966.60000113.9C100 R105C100-S103 WeakPolarHBondContact CB-OG 3.47Å; C100-S103 PolarHBondContact SG-OG 2.82Å; C100-S103 VanDerWaalsContact SG-OG 3.33Å; S103-R105 PolarHBondContact O-N 3.38Å; S103-R105 WeakPolarHBondContact OG-CB 3.43Å; S103-R105 PolarHBondContact OG-N 2.84Å
104G94.3Very high96.7Very high32 Ų3249.6 Ų49.633%0.3327%0.268SS..  trans71.30.2-173.100000114.5Q99 C100 E106Q99-G104 PolarHBondContact NE2-O 3.22Å; C100-G104 VanDerWaalsContact O-CA 3.27Å; C100-G104 WeakPolarHBondContact O-CA 3.38Å; C100-G104 PolarHBondContact O-N 2.84Å; G104-E106 PolarHBondContact O-N 3.05Å
105R95.4Very high96.6Very high73 Ų7352.1 Ų52.128%0.27528%0.281SS..  trans-58.8130.4178.2-178.659.1164105-1.3110.8V13 Q99 C100 S103 F107 E122V13-R105 HydrophobicContact CG2-CB 4.13Å; V13-R105 HydrophobicContact CG2-CG 4.04Å; Q99-R105 CarbonylContact C-O 3.51Å; Q99-R105 WeakPolarHBondContact CA-O 3.39Å; C100-R105 HydrophobicContact CB-CB 4.34Å; C100-R105 PolarHBondContact N-O 3.45Å; S103-R105 PolarHBondContact O-N 3.38Å; S103-R105 WeakPolarHBondContact OG-CB 3.43Å; S103-R105 PolarHBondContact OG-N 2.84Å; R105-F107 HydrophobicContact CG-CE1 4.34Å; R105-F107 HydrophobicContact CG-CE2 4.45Å; R105-F107 HydrophobicContact CG-CZ 4.11Å; R105-E122 VanDerWaalsContact CD-OE1 3.31Å; R105-E122 WeakPolarHBondContact CD-OE1 3.36Å; R105-E122 IonicContact CZ-OE1 2.69Å; R105-E122 IonicContact CZ-OE2 3.46Å; R105-E122 IonicContact NE-OE1 2.74Å; R105-E122 PolarHBondContact NE-OE1 2.81Å; R105-E122 IonicContact NE-OE2 2.91Å; R105-E122 PolarHBondContact NE-OE2 3.35Å; R105-E122 IonicContact NH2-OE2 3.24Å; R105-E122 PolarHBondContact NH2-OE2 3.19Å
106E96.4Very high96.5Very high79 Ų7952 Ų5237%0.36928%0.281SS..EExtended strand (participates in β ladder)trans-100133.6178.6-59.4-166.8154.800111.6K25 C97 L98 Q99 G104K25-E106 IonicContact NZ-OE1 2.84Å; K25-E106 PolarHBondContact NZ-OE1 3.32Å; C97-E106 HydrophobicContact CB-CB 4.28Å; L98-E106 CarbonylContact O-C 3.59Å; L98-E106 WeakPolarHBondContact O-CA 3.49Å; Q99-E106 HydrophobicContact CB-CG 4.26Å; Q99-E106 HydrophobicContact CG-CG 4.27Å; G104-E106 PolarHBondContact O-N 3.05Å
107F97.3Very high96.3Very high3 Ų357.7 Ų57.71%0.01331%0.307CS..EExtended strand (participates in β ladder)trans-109.2111.2174.8-58.5-77.8000108V13 L22 C97 L98 C100 R105 N115 M116 V118V13-F107 HydrophobicContact CG2-CZ 3.9Å; L22-F107 HydrophobicContact CD2-CD2 4.47Å; L22-F107 HydrophobicContact CD2-CE2 4.31Å; C97-F107 CarbonylContact C-O 3.57Å; C97-F107 VanDerWaalsContact CA-O 3.29Å; C97-F107 WeakPolarHBondContact CA-O 3.46Å; L98-F107 HydrophobicContact CB-CB 4.22Å; L98-F107 PolarHBondContact N-O 3.47Å; L98-F107 WeakPolarHBondContact O-CD2 3.34Å; L98-F107 PolarHBondContact O-N 3.33Å; C100-F107 HydrophobicContact CB-CE2 4.39Å; R105-F107 HydrophobicContact CG-CE1 4.34Å; R105-F107 HydrophobicContact CG-CE2 4.45Å; R105-F107 HydrophobicContact CG-CZ 4.11Å; F107-N115 WeakPolarHBondContact CB-O 3.4Å; F107-M116 HydrophobicContact CB-CE 4.48Å; F107-M116 HydrophobicContact CB-SD 3.75Å; F107-M116 HydrophobicContact CD1-CE 4.13Å; F107-M116 HydrophobicContact CD1-SD 4.14Å; F107-M116 HydrophobicContact CD2-CE 3.78Å; F107-M116 HydrophobicContact CD2-SD 4.17Å; F107-M116 HydrophobicContact CE1-CE 4.26Å; F107-M116 HydrophobicContact CE2-CE 3.94Å; F107-M116 HydrophobicContact CG-CE 3.87Å; F107-M116 HydrophobicContact CG-SD 3.76Å; F107-M116 HydrophobicContact CZ-CE 4.17Å; F107-V118 HydrophobicContact CE1-CG1 4.04Å
108P97.9Very high96Very high66 Ų6659.6 Ų59.643%0.42932%0.318SS..EExtended strand (participates in β ladder)trans-69.5142.7-173.927-32.2000111.2N115P108-N115 HydrophobicContact CG-CB 4.19Å; P108-N115 PolarHBondContact O-N 2.96Å
109I98.3Very high95.5Very high2 Ų264.1 Ų64.11%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-105.7120.8168-55.2169.5000106.3M1 V93 E95 G96 L98 I113 P114M1-I109 HydrophobicContact CB-CG2 4.35Å; M1-I109 HydrophobicContact CE-CD1 3.91Å; M1-I109 HydrophobicContact SD-CD1 4.18Å; V93-I109 HydrophobicContact CB-CD1 4.2Å; V93-I109 HydrophobicContact CG1-CD1 3.74Å; V93-I109 HydrophobicContact CG1-CG2 4.34Å; E95-I109 WeakPolarHBondContact CA-O 3.3Å; G96-I109 PolarHBondContact N-O 3.05Å; G96-I109 VanDerWaalsContact N-O 3.12Å; G96-I109 PolarHBondContact O-N 3.39Å; L98-I109 HydrophobicContact CD2-CD1 3.88Å; L98-I109 HydrophobicContact CG-CD1 3.88Å; L98-I109 HydrophobicContact CG-CG1 4.13Å; I109-I113 WeakPolarHBondContact CA-O 3.46Å; I109-P114 HydrophobicContact CG1-CB 4.21Å
110S97.8Very high94.8Very high58 Ų5871 Ų7141%0.40638%0.375SS..EExtended strand (participates in β ladder)trans-133.2137173.7-176.70000110.9I94 E95 G112 I113I94-S110 CarbonylContact O-C 3.51Å; E95-S110 PolarHBondContact OE1-OG 3.03Å; E95-S110 WeakPolarHBondContact OE2-CA 3.25Å; E95-S110 PolarHBondContact OE2-OG 3.35Å; S110-G112 PolarHBondContact O-N 3.26Å; S110-G112 VanDerWaalsContact O-N 3.14Å; S110-I113 PolarHBondContact N-O 3.44Å; S110-I113 VanDerWaalsContact N-O 3.07Å; S110-I113 PolarHBondContact O-N 2.84Å
111R96.5Very high94.2Very high206 Ų20678 Ų7878%0.77741%0.412SS*.THydrogen-bonded Turntrans5037.2-175-59.5177.9-68.1-176.2-0.6112.1I94 E95 I113I94-R111 PolarHBondContact O-N 3.18Å; I94-R111 VanDerWaalsContact O-N 3.14Å; E95-R111 PolarHBondContact OE1-N 2.84Å; R111-I113 VanDerWaalsContact C-N 3.29Å; R111-I113 PolarHBondContact O-N 3.2Å
112G95.5Very high93.3Very high16 Ų1677.2 Ų77.217%0.16540%0.403CS..THydrogen-bonded Turntrans74.98.9-179.700000115.9M1 V93 I94 S110M1-G112 WeakPolarHBondContact CA-O 3.27Å; M1-G112 VanDerWaalsContact CB-O 3.31Å; M1-G112 WeakPolarHBondContact CB-O 3.39Å; M1-G112 PolarHBondContact N-O 2.71Å; V93-G112 WeakPolarHBondContact O-CA 3.4Å; I94-G112 PolarHBondContact O-N 2.91Å; S110-G112 PolarHBondContact O-N 3.26Å; S110-G112 VanDerWaalsContact O-N 3.14Å
113I97.5Very high92.3Very high119 Ų11977 Ų7761%0.6142%0.418SS*.EExtended strand (participates in β ladder)trans-110.7117.8-178.8-56.9174000109.4I109 S110 R111I109-I113 WeakPolarHBondContact CA-O 3.46Å; S110-I113 PolarHBondContact N-O 3.44Å; S110-I113 VanDerWaalsContact N-O 3.07Å; S110-I113 PolarHBondContact O-N 2.84Å; R111-I113 VanDerWaalsContact C-N 3.29Å; R111-I113 PolarHBondContact O-N 3.2Å
114P97.1Very high92.2Very high29 Ų2978.2 Ų78.219%0.18842%0.419CS..EExtended strand (participates in β ladder)trans-74.1131.6173.130-32000110.7M1 L9 L98 I109M1-P114 HydrophobicContact CG-CG 4.13Å; M1-P114 HydrophobicContact SD-CB 4.04Å; M1-P114 HydrophobicContact SD-CG 3.87Å; L9-P114 HydrophobicContact CD1-CB 4.12Å; L9-P114 HydrophobicContact CD1-CG 3.87Å; L98-P114 HydrophobicContact CD1-CB 4.07Å; I109-P114 HydrophobicContact CG1-CB 4.21Å
115N96.8Very high92.1Very high75 Ų7580.6 Ų80.640%0.40142%0.424SS..  trans-99.1102.1173.8-177.3-0.8000110.7F107 P108 L117F107-N115 WeakPolarHBondContact CB-O 3.4Å; P108-N115 HydrophobicContact CG-CB 4.19Å; P108-N115 PolarHBondContact O-N 2.96Å; N115-L117 VanDerWaalsContact OD1-CB 3.3Å; N115-L117 WeakPolarHBondContact OD1-CB 3.39Å; N115-L117 VanDerWaalsContact OD1-CG 3.26Å; N115-L117 WeakPolarHBondContact OD1-CG 3.21Å; N115-L117 PolarHBondContact OD1-N 3.01Å; N115-L117 VanDerWaalsContact OD1-N 3.08Å
116M94.8Very high92Very high54 Ų5481 Ų8127%0.26643%0.432SS..  trans-94.413.5-178.6-57.1-58.7-63.400113.6L9 L22 L98 F107L9-M116 HydrophobicContact CD1-SD 4.29Å; L9-M116 HydrophobicContact CD2-CG 4.11Å; L22-M116 HydrophobicContact CD1-CE 3.69Å; L22-M116 HydrophobicContact CD1-SD 4.39Å; L98-M116 HydrophobicContact CD1-SD 4.14Å; F107-M116 HydrophobicContact CB-CE 4.48Å; F107-M116 HydrophobicContact CB-SD 3.75Å; F107-M116 HydrophobicContact CD1-CE 4.13Å; F107-M116 HydrophobicContact CD1-SD 4.14Å; F107-M116 HydrophobicContact CD2-CE 3.78Å; F107-M116 HydrophobicContact CD2-SD 4.17Å; F107-M116 HydrophobicContact CE1-CE 4.26Å; F107-M116 HydrophobicContact CE2-CE 3.94Å; F107-M116 HydrophobicContact CG-CE 3.87Å; F107-M116 HydrophobicContact CG-SD 3.76Å; F107-M116 HydrophobicContact CZ-CE 4.17Å
117L93.6Very high91.7Very high134 Ų13481.1 Ų81.170%0.70244%0.436SS*.  trans-66.9134.8178-65.2175.1000110.6N115N115-L117 VanDerWaalsContact OD1-CB 3.3Å; N115-L117 WeakPolarHBondContact OD1-CB 3.39Å; N115-L117 VanDerWaalsContact OD1-CG 3.26Å; N115-L117 WeakPolarHBondContact OD1-CG 3.21Å; N115-L117 PolarHBondContact OD1-N 3.01Å; N115-L117 VanDerWaalsContact OD1-N 3.08Å
118V90.7Very high91.3Very high56 Ų5686 Ų8634%0.33946%0.462SS..  trans-109.3148.5173.8-67.40000109.2V13 F107 E122 A123V13-V118 HydrophobicContact CG2-CG1 4.11Å; F107-V118 HydrophobicContact CE1-CG1 4.04Å; V118-E122 HydrophobicContact CB-CB 4.1Å; V118-A123 HydrophobicContact CG2-CB 4.15Å
119N88.4Confident90.9Very high96 Ų9687.3 Ų87.351%0.51347%0.465SS..  trans-71.9161.1172.8-60.8-60000110.4D121 E122 A123N119-D121 PolarHBondContact O-N 3.45Å; N119-E122 HydrophobicContact CB-CG 4.33Å; N119-E122 PolarHBondContact N-OE2 3.34Å; N119-E122 PolarHBondContact ND2-OE2 3.4Å; N119-E122 CarbonylContact O-C 3.56Å; N119-E122 WeakPolarHBondContact O-CA 3.39Å; N119-E122 PolarHBondContact O-N 2.77Å; N119-A123 PolarHBondContact O-N 2.72Å
120E82.8Confident90.4Very high183 Ų18393.4 Ų93.486%0.85550%0.497SS*.G310 helixtrans-56.6-35.2179.1-69.8-174.5165.900112.7E122 A123E120-E122 VanDerWaalsContact C-N 3.26Å; E120-E122 PolarHBondContact O-N 3.42Å; E120-A123 PolarHBondContact O-N 3.4Å
121D82.8Confident89.8Confident149 Ų14996.2 Ų96.280%0.79750%0.504SS*.G310 helixtrans-70.2-23.2177.2-59.2-46.4000113.2N119N119-D121 PolarHBondContact O-N 3.45Å
122E76.8Confident89.3Confident45 Ų4587 Ų8721%0.2148%0.481CS..G310 helixtrans-96.1-4.1-178.5-61.9-179.3116.100112.8V13 K14 R105 V118 N119 E120V13-E122 HydrophobicContact CG1-CB 4.48Å; K14-E122 WeakPolarHBondContact CB-O 3.49Å; K14-E122 PolarHBondContact N-O 3.41Å; R105-E122 VanDerWaalsContact CD-OE1 3.31Å; R105-E122 WeakPolarHBondContact CD-OE1 3.36Å; R105-E122 IonicContact CZ-OE1 2.69Å; R105-E122 IonicContact CZ-OE2 3.46Å; R105-E122 IonicContact NE-OE1 2.74Å; R105-E122 PolarHBondContact NE-OE1 2.81Å; R105-E122 IonicContact NE-OE2 2.91Å; R105-E122 PolarHBondContact NE-OE2 3.35Å; R105-E122 IonicContact NH2-OE2 3.24Å; R105-E122 PolarHBondContact NH2-OE2 3.19Å; V118-E122 HydrophobicContact CB-CB 4.1Å; N119-E122 HydrophobicContact CB-CG 4.33Å; N119-E122 PolarHBondContact N-OE2 3.34Å; N119-E122 PolarHBondContact ND2-OE2 3.4Å; N119-E122 CarbonylContact O-C 3.56Å; N119-E122 WeakPolarHBondContact O-CA 3.39Å; N119-E122 PolarHBondContact O-N 2.77Å; E120-E122 VanDerWaalsContact C-N 3.26Å; E120-E122 PolarHBondContact O-N 3.42Å
123A74.4Confident88.7Confident88 Ų8893.5 Ų93.573%0.72751%0.51SS*.  trans-890-179.700000113.7K14 V118 N119 E120K14-A123 WeakPolarHBondContact CD-O 3.41Å; V118-A123 HydrophobicContact CG2-CB 4.15Å; N119-A123 PolarHBondContact O-N 2.72Å; E120-A123 PolarHBondContact O-N 3.4Å

Retrieved 123 of 123 residues in 249.2 ms (Link to these results)

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