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Mediator of RNA polymerase II transcription subunit 30

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession B9ELG9, Species SALSA (Salmo salar, Atlantic salmon), Gene MED30, Length 171 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
1M39.2Very low40.8Very low244 Ų244134.4 Ų134.4100%1.20282%0.815SS**  0103.30-69.8-172.8174.200107.4
2T43.9Very low40.7Very low140 Ų140140.1 Ų140.186%0.85983%0.826SS**  trans-120.5108.6-174.653.80000108
3T41.7Very low40.5Very low137 Ų137143.8 Ų143.884%0.8483%0.83SS**PPolyproline II helixtrans-72.5134174.432.10000110.2
4P43.3Very low40.6Very low113 Ų113139.1 Ų139.173%0.73482%0.817SS**PPolyproline II helixtrans-80.4150.6170.731.3-30.1000110.7
5P46.4Very low40.4Very low119 Ų119142.7 Ų142.777%0.77382%0.822SS**PPolyproline II helixtrans-76.9131179.430.7-30.4000110.3V7P5-V7 PolarHBondContact O-N 3.18Å
6I43.8Very low40.4Very low163 Ų163139.8 Ų139.884%0.83682%0.821SS**  trans-72.5108.1168.2-64.2172.7000106.8A8I6-A8 PolarHBondContact O-N 3.26Å
7V42.8Very low40.7Very low118 Ų118135.7 Ų135.772%0.71581%0.807SS**  trans-72.8106.2168.2-176.50000107P5 F9P5-V7 PolarHBondContact O-N 3.18Å; V7-F9 PolarHBondContact O-N 2.91Å; V7-F9 VanDerWaalsContact O-N 3.11Å
8A36.8Very low41.3Very low86 Ų86141.4 Ų141.471%0.71181%0.812SS**  trans-63.6108.7170.200000108.8I6 A10I6-A8 PolarHBondContact O-N 3.26Å; A8-A10 PolarHBondContact O-N 3.11Å
9F38.6Very low42.2Very low206 Ų206141.9 Ų141.990%0.90481%0.812SS**  trans-66.888.2160.5-100.1-92.5000107.4V7 G11V7-F9 PolarHBondContact O-N 2.91Å; V7-F9 VanDerWaalsContact O-N 3.11Å; F9-G11 PolarHBondContact O-N 2.89Å; F9-G11 VanDerWaalsContact O-N 3.09Å
10A37.5Very low43.4Very low87 Ų87138.9 Ų138.972%0.71980%0.796SS**  trans-60.6111.5163.100000107.1A8 Q12A8-A10 PolarHBondContact O-N 3.11Å; A10-Q12 PolarHBondContact O-N 3.09Å; A10-Q12 VanDerWaalsContact O-N 3.14Å
11G34.9Very low45.3Very low65 Ų65137 Ų13767%0.6778%0.783SS**  trans-57116.7178.900000110.9F9 Q13F9-G11 PolarHBondContact O-N 2.89Å; F9-G11 VanDerWaalsContact O-N 3.09Å; G11-Q13 PolarHBondContact O-N 3.14Å
12Q39Very low47.5Very low203 Ų203127.3 Ų127.395%0.94974%0.738SS**  trans-70.749.5159.6-81177-47.200110.8A10A10-Q12 PolarHBondContact O-N 3.09Å; A10-Q12 VanDerWaalsContact O-N 3.14Å
13Q39.2Very low49.5Very low189 Ų189123.7 Ų123.788%0.88372%0.722SS**  trans-110.362.8173.2-83179.5-16.600109.5G11G11-Q13 PolarHBondContact O-N 3.14Å
14A41.5Very low51.8Low78 Ų78120 Ų12065%0.64570%0.702SS**SBendtrans-164.172.4166.300000110.1
15Q38.1Very low54Low192 Ų192115.3 Ų115.390%0.89767%0.67SS**  trans17871.7144.3-116.7102.22800108.8
16A39.8Very low56.2Low96 Ų96112.9 Ų112.979%0.79366%0.655SS**  trans-120.556.5155.100000106.7R18A16-R18 PolarHBondContact O-N 3.12Å
17A45.1Very low58.5Low71 Ų71113 Ų11359%0.58765%0.646SS**  trans-53.2125.8149.500000104.2D19A17-D19 PolarHBondContact O-N 2.66Å
18R52.3Low61Low239 Ų239110.4 Ų110.490%0.90263%0.627SS**  trans-63.986.4-178.9-69.5-170.7177.5-171.10.4107.9A16 V20A16-R18 PolarHBondContact O-N 3.12Å; R18-V20 PolarHBondContact O-N 2.96Å
19D58Low63.8Low150 Ų150106.8 Ų106.880%0.80260%0.598SS**  trans-58.2113.6171.3-73.3-43.2000105.9A17 N21A17-D19 PolarHBondContact O-N 2.66Å; D19-N21 PolarHBondContact O-N 3.35Å
20V66.6Low66.5Low81 Ų81103.7 Ų103.749%0.49159%0.586SS.*  trans-63.1112-177.5-175.50000106.4R18 T22 L25 N94R18-V20 PolarHBondContact O-N 2.96Å; V20-T22 PolarHBondContact O-N 3.35Å; V20-L25 HydrophobicContact CG1-CD1 4.37Å; V20-L25 HydrophobicContact CG1-CD2 3.69Å; V20-L25 HydrophobicContact CG1-CG 3.77Å; V20-N94 PolarHBondContact O-ND2 3.37Å
21N82.8Confident69.4Low101 Ų101103.5 Ų103.554%0.5457%0.571SS.*  trans-56.2128.9-176.8-178.9-25.2000109.9D19 A23 S24 L25D19-N21 PolarHBondContact O-N 3.35Å; N21-A23 PolarHBondContact O-N 3.43Å; N21-A23 WeakPolarHBondContact OD1-CB 3.4Å; N21-A23 PolarHBondContact OD1-N 3.19Å; N21-S24 WeakPolarHBondContact O-CA 3.37Å; N21-S24 VanDerWaalsContact O-CB 3.28Å; N21-S24 WeakPolarHBondContact O-CB 3.44Å; N21-S24 PolarHBondContact O-N 2.9Å; N21-L25 PolarHBondContact O-N 2.86Å
22T86.1Confident72.4Confident40 Ų40100.4 Ų100.425%0.24554%0.539CS..Hα-helixtrans-53.6-38.7178.2-52.10000112.3V20 S24 L25 C26 N94V20-T22 PolarHBondContact O-N 3.35Å; T22-S24 VanDerWaalsContact C-N 3.28Å; T22-S24 PolarHBondContact O-N 2.89Å; T22-L25 PolarHBondContact O-N 3.38Å; T22-L25 VanDerWaalsContact O-N 3.16Å; T22-C26 PolarHBondContact O-N 3.39Å; T22-C26 PolarHBondContact O-SG 3.46Å; T22-C26 VanDerWaalsContact O-SG 3.34Å; T22-N94 HydrophobicContact CG2-CB 4.3Å; T22-N94 WeakPolarHBondContact OG1-CB 3.37Å; T22-N94 PolarHBondContact OG1-ND2 3.27Å
23A85.8Confident75.2Confident64 Ų6494 Ų9453%0.52951%0.513SS..Hα-helixtrans-61.9-36.4175.300000112.3N21 R27N21-A23 PolarHBondContact O-N 3.43Å; N21-A23 WeakPolarHBondContact OD1-CB 3.4Å; N21-A23 PolarHBondContact OD1-N 3.19Å; A23-R27 PolarHBondContact O-N 3.47Å; A23-R27 VanDerWaalsContact O-N 3.08Å
24S88.6Confident78Confident59 Ų5990.5 Ų90.541%0.41350%0.497SS..Hα-helixtrans-68.8-39.8174.5-55.70000111.7N21 T22 R27 I28N21-S24 WeakPolarHBondContact O-CA 3.37Å; N21-S24 VanDerWaalsContact O-CB 3.28Å; N21-S24 WeakPolarHBondContact O-CB 3.44Å; N21-S24 PolarHBondContact O-N 2.9Å; T22-S24 VanDerWaalsContact C-N 3.28Å; T22-S24 PolarHBondContact O-N 2.89Å; S24-R27 PolarHBondContact O-N 3.49Å; S24-I28 VanDerWaalsContact O-CG1 3.27Å; S24-I28 WeakPolarHBondContact O-CG1 3.46Å; S24-I28 PolarHBondContact O-N 3.22Å
25L91.3Very high80.7Confident14 Ų1490.2 Ų90.27%0.07348%0.484CS..Hα-helixtrans-63.4-44.2174.3-68171.4000111.7V20 N21 T22 R27 I28 G29 V87 K90 C91V20-L25 HydrophobicContact CG1-CD1 4.37Å; V20-L25 HydrophobicContact CG1-CD2 3.69Å; V20-L25 HydrophobicContact CG1-CG 3.77Å; N21-L25 PolarHBondContact O-N 2.86Å; T22-L25 PolarHBondContact O-N 3.38Å; T22-L25 VanDerWaalsContact O-N 3.16Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 PolarHBondContact O-N 3.25Å; L25-I28 PolarHBondContact O-N 3.42Å; L25-G29 PolarHBondContact O-N 2.96Å; L25-V87 HydrophobicContact CB-CG1 4.45Å; L25-V87 VanDerWaalsContact O-CG1 3.26Å; L25-V87 WeakPolarHBondContact O-CG1 3.39Å; L25-K90 HydrophobicContact CD1-CB 4.06Å; L25-K90 HydrophobicContact CD1-CG 3.53Å; L25-K90 HydrophobicContact CD2-CG 4.36Å; L25-C91 WeakPolarHBondContact CB-SG 3.48Å
26C91.3Very high83.6Confident68 Ų6881.8 Ų81.846%0.45945%0.445SS..Hα-helixtrans-59.8-41.7176.3-69.50000111.9T22 G29 Q30T22-C26 PolarHBondContact O-N 3.39Å; T22-C26 PolarHBondContact O-SG 3.46Å; T22-C26 VanDerWaalsContact O-SG 3.34Å; C26-G29 PolarHBondContact O-N 3.41Å; C26-Q30 PolarHBondContact O-N 3.44Å
27R92.9Very high86.3Confident167 Ų16781 Ų8163%0.6343%0.43SS*.Hα-helixtrans-62.2-45.8174.8-176175.4176.81634.6112.1A23 S24 L25 G29 Q30 E31A23-R27 PolarHBondContact O-N 3.47Å; A23-R27 VanDerWaalsContact O-N 3.08Å; S24-R27 PolarHBondContact O-N 3.49Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 PolarHBondContact O-N 3.25Å; R27-G29 VanDerWaalsContact C-N 3.26Å; R27-G29 PolarHBondContact O-N 2.94Å; R27-Q30 PolarHBondContact O-N 2.92Å; R27-E31 IonicContact NE-OE1 2.85Å; R27-E31 PolarHBondContact NE-OE1 3.41Å; R27-E31 WeakPolarHBondContact O-CG 3.45Å; R27-E31 PolarHBondContact O-N 2.82Å
28I95Very high88.9Confident62 Ų6281.6 Ų81.632%0.31842%0.423SS..Hα-helixtrans-61.7-38.3175.6-66.2163.8000110.8S24 L25 T32 V87S24-I28 VanDerWaalsContact O-CG1 3.27Å; S24-I28 WeakPolarHBondContact O-CG1 3.46Å; S24-I28 PolarHBondContact O-N 3.22Å; L25-I28 PolarHBondContact O-N 3.42Å; I28-T32 WeakPolarHBondContact O-CB 3.34Å; I28-T32 PolarHBondContact O-N 3.14Å; I28-T32 PolarHBondContact O-OG1 2.89Å; I28-V87 HydrophobicContact CG2-CG2 3.94Å
29G95.9Very high91Very high10 Ų1071.6 Ų71.610%0.10339%0.385CS..Hα-helixtrans-61.4-48.7175.600000111.7L25 C26 R27 T32 V33L25-G29 PolarHBondContact O-N 2.96Å; C26-G29 PolarHBondContact O-N 3.41Å; R27-G29 VanDerWaalsContact C-N 3.26Å; R27-G29 PolarHBondContact O-N 2.94Å; G29-T32 PolarHBondContact O-N 2.78Å; G29-V33 WeakPolarHBondContact O-CG2 3.46Å; G29-V33 PolarHBondContact O-N 2.88Å
30Q95.9Very high92.9Very high142 Ų14266.4 Ų66.466%0.66436%0.359SS*.Hα-helixtrans-58.7-49176.4-176-174.2-2.800112C26 R27 T32 V33 Q34C26-Q30 PolarHBondContact O-N 3.44Å; R27-Q30 PolarHBondContact O-N 2.92Å; Q30-T32 VanDerWaalsContact C-N 3.29Å; Q30-T32 PolarHBondContact O-N 3.42Å; Q30-V33 PolarHBondContact O-N 3.46Å; Q30-Q34 PolarHBondContact O-N 3.36Å
31E96.9Very high94.4Very high83 Ų8367.1 Ų67.139%0.38836%0.359SS..Hα-helixtrans-59-41.8176.8-71.7171.3-172.700110.9R27 V33 Q34 D35R27-E31 IonicContact NE-OE1 2.85Å; R27-E31 PolarHBondContact NE-OE1 3.41Å; R27-E31 WeakPolarHBondContact O-CG 3.45Å; R27-E31 PolarHBondContact O-N 2.82Å; E31-V33 PolarHBondContact O-N 3.3Å; E31-Q34 WeakPolarHBondContact O-CB 3.3Å; E31-Q34 PolarHBondContact O-N 3.23Å; E31-D35 PolarHBondContact O-N 3.4Å
32T98Very high95Very high0 Ų066 Ų660%035%0.35CS..Hα-helixtrans-65.6-38.9178.2-54.80000112.2I28 G29 Q30 D35 I36 L80 K83 L84I28-T32 WeakPolarHBondContact O-CB 3.34Å; I28-T32 PolarHBondContact O-N 3.14Å; I28-T32 PolarHBondContact O-OG1 2.89Å; G29-T32 PolarHBondContact O-N 2.78Å; Q30-T32 VanDerWaalsContact C-N 3.29Å; Q30-T32 PolarHBondContact O-N 3.42Å; T32-D35 PolarHBondContact O-N 3.27Å; T32-I36 HydrophobicContact CG2-CD1 4.34Å; T32-I36 VanDerWaalsContact O-CG1 3.28Å; T32-I36 WeakPolarHBondContact O-CG1 3.21Å; T32-I36 PolarHBondContact O-N 3.31Å; T32-L80 HydrophobicContact CG2-CB 4.44Å; T32-L80 HydrophobicContact CG2-CD2 4.18Å; T32-L80 WeakPolarHBondContact CG2-O 3.23Å; T32-K83 HydrophobicContact CG2-CB 4.36Å; T32-K83 HydrophobicContact CG2-CD 4.06Å; T32-K83 HydrophobicContact CG2-CG 4.29Å; T32-K83 VanDerWaalsContact OG1-CE 3.31Å; T32-K83 WeakPolarHBondContact OG1-CE 3.23Å; T32-K83 PolarHBondContact OG1-NZ 3.35Å; T32-L84 HydrophobicContact CG2-CB 3.93Å
33V98.4Very high95.5Very high67 Ų6764.8 Ų64.841%0.40634%0.342SS..Hα-helixtrans-64.5-42.4174.2171.70000110.7G29 Q30 E31 D35 I36 V37 L84G29-V33 WeakPolarHBondContact O-CG2 3.46Å; G29-V33 PolarHBondContact O-N 2.88Å; Q30-V33 PolarHBondContact O-N 3.46Å; E31-V33 PolarHBondContact O-N 3.3Å; V33-D35 VanDerWaalsContact C-N 3.35Å; V33-D35 PolarHBondContact O-N 2.91Å; V33-I36 WeakPolarHBondContact O-CB 3.47Å; V33-I36 PolarHBondContact O-N 2.96Å; V33-V37 WeakPolarHBondContact O-CG2 3.48Å; V33-V37 PolarHBondContact O-N 3.25Å; V33-L84 HydrophobicContact CG2-CD1 3.75Å; V33-L84 HydrophobicContact CG2-CD2 3.95Å
34Q97.9Very high96.1Very high117 Ų11768 Ų6855%0.54734%0.344SS..Hα-helixtrans-60.3-45.5176.6-173.9175.627.500111.4Q30 E31 I36 V37 L38Q30-Q34 PolarHBondContact O-N 3.36Å; E31-Q34 WeakPolarHBondContact O-CB 3.3Å; E31-Q34 PolarHBondContact O-N 3.23Å; Q34-I36 VanDerWaalsContact C-N 3.31Å; Q34-I36 PolarHBondContact O-N 3.38Å; Q34-V37 PolarHBondContact O-N 3.09Å; Q34-L38 HydrophobicContact CG-CD1 4.24Å; Q34-L38 WeakPolarHBondContact O-CG 3.45Å; Q34-L38 PolarHBondContact O-N 3.47Å
35D98.1Very high96.4Very high71 Ų7170.6 Ų70.638%0.3835%0.35SS..Hα-helixtrans-60.2-40.2176.4-72.5-18.6000112.1E31 T32 V33 V37 L38 R39 L80E31-D35 PolarHBondContact O-N 3.4Å; T32-D35 PolarHBondContact O-N 3.27Å; V33-D35 VanDerWaalsContact C-N 3.35Å; V33-D35 PolarHBondContact O-N 2.91Å; D35-V37 VanDerWaalsContact C-N 3.35Å; D35-V37 PolarHBondContact O-N 3.42Å; D35-L38 PolarHBondContact O-N 2.96Å; D35-R39 WeakPolarHBondContact O-CB 3.31Å; D35-R39 PolarHBondContact O-N 3.47Å; D35-L80 HydrophobicContact CB-CD1 3.97Å; D35-L80 HydrophobicContact CB-CD2 3.98Å
36I98.5Very high96.5Very high16 Ų1671 Ų718%0.08235%0.352CS..Hα-helixtrans-60.1-46.5175.4-72.8165.4000110.5T32 V33 Q34 R39 T40 L77 L80 F81 L84T32-I36 HydrophobicContact CG2-CD1 4.34Å; T32-I36 VanDerWaalsContact O-CG1 3.28Å; T32-I36 WeakPolarHBondContact O-CG1 3.21Å; T32-I36 PolarHBondContact O-N 3.31Å; V33-I36 WeakPolarHBondContact O-CB 3.47Å; V33-I36 PolarHBondContact O-N 2.96Å; Q34-I36 VanDerWaalsContact C-N 3.31Å; Q34-I36 PolarHBondContact O-N 3.38Å; I36-R39 PolarHBondContact O-N 2.96Å; I36-T40 VanDerWaalsContact O-CB 3.29Å; I36-T40 WeakPolarHBondContact O-CB 3.48Å; I36-T40 PolarHBondContact O-N 3.43Å; I36-T40 PolarHBondContact O-OG1 3.31Å; I36-L77 HydrophobicContact CB-CD1 4.36Å; I36-L77 HydrophobicContact CG1-CD1 4.38Å; I36-L77 HydrophobicContact CG2-CD1 3.96Å; I36-L80 HydrophobicContact CD1-CB 4.11Å; I36-L80 HydrophobicContact CG1-CB 3.58Å; I36-L80 HydrophobicContact CG1-CD1 4.05Å; I36-L80 HydrophobicContact CG1-CG 4.39Å; I36-F81 HydrophobicContact CD1-CD1 3.97Å; I36-F81 HydrophobicContact CD1-CE1 3.98Å; I36-F81 HydrophobicContact CD1-CG 4.43Å; I36-F81 HydrophobicContact CD1-CZ 4.46Å; I36-F81 HydrophobicContact CG2-CE1 4.18Å; I36-F81 HydrophobicContact CG2-CE2 4.32Å; I36-F81 HydrophobicContact CG2-CZ 3.77Å; I36-L84 HydrophobicContact CD1-CB 4.36Å; I36-L84 HydrophobicContact CD1-CD2 3.81Å
37V98.1Very high96.5Very high78 Ų7871.5 Ų71.547%0.47335%0.349SS..Hα-helixtrans-62.5-50.2179.4173.40000110.3V33 Q34 D35 R39 T40 M41V33-V37 WeakPolarHBondContact O-CG2 3.48Å; V33-V37 PolarHBondContact O-N 3.25Å; Q34-V37 PolarHBondContact O-N 3.09Å; D35-V37 VanDerWaalsContact C-N 3.35Å; D35-V37 PolarHBondContact O-N 3.42Å; V37-R39 VanDerWaalsContact C-N 3.34Å; V37-R39 PolarHBondContact O-N 3.23Å; V37-T40 WeakPolarHBondContact O-CB 3.22Å; V37-T40 PolarHBondContact O-N 3.43Å; V37-M41 HydrophobicContact CG1-SD 4.17Å; V37-M41 WeakPolarHBondContact O-CG 3.44Å; V37-M41 PolarHBondContact O-N 2.95Å
38L97.7Very high96.4Very high85 Ų8574 Ų7445%0.44536%0.359SS..Hα-helixtrans-57.5-47.8178.4-70.4174.1000111.3Q34 D35 T40 M41 E42Q34-L38 HydrophobicContact CG-CD1 4.24Å; Q34-L38 WeakPolarHBondContact O-CG 3.45Å; Q34-L38 PolarHBondContact O-N 3.47Å; D35-L38 PolarHBondContact O-N 2.96Å; L38-T40 VanDerWaalsContact C-N 3.27Å; L38-T40 PolarHBondContact O-N 2.93Å; L38-M41 WeakPolarHBondContact O-CB 3.3Å; L38-M41 PolarHBondContact O-N 3.42Å; L38-M41 VanDerWaalsContact O-N 3.15Å; L38-E42 WeakPolarHBondContact O-CG 3.32Å; L38-E42 PolarHBondContact O-N 3.37Å
39R97.6Very high96Very high28 Ų2875.4 Ų75.411%0.10637%0.367CS..Hα-helixtrans-61.9-38.4179.9-169.566.7-86.4157.9-4.6112.1D35 I36 V37 E42 I43 H73 L77D35-R39 WeakPolarHBondContact O-CB 3.31Å; D35-R39 PolarHBondContact O-N 3.47Å; I36-R39 PolarHBondContact O-N 2.96Å; V37-R39 VanDerWaalsContact C-N 3.34Å; V37-R39 PolarHBondContact O-N 3.23Å; R39-E42 WeakPolarHBondContact CA-OE2 3.46Å; R39-E42 IonicContact CZ-OE1 3.22Å; R39-E42 VanDerWaalsContact CZ-OE1 3.22Å; R39-E42 IonicContact CZ-OE2 2.77Å; R39-E42 IonicContact NE-OE2 2.76Å; R39-E42 PolarHBondContact NE-OE2 2.93Å; R39-E42 IonicContact NH1-OE1 2.96Å; R39-E42 PolarHBondContact NH1-OE1 2.98Å; R39-E42 IonicContact NH1-OE2 2.77Å; R39-E42 PolarHBondContact NH1-OE2 3.19Å; R39-E42 IonicContact NH2-OE1 3.32Å; R39-E42 PolarHBondContact NH2-OE1 3.37Å; R39-E42 IonicContact NH2-OE2 3.05Å; R39-E42 PolarHBondContact NH2-OE2 2.92Å; R39-E42 PolarHBondContact O-N 3.12Å; R39-I43 VanDerWaalsContact O-CG1 3.31Å; R39-I43 WeakPolarHBondContact O-CG1 3.36Å; R39-I43 PolarHBondContact O-N 3.3Å; R39-H73 VanDerWaalsContact NE-CG 3.32Å; R39-H73 PolarHBondContact NE-ND1 3.37Å; R39-H73 PolarHBondContact NH1-CE1 3.05Å; R39-H73 PolarHBondContact NH1-ND1 3.29Å; R39-H73 PolarHBondContact NH2-CD2 2.92Å; R39-H73 PolarHBondContact NH2-CE1 3.33Å; R39-H73 PolarHBondContact NH2-ND1 2.76Å; R39-H73 PolarHBondContact NH2-NE2 3.4Å; R39-L77 HydrophobicContact CB-CD1 4.24Å; R39-L77 HydrophobicContact CG-CB 4.4Å; R39-L77 HydrophobicContact CG-CD1 4.27Å
40T98Very high95.5Very high41 Ų4176.8 Ų76.825%0.25237%0.371SS..Hα-helixtrans-66.5-42.4176.4-58.70000111.2I36 V37 L38 E42 I43 F44I36-T40 VanDerWaalsContact O-CB 3.29Å; I36-T40 WeakPolarHBondContact O-CB 3.48Å; I36-T40 PolarHBondContact O-N 3.43Å; I36-T40 PolarHBondContact O-OG1 3.31Å; V37-T40 WeakPolarHBondContact O-CB 3.22Å; V37-T40 PolarHBondContact O-N 3.43Å; L38-T40 VanDerWaalsContact C-N 3.27Å; L38-T40 PolarHBondContact O-N 2.93Å; T40-E42 VanDerWaalsContact C-N 3.34Å; T40-E42 PolarHBondContact O-N 3.3Å; T40-I43 WeakPolarHBondContact O-CB 3.4Å; T40-I43 PolarHBondContact O-N 3.36Å; T40-F44 HydrophobicContact CG2-CD2 3.86Å; T40-F44 HydrophobicContact CG2-CE2 3.43Å; T40-F44 VanDerWaalsContact CG2-CE2 3.43Å; T40-F44 HydrophobicContact CG2-CZ 4.27Å; T40-F44 VanDerWaalsContact O-CD2 3.25Å; T40-F44 WeakPolarHBondContact O-CD2 3.44Å; T40-F44 PolarHBondContact O-N 3.03Å
41M97.4Very high94.6Very high97 Ų9775.5 Ų75.548%0.47837%0.365SS..Hα-helixtrans-59.5-45.2174.6-69.2174.167.500111.5V37 L38 I43 F44 Q45V37-M41 HydrophobicContact CG1-SD 4.17Å; V37-M41 WeakPolarHBondContact O-CG 3.44Å; V37-M41 PolarHBondContact O-N 2.95Å; L38-M41 WeakPolarHBondContact O-CB 3.3Å; L38-M41 PolarHBondContact O-N 3.42Å; L38-M41 VanDerWaalsContact O-N 3.15Å; M41-I43 VanDerWaalsContact C-N 3.33Å; M41-I43 PolarHBondContact O-N 2.96Å; M41-F44 PolarHBondContact O-N 3.48Å; M41-Q45 WeakPolarHBondContact O-CG 3.5Å; M41-Q45 PolarHBondContact O-N 2.97Å
42E96.2Very high93.5Very high78 Ų7878.1 Ų78.136%0.36438%0.381SS..Hα-helixtrans-66.7-34.2178.6-66.2169.489.300112.4L38 R39 T40 Q45 L46L38-E42 WeakPolarHBondContact O-CG 3.32Å; L38-E42 PolarHBondContact O-N 3.37Å; R39-E42 WeakPolarHBondContact CA-OE2 3.46Å; R39-E42 IonicContact CZ-OE1 3.22Å; R39-E42 VanDerWaalsContact CZ-OE1 3.22Å; R39-E42 IonicContact CZ-OE2 2.77Å; R39-E42 IonicContact NE-OE2 2.76Å; R39-E42 PolarHBondContact NE-OE2 2.93Å; R39-E42 IonicContact NH1-OE1 2.96Å; R39-E42 PolarHBondContact NH1-OE1 2.98Å; R39-E42 IonicContact NH1-OE2 2.77Å; R39-E42 PolarHBondContact NH1-OE2 3.19Å; R39-E42 IonicContact NH2-OE1 3.32Å; R39-E42 PolarHBondContact NH2-OE1 3.37Å; R39-E42 IonicContact NH2-OE2 3.05Å; R39-E42 PolarHBondContact NH2-OE2 2.92Å; R39-E42 PolarHBondContact O-N 3.12Å; T40-E42 VanDerWaalsContact C-N 3.34Å; T40-E42 PolarHBondContact O-N 3.3Å; E42-Q45 PolarHBondContact O-N 3.39Å; E42-L46 WeakPolarHBondContact O-CB 3.4Å; E42-L46 PolarHBondContact O-N 3.26Å
43I96.9Very high91.9Very high13 Ų1382.1 Ų82.17%0.06741%0.407CS..Hα-helixtrans-60.3-49.1171.1-73.7164000110R39 T40 M41 Q45 L46 L47 L70 H73 L74 L77R39-I43 VanDerWaalsContact O-CG1 3.31Å; R39-I43 WeakPolarHBondContact O-CG1 3.36Å; R39-I43 PolarHBondContact O-N 3.3Å; T40-I43 WeakPolarHBondContact O-CB 3.4Å; T40-I43 PolarHBondContact O-N 3.36Å; M41-I43 VanDerWaalsContact C-N 3.33Å; M41-I43 PolarHBondContact O-N 2.96Å; I43-Q45 VanDerWaalsContact C-N 3.33Å; I43-Q45 PolarHBondContact O-N 2.89Å; I43-L46 WeakPolarHBondContact O-CB 3.28Å; I43-L46 PolarHBondContact O-N 3.38Å; I43-L46 VanDerWaalsContact O-N 3.16Å; I43-L47 HydrophobicContact CG2-CD1 3.85Å; I43-L47 HydrophobicContact CG2-CG 4.34Å; I43-L47 WeakPolarHBondContact O-CG 3.37Å; I43-L47 PolarHBondContact O-N 3.47Å; I43-L70 HydrophobicContact CG1-CD1 4.37Å; I43-L70 HydrophobicContact CG2-CD1 3.76Å; I43-H73 HydrophobicContact CD1-CB 3.97Å; I43-H73 HydrophobicContact CG1-CB 3.6Å; I43-L74 HydrophobicContact CD1-CD2 4.07Å; I43-L77 HydrophobicContact CD1-CD2 4.02Å
44F97Very high90.5Very high133 Ų13383.6 Ų83.658%0.58341%0.413SS*.Hα-helixtrans-64.2-37.5178.6-72.3-51.6000112.7T40 M41 L46 L47 R48T40-F44 HydrophobicContact CG2-CD2 3.86Å; T40-F44 HydrophobicContact CG2-CE2 3.43Å; T40-F44 VanDerWaalsContact CG2-CE2 3.43Å; T40-F44 HydrophobicContact CG2-CZ 4.27Å; T40-F44 VanDerWaalsContact O-CD2 3.25Å; T40-F44 WeakPolarHBondContact O-CD2 3.44Å; T40-F44 PolarHBondContact O-N 3.03Å; M41-F44 PolarHBondContact O-N 3.48Å; F44-L46 VanDerWaalsContact C-N 3.33Å; F44-L47 HydrophobicContact CD1-CD1 4.44Å; F44-L47 PolarHBondContact O-N 2.97Å; F44-R48 VanDerWaalsContact O-CB 3.27Å; F44-R48 WeakPolarHBondContact O-CB 3.35Å; F44-R48 PolarHBondContact O-N 3.21Å
45Q95.1Very high88.8Confident113 Ų11381.6 Ų81.653%0.52842%0.423SS..Hα-helixtrans-62.9-40.7172.9-72.6175.66.300111.8M41 E42 I43 N49M41-Q45 WeakPolarHBondContact O-CG 3.5Å; M41-Q45 PolarHBondContact O-N 2.97Å; E42-Q45 PolarHBondContact O-N 3.39Å; I43-Q45 VanDerWaalsContact C-N 3.33Å; I43-Q45 PolarHBondContact O-N 2.89Å; Q45-N49 PolarHBondContact O-N 2.96Å; Q45-N49 PolarHBondContact O-ND2 3.03Å
46L93.1Very high87.3Confident22 Ų2284.5 Ų84.512%0.11544%0.443CS..Hα-helixtrans-65.5-46.6177.6-175.164.2000111.5E42 I43 F44 N49 M50 R66 K69 L70E42-L46 WeakPolarHBondContact O-CB 3.4Å; E42-L46 PolarHBondContact O-N 3.26Å; I43-L46 WeakPolarHBondContact O-CB 3.28Å; I43-L46 PolarHBondContact O-N 3.38Å; I43-L46 VanDerWaalsContact O-N 3.16Å; F44-L46 VanDerWaalsContact C-N 3.33Å; L46-N49 CarbonylContact O-C 3.58Å; L46-N49 PolarHBondContact O-N 3.29Å; L46-M50 PolarHBondContact O-N 3.2Å; L46-M50 VanDerWaalsContact O-N 3.14Å; L46-R66 HydrophobicContact CD1-CB 4.24Å; L46-R66 HydrophobicContact CD1-CG 4.15Å; L46-K69 HydrophobicContact CD2-CB 3.98Å; L46-L70 HydrophobicContact CD2-CB 3.69Å; L46-L70 HydrophobicContact CD2-CD1 4.34Å
47L92.4Very high85.8Confident78 Ų7887.5 Ų87.541%0.40846%0.462SS..Hα-helixtrans-62.3-43.5177.3-71.3173.9000111.9I43 F44 N49 M50 L70I43-L47 HydrophobicContact CG2-CD1 3.85Å; I43-L47 HydrophobicContact CG2-CG 4.34Å; I43-L47 WeakPolarHBondContact O-CG 3.37Å; I43-L47 PolarHBondContact O-N 3.47Å; F44-L47 HydrophobicContact CD1-CD1 4.44Å; F44-L47 PolarHBondContact O-N 2.97Å; L47-N49 PolarHBondContact O-N 3.32Å; L47-M50 WeakPolarHBondContact O-CB 3.24Å; L47-M50 PolarHBondContact O-N 2.99Å; L47-L70 HydrophobicContact CD2-CD1 4.22Å; L47-L70 HydrophobicContact CD2-CD2 3.76Å; L47-L70 HydrophobicContact CG-CD1 4.3Å
48R90.8Very high84.4Confident219 Ų21988.5 Ų88.583%0.82646%0.459SS*.Hα-helixtrans-56.4-37.5175.6177.5-179.1174.9166.60.9112.2F44 M50F44-R48 VanDerWaalsContact O-CB 3.27Å; F44-R48 WeakPolarHBondContact O-CB 3.35Å; F44-R48 PolarHBondContact O-N 3.21Å; R48-M50 VanDerWaalsContact C-N 3.35Å
49N86.1Confident83.5Confident93 Ų9390 Ų9050%0.49746%0.463SS..THydrogen-bonded Turntrans-91.12.3-178-65.4-37.3000113.1Q45 L46 L47 R66Q45-N49 PolarHBondContact O-N 2.96Å; Q45-N49 PolarHBondContact O-ND2 3.03Å; L46-N49 CarbonylContact O-C 3.58Å; L46-N49 PolarHBondContact O-N 3.29Å; L47-N49 PolarHBondContact O-N 3.32Å; N49-R66 PolarHBondContact O-NH1 3.47Å; N49-R66 VanDerWaalsContact O-NH1 3.08Å
50M84.9Confident82.7Confident39 Ų3991.9 Ų91.919%0.19248%0.479CS..PPolyproline II helixtrans-82.7116.9179.5-156.6171.1-160.800109L46 L47 R48 R66 L67L46-M50 PolarHBondContact O-N 3.2Å; L46-M50 VanDerWaalsContact O-N 3.14Å; L47-M50 WeakPolarHBondContact O-CB 3.24Å; L47-M50 PolarHBondContact O-N 2.99Å; R48-M50 VanDerWaalsContact C-N 3.35Å; M50-R66 HydrophobicContact CE-CB 4.18Å; M50-L67 HydrophobicContact CE-CB 4.04Å; M50-L67 HydrophobicContact CE-CD1 4.26Å
51Q77.4Confident82Confident115 Ų11592.6 Ų92.654%0.53749%0.486SS..PPolyproline II helixtrans-79.6131172.5-68.5-174.812.300109.5T57Q51-T57 PolarHBondContact OE1-OG1 2.84Å
52L73Confident81.5Confident138 Ų13890.8 Ų90.872%0.72348%0.48SS*.PPolyproline II helixtrans-68.9151.7168.6-72.296.4000109.8N54L52-N54 VanDerWaalsContact C-N 3.31Å; L52-N54 PolarHBondContact O-N 3.36Å; L52-N54 PolarHBondContact O-OD1 2.89Å; L52-N54 VanDerWaalsContact O-OD1 3.09Å
53P65.9Low81Confident84 Ų8489.2 Ų89.255%0.54547%0.473SS..  trans-65.490.4173.9-12.326.4000110.1Y58P53-Y58 HydrophobicContact CB-CD2 3.69Å; P53-Y58 HydrophobicContact CB-CE2 3.95Å; P53-Y58 HydrophobicContact CB-CG 4.16Å; P53-Y58 HydrophobicContact CG-CD2 4.01Å; P53-Y58 HydrophobicContact CG-CE2 3.82Å
54N68.1Low80.6Confident98 Ų9895.2 Ų95.252%0.52450%0.5SS..  trans-101.619.3-178.649.9-0.8000112.4L52 V56 T57L52-N54 VanDerWaalsContact C-N 3.31Å; L52-N54 PolarHBondContact O-N 3.36Å; L52-N54 PolarHBondContact O-OD1 2.89Å; L52-N54 VanDerWaalsContact O-OD1 3.09Å; N54-V56 PolarHBondContact O-N 3.21Å; N54-T57 PolarHBondContact OD1-OG1 3.35Å
55G61.7Low80.3Confident74 Ų7494 Ų9476%0.76350%0.5SS*.SBendtrans71.2-14.9170.900000116.6
56V67.2Low80.1Confident132 Ų13292.5 Ų92.580%0.849%0.489SS*.SBendtrans-110.2-30.6-173.8-174.90000113N54N54-V56 PolarHBondContact O-N 3.21Å
57T66.9Low80Confident79 Ų7994.7 Ų94.749%0.48550%0.501SS..SBendtrans-130.717.6-177.958.20000114.1Q51 N54 H59Q51-T57 PolarHBondContact OE1-OG1 2.84Å; N54-T57 PolarHBondContact OD1-OG1 3.35Å; T57-H59 PolarHBondContact O-N 3.45Å
58Y69.3Low80.1Confident100 Ų10092.6 Ų92.639%0.39250%0.499SS..  trans-73.5111.6-177.6-177.9-108.4000111.6P53 P60 H63P53-Y58 HydrophobicContact CB-CD2 3.69Å; P53-Y58 HydrophobicContact CB-CE2 3.95Å; P53-Y58 HydrophobicContact CB-CG 4.16Å; P53-Y58 HydrophobicContact CG-CD2 4.01Å; P53-Y58 HydrophobicContact CG-CE2 3.82Å; Y58-P60 HydrophobicContact CD1-CG 4.04Å; Y58-P60 HydrophobicContact CE1-CB 3.95Å; Y58-P60 HydrophobicContact CE1-CG 3.69Å; Y58-H63 HydrophobicContact CE2-CB 3.76Å; Y58-H63 AromaticContact CE2-CD2 3.88Å; Y58-H63 AromaticContact CE2-CG 3.71Å
59H79.4Confident80.3Confident115 Ų11588.2 Ų88.253%0.53249%0.486SS..  trans-104.1109.2169.2-162.51.8000109.9T57 S61 T62 H63T57-H59 PolarHBondContact O-N 3.45Å; H59-S61 PolarHBondContact CE1-OG 3.06Å; H59-S61 PolarHBondContact ND1-OG 3.08Å; H59-S61 PolarHBondContact NE2-OG 3.38Å; H59-S61 PolarHBondContact O-N 3.13Å; H59-T62 PolarHBondContact O-N 2.89Å; H59-H63 PolarHBondContact O-N 3.33Å; H59-H63 VanDerWaalsContact O-N 3.12Å
60P80.5Confident80.7Confident69 Ų6984.9 Ų84.945%0.44847%0.467SS..Hα-helixtrans-59.2-40.5-170.7-22.828.7000114.3Y58 H63 Q64Y58-P60 HydrophobicContact CD1-CG 4.04Å; Y58-P60 HydrophobicContact CE1-CB 3.95Å; Y58-P60 HydrophobicContact CE1-CG 3.69Å; P60-H63 PolarHBondContact O-N 2.91Å; P60-Q64 WeakPolarHBondContact O-CB 3.5Å; P60-Q64 PolarHBondContact O-N 3.46Å
61S83.6Confident81.3Confident56 Ų5688.8 Ų88.839%0.39249%0.485SS..Hα-helixtrans-62.9-51.1179.347.50000111.9H59 H63 Q64 D65H59-S61 PolarHBondContact CE1-OG 3.06Å; H59-S61 PolarHBondContact ND1-OG 3.08Å; H59-S61 PolarHBondContact NE2-OG 3.38Å; H59-S61 PolarHBondContact O-N 3.13Å; S61-H63 VanDerWaalsContact C-N 3.27Å; S61-H63 PolarHBondContact O-N 3.31Å; S61-Q64 PolarHBondContact O-N 2.74Å; S61-D65 PolarHBondContact O-N 3.5Å
62T85Confident82.2Confident58 Ų5886.7 Ų86.736%0.35648%0.476SS..Hα-helixtrans-60.7-37.1178-53.30000112.2H59 R66H59-T62 PolarHBondContact O-N 2.89Å; T62-R66 VanDerWaalsContact O-CG 3.27Å; T62-R66 WeakPolarHBondContact O-CG 3.4Å; T62-R66 PolarHBondContact O-N 3.27Å
63H85.8Confident83.4Confident45 Ų4581.7 Ų81.721%0.20845%0.448CS..Hα-helixtrans-67.4-45.8176179.9-84.1000111.4Y58 H59 P60 S61 D65 R66 L67Y58-H63 HydrophobicContact CE2-CB 3.76Å; Y58-H63 AromaticContact CE2-CD2 3.88Å; Y58-H63 AromaticContact CE2-CG 3.71Å; H59-H63 PolarHBondContact O-N 3.33Å; H59-H63 VanDerWaalsContact O-N 3.12Å; P60-H63 PolarHBondContact O-N 2.91Å; S61-H63 VanDerWaalsContact C-N 3.27Å; S61-H63 PolarHBondContact O-N 3.31Å; H63-D65 VanDerWaalsContact C-N 3.35Å; H63-D65 PolarHBondContact O-N 3.31Å; H63-R66 PolarHBondContact O-N 2.89Å; H63-L67 WeakPolarHBondContact O-CB 3.42Å; H63-L67 PolarHBondContact O-N 3.22Å
64Q89.1Confident84.9Confident140 Ų14081.5 Ų81.565%0.65444%0.442SS*.Hα-helixtrans-62.8-40.5178.9-166.5174000111.8P60 S61 R66 L67 G68P60-Q64 WeakPolarHBondContact O-CB 3.5Å; P60-Q64 PolarHBondContact O-N 3.46Å; S61-Q64 PolarHBondContact O-N 2.74Å; Q64-R66 PolarHBondContact O-N 2.85Å; Q64-L67 PolarHBondContact O-N 3Å; Q64-G68 PolarHBondContact O-N 3.39Å
65D90.9Very high86.3Confident108 Ų10883.7 Ų83.758%0.57844%0.443SS*.Hα-helixtrans-61.7-43.7174.7-78.4-8.8000112.4S61 H63 G68 K69S61-D65 PolarHBondContact O-N 3.5Å; H63-D65 VanDerWaalsContact C-N 3.35Å; H63-D65 PolarHBondContact O-N 3.31Å; D65-G68 PolarHBondContact O-N 3.03Å; D65-K69 WeakPolarHBondContact O-CG 3.35Å; D65-K69 PolarHBondContact O-N 3.44Å
66R90Very high88Confident80 Ų8083.1 Ų83.130%0.30242%0.422SS..Hα-helixtrans-64.8-41.4176.5-71.9171.7-173.9-930.9111.3L46 N49 M50 T62 H63 Q64 K69 L70L46-R66 HydrophobicContact CD1-CB 4.24Å; L46-R66 HydrophobicContact CD1-CG 4.15Å; N49-R66 PolarHBondContact O-NH1 3.47Å; N49-R66 VanDerWaalsContact O-NH1 3.08Å; M50-R66 HydrophobicContact CE-CB 4.18Å; T62-R66 VanDerWaalsContact O-CG 3.27Å; T62-R66 WeakPolarHBondContact O-CG 3.4Å; T62-R66 PolarHBondContact O-N 3.27Å; H63-R66 PolarHBondContact O-N 2.89Å; Q64-R66 PolarHBondContact O-N 2.85Å; R66-K69 PolarHBondContact O-N 2.89Å; R66-L70 WeakPolarHBondContact O-CB 3.48Å; R66-L70 PolarHBondContact O-N 3.24Å
67L91.3Very high89.5Confident68 Ų6878 Ų7836%0.35639%0.389SS..Hα-helixtrans-63.7-42.8176.6-173.965.4000111.4M50 H63 Q64 L70 Q71M50-L67 HydrophobicContact CE-CB 4.04Å; M50-L67 HydrophobicContact CE-CD1 4.26Å; H63-L67 WeakPolarHBondContact O-CB 3.42Å; H63-L67 PolarHBondContact O-N 3.22Å; Q64-L67 PolarHBondContact O-N 3Å; L67-L70 WeakPolarHBondContact O-CB 3.49Å; L67-L70 PolarHBondContact O-N 2.68Å; L67-Q71 WeakPolarHBondContact O-CG 3.48Å; L67-Q71 PolarHBondContact O-N 3.08Å
68G94.6Very high91Very high35 Ų3577 Ų7736%0.36139%0.386SS..Hα-helixtrans-61.9-45.3175.300000112.5Q64 D65 L70 Q71 E72Q64-G68 PolarHBondContact O-N 3.39Å; D65-G68 PolarHBondContact O-N 3.03Å; G68-L70 VanDerWaalsContact C-N 3.34Å; G68-L70 PolarHBondContact O-N 2.92Å; G68-Q71 PolarHBondContact O-N 3.47Å; G68-E72 PolarHBondContact O-N 2.99Å
69K95.1Very high92.4Very high127 Ų12775.7 Ų75.755%0.55239%0.388SS*.Hα-helixtrans-59.8-43.2174.1-74.4177.4-177.9179.70112.1L46 D65 R66 E72 H73L46-K69 HydrophobicContact CD2-CB 3.98Å; D65-K69 WeakPolarHBondContact O-CG 3.35Å; D65-K69 PolarHBondContact O-N 3.44Å; R66-K69 PolarHBondContact O-N 2.89Å; K69-E72 PolarHBondContact O-N 3.05Å; K69-H73 PolarHBondContact O-CD2 3.01Å; K69-H73 PolarHBondContact O-N 2.83Å
70L95.6Very high93.2Very high22 Ų2271.4 Ų71.412%0.11537%0.369CS..Hα-helixtrans-60-47.6177178.963.7000111.1I43 L46 L47 R66 L67 G68 E72 H73 L74I43-L70 HydrophobicContact CG1-CD1 4.37Å; I43-L70 HydrophobicContact CG2-CD1 3.76Å; L46-L70 HydrophobicContact CD2-CB 3.69Å; L46-L70 HydrophobicContact CD2-CD1 4.34Å; L47-L70 HydrophobicContact CD2-CD1 4.22Å; L47-L70 HydrophobicContact CD2-CD2 3.76Å; L47-L70 HydrophobicContact CG-CD1 4.3Å; R66-L70 WeakPolarHBondContact O-CB 3.48Å; R66-L70 PolarHBondContact O-N 3.24Å; L67-L70 WeakPolarHBondContact O-CB 3.49Å; L67-L70 PolarHBondContact O-N 2.68Å; G68-L70 VanDerWaalsContact C-N 3.34Å; G68-L70 PolarHBondContact O-N 2.92Å; L70-E72 VanDerWaalsContact C-N 3.31Å; L70-E72 PolarHBondContact O-N 3.23Å; L70-H73 PolarHBondContact O-N 2.81Å; L70-L74 HydrophobicContact CD1-CD1 4.45Å; L70-L74 HydrophobicContact CD1-CG 4.49Å; L70-L74 HydrophobicContact CG-CD1 4.18Å; L70-L74 WeakPolarHBondContact O-CG 3.45Å; L70-L74 PolarHBondContact O-N 3.1Å
71Q96.8Very high94.1Very high121 Ų12173.2 Ų73.257%0.56537%0.37SS*.Hα-helixtrans-59.5-42177.6-74.1176.9-8.400111.8L67 G68 L74 R75L67-Q71 WeakPolarHBondContact O-CG 3.48Å; L67-Q71 PolarHBondContact O-N 3.08Å; G68-Q71 PolarHBondContact O-N 3.47Å; Q71-L74 PolarHBondContact O-N 3.32Å; Q71-R75 WeakPolarHBondContact O-CB 3.49Å; Q71-R75 PolarHBondContact O-N 2.81Å
72E97.3Very high94.8Very high72 Ų7279.2 Ų79.234%0.33638%0.384SS..Hα-helixtrans-66.1-41177.2-176.655.7-163.100111.9G68 K69 L70 L74 R75 M76G68-E72 PolarHBondContact O-N 2.99Å; K69-E72 PolarHBondContact O-N 3.05Å; L70-E72 VanDerWaalsContact C-N 3.31Å; L70-E72 PolarHBondContact O-N 3.23Å; E72-L74 VanDerWaalsContact C-N 3.33Å; E72-L74 PolarHBondContact O-N 2.88Å; E72-R75 WeakPolarHBondContact O-CB 3.46Å; E72-R75 PolarHBondContact O-N 3.25Å; E72-R75 IonicContact OE1-CZ 3.9Å; E72-R75 IonicContact OE1-NE 3.19Å; E72-R75 PolarHBondContact OE1-NE 3.22Å; E72-R75 IonicContact OE1-NH2 4Å; E72-R75 PolarHBondContact OE1-NH2 3.49Å; E72-R75 IonicContact OE2-CZ 3.94Å; E72-R75 IonicContact OE2-NE 2.83Å; E72-R75 PolarHBondContact OE2-NE 3.45Å; E72-R75 IonicContact OE2-NH2 3.1Å; E72-M76 HydrophobicContact CG-CE 4.26Å; E72-M76 WeakPolarHBondContact O-CG 3.4Å; E72-M76 PolarHBondContact O-N 2.84Å
73H97.2Very high95.4Very high32 Ų3280.6 Ų80.615%0.14839%0.385CS..Hα-helixtrans-61.3-40.8174.7-63-26.7000112.5R39 I43 K69 L70 M76 L77R39-H73 VanDerWaalsContact NE-CG 3.32Å; R39-H73 PolarHBondContact NE-ND1 3.37Å; R39-H73 PolarHBondContact NH1-CE1 3.05Å; R39-H73 PolarHBondContact NH1-ND1 3.29Å; R39-H73 PolarHBondContact NH2-CD2 2.92Å; R39-H73 PolarHBondContact NH2-CE1 3.33Å; R39-H73 PolarHBondContact NH2-ND1 2.76Å; R39-H73 PolarHBondContact NH2-NE2 3.4Å; I43-H73 HydrophobicContact CD1-CB 3.97Å; I43-H73 HydrophobicContact CG1-CB 3.6Å; K69-H73 PolarHBondContact O-CD2 3.01Å; K69-H73 PolarHBondContact O-N 2.83Å; L70-H73 PolarHBondContact O-N 2.81Å; H73-M76 VanDerWaalsContact ND1-CE 3.29Å; H73-M76 WeakPolarHBondContact ND1-CE 3.37Å; H73-M76 PolarHBondContact O-N 3.24Å; H73-L77 VanDerWaalsContact O-CB 3.26Å; H73-L77 WeakPolarHBondContact O-CB 3.49Å; H73-L77 PolarHBondContact O-N 2.85Å
74L97.9Very high96Very high80 Ų8080.6 Ų80.642%0.41939%0.386SS..Hα-helixtrans-65.7-38175.2-69.6172000112.2I43 L70 Q71 E72 L77 S78I43-L74 HydrophobicContact CD1-CD2 4.07Å; L70-L74 HydrophobicContact CD1-CD1 4.45Å; L70-L74 HydrophobicContact CD1-CG 4.49Å; L70-L74 HydrophobicContact CG-CD1 4.18Å; L70-L74 WeakPolarHBondContact O-CG 3.45Å; L70-L74 PolarHBondContact O-N 3.1Å; Q71-L74 PolarHBondContact O-N 3.32Å; E72-L74 VanDerWaalsContact C-N 3.33Å; E72-L74 PolarHBondContact O-N 2.88Å; L74-L77 PolarHBondContact O-N 2.93Å; L74-S78 PolarHBondContact O-N 3.39Å; L74-S78 PolarHBondContact O-OG 3.35Å
75R98.2Very high96.4Very high144 Ų14481 Ų8154%0.54338%0.382SS..Hα-helixtrans-64-47.8175.2-165.4-172.673.787.55.5111.1Q71 E72 S78 V79Q71-R75 WeakPolarHBondContact O-CB 3.49Å; Q71-R75 PolarHBondContact O-N 2.81Å; E72-R75 WeakPolarHBondContact O-CB 3.46Å; E72-R75 PolarHBondContact O-N 3.25Å; E72-R75 IonicContact OE1-CZ 3.9Å; E72-R75 IonicContact OE1-NE 3.19Å; E72-R75 PolarHBondContact OE1-NE 3.22Å; E72-R75 IonicContact OE1-NH2 4Å; E72-R75 PolarHBondContact OE1-NH2 3.49Å; E72-R75 IonicContact OE2-CZ 3.94Å; E72-R75 IonicContact OE2-NE 2.83Å; E72-R75 PolarHBondContact OE2-NE 3.45Å; E72-R75 IonicContact OE2-NH2 3.1Å; R75-S78 WeakPolarHBondContact O-CB 3.5Å; R75-S78 PolarHBondContact O-N 2.95Å; R75-V79 PolarHBondContact O-N 3.16Å
76M97.2Very high96.6Very high63 Ų6381.8 Ų81.831%0.3139%0.385SS..Hα-helixtrans-61.1-43.9175.7-71.2-168.5-69.100111.8E72 H73 S78 V79 L80E72-M76 HydrophobicContact CG-CE 4.26Å; E72-M76 WeakPolarHBondContact O-CG 3.4Å; E72-M76 PolarHBondContact O-N 2.84Å; H73-M76 VanDerWaalsContact ND1-CE 3.29Å; H73-M76 WeakPolarHBondContact ND1-CE 3.37Å; H73-M76 PolarHBondContact O-N 3.24Å; M76-S78 VanDerWaalsContact C-N 3.27Å; M76-S78 PolarHBondContact O-N 3.34Å; M76-V79 WeakPolarHBondContact O-CB 3.25Å; M76-V79 PolarHBondContact O-N 3.45Å; M76-L80 PolarHBondContact O-N 2.81Å
77L98.1Very high96.9Very high24 Ų2478.5 Ų78.513%0.12637%0.374CS..Hα-helixtrans-58.1-41.2177.2-16968.1000111.5I36 R39 I43 H73 L74 V79 L80 F81I36-L77 HydrophobicContact CB-CD1 4.36Å; I36-L77 HydrophobicContact CG1-CD1 4.38Å; I36-L77 HydrophobicContact CG2-CD1 3.96Å; R39-L77 HydrophobicContact CB-CD1 4.24Å; R39-L77 HydrophobicContact CG-CB 4.4Å; R39-L77 HydrophobicContact CG-CD1 4.27Å; I43-L77 HydrophobicContact CD1-CD2 4.02Å; H73-L77 VanDerWaalsContact O-CB 3.26Å; H73-L77 WeakPolarHBondContact O-CB 3.49Å; H73-L77 PolarHBondContact O-N 2.85Å; L74-L77 PolarHBondContact O-N 2.93Å; L77-V79 VanDerWaalsContact C-N 3.31Å; L77-V79 PolarHBondContact O-N 3.47Å; L77-L80 PolarHBondContact O-N 3.24Å; L77-F81 HydrophobicContact CD1-CE2 4Å; L77-F81 HydrophobicContact CD2-CE2 4.18Å; L77-F81 HydrophobicContact CG-CD2 4.07Å; L77-F81 HydrophobicContact CG-CE2 3.72Å; L77-F81 VanDerWaalsContact O-CD2 3.24Å; L77-F81 WeakPolarHBondContact O-CD2 3.29Å; L77-F81 PolarHBondContact O-N 2.89Å
78S98.1Very high96.9Very high58 Ų5881.4 Ų81.441%0.40638%0.381SS..Hα-helixtrans-61.9-38175.3-58.30000112.6L74 R75 M76 R82L74-S78 PolarHBondContact O-N 3.39Å; L74-S78 PolarHBondContact O-OG 3.35Å; R75-S78 WeakPolarHBondContact O-CB 3.5Å; R75-S78 PolarHBondContact O-N 2.95Å; M76-S78 VanDerWaalsContact C-N 3.27Å; M76-S78 PolarHBondContact O-N 3.34Å; S78-R82 WeakPolarHBondContact O-CG 3.37Å; S78-R82 PolarHBondContact O-N 3Å
79V98.1Very high96.9Very high72 Ų7282.5 Ų82.544%0.43638%0.379SS..Hα-helixtrans-68-42.6175.7175.40000110.9R75 M76 L77 F81 R82 K83R75-V79 PolarHBondContact O-N 3.16Å; M76-V79 WeakPolarHBondContact O-CB 3.25Å; M76-V79 PolarHBondContact O-N 3.45Å; L77-V79 VanDerWaalsContact C-N 3.31Å; L77-V79 PolarHBondContact O-N 3.47Å; V79-F81 VanDerWaalsContact C-N 3.34Å; V79-F81 PolarHBondContact O-N 3.49Å; V79-R82 PolarHBondContact O-N 3.07Å; V79-K83 PolarHBondContact O-N 3.49Å
80L98.1Very high96.7Very high26 Ų2680.5 Ų80.514%0.13637%0.37CS..Hα-helixtrans-60.8-42177.7-70.1170.1000111.9T32 D35 I36 M76 L77 R82 K83 L84T32-L80 HydrophobicContact CG2-CB 4.44Å; T32-L80 HydrophobicContact CG2-CD2 4.18Å; T32-L80 WeakPolarHBondContact CG2-O 3.23Å; D35-L80 HydrophobicContact CB-CD1 3.97Å; D35-L80 HydrophobicContact CB-CD2 3.98Å; I36-L80 HydrophobicContact CD1-CB 4.11Å; I36-L80 HydrophobicContact CG1-CB 3.58Å; I36-L80 HydrophobicContact CG1-CD1 4.05Å; I36-L80 HydrophobicContact CG1-CG 4.39Å; M76-L80 PolarHBondContact O-N 2.81Å; L77-L80 PolarHBondContact O-N 3.24Å; L80-R82 PolarHBondContact O-N 3.29Å; L80-K83 WeakPolarHBondContact O-CB 3.47Å; L80-K83 PolarHBondContact O-N 3.48Å; L80-L84 WeakPolarHBondContact O-CB 3.47Å; L80-L84 PolarHBondContact O-N 3.16Å
81F98.5Very high96.4Very high107 Ų10780.3 Ų80.347%0.46937%0.371SS..Hα-helixtrans-64.3-39.2175.5-80.7-63000113.1I36 L77 V79 L84 R85I36-F81 HydrophobicContact CD1-CD1 3.97Å; I36-F81 HydrophobicContact CD1-CE1 3.98Å; I36-F81 HydrophobicContact CD1-CG 4.43Å; I36-F81 HydrophobicContact CD1-CZ 4.46Å; I36-F81 HydrophobicContact CG2-CE1 4.18Å; I36-F81 HydrophobicContact CG2-CE2 4.32Å; I36-F81 HydrophobicContact CG2-CZ 3.77Å; L77-F81 HydrophobicContact CD1-CE2 4Å; L77-F81 HydrophobicContact CD2-CE2 4.18Å; L77-F81 HydrophobicContact CG-CD2 4.07Å; L77-F81 HydrophobicContact CG-CE2 3.72Å; L77-F81 VanDerWaalsContact O-CD2 3.24Å; L77-F81 WeakPolarHBondContact O-CD2 3.29Å; L77-F81 PolarHBondContact O-N 2.89Å; V79-F81 VanDerWaalsContact C-N 3.34Å; V79-F81 PolarHBondContact O-N 3.49Å; F81-L84 PolarHBondContact O-N 3.49Å; F81-R85 WeakPolarHBondContact O-CB 3.34Å; F81-R85 PolarHBondContact O-N 3.46Å
82R98.4Very high95.9Very high182 Ų18278.9 Ų78.969%0.68737%0.367SS*.Hα-helixtrans-63.8-42.3173.8-69.1174.6-168.41543.4111.6S78 V79 L80 R85 L86S78-R82 WeakPolarHBondContact O-CG 3.37Å; S78-R82 PolarHBondContact O-N 3Å; V79-R82 PolarHBondContact O-N 3.07Å; L80-R82 PolarHBondContact O-N 3.29Å; R82-R85 PolarHBondContact O-N 2.92Å; R82-L86 PolarHBondContact O-N 3.1Å; R82-L86 VanDerWaalsContact O-N 3.1Å
83K97.6Very high95.5Very high87 Ų8780.7 Ų80.738%0.37838%0.375SS..Hα-helixtrans-60.9-48.2174.8-178.2-173.8175.1-161.40110.8T32 V79 L80 R85 L86 V87T32-K83 HydrophobicContact CG2-CB 4.36Å; T32-K83 HydrophobicContact CG2-CD 4.06Å; T32-K83 HydrophobicContact CG2-CG 4.29Å; T32-K83 VanDerWaalsContact OG1-CE 3.31Å; T32-K83 WeakPolarHBondContact OG1-CE 3.23Å; T32-K83 PolarHBondContact OG1-NZ 3.35Å; V79-K83 PolarHBondContact O-N 3.49Å; L80-K83 WeakPolarHBondContact O-CB 3.47Å; L80-K83 PolarHBondContact O-N 3.48Å; K83-R85 VanDerWaalsContact C-N 3.29Å; K83-R85 PolarHBondContact O-N 3.18Å; K83-L86 PolarHBondContact O-N 3.21Å; K83-V87 WeakPolarHBondContact O-CG2 3.24Å; K83-V87 PolarHBondContact O-N 3.4Å
84L97.9Very high94.9Very high44 Ų4482.3 Ų82.323%0.2339%0.385CS..Hα-helixtrans-59.7-41.9179.1-177.261.3000111.3T32 V33 I36 L80 F81 V87 Y88T32-L84 HydrophobicContact CG2-CB 3.93Å; V33-L84 HydrophobicContact CG2-CD1 3.75Å; V33-L84 HydrophobicContact CG2-CD2 3.95Å; I36-L84 HydrophobicContact CD1-CB 4.36Å; I36-L84 HydrophobicContact CD1-CD2 3.81Å; L80-L84 WeakPolarHBondContact O-CB 3.47Å; L80-L84 PolarHBondContact O-N 3.16Å; F81-L84 PolarHBondContact O-N 3.49Å; L84-V87 PolarHBondContact O-N 3.39Å; L84-Y88 WeakPolarHBondContact O-CB 3.28Å; L84-Y88 PolarHBondContact O-N 2.94Å
85R97.3Very high93.7Very high149 Ų14980.4 Ų80.456%0.56238%0.378SS*.Hα-helixtrans-59.7-47.7176.2-175.768.1-156.2-171.23.8111.8F81 R82 K83 V87 Y88 D89F81-R85 WeakPolarHBondContact O-CB 3.34Å; F81-R85 PolarHBondContact O-N 3.46Å; R82-R85 PolarHBondContact O-N 2.92Å; K83-R85 VanDerWaalsContact C-N 3.29Å; K83-R85 PolarHBondContact O-N 3.18Å; R85-V87 VanDerWaalsContact C-N 3.34Å; R85-V87 PolarHBondContact O-N 3.39Å; R85-Y88 WeakPolarHBondContact O-CB 3.43Å; R85-Y88 PolarHBondContact O-N 3.1Å; R85-D89 IonicContact CZ-OD1 3.44Å; R85-D89 IonicContact CZ-OD2 3.65Å; R85-D89 IonicContact NE-OD1 3.04Å; R85-D89 PolarHBondContact NE-OD1 3.4Å; R85-D89 IonicContact NE-OD2 2.88Å; R85-D89 PolarHBondContact NE-OD2 3.16Å; R85-D89 VanDerWaalsContact NE-OD2 3.1Å; R85-D89 IonicContact NH2-OD1 3.31Å; R85-D89 PolarHBondContact NH2-OD1 3.07Å; R85-D89 IonicContact NH2-OD2 2.8Å; R85-D89 VanDerWaalsContact O-CG 3.3Å; R85-D89 PolarHBondContact O-N 3.36Å
86L95.8Very high92.5Very high125 Ų12579.2 Ų79.265%0.65439%0.387SS*.Hα-helixtrans-61.9-42.3178.8-172.4149.1000112R82 K83 K90R82-L86 PolarHBondContact O-N 3.1Å; R82-L86 VanDerWaalsContact O-N 3.1Å; K83-L86 PolarHBondContact O-N 3.21Å; L86-K90 WeakPolarHBondContact O-CB 3.38Å; L86-K90 PolarHBondContact O-N 2.99Å; L86-K90 VanDerWaalsContact O-N 3.08Å
87V95.3Very high91Very high11 Ų1180.2 Ų80.27%0.06741%0.413CS..Hα-helixtrans-62.9-44.5175.4173.70000110.8L25 I28 K83 L84 R85 K90 C91L25-V87 HydrophobicContact CB-CG1 4.45Å; L25-V87 VanDerWaalsContact O-CG1 3.26Å; L25-V87 WeakPolarHBondContact O-CG1 3.39Å; I28-V87 HydrophobicContact CG2-CG2 3.94Å; K83-V87 WeakPolarHBondContact O-CG2 3.24Å; K83-V87 PolarHBondContact O-N 3.4Å; L84-V87 PolarHBondContact O-N 3.39Å; R85-V87 VanDerWaalsContact C-N 3.34Å; R85-V87 PolarHBondContact O-N 3.39Å; V87-K90 PolarHBondContact O-N 3.38Å; V87-C91 WeakPolarHBondContact O-CB 3.36Å; V87-C91 PolarHBondContact O-N 2.89Å
88Y92.9Very high89.5Confident129 Ų12985 Ų8551%0.50644%0.438SS..Hα-helixtrans-60.6-50.6177.8174-92.2000111.7L84 R85 K90 C91 N92L84-Y88 WeakPolarHBondContact O-CB 3.28Å; L84-Y88 PolarHBondContact O-N 2.94Å; R85-Y88 WeakPolarHBondContact O-CB 3.43Å; R85-Y88 PolarHBondContact O-N 3.1Å; Y88-K90 VanDerWaalsContact C-N 3.27Å; Y88-K90 PolarHBondContact O-N 3.02Å; Y88-C91 PolarHBondContact O-N 3.4Å; Y88-N92 HydrophobicContact CE1-CB 4.47Å; Y88-N92 VanDerWaalsContact O-CB 3.24Å; Y88-N92 WeakPolarHBondContact O-CB 3.37Å; Y88-N92 PolarHBondContact O-N 2.87Å
89D93.1Very high87.9Confident57 Ų5789.8 Ų89.831%0.30546%0.459SS..Hα-helixtrans-59.1-42.5-179.2-67.3-32.3000110.1R85 N92 E93R85-D89 IonicContact CZ-OD1 3.44Å; R85-D89 IonicContact CZ-OD2 3.65Å; R85-D89 IonicContact NE-OD1 3.04Å; R85-D89 PolarHBondContact NE-OD1 3.4Å; R85-D89 IonicContact NE-OD2 2.88Å; R85-D89 PolarHBondContact NE-OD2 3.16Å; R85-D89 VanDerWaalsContact NE-OD2 3.1Å; R85-D89 IonicContact NH2-OD1 3.31Å; R85-D89 PolarHBondContact NH2-OD1 3.07Å; R85-D89 IonicContact NH2-OD2 2.8Å; R85-D89 VanDerWaalsContact O-CG 3.3Å; R85-D89 PolarHBondContact O-N 3.36Å; D89-N92 PolarHBondContact O-N 2.82Å; D89-E93 WeakPolarHBondContact O-CG 3.3Å; D89-E93 PolarHBondContact O-N 3.21Å
90K91.8Very high86.3Confident85 Ų8591.7 Ų91.737%0.3747%0.473SS..Hα-helixtrans-68.2-42.9176.9-165.272.9-149.6154.40113.7L25 L86 V87 Y88 N92 E93 N94L25-K90 HydrophobicContact CD1-CB 4.06Å; L25-K90 HydrophobicContact CD1-CG 3.53Å; L25-K90 HydrophobicContact CD2-CG 4.36Å; L86-K90 WeakPolarHBondContact O-CB 3.38Å; L86-K90 PolarHBondContact O-N 2.99Å; L86-K90 VanDerWaalsContact O-N 3.08Å; V87-K90 PolarHBondContact O-N 3.38Å; Y88-K90 VanDerWaalsContact C-N 3.27Å; Y88-K90 PolarHBondContact O-N 3.02Å; K90-N92 VanDerWaalsContact C-N 3.29Å; K90-N92 PolarHBondContact O-N 3.34Å; K90-E93 IonicContact NZ-OE2 3.56Å; K90-E93 PolarHBondContact NZ-OE2 3.41Å; K90-N94 PolarHBondContact O-N 3.04Å; K90-N94 VanDerWaalsContact O-N 3.09Å; K90-N94 PolarHBondContact O-OD1 3.22Å
91C89.3Confident85Confident19 Ų1994.6 Ų94.613%0.12849%0.492CS..Hα-helixtrans-60.2-43.5173.6-84.20000110.9L25 V87 Y88 N94 C95L25-C91 WeakPolarHBondContact CB-SG 3.48Å; V87-C91 WeakPolarHBondContact O-CB 3.36Å; V87-C91 PolarHBondContact O-N 2.89Å; Y88-C91 PolarHBondContact O-N 3.4Å; C91-N94 PolarHBondContact O-N 3.24Å; C91-C95 WeakPolarHBondContact O-CB 3.44Å; C91-C95 PolarHBondContact O-N 3.36Å; C91-C95 PolarHBondContact O-SG 3.23Å
92N86.9Confident83.9Confident90 Ų9092 Ų9248%0.48149%0.485SS..Hα-helixtrans-65.1-44-178.5-170.171.3000111.3Y88 D89 K90 N94 C95 T96Y88-N92 HydrophobicContact CE1-CB 4.47Å; Y88-N92 VanDerWaalsContact O-CB 3.24Å; Y88-N92 WeakPolarHBondContact O-CB 3.37Å; Y88-N92 PolarHBondContact O-N 2.87Å; D89-N92 PolarHBondContact O-N 2.82Å; K90-N92 VanDerWaalsContact C-N 3.29Å; K90-N92 PolarHBondContact O-N 3.34Å; N92-N94 VanDerWaalsContact C-N 3.33Å; N92-N94 PolarHBondContact O-N 2.91Å; N92-C95 CarbonylContact O-C 3.6Å; N92-C95 PolarHBondContact O-N 2.89Å; N92-T96 PolarHBondContact O-N 3.08Å; N92-T96 VanDerWaalsContact O-N 3.12Å; N92-T96 PolarHBondContact O-OG1 2.95Å; N92-T96 VanDerWaalsContact O-OG1 3.12Å
93E87.8Confident82.4Confident111 Ų11187.3 Ų87.352%0.51948%0.479SS..Hα-helixtrans-55.2-46.5171.1-75.9172.8-171.900112D89 K90 C95 T96D89-E93 WeakPolarHBondContact O-CG 3.3Å; D89-E93 PolarHBondContact O-N 3.21Å; K90-E93 IonicContact NZ-OE2 3.56Å; K90-E93 PolarHBondContact NZ-OE2 3.41Å; E93-C95 VanDerWaalsContact C-N 3.3Å; E93-C95 PolarHBondContact O-N 2.99Å; E93-T96 WeakPolarHBondContact CA-OG1 3.49Å; E93-T96 WeakPolarHBondContact O-CB 3.33Å; E93-T96 PolarHBondContact O-N 3.19Å; E93-T96 PolarHBondContact O-OG1 3.25Å
94N83.8Confident81.1Confident65 Ų6589 Ų8935%0.34849%0.488SS..Hα-helixtrans-71-23.5-179-71.89000113.7V20 T22 K90 C91 N92V20-N94 PolarHBondContact O-ND2 3.37Å; T22-N94 HydrophobicContact CG2-CB 4.3Å; T22-N94 WeakPolarHBondContact OG1-CB 3.37Å; T22-N94 PolarHBondContact OG1-ND2 3.27Å; K90-N94 PolarHBondContact O-N 3.04Å; K90-N94 VanDerWaalsContact O-N 3.09Å; K90-N94 PolarHBondContact O-OD1 3.22Å; C91-N94 PolarHBondContact O-N 3.24Å; N92-N94 VanDerWaalsContact C-N 3.33Å; N92-N94 PolarHBondContact O-N 2.91Å
95C74.1Confident79.8Confident41 Ų4193 Ų9328%0.27751%0.505SS..THydrogen-bonded Turntrans-96.44178.7-67.80000113.1C91 N92 E93 G97 L98C91-C95 WeakPolarHBondContact O-CB 3.44Å; C91-C95 PolarHBondContact O-N 3.36Å; C91-C95 PolarHBondContact O-SG 3.23Å; N92-C95 CarbonylContact O-C 3.6Å; N92-C95 PolarHBondContact O-N 2.89Å; E93-C95 VanDerWaalsContact C-N 3.3Å; E93-C95 PolarHBondContact O-N 2.99Å; C95-G97 PolarHBondContact O-N 3.44Å; C95-L98 HydrophobicContact CB-CD1 4.23Å; C95-L98 PolarHBondContact O-N 3.48Å
96T72.2Confident78.5Confident119 Ų11991.9 Ų91.973%0.7351%0.51SS*.THydrogen-bonded Turntrans-58.5108.3178.7-40.70000109.7N92 E93N92-T96 PolarHBondContact O-N 3.08Å; N92-T96 VanDerWaalsContact O-N 3.12Å; N92-T96 PolarHBondContact O-OG1 2.95Å; N92-T96 VanDerWaalsContact O-OG1 3.12Å; E93-T96 WeakPolarHBondContact CA-OG1 3.49Å; E93-T96 WeakPolarHBondContact O-CB 3.33Å; E93-T96 PolarHBondContact O-N 3.19Å; E93-T96 PolarHBondContact O-OG1 3.25Å
97G65.3Low77.3Confident83 Ų8391.3 Ų91.386%0.85651%0.506SS*.THydrogen-bonded Turntrans114.2-5.5-176.700000115.3C95C95-G97 PolarHBondContact O-N 3.44Å
98L67.7Low75.6Confident126 Ų12696.3 Ų96.366%0.6654%0.539SS*.SBendtrans-89.4132165.9-63174.6000109.3C95 P100C95-L98 HydrophobicContact CB-CD1 4.23Å; C95-L98 PolarHBondContact O-N 3.48Å; L98-P100 WeakPolarHBondContact O-CD 3.26Å
99D63.8Low73.7Confident158 Ų15899.8 Ų99.885%0.84555%0.553SS**PPolyproline II helixtrans-63.5123174.5-102.2-31.8000109.4V101D99-V101 PolarHBondContact O-N 3.2Å
100P64Low72.1Confident112 Ų112103.6 Ų103.673%0.72758%0.578SS**PPolyproline II helixtrans-64.2122.3179.123.2-29.7000109.5L98 P102L98-P100 WeakPolarHBondContact O-CD 3.26Å; P100-P102 WeakPolarHBondContact O-CD 3.42Å
101V72.3Confident70.2Confident87 Ų87106.5 Ų106.553%0.52759%0.592SS.*PPolyproline II helixtrans-65125.5170.6177.70000107.9D99 Q105 L106D99-V101 PolarHBondContact O-N 3.2Å; V101-Q105 HydrophobicContact CG1-CB 4.02Å; V101-L106 HydrophobicContact CG1-CD2 4.22Å; V101-L106 HydrophobicContact CG1-CG 4.34Å
102P74.4Confident68.1Low52 Ų52113 Ų11334%0.33863%0.626SS.*PPolyproline II helixtrans-56.8134.7179.5-22.831.1000111P100 E104 Q105P100-P102 WeakPolarHBondContact O-CD 3.42Å; P102-E104 VanDerWaalsContact CB-OE2 3.23Å; P102-E104 WeakPolarHBondContact CB-OE2 3.24Å; P102-E104 PolarHBondContact O-N 2.82Å; P102-E104 VanDerWaalsContact O-N 3.1Å; P102-Q105 HydrophobicContact CB-CG 4.28Å; P102-Q105 HydrophobicContact CG-CG 4.42Å; P102-Q105 WeakPolarHBondContact O-CB 3.29Å; P102-Q105 PolarHBondContact O-N 2.71Å
103P67.1Low65.9Low84 Ų84115.1 Ų115.155%0.54564%0.638SS.*G310 helixtrans-59.2-25.8-177.623.7-32.7000112.7Q105 L106 I107P103-Q105 PolarHBondContact O-N 3.39Å; P103-L106 WeakPolarHBondContact O-CB 3.3Å; P103-L106 PolarHBondContact O-N 3.21Å; P103-I107 PolarHBondContact O-N 3.04Å
104E71.5Confident63.8Low123 Ų123114 Ų11458%0.57564%0.641SS**G310 helixtrans-63.4-25.9175.4-57.974-158.800112.6P102 L106P102-E104 VanDerWaalsContact CB-OE2 3.23Å; P102-E104 WeakPolarHBondContact CB-OE2 3.24Å; P102-E104 PolarHBondContact O-N 2.82Å; P102-E104 VanDerWaalsContact O-N 3.1Å; E104-L106 VanDerWaalsContact C-N 3.35Å
105Q69.3Low62.1Low127 Ų127116.3 Ų116.359%0.59366%0.663SS**G310 helixtrans-83.1-13.7176.5-61.2-178.66.600112.9V101 P102 P103V101-Q105 HydrophobicContact CG1-CB 4.02Å; P102-Q105 HydrophobicContact CB-CG 4.28Å; P102-Q105 HydrophobicContact CG-CG 4.42Å; P102-Q105 WeakPolarHBondContact O-CB 3.29Å; P102-Q105 PolarHBondContact O-N 2.71Å; P103-Q105 PolarHBondContact O-N 3.39Å
106L70.2Confident60.7Low125 Ų125123.1 Ų123.165%0.65469%0.688SS**THydrogen-bonded Turntrans-92.8-12.6179.6-62.1174.2000112.6V101 P103 E104 P108V101-L106 HydrophobicContact CG1-CD2 4.22Å; V101-L106 HydrophobicContact CG1-CG 4.34Å; P103-L106 WeakPolarHBondContact O-CB 3.3Å; P103-L106 PolarHBondContact O-N 3.21Å; E104-L106 VanDerWaalsContact C-N 3.35Å; L106-P108 VanDerWaalsContact O-CD 3.28Å; L106-P108 WeakPolarHBondContact O-CD 3.49Å
107I71.5Confident59.5Low113 Ų113122.7 Ų122.758%0.57968%0.677SS**SBendtrans-74.8117.6173.5-57.5171.9000107.3P103 Y109P103-I107 PolarHBondContact O-N 3.04Å; I107-Y109 PolarHBondContact O-N 2.95Å
108P58.8Low58.5Low116 Ų116126 Ų12675%0.75368%0.676SS**  trans-58.7113172-21.334000109L106 V110L106-P108 VanDerWaalsContact O-CD 3.28Å; L106-P108 WeakPolarHBondContact O-CD 3.49Å; P108-V110 PolarHBondContact O-N 3.24Å
109Y52.7Low57.4Low202 Ų202128 Ų12879%0.79268%0.681SS**  trans-66.6115.5175.3-112.8-95.5000108.3I107 E111I107-Y109 PolarHBondContact O-N 2.95Å; Y109-E111 PolarHBondContact O-N 3.39Å
110V60.5Low56.7Low137 Ų137129.4 Ų129.483%0.8368%0.675SS**  trans-73.9114.2163-169.20000105.1P108 D112P108-V110 PolarHBondContact O-N 3.24Å; V110-D112 PolarHBondContact O-N 3.22Å
111E51.9Low55.8Low146 Ų146128.9 Ų128.968%0.68267%0.666SS**  trans-57131.2-176.2-70.3-166.6134.700111.3Y109Y109-E111 PolarHBondContact O-N 3.39Å
112D45.6Very low54.6Low157 Ų157127 Ų12784%0.8466%0.659SS**  trans-122.4121.1144.2-156.816.6000106.8V110V110-D112 PolarHBondContact O-N 3.22Å
113D39.1Very low53.3Low134 Ų134127.8 Ų127.872%0.71767%0.666SS**  trans64.1100.6175.7-111.3-47.7000121.5
114S44.5Very low52.4Low86 Ų86130.9 Ų130.960%0.60167%0.673SS**  trans9.4122130.4-32.20000116.5
115S48.2Very low51.3Low114 Ų114127.2 Ų127.280%0.79766%0.664SS**SBendtrans135.323.4147.6-55.40000116.6
116K43.5Very low50.4Low185 Ų185129.2 Ų129.280%0.80467%0.666SS**  trans-14524.4168.9-64.1-170.2-178.8178.80115.5D118K116-D118 PolarHBondContact O-N 2.93Å
117H47.4Very low49.6Very low109 Ų109127.4 Ų127.451%0.50566%0.662SS.*  trans-76.5-21.2-164.5-160.7-1.5000115.7E119H117-E119 PolarHBondContact O-N 3.46Å
118D44.3Very low48.8Very low154 Ų154125 Ų12582%0.82466%0.659SS**Hα-helixtrans-75.1-24.7-165.5-122-14.9000115.3K116K116-D118 PolarHBondContact O-N 2.93Å
119E46.1Very low49Very low167 Ų167123 Ų12378%0.7864%0.644SS**Hα-helixtrans-89.7-20.3-174.5-163.11498900113.9H117 S123H117-E119 PolarHBondContact O-N 3.46Å; E119-S123 PolarHBondContact O-OG 3.21Å
120R48Very low49.6Very low187 Ų187117.4 Ų117.471%0.70663%0.625SS**Hα-helixtrans-84.2-32.5-173.9-73.1-178177-171.6-1.7113.9A122 S123R120-A122 PolarHBondContact O-N 2.96Å; R120-S123 PolarHBondContact O-N 2.99Å
121L46Very low49.9Very low102 Ų102117 Ų11753%0.53461%0.614SS.*Hα-helixtrans-65.3-31172.9-69.7173000111.6S123 A125L121-S123 PolarHBondContact O-N 3.27Å; L121-A125 VanDerWaalsContact O-CB 3.24Å; L121-A125 WeakPolarHBondContact O-CB 3.4Å; L121-A125 PolarHBondContact O-N 3.38Å
122A46Very low51Low47 Ų47119.4 Ų119.439%0.38862%0.617SS.*Hα-helixtrans-67.9-17.317700000113.7R120 R126R120-A122 PolarHBondContact O-N 2.96Å; A122-R126 WeakPolarHBondContact O-CD 3.24Å; A122-R126 VanDerWaalsContact O-CG 3.24Å; A122-R126 WeakPolarHBondContact O-CG 3.33Å; A122-R126 PolarHBondContact O-NE 2.88Å
123S47.2Very low52.4Low68 Ų68118.4 Ų118.448%0.47660%0.602SS.*Hα-helixtrans-95.9-37.1-175.5-59.50000113E119 R120 L121 R126 P127E119-S123 PolarHBondContact O-OG 3.21Å; R120-S123 PolarHBondContact O-N 2.99Å; L121-S123 PolarHBondContact O-N 3.27Å; S123-R126 PolarHBondContact O-N 2.9Å; S123-P127 VanDerWaalsContact O-CD 3.29Å; S123-P127 WeakPolarHBondContact O-CD 3.4Å
124Q49Very low54.2Low150 Ų150117.6 Ų117.670%0.70159%0.594SS**Hα-helixtrans-76.1-25.1170.2-74.3-176.110.600112.8R126 P127Q124-R126 VanDerWaalsContact C-N 3.29Å; Q124-R126 PolarHBondContact O-N 3.38Å; Q124-P127 WeakPolarHBondContact O-CD 3.38Å
125A48.2Very low56Low46 Ų46118.4 Ų118.438%0.3859%0.59SS.*Hα-helixtrans-66.6-30.2171.200000112.3L121 A128 T129L121-A125 VanDerWaalsContact O-CB 3.24Å; L121-A125 WeakPolarHBondContact O-CB 3.4Å; L121-A125 PolarHBondContact O-N 3.38Å; A125-A128 PolarHBondContact O-N 3.28Å; A125-T129 WeakPolarHBondContact O-CB 3.26Å; A125-T129 WeakPolarHBondContact O-CG2 3.27Å; A125-T129 PolarHBondContact O-N 3.46Å; A125-T129 PolarHBondContact O-OG1 3.45Å
126R50.1Low57.7Low169 Ų169118.9 Ų118.964%0.63858%0.583SS**Hα-helixtrans-56.9-54-176-80.3168.9-168.3-157.62.5114.8A122 S123 Q124 A128 T129 E130A122-R126 WeakPolarHBondContact O-CD 3.24Å; A122-R126 VanDerWaalsContact O-CG 3.24Å; A122-R126 WeakPolarHBondContact O-CG 3.33Å; A122-R126 PolarHBondContact O-NE 2.88Å; S123-R126 PolarHBondContact O-N 2.9Å; Q124-R126 VanDerWaalsContact C-N 3.29Å; Q124-R126 PolarHBondContact O-N 3.38Å; R126-A128 PolarHBondContact O-N 3.01Å; R126-T129 VanDerWaalsContact CA-OG1 3.23Å; R126-T129 WeakPolarHBondContact CA-OG1 3.21Å; R126-T129 PolarHBondContact O-N 2.88Å; R126-T129 PolarHBondContact O-OG1 3.21Å; R126-E130 WeakPolarHBondContact O-CB 3.28Å; R126-E130 PolarHBondContact O-N 2.92Å
127P53.4Low59.8Low87 Ų87114.4 Ų114.457%0.56557%0.565SS**Hα-helixtrans-64.8-40.1-17923.2-33.1000112.7S123 Q124 T129 E130 E131S123-P127 VanDerWaalsContact O-CD 3.29Å; S123-P127 WeakPolarHBondContact O-CD 3.4Å; Q124-P127 WeakPolarHBondContact O-CD 3.38Å; P127-T129 VanDerWaalsContact C-N 3.35Å; P127-T129 PolarHBondContact O-N 2.9Å; P127-E130 PolarHBondContact O-N 3.32Å; P127-E131 PolarHBondContact O-N 3.04Å; P127-E131 VanDerWaalsContact O-N 3.08Å
128A54.9Low61.8Low63 Ų63113.8 Ų113.852%0.52157%0.569SS.*Hα-helixtrans-68.3-32.9175.800000112.5A125 R126 R132A125-A128 PolarHBondContact O-N 3.28Å; R126-A128 PolarHBondContact O-N 3.01Å; A128-R132 VanDerWaalsContact O-CB 3.3Å; A128-R132 WeakPolarHBondContact O-CB 3.45Å; A128-R132 PolarHBondContact O-N 3.33Å; A128-R132 VanDerWaalsContact O-N 3.16Å
129T62.3Low63.9Low74 Ų74109.8 Ų109.845%0.45455%0.547SS..Hα-helixtrans-72.6-33.3173.451.40000112.9A125 R126 P127 R132 R133A125-T129 WeakPolarHBondContact O-CB 3.26Å; A125-T129 WeakPolarHBondContact O-CG2 3.27Å; A125-T129 PolarHBondContact O-N 3.46Å; A125-T129 PolarHBondContact O-OG1 3.45Å; R126-T129 VanDerWaalsContact CA-OG1 3.23Å; R126-T129 WeakPolarHBondContact CA-OG1 3.21Å; R126-T129 PolarHBondContact O-N 2.88Å; R126-T129 PolarHBondContact O-OG1 3.21Å; P127-T129 VanDerWaalsContact C-N 3.35Å; P127-T129 PolarHBondContact O-N 2.9Å; T129-R132 PolarHBondContact O-N 3.46Å; T129-R133 VanDerWaalsContact O-CB 3.25Å; T129-R133 WeakPolarHBondContact O-CB 3.4Å; T129-R133 PolarHBondContact O-N 2.94Å
130E65.4Low66.1Low84 Ų84108.3 Ų108.339%0.39354%0.538SS..Hα-helixtrans-71.4-44.8178.9-160.762.8-144.300110.5R126 P127 R132 R133 E134R126-E130 WeakPolarHBondContact O-CB 3.28Å; R126-E130 PolarHBondContact O-N 2.92Å; P127-E130 PolarHBondContact O-N 3.32Å; E130-R132 VanDerWaalsContact C-N 3.32Å; E130-R132 PolarHBondContact O-N 2.7Å; E130-R133 WeakPolarHBondContact O-CA 3.4Å; E130-R133 WeakPolarHBondContact O-CB 3.49Å; E130-R133 PolarHBondContact O-N 3.5Å; E130-R133 IonicContact OE1-NH1 3.7Å; E130-R133 IonicContact OE2-NH1 3.92Å; E130-E134 WeakPolarHBondContact O-CG 3.24Å; E130-E134 PolarHBondContact O-N 3.45Å
131E66.4Low68Low128 Ų128105.8 Ų105.860%0.59853%0.532SS*.Hα-helixtrans-58.3-44.8172.3-173.7-177.6-175.700111.4P127 R133 E134 I135P127-E131 PolarHBondContact O-N 3.04Å; P127-E131 VanDerWaalsContact O-N 3.08Å; E131-R133 VanDerWaalsContact C-N 3.27Å; E131-R133 PolarHBondContact O-N 3.18Å; E131-E134 PolarHBondContact O-N 3.48Å; E131-I135 HydrophobicContact CG-CD1 4.16Å; E131-I135 VanDerWaalsContact O-CG1 3.26Å; E131-I135 WeakPolarHBondContact O-CG1 3.4Å; E131-I135 PolarHBondContact O-N 3.23Å
132R74.7Confident70.2Confident197 Ų197105.7 Ų105.774%0.74353%0.532SS*.Hα-helixtrans-63.1-34.1176.2-170.8176.9-177.1-1481.2112.3A128 T129 E130 L136A128-R132 VanDerWaalsContact O-CB 3.3Å; A128-R132 WeakPolarHBondContact O-CB 3.45Å; A128-R132 PolarHBondContact O-N 3.33Å; A128-R132 VanDerWaalsContact O-N 3.16Å; T129-R132 PolarHBondContact O-N 3.46Å; E130-R132 VanDerWaalsContact C-N 3.32Å; E130-R132 PolarHBondContact O-N 2.7Å; R132-L136 WeakPolarHBondContact O-CB 3.28Å; R132-L136 PolarHBondContact O-N 2.8Å; R132-L136 VanDerWaalsContact O-N 3.16Å
133R76.2Confident72.4Confident135 Ų135110 Ų11051%0.50954%0.542SS..Hα-helixtrans-71.4-45.4177-177.6-172.6175.8179.53.6111.2T129 E130 E131 I135 L136 E137T129-R133 VanDerWaalsContact O-CB 3.25Å; T129-R133 WeakPolarHBondContact O-CB 3.4Å; T129-R133 PolarHBondContact O-N 2.94Å; E130-R133 WeakPolarHBondContact O-CA 3.4Å; E130-R133 WeakPolarHBondContact O-CB 3.49Å; E130-R133 PolarHBondContact O-N 3.5Å; E130-R133 IonicContact OE1-NH1 3.7Å; E130-R133 IonicContact OE2-NH1 3.92Å; E131-R133 VanDerWaalsContact C-N 3.27Å; E131-R133 PolarHBondContact O-N 3.18Å; R133-I135 VanDerWaalsContact C-N 3.34Å; R133-I135 PolarHBondContact O-N 3.24Å; R133-L136 WeakPolarHBondContact O-CB 3.31Å; R133-L136 PolarHBondContact O-N 3.4Å; R133-L136 VanDerWaalsContact O-N 3.13Å; R133-E137 IonicContact NE-OE1 3.98Å; R133-E137 PolarHBondContact NE-OE1 2.87Å; R133-E137 IonicContact NH2-OE1 3.79Å; R133-E137 WeakPolarHBondContact O-CG 3.48Å; R133-E137 PolarHBondContact O-N 3.06Å
134E76.7Confident74.6Confident117 Ų117111.9 Ų111.955%0.54754%0.543SS..Hα-helixtrans-59.3-45.1175.9-73.6-176.5-178.800111.3E130 E131 L136 E137 V138E130-E134 WeakPolarHBondContact O-CG 3.24Å; E130-E134 PolarHBondContact O-N 3.45Å; E131-E134 PolarHBondContact O-N 3.48Å; E134-L136 VanDerWaalsContact C-N 3.29Å; E134-L136 PolarHBondContact O-N 3.44Å; E134-E137 PolarHBondContact O-N 2.94Å; E134-V138 WeakPolarHBondContact O-CG2 3.4Å; E134-V138 PolarHBondContact O-N 2.94Å
135I81.9Confident76.8Confident103 Ų103111 Ų11153%0.52854%0.537SS..Hα-helixtrans-58.1-43.3175-68.6167.2000110.8E131 R133 N139E131-I135 HydrophobicContact CG-CD1 4.16Å; E131-I135 VanDerWaalsContact O-CG1 3.26Å; E131-I135 WeakPolarHBondContact O-CG1 3.4Å; E131-I135 PolarHBondContact O-N 3.23Å; R133-I135 VanDerWaalsContact C-N 3.34Å; R133-I135 PolarHBondContact O-N 3.24Å; I135-N139 VanDerWaalsContact O-CB 3.29Å; I135-N139 WeakPolarHBondContact O-CB 3.44Å; I135-N139 PolarHBondContact O-N 3.33Å
136L83.5Confident79Confident125 Ų125113.2 Ų113.265%0.65454%0.543SS*.Hα-helixtrans-66-41.1178.4-174.167.3000112R132 R133 E134 N139 K140R132-L136 WeakPolarHBondContact O-CB 3.28Å; R132-L136 PolarHBondContact O-N 2.8Å; R132-L136 VanDerWaalsContact O-N 3.16Å; R133-L136 WeakPolarHBondContact O-CB 3.31Å; R133-L136 PolarHBondContact O-N 3.4Å; R133-L136 VanDerWaalsContact O-N 3.13Å; E134-L136 VanDerWaalsContact C-N 3.29Å; E134-L136 PolarHBondContact O-N 3.44Å; L136-N139 PolarHBondContact O-N 3.29Å; L136-K140 WeakPolarHBondContact O-CB 3.48Å; L136-K140 PolarHBondContact O-N 2.88Å
137E89Confident81.2Confident90 Ų90111.1 Ų111.142%0.42154%0.54SS..Hα-helixtrans-65.8-43.4177.6-74.5-170.9-171.600112.1R133 E134 K140 K141R133-E137 IonicContact NE-OE1 3.98Å; R133-E137 PolarHBondContact NE-OE1 2.87Å; R133-E137 IonicContact NH2-OE1 3.79Å; R133-E137 WeakPolarHBondContact O-CG 3.48Å; R133-E137 PolarHBondContact O-N 3.06Å; E134-E137 PolarHBondContact O-N 2.94Å; E137-K140 PolarHBondContact O-N 3.44Å; E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 2.95Å
138V88.5Confident83.2Confident97 Ų97111.7 Ų111.759%0.58854%0.535SS*.Hα-helixtrans-61.9-45173.7172.30000110.4E134 K140 K141 L142E134-V138 WeakPolarHBondContact O-CG2 3.4Å; E134-V138 PolarHBondContact O-N 2.94Å; V138-K140 VanDerWaalsContact C-N 3.31Å; V138-K140 PolarHBondContact O-N 3.42Å; V138-K141 PolarHBondContact O-N 3.29Å; V138-L142 WeakPolarHBondContact O-CB 3.36Å; V138-L142 PolarHBondContact O-N 3Å
139N88.1Confident85.1Confident69 Ų69113.6 Ų113.637%0.36954%0.536SS..Hα-helixtrans-62.5-39178.5-156.5-82.2000111.9I135 L136 L142 K143I135-N139 VanDerWaalsContact O-CB 3.29Å; I135-N139 WeakPolarHBondContact O-CB 3.44Å; I135-N139 PolarHBondContact O-N 3.33Å; L136-N139 PolarHBondContact O-N 3.29Å; N139-L142 PolarHBondContact O-N 3.43Å; N139-K143 WeakPolarHBondContact O-CG 3.44Å; N139-K143 PolarHBondContact O-N 3.27Å; N139-K143 VanDerWaalsContact OD1-CE 3.24Å; N139-K143 WeakPolarHBondContact OD1-CE 3.26Å
140K91.9Very high86.6Confident136 Ų136116.4 Ų116.459%0.59154%0.542SS*.Hα-helixtrans-63.6-46.5175.4-173.9179.4179.2-178.60111.7L136 E137 V138 L142 K143 Q144L136-K140 WeakPolarHBondContact O-CB 3.48Å; L136-K140 PolarHBondContact O-N 2.88Å; E137-K140 PolarHBondContact O-N 3.44Å; V138-K140 VanDerWaalsContact C-N 3.31Å; V138-K140 PolarHBondContact O-N 3.42Å; K140-L142 VanDerWaalsContact C-N 3.32Å; K140-L142 PolarHBondContact O-N 2.96Å; K140-K143 PolarHBondContact O-N 3.31Å; K140-Q144 WeakPolarHBondContact O-CG 3.49Å; K140-Q144 PolarHBondContact O-N 3.23Å
141K89.4Confident88.1Confident134 Ų134117.8 Ų117.858%0.58355%0.548SS*.Hα-helixtrans-60.5-42.1175.2-74175-179.6169.40111.3E137 V138 Q144 K145E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 2.95Å; V138-K141 PolarHBondContact O-N 3.29Å; K141-Q144 PolarHBondContact O-N 2.96Å; K141-K145 WeakPolarHBondContact O-CG 3.28Å; K141-K145 PolarHBondContact O-N 3.24Å
142L91.8Very high89.5Confident100 Ų100115.9 Ų115.952%0.52454%0.542SS..Hα-helixtrans-61.6-45.8177.5-164.678000111.6V138 N139 K140 Q144 K145 N146V138-L142 WeakPolarHBondContact O-CB 3.36Å; V138-L142 PolarHBondContact O-N 3Å; N139-L142 PolarHBondContact O-N 3.43Å; K140-L142 VanDerWaalsContact C-N 3.32Å; K140-L142 PolarHBondContact O-N 2.96Å; L142-Q144 PolarHBondContact O-N 3.01Å; L142-K145 PolarHBondContact O-N 3.15Å; L142-N146 PolarHBondContact O-N 3.32Å
143K92.5Very high90.5Very high139 Ų139111 Ų11160%0.60453%0.528SS*.Hα-helixtrans-60.4-43.5175.7-77.1177177.81730112.3N139 K140 N146 Q147N139-K143 WeakPolarHBondContact O-CG 3.44Å; N139-K143 PolarHBondContact O-N 3.27Å; N139-K143 VanDerWaalsContact OD1-CE 3.24Å; N139-K143 WeakPolarHBondContact OD1-CE 3.26Å; K140-K143 PolarHBondContact O-N 3.31Å; K143-N146 PolarHBondContact O-N 3.19Å; K143-Q147 WeakPolarHBondContact O-CB 3.47Å; K143-Q147 PolarHBondContact O-N 3.02Å
144Q93.1Very high91.5Very high107 Ų107107.5 Ų107.550%0.552%0.52SS..Hα-helixtrans-61.5-44.9176-75178.7-15.100111.9K140 K141 L142 Q147 Q148K140-Q144 WeakPolarHBondContact O-CG 3.49Å; K140-Q144 PolarHBondContact O-N 3.23Å; K141-Q144 PolarHBondContact O-N 2.96Å; L142-Q144 PolarHBondContact O-N 3.01Å; Q144-Q147 PolarHBondContact O-N 3.46Å; Q144-Q148 WeakPolarHBondContact O-CG 3.45Å; Q144-Q148 PolarHBondContact O-N 3Å
145K94.1Very high92.3Very high131 Ų131107.8 Ų107.857%0.5752%0.521SS*.Hα-helixtrans-62.4-42.6176.8-72.3-72.2-178.2175.30112.1K141 L142 Q147 Q148 L149K141-K145 WeakPolarHBondContact O-CG 3.28Å; K141-K145 PolarHBondContact O-N 3.24Å; L142-K145 PolarHBondContact O-N 3.15Å; K145-Q147 VanDerWaalsContact C-N 3.31Å; K145-Q147 PolarHBondContact O-N 2.9Å; K145-Q148 PolarHBondContact O-N 3.25Å; K145-L149 WeakPolarHBondContact O-CG 3.4Å; K145-L149 PolarHBondContact O-N 3.45Å
146N95.3Very high93Very high93 Ų93107.5 Ų107.550%0.49752%0.52SS..Hα-helixtrans-62.3-38.3174.5-79.8-18.7000112.4L142 K143 L149 K150L142-N146 PolarHBondContact O-N 3.32Å; K143-N146 PolarHBondContact O-N 3.19Å; N146-L149 PolarHBondContact O-N 3.44Å; N146-K150 WeakPolarHBondContact O-CB 3.46Å; N146-K150 PolarHBondContact O-N 3.16Å
147Q95.1Very high93.6Very high124 Ų124107.9 Ų107.958%0.57951%0.513SS*.Hα-helixtrans-67.3-40.7176.7-169170.59.100112K143 Q144 K145 K150 Q151K143-Q147 WeakPolarHBondContact O-CB 3.47Å; K143-Q147 PolarHBondContact O-N 3.02Å; Q144-Q147 PolarHBondContact O-N 3.46Å; K145-Q147 VanDerWaalsContact C-N 3.31Å; K145-Q147 PolarHBondContact O-N 2.9Å; Q147-K150 PolarHBondContact O-N 2.95Å; Q147-Q151 WeakPolarHBondContact O-CG 3.29Å; Q147-Q151 PolarHBondContact O-N 3.4Å
148Q95.6Very high93.9Very high100 Ų100108.4 Ų108.447%0.46752%0.518SS..Hα-helixtrans-61.1-46.4172.7-72.6179.4-2400111.5Q144 K145 K150 Q151 I152Q144-Q148 WeakPolarHBondContact O-CG 3.45Å; Q144-Q148 PolarHBondContact O-N 3Å; K145-Q148 PolarHBondContact O-N 3.25Å; Q148-K150 VanDerWaalsContact C-N 3.28Å; Q148-K150 PolarHBondContact O-N 3.41Å; Q148-Q151 PolarHBondContact O-N 3.29Å; Q148-I152 WeakPolarHBondContact O-CG1 3.36Å; Q148-I152 PolarHBondContact O-N 2.92Å
149L94.7Very high94.2Very high102 Ų102108.1 Ų108.153%0.53451%0.513SS..Hα-helixtrans-59.4-40.1176.4-73.9173.1000111.8K145 N146 I152 M153K145-L149 WeakPolarHBondContact O-CG 3.4Å; K145-L149 PolarHBondContact O-N 3.45Å; N146-L149 PolarHBondContact O-N 3.44Å; L149-I152 PolarHBondContact O-N 3.3Å; L149-M153 VanDerWaalsContact O-CB 3.28Å; L149-M153 WeakPolarHBondContact O-CB 3.42Å; L149-M153 PolarHBondContact O-N 2.93Å
150K95.1Very high94.5Very high133 Ų133109.4 Ų109.458%0.57852%0.519SS*.Hα-helixtrans-62.5-45.1175.7-171176179.6-179.60111.9N146 Q147 Q148 I152 M153 D154N146-K150 WeakPolarHBondContact O-CB 3.46Å; N146-K150 PolarHBondContact O-N 3.16Å; Q147-K150 PolarHBondContact O-N 2.95Å; Q148-K150 VanDerWaalsContact C-N 3.28Å; Q148-K150 PolarHBondContact O-N 3.41Å; K150-I152 PolarHBondContact O-N 3.4Å; K150-M153 WeakPolarHBondContact O-CB 3.34Å; K150-M153 PolarHBondContact O-N 2.92Å; K150-D154 VanDerWaalsContact O-CG 3.28Å; K150-D154 PolarHBondContact O-N 3.38Å
151Q96.1Very high94.6Very high113 Ų113111.5 Ų111.553%0.52852%0.523SS..Hα-helixtrans-60.8-44.9176.5-73.9175.2-10.200112.2Q147 Q148 M153 D154 Q155Q147-Q151 WeakPolarHBondContact O-CG 3.29Å; Q147-Q151 PolarHBondContact O-N 3.4Å; Q148-Q151 PolarHBondContact O-N 3.29Å; Q151-M153 VanDerWaalsContact C-N 3.31Å; Q151-M153 PolarHBondContact O-N 2.88Å; Q151-D154 PolarHBondContact O-N 3.16Å; Q151-Q155 WeakPolarHBondContact O-CG 3.29Å; Q151-Q155 PolarHBondContact O-N 3.04Å
152I96.1Very high94.9Very high89 Ų89110.5 Ų110.546%0.45652%0.52SS..Hα-helixtrans-61.6-44.2176.5-66.5166.6000110.1Q148 L149 K150 D154 Q155 L156Q148-I152 WeakPolarHBondContact O-CG1 3.36Å; Q148-I152 PolarHBondContact O-N 2.92Å; L149-I152 PolarHBondContact O-N 3.3Å; K150-I152 PolarHBondContact O-N 3.4Å; I152-D154 VanDerWaalsContact C-N 3.3Å; I152-D154 PolarHBondContact O-N 2.86Å; I152-Q155 PolarHBondContact O-N 2.85Å; I152-L156 HydrophobicContact CG2-CD1 4.01Å; I152-L156 HydrophobicContact CG2-CG 4.37Å; I152-L156 WeakPolarHBondContact O-CB 3.31Å; I152-L156 VanDerWaalsContact O-CG 3.31Å; I152-L156 WeakPolarHBondContact O-CG 3.25Å; I152-L156 PolarHBondContact O-N 2.77Å
153M96.2Very high95Very high94 Ų94110.2 Ų110.246%0.46352%0.519SS..Hα-helixtrans-60.7-40.6178.5-166-170.5-67.300111.8L149 K150 Q151 L156 R157L149-M153 VanDerWaalsContact O-CB 3.28Å; L149-M153 WeakPolarHBondContact O-CB 3.42Å; L149-M153 PolarHBondContact O-N 2.93Å; K150-M153 WeakPolarHBondContact O-CB 3.34Å; K150-M153 PolarHBondContact O-N 2.92Å; Q151-M153 VanDerWaalsContact C-N 3.31Å; Q151-M153 PolarHBondContact O-N 2.88Å; M153-L156 PolarHBondContact O-N 2.96Å; M153-R157 VanDerWaalsContact CG-NH1 3.27Å; M153-R157 WeakPolarHBondContact O-CG 3.41Å; M153-R157 PolarHBondContact O-N 3.07Å; M153-R157 PolarHBondContact SD-NH1 3.42Å; M153-R157 PolarHBondContact SD-NH2 3.08Å
154D95.9Very high94.9Very high62 Ų62108.1 Ų108.133%0.33251%0.514SS..Hα-helixtrans-72.2-37.5178.4-66.4-23.1000111.9K150 Q151 I152 R157 N158K150-D154 VanDerWaalsContact O-CG 3.28Å; K150-D154 PolarHBondContact O-N 3.38Å; Q151-D154 PolarHBondContact O-N 3.16Å; I152-D154 VanDerWaalsContact C-N 3.3Å; I152-D154 PolarHBondContact O-N 2.86Å; D154-R157 PolarHBondContact O-N 3.25Å; D154-R157 IonicContact OD1-CZ 3.35Å; D154-R157 IonicContact OD1-NH1 2.78Å; D154-R157 PolarHBondContact OD1-NH1 3.47Å; D154-N158 VanDerWaalsContact O-CG 3.32Å; D154-N158 PolarHBondContact O-N 3.16Å
155Q95.4Very high94.9Very high123 Ų123105 Ų10558%0.57550%0.504SS*.Hα-helixtrans-60.9-45.2170.8-74.2175.3-10.200111.7Q151 I152 R157 N158 L159Q151-Q155 WeakPolarHBondContact O-CG 3.29Å; Q151-Q155 PolarHBondContact O-N 3.04Å; I152-Q155 PolarHBondContact O-N 2.85Å; Q155-R157 VanDerWaalsContact C-N 3.34Å; Q155-R157 PolarHBondContact O-N 2.88Å; Q155-N158 PolarHBondContact O-N 2.9Å; Q155-L159 WeakPolarHBondContact O-CG 3.46Å; Q155-L159 PolarHBondContact O-N 3.42Å
156L95.8Very high94.6Very high96 Ų96104.1 Ų104.150%0.50350%0.503SS..Hα-helixtrans-62.5-40.9176.4-71.9173.2000111.5I152 M153 L159 I160I152-L156 HydrophobicContact CG2-CD1 4.01Å; I152-L156 HydrophobicContact CG2-CG 4.37Å; I152-L156 WeakPolarHBondContact O-CB 3.31Å; I152-L156 VanDerWaalsContact O-CG 3.31Å; I152-L156 WeakPolarHBondContact O-CG 3.25Å; I152-L156 PolarHBondContact O-N 2.77Å; M153-L156 PolarHBondContact O-N 2.96Å; L156-L159 PolarHBondContact O-N 2.89Å; L156-I160 WeakPolarHBondContact O-CB 3.2Å; L156-I160 WeakPolarHBondContact O-CD1 3.48Å; L156-I160 WeakPolarHBondContact O-CG1 3.46Å; L156-I160 PolarHBondContact O-N 3.48Å
157R95.6Very high94.1Very high134 Ų134105 Ų10551%0.50651%0.507SS..Hα-helixtrans-60.1-45.4174.1-77.3179.9-177.11087.8112.1M153 D154 Q155 I160 W161M153-R157 VanDerWaalsContact CG-NH1 3.27Å; M153-R157 WeakPolarHBondContact O-CG 3.41Å; M153-R157 PolarHBondContact O-N 3.07Å; M153-R157 PolarHBondContact SD-NH1 3.42Å; M153-R157 PolarHBondContact SD-NH2 3.08Å; D154-R157 PolarHBondContact O-N 3.25Å; D154-R157 IonicContact OD1-CZ 3.35Å; D154-R157 IonicContact OD1-NH1 2.78Å; D154-R157 PolarHBondContact OD1-NH1 3.47Å; Q155-R157 VanDerWaalsContact C-N 3.34Å; Q155-R157 PolarHBondContact O-N 2.88Å; R157-I160 PolarHBondContact O-N 2.93Å; R157-W161 WeakPolarHBondContact O-CB 3.43Å; R157-W161 PolarHBondContact O-N 2.89Å
158N95.6Very high93.4Very high100 Ų100102 Ų10254%0.53550%0.504SS..Hα-helixtrans-64-44179-70.9-16.5000111.3D154 Q155 I160 W161 E162D154-N158 VanDerWaalsContact O-CG 3.32Å; D154-N158 PolarHBondContact O-N 3.16Å; Q155-N158 PolarHBondContact O-N 2.9Å; N158-I160 PolarHBondContact O-N 3.5Å; N158-W161 CarbonylContact O-C 3.6Å; N158-W161 WeakPolarHBondContact O-CB 3.42Å; N158-W161 PolarHBondContact O-N 3.43Å; N158-W161 VanDerWaalsContact O-N 3.14Å; N158-E162 WeakPolarHBondContact O-CG 3.35Å; N158-E162 PolarHBondContact O-N 2.95Å
159L95.4Very high92.4Very high91 Ų91103.2 Ų103.248%0.47652%0.518SS..Hα-helixtrans-61-44.5176.3-73.6172.7000112Q155 L156 W161 E162 I163Q155-L159 WeakPolarHBondContact O-CG 3.46Å; Q155-L159 PolarHBondContact O-N 3.42Å; L156-L159 PolarHBondContact O-N 2.89Å; L159-W161 VanDerWaalsContact C-N 3.27Å; L159-W161 PolarHBondContact O-N 3.46Å; L159-E162 PolarHBondContact O-N 3.28Å; L159-I163 WeakPolarHBondContact O-CB 3.48Å; L159-I163 WeakPolarHBondContact O-CD1 3.34Å; L159-I163 WeakPolarHBondContact O-CG1 3.35Å; L159-I163 PolarHBondContact O-N 3.19Å
160I94.3Very high90.8Very high97 Ų97108.2 Ų108.250%0.49753%0.53SS..Hα-helixtrans-59.8-42.8175-68.9164.1000110.2L156 R157 N158 I163 N164L156-I160 WeakPolarHBondContact O-CB 3.2Å; L156-I160 WeakPolarHBondContact O-CD1 3.48Å; L156-I160 WeakPolarHBondContact O-CG1 3.46Å; L156-I160 PolarHBondContact O-N 3.48Å; R157-I160 PolarHBondContact O-N 2.93Å; N158-I160 PolarHBondContact O-N 3.5Å; I160-I163 PolarHBondContact O-N 3.09Å; I160-N164 WeakPolarHBondContact O-CB 3.47Å; I160-N164 PolarHBondContact O-N 3.14Å; I160-N164 PolarHBondContact O-ND2 2.97Å
161W94.3Very high88.7Confident180 Ų180108.8 Ų108.868%0.68255%0.55SS**Hα-helixtrans-65.9-41.8179-17082.1000112.9R157 N158 L159 N164 S165R157-W161 WeakPolarHBondContact O-CB 3.43Å; R157-W161 PolarHBondContact O-N 2.89Å; N158-W161 CarbonylContact O-C 3.6Å; N158-W161 WeakPolarHBondContact O-CB 3.42Å; N158-W161 PolarHBondContact O-N 3.43Å; N158-W161 VanDerWaalsContact O-N 3.14Å; L159-W161 VanDerWaalsContact C-N 3.27Å; L159-W161 PolarHBondContact O-N 3.46Å; W161-N164 PolarHBondContact O-N 3.08Å; W161-S165 VanDerWaalsContact O-CB 3.28Å; W161-S165 WeakPolarHBondContact O-CB 3.41Å; W161-S165 PolarHBondContact O-N 3.23Å; W161-S165 PolarHBondContact O-OG 3.18Å
162E94.5Very high88.4Confident112 Ų112108.6 Ų108.652%0.52355%0.551SS.*Hα-helixtrans-62.7-44.6174.3-74.9178.4178.300111.6N158 L159 S165 M166N158-E162 WeakPolarHBondContact O-CG 3.35Å; N158-E162 PolarHBondContact O-N 2.95Å; L159-E162 PolarHBondContact O-N 3.28Å; E162-S165 PolarHBondContact O-N 3.23Å; E162-M166 VanDerWaalsContact O-CB 3.3Å; E162-M166 WeakPolarHBondContact O-CB 3.33Å; E162-M166 PolarHBondContact O-N 3.35Å
163I94Very high88Confident95 Ų95109.6 Ų109.649%0.48756%0.556SS.*Hα-helixtrans-62-49.7176.7-69.3165.4000110.2L159 I160 S165 M166 L167L159-I163 WeakPolarHBondContact O-CB 3.48Å; L159-I163 WeakPolarHBondContact O-CD1 3.34Å; L159-I163 WeakPolarHBondContact O-CG1 3.35Å; L159-I163 PolarHBondContact O-N 3.19Å; I160-I163 PolarHBondContact O-N 3.09Å; I163-S165 VanDerWaalsContact C-N 3.33Å; I163-S165 PolarHBondContact O-N 2.8Å; I163-M166 PolarHBondContact O-N 3.31Å; I163-L167 HydrophobicContact CG2-CD1 3.81Å; I163-L167 HydrophobicContact CG2-CG 4.32Å; I163-L167 WeakPolarHBondContact O-CB 3.27Å; I163-L167 VanDerWaalsContact O-CG 3.3Å; I163-L167 WeakPolarHBondContact O-CG 3.38Å; I163-L167 PolarHBondContact O-N 3.31Å
164N91.3Very high87.5Confident95 Ų95110.4 Ų110.451%0.50856%0.562SS.*Hα-helixtrans-61.7-41.8179.9-73-15.7000111.7I160 W161 L167 A168I160-N164 WeakPolarHBondContact O-CB 3.47Å; I160-N164 PolarHBondContact O-N 3.14Å; I160-N164 PolarHBondContact O-ND2 2.97Å; W161-N164 PolarHBondContact O-N 3.08Å; N164-L167 PolarHBondContact O-N 3.43Å; N164-A168 WeakPolarHBondContact O-CB 3.38Å; N164-A168 PolarHBondContact O-N 2.93Å
165S91.8Very high87Confident41 Ų41113.3 Ų113.329%0.28758%0.575SS.*Hα-helixtrans-62.4-44.9174.4-620000111.9W161 E162 I163 A168 V169W161-S165 VanDerWaalsContact O-CB 3.28Å; W161-S165 WeakPolarHBondContact O-CB 3.41Å; W161-S165 PolarHBondContact O-N 3.23Å; W161-S165 PolarHBondContact O-OG 3.18Å; E162-S165 PolarHBondContact O-N 3.23Å; I163-S165 VanDerWaalsContact C-N 3.33Å; I163-S165 PolarHBondContact O-N 2.8Å; S165-A168 PolarHBondContact O-N 3.41Å; S165-V169 WeakPolarHBondContact O-CG2 3.35Å; S165-V169 PolarHBondContact O-N 3.12Å
166M89.3Confident86.5Confident113 Ų113112.7 Ų112.756%0.55758%0.575SS**Hα-helixtrans-66.8-37.4179.6-171.2-175.4-58.600112.5E162 I163E162-M166 VanDerWaalsContact O-CB 3.3Å; E162-M166 WeakPolarHBondContact O-CB 3.33Å; E162-M166 PolarHBondContact O-N 3.35Å; I163-M166 PolarHBondContact O-N 3.31Å
167L85.3Confident85.9Confident110 Ų110113.8 Ų113.858%0.57658%0.58SS**Hα-helixtrans-67.3-41.6175.6-71.8173.2000111.5I163 N164 V169 R170 S171I163-L167 HydrophobicContact CG2-CD1 3.81Å; I163-L167 HydrophobicContact CG2-CG 4.32Å; I163-L167 WeakPolarHBondContact O-CB 3.27Å; I163-L167 VanDerWaalsContact O-CG 3.3Å; I163-L167 WeakPolarHBondContact O-CG 3.38Å; I163-L167 PolarHBondContact O-N 3.31Å; N164-L167 PolarHBondContact O-N 3.43Å; L167-V169 VanDerWaalsContact C-N 3.3Å; L167-V169 PolarHBondContact O-N 3.04Å; L167-R170 PolarHBondContact O-N 3.25Å; L167-S171 PolarHBondContact O-N 3.22Å; L167-S171 PolarHBondContact O-OG 3.4Å
168A78.4Confident85.2Confident62 Ų62112.4 Ų112.451%0.51259%0.585SS.*Hα-helixtrans-66.8-25.9179.600000114.1N164 S165 R170 S171N164-A168 WeakPolarHBondContact O-CB 3.38Å; N164-A168 PolarHBondContact O-N 2.93Å; S165-A168 PolarHBondContact O-N 3.41Å; A168-R170 VanDerWaalsContact C-N 3.35Å; A168-S171 WeakPolarHBondContact CA-OG 3.27Å; A168-S171 PolarHBondContact O-OG 2.93Å
169V75.7Confident84.4Confident126 Ų126113.3 Ų113.376%0.76459%0.589SS**THydrogen-bonded Turntrans-81.8-15.8176.9176.90000112.2S165 L167S165-V169 WeakPolarHBondContact O-CG2 3.35Å; S165-V169 PolarHBondContact O-N 3.12Å; L167-V169 VanDerWaalsContact C-N 3.3Å; L167-V169 PolarHBondContact O-N 3.04Å
170R61.3Low83.5Confident207 Ų207115.2 Ų115.278%0.78160%0.598SS**  trans-98-4178.7-70.8-178.5174.2-1670.1113.8L167 A168L167-R170 PolarHBondContact O-N 3.25Å; A168-R170 VanDerWaalsContact C-N 3.35Å
171S51.4Low82.5Confident144 Ų144116.8 Ų116.8100%1.00761%0.608SS**  trans-103.60173.849.30000110.8L167 A168L167-S171 PolarHBondContact O-N 3.22Å; L167-S171 PolarHBondContact O-OG 3.4Å; A168-S171 WeakPolarHBondContact CA-OG 3.27Å; A168-S171 PolarHBondContact O-OG 2.93Å

Retrieved 171 of 171 residues in 29.9 ms (Link to these results)