A0A087XU18_POEFO Loading...

Small ribosomal subunit protein uS4

Component of the small ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell. Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB , UniProt , Accession A0A087XU18, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 195 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
1M48.2Very low70.7Confident228 Ų228160.5 Ų160.5100%1.12383%0.825SS**  0124.40-67.5-162.3165.200109.2V3M1-V3 PolarHBondContact O-N 3.3Å
2P56.2Low72.4Confident135 Ų135152.7 Ų152.788%0.87779%0.79SS**  trans-73.4117176.227.6-28.9000109.7A4P2-A4 PolarHBondContact O-N 2.82Å
3V53.8Low74Confident137 Ų137146.5 Ų146.583%0.8375%0.752SS**  trans-64.3121.3176.8-157.40000108.3M1 R5M1-V3 PolarHBondContact O-N 3.3Å; V3-R5 PolarHBondContact O-N 3.01Å
4A58.4Low75.4Confident93 Ų93142.2 Ų142.277%0.76974%0.735SS**  trans-59.2105175.200000109.3P2 S6P2-A4 PolarHBondContact O-N 2.82Å; A4-S6 VanDerWaalsContact C-N 3.35Å; A4-S6 PolarHBondContact O-N 3.15Å
5R60.8Low76.5Confident220 Ų220138.4 Ų138.483%0.8372%0.721SS**  trans-62.498.9166-84178.7151.6-161.2-3.8107.4V3 W7V3-R5 PolarHBondContact O-N 3.01Å; R5-W7 VanDerWaalsContact O-CD1 3.23Å; R5-W7 PolarHBondContact O-N 3.23Å; R5-W7 VanDerWaalsContact O-N 3.16Å
6S68Low77.6Confident103 Ų103132.1 Ų132.172%0.7269%0.691SS**  trans-64.5116.1171.156.10000108.5A4 V8A4-S6 VanDerWaalsContact C-N 3.35Å; A4-S6 PolarHBondContact O-N 3.15Å; S6-V8 PolarHBondContact O-N 3.2Å; S6-V8 VanDerWaalsContact O-N 3.15Å
7W75.3Confident78.4Confident225 Ų225139.2 Ų139.285%0.85271%0.706SS**  trans-74.2106178.4-66.379.8000108.7R5 C9R5-W7 VanDerWaalsContact O-CD1 3.23Å; R5-W7 PolarHBondContact O-N 3.23Å; R5-W7 VanDerWaalsContact O-N 3.16Å; W7-C9 PolarHBondContact O-N 3.44Å; W7-C9 VanDerWaalsContact O-N 3.08Å
8V84.7Confident79.1Confident119 Ų119141.7 Ų141.772%0.72171%0.706SS**  trans-75.299.3177.4-177.70000109.8S6S6-V8 PolarHBondContact O-N 3.2Å; S6-V8 VanDerWaalsContact O-N 3.15Å
9C88.5Confident79.7Confident117 Ų117138.6 Ų138.679%0.79170%0.697SS**  trans-97.1136.9175.5-720000111.5W7W7-C9 PolarHBondContact O-N 3.44Å; W7-C9 VanDerWaalsContact O-N 3.08Å
10R91.2Very high80.4Confident218 Ų218141.3 Ų141.382%0.82370%0.704SS**  trans-127.4142.5177.3-67.6-176.2178.5-161.6-1.7112.1
11K92.3Very high81Confident171 Ų171138.1 Ų138.174%0.74369%0.687SS**  trans-70.1142.3175.2-67.6-177.3-179.6176.30111.1F49K11-F49 WeakPolarHBondContact O-CE1 3.4Å
12T91.5Very high83.2Confident66 Ų66135.1 Ų135.141%0.40567%0.668SS.*  trans-108.61.6-178.154.90000113.7R46 F49T12-R46 WeakPolarHBondContact O-CG 3.2Å; T12-F49 VanDerWaalsContact C-CD1 3.44Å; T12-F49 WeakPolarHBondContact O-CD1 3.2Å
13Y93.6Very high84.9Confident73 Ų73131.7 Ų131.729%0.28665%0.648SS.*  trans-148.4158.9179.668.7-77.6000110T15 R42 W45Y13-T15 HydrophobicContact CE2-CG2 4.27Å; Y13-R42 HydrophobicContact CD1-CG 4.32Å; Y13-R42 HydrophobicContact CD2-CG 4.29Å; Y13-R42 VanDerWaalsContact CE1-NH2 3.29Å; Y13-R42 HydrophobicContact CG-CG 4.16Å; Y13-W45 HydrophobicContact CD2-CE3 4.26Å
14V93.3Very high86.8Confident86 Ų86126.5 Ų126.552%0.52161%0.613SS.*  trans-129.9140.3171.5171.80000107.8F49V14-F49 HydrophobicContact CB-CD2 4.02Å; V14-F49 HydrophobicContact CB-CE2 4.41Å; V14-F49 HydrophobicContact CG2-CD2 3.38Å; V14-F49 HydrophobicContact CG2-CE2 3.31Å; V14-F49 HydrophobicContact CG2-CG 4.25Å; V14-F49 HydrophobicContact CG2-CZ 4.1Å
15T92.3Very high88.3Confident85 Ų85124.4 Ų124.452%0.52159%0.588SS.*  trans-81.3150178.246.60000111Y13 W45Y13-T15 HydrophobicContact CE2-CG2 4.27Å; T15-W45 HydrophobicContact CG2-CE3 4.14Å; T15-W45 HydrophobicContact CG2-CH2 4.47Å; T15-W45 HydrophobicContact CG2-CZ3 3.83Å
16P92.9Very high89.8Confident37 Ų37118 Ų11824%0.2457%0.571CS.*  trans-61.3147.4174.926.7-34.4000110.9W45P16-W45 HydrophobicContact CG-CZ2 4.07Å
17R91.1Very high90.8Very high253 Ų253119 Ų11996%0.95556%0.564SS**SBendtrans-66-43.6177.6-73.3-175.5169.9-171.2-3.7112.2P19R17-P19 WeakPolarHBondContact O-CD 3.47Å
18R92.1Very high91.5Very high184 Ų184108.3 Ų108.369%0.69452%0.523SS*.SBendtrans-101.6112.1178.9-70.4-175.6175.7173.3-2.4110.4R24R18-R24 PolarHBondContact O-NH2 2.91Å
19P91.1Very high91.7Very high84 Ų84107.4 Ų107.455%0.54551%0.514SS..SBendtrans-66.4-39-176-25.335.9000114.7R17 R24R17-P19 WeakPolarHBondContact O-CD 3.47Å; P19-R24 PolarHBondContact O-NH2 2.8Å
20F92Very high91.7Very high191 Ų191108.2 Ų108.284%0.83850%0.504SS*.  trans-116.986.7-173.4-54.1-66.6000110.9
21E94.1Very high91.4Very high75 Ų7598.4 Ų98.435%0.3547%0.468SS..  trans-130112.3177.1-179.4174.2-158.700107.7S23 R24 L25E21-S23 PolarHBondContact O-N 2.98Å; E21-R24 HydrophobicContact CB-CB 4.19Å; E21-R24 HydrophobicContact CG-CB 4.19Å; E21-R24 PolarHBondContact O-N 3.35Å; E21-L25 VanDerWaalsContact O-CG 3.29Å; E21-L25 WeakPolarHBondContact O-CG 3.44Å; E21-L25 PolarHBondContact O-N 3.23Å
22K93.9Very high90.8Very high166 Ų16691.2 Ų91.272%0.72244%0.438SS*.Hα-helixtrans-56.4-51.2-170.3-176.2177.4177.6-176.40111.9R24 L25 D26K22-R24 VanDerWaalsContact C-N 3.33Å; K22-R24 PolarHBondContact O-N 3.12Å; K22-L25 PolarHBondContact O-N 3.31Å; K22-L25 VanDerWaalsContact O-N 3.08Å; K22-D26 WeakPolarHBondContact CG-OD2 3.33Å; K22-D26 VanDerWaalsContact O-CG 3.23Å; K22-D26 PolarHBondContact O-N 2.87Å
23S92.8Very high89.5Confident63 Ų6390.9 Ų90.944%0.44144%0.442SS..Hα-helixtrans-54.7-44.7178.9560000113E21 Q27E21-S23 PolarHBondContact O-N 2.98Å; S23-Q27 WeakPolarHBondContact O-CB 3.36Å; S23-Q27 VanDerWaalsContact O-CG 3.24Å; S23-Q27 WeakPolarHBondContact O-CG 3.12Å; S23-Q27 PolarHBondContact O-N 2.94Å
24R92.6Very high88.4Confident28 Ų2889.9 Ų89.911%0.10645%0.454CS..Hα-helixtrans-68-41.6177.5-175.2-176.56069.53.6111.8R18 P19 E21 K22 D26 E28R18-R24 PolarHBondContact O-NH2 2.91Å; P19-R24 PolarHBondContact O-NH2 2.8Å; E21-R24 HydrophobicContact CB-CB 4.19Å; E21-R24 HydrophobicContact CG-CB 4.19Å; E21-R24 PolarHBondContact O-N 3.35Å; K22-R24 VanDerWaalsContact C-N 3.33Å; K22-R24 PolarHBondContact O-N 3.12Å; R24-D26 VanDerWaalsContact C-N 3.34Å; R24-E28 HydrophobicContact CG-CG 4.44Å; R24-E28 IonicContact NH1-OE1 3.07Å; R24-E28 PolarHBondContact NH1-OE1 2.93Å; R24-E28 IonicContact NH1-OE2 2.95Å; R24-E28 PolarHBondContact NH1-OE2 3.33Å; R24-E28 WeakPolarHBondContact O-CB 3.07Å; R24-E28 VanDerWaalsContact O-CG 3.31Å; R24-E28 WeakPolarHBondContact O-CG 3.34Å; R24-E28 PolarHBondContact O-N 3.21Å
25L90.7Very high87.8Confident48 Ų4889.8 Ų89.825%0.25145%0.447SS..Hα-helixtrans-63.5-42.5179.4-70.3171.3000111E21 K22 E28 L29E21-L25 VanDerWaalsContact O-CG 3.29Å; E21-L25 WeakPolarHBondContact O-CG 3.44Å; E21-L25 PolarHBondContact O-N 3.23Å; K22-L25 PolarHBondContact O-N 3.31Å; K22-L25 VanDerWaalsContact O-N 3.08Å; L25-E28 PolarHBondContact O-N 3.48Å; L25-L29 VanDerWaalsContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CB 3.4Å; L25-L29 PolarHBondContact O-N 3.08Å
26D91.8Very high87.6Confident85 Ų8586.5 Ų86.546%0.45543%0.425SS..Hα-helixtrans-66.4-44.3178.4-64-20.3000111.2K22 R24 E28 L29 K30K22-D26 WeakPolarHBondContact CG-OD2 3.33Å; K22-D26 VanDerWaalsContact O-CG 3.23Å; K22-D26 PolarHBondContact O-N 2.87Å; R24-D26 VanDerWaalsContact C-N 3.34Å; D26-E28 PolarHBondContact O-N 3.21Å; D26-L29 PolarHBondContact O-N 3.49Å; D26-K30 PolarHBondContact O-N 2.92Å
27Q89.6Confident87.3Confident124 Ų12484.8 Ų84.858%0.57941%0.414SS*.Hα-helixtrans-60.6-45.5173.8-74.3173.52.600112.4S23 L29 K30 L31S23-Q27 WeakPolarHBondContact O-CB 3.36Å; S23-Q27 VanDerWaalsContact O-CG 3.24Å; S23-Q27 WeakPolarHBondContact O-CG 3.12Å; S23-Q27 PolarHBondContact O-N 2.94Å; Q27-L29 VanDerWaalsContact C-N 3.32Å; Q27-L29 PolarHBondContact O-N 2.98Å; Q27-K30 PolarHBondContact O-N 3.19Å; Q27-L31 WeakPolarHBondContact O-CG 3.43Å; Q27-L31 PolarHBondContact O-N 2.76Å
28E88.7Confident87.3Confident1 Ų173.2 Ų73.21%0.00537%0.372CS..Hα-helixtrans-64.4-39.3177-75.5178.1-177.200111.4R24 L25 D26 L31 I32 V44 W45 K48R24-E28 HydrophobicContact CG-CG 4.44Å; R24-E28 IonicContact NH1-OE1 3.07Å; R24-E28 PolarHBondContact NH1-OE1 2.93Å; R24-E28 IonicContact NH1-OE2 2.95Å; R24-E28 PolarHBondContact NH1-OE2 3.33Å; R24-E28 WeakPolarHBondContact O-CB 3.07Å; R24-E28 VanDerWaalsContact O-CG 3.31Å; R24-E28 WeakPolarHBondContact O-CG 3.34Å; R24-E28 PolarHBondContact O-N 3.21Å; L25-E28 PolarHBondContact O-N 3.48Å; D26-E28 PolarHBondContact O-N 3.21Å; E28-L31 PolarHBondContact O-N 3.12Å; E28-I32 HydrophobicContact CB-CD1 4.33Å; E28-I32 WeakPolarHBondContact O-CB 3.32Å; E28-I32 VanDerWaalsContact O-CD1 3.23Å; E28-I32 WeakPolarHBondContact O-CD1 3.41Å; E28-I32 WeakPolarHBondContact O-CG1 3.39Å; E28-I32 PolarHBondContact O-N 3.32Å; E28-V44 HydrophobicContact CG-CG1 4.4Å; E28-W45 PolarHBondContact OE1-NE1 3.42Å; E28-W45 VanDerWaalsContact OE1-NE1 3.15Å; E28-K48 IonicContact OE1-NZ 3.38Å; E28-K48 PolarHBondContact OE1-NZ 3.14Å; E28-K48 VanDerWaalsContact OE1-NZ 3.13Å
29L88.9Confident87.2Confident100 Ų10073.5 Ų73.552%0.52437%0.373SS..Hα-helixtrans-64.6-43.1178.1-17364.4000111.4L25 D26 Q27 L31 I32 A33L25-L29 VanDerWaalsContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CB 3.4Å; L25-L29 PolarHBondContact O-N 3.08Å; D26-L29 PolarHBondContact O-N 3.49Å; Q27-L29 VanDerWaalsContact C-N 3.32Å; Q27-L29 PolarHBondContact O-N 2.98Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 PolarHBondContact O-N 3.4Å; L29-I32 PolarHBondContact O-N 3.07Å; L29-A33 HydrophobicContact CD1-CB 4.02Å; L29-A33 HydrophobicContact CG-CB 4.45Å; L29-A33 WeakPolarHBondContact O-CB 3.21Å; L29-A33 PolarHBondContact O-N 3.34Å
30K89.3Confident87.1Confident134 Ų13472.9 Ų72.958%0.58337%0.365SS*.Iπ-helixtrans-56.7-46175.5-175.1176.3176.6-179.60112.1D26 Q27 G34 E35D26-K30 PolarHBondContact O-N 2.92Å; Q27-K30 PolarHBondContact O-N 3.19Å; K30-G34 WeakPolarHBondContact O-CA 3.24Å; K30-G34 PolarHBondContact O-N 3.47Å; K30-G34 VanDerWaalsContact O-N 3.08Å; K30-E35 WeakPolarHBondContact CE-OE1 3.27Å; K30-E35 IonicContact NZ-OE1 3.13Å; K30-E35 PolarHBondContact O-N 3.07Å
31L84.3Confident87.1Confident12 Ų1267.6 Ų67.66%0.06334%0.342CS..Iπ-helixtrans-67.5-36.9177.6-68.2172.9000112.9Q27 E28 L29 Y36 V44 V103 E104 L107Q27-L31 WeakPolarHBondContact O-CG 3.43Å; Q27-L31 PolarHBondContact O-N 2.76Å; E28-L31 PolarHBondContact O-N 3.12Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 PolarHBondContact O-N 3.4Å; L31-Y36 HydrophobicContact CD2-CD2 4.09Å; L31-Y36 HydrophobicContact CD2-CE2 3.9Å; L31-Y36 PolarHBondContact O-N 3.11Å; L31-V44 HydrophobicContact CD1-CG1 4.43Å; L31-V103 HydrophobicContact CD1-CG1 4.49Å; L31-E104 HydrophobicContact CD2-CG 4.06Å; L31-L107 HydrophobicContact CD2-CD1 4.23Å
32I79.8Confident87Confident21 Ų2169.9 Ų69.911%0.10835%0.347CS..Iπ-helixtrans-79-56.6-175-69.5163.4000111.6E28 L29 G37 L38 K41 V44E28-I32 HydrophobicContact CB-CD1 4.33Å; E28-I32 WeakPolarHBondContact O-CB 3.32Å; E28-I32 VanDerWaalsContact O-CD1 3.23Å; E28-I32 WeakPolarHBondContact O-CD1 3.41Å; E28-I32 WeakPolarHBondContact O-CG1 3.39Å; E28-I32 PolarHBondContact O-N 3.32Å; L29-I32 PolarHBondContact O-N 3.07Å; I32-G37 WeakPolarHBondContact O-CA 3.09Å; I32-G37 PolarHBondContact O-N 3.34Å; I32-L38 HydrophobicContact CB-CB 4.33Å; I32-L38 HydrophobicContact CG1-CB 4.15Å; I32-L38 HydrophobicContact CG1-CD1 4.11Å; I32-L38 HydrophobicContact CG2-CB 4.21Å; I32-L38 WeakPolarHBondContact CG2-O 3.45Å; I32-L38 PolarHBondContact O-N 3.43Å; I32-K41 HydrophobicContact CD1-CB 4.12Å; I32-K41 HydrophobicContact CD1-CG 3.38Å; I32-V44 HydrophobicContact CD1-CG2 3.96Å; I32-V44 HydrophobicContact CG1-CG2 3.6Å
33A64.6Low86.9Confident59 Ų5963.2 Ų63.249%0.48832%0.318SS..Iπ-helixtrans-88.1-31.3-170.100000112.5L29L29-A33 HydrophobicContact CD1-CB 4.02Å; L29-A33 HydrophobicContact CG-CB 4.45Å; L29-A33 WeakPolarHBondContact O-CB 3.21Å; L29-A33 PolarHBondContact O-N 3.34Å
34G71.1Confident86.8Confident52 Ų5260.2 Ų60.254%0.53630%0.297SS..Iπ-helixtrans-86.7-75.6-17800000112.3K30K30-G34 WeakPolarHBondContact O-CA 3.24Å; K30-G34 PolarHBondContact O-N 3.47Å; K30-G34 VanDerWaalsContact O-N 3.08Å
35E80.5Confident86.9Confident83 Ų8361.2 Ų61.239%0.38830%0.301SS..Iπ-helixtrans-93.5-25-154.9-69173-17000115.6K30 I124K30-E35 WeakPolarHBondContact CE-OE1 3.27Å; K30-E35 IonicContact NZ-OE1 3.13Å; K30-E35 PolarHBondContact O-N 3.07Å; E35-I124 WeakPolarHBondContact O-CD1 3.12Å
36Y87.6Confident87Confident16 Ų1663.9 Ų63.96%0.06331%0.308CS..SBendtrans-126.5-0.7-170.1-62.6-86.8000114.6L31 L38 L107 E108 Q112 T113 I124L31-Y36 HydrophobicContact CD2-CD2 4.09Å; L31-Y36 HydrophobicContact CD2-CE2 3.9Å; L31-Y36 PolarHBondContact O-N 3.11Å; Y36-L38 PolarHBondContact O-N 3.06Å; Y36-L107 HydrophobicContact CD1-CB 3.43Å; Y36-L107 VanDerWaalsContact CD1-CB 3.43Å; Y36-L107 HydrophobicContact CD1-CD1 4.42Å; Y36-L107 HydrophobicContact CD1-CG 4.48Å; Y36-L107 HydrophobicContact CD2-CB 4.28Å; Y36-L107 HydrophobicContact CD2-CD1 3.82Å; Y36-L107 HydrophobicContact CE1-CB 3.51Å; Y36-L107 HydrophobicContact CE2-CB 4.33Å; Y36-L107 HydrophobicContact CE2-CD1 4.15Å; Y36-L107 HydrophobicContact CG-CB 3.87Å; Y36-L107 HydrophobicContact CG-CD1 4Å; Y36-L107 HydrophobicContact CG-CG 4.49Å; Y36-E108 HydrophobicContact CE1-CG 4.2Å; Y36-Q112 PolarHBondContact O-NE2 2.76Å; Y36-T113 HydrophobicContact CD1-CG2 3.41Å; Y36-T113 VanDerWaalsContact CD1-CG2 3.41Å; Y36-T113 HydrophobicContact CE1-CG2 4.02Å; Y36-T113 HydrophobicContact CG-CG2 4.39Å; Y36-I124 VanDerWaalsContact C-CG2 3.47Å; Y36-I124 WeakPolarHBondContact O-CG2 3.47Å
37G87.3Confident87.1Confident1 Ų160.8 Ų60.81%0.0129%0.292CS..  trans52.849.2177.100000113.3I32 Q112 R128I32-G37 WeakPolarHBondContact O-CA 3.09Å; I32-G37 PolarHBondContact O-N 3.34Å; G37-Q112 PolarHBondContact O-NE2 3.45Å; G37-R128 PolarHBondContact O-NH1 3.34Å
38L90.8Very high87.3Confident11 Ų1158.1 Ų58.16%0.05828%0.279CS..  trans-79.2149.6179.3-54.1178.4000110.1I32 Y36 E43 V44 L107I32-L38 HydrophobicContact CB-CB 4.33Å; I32-L38 HydrophobicContact CG1-CB 4.15Å; I32-L38 HydrophobicContact CG1-CD1 4.11Å; I32-L38 HydrophobicContact CG2-CB 4.21Å; I32-L38 WeakPolarHBondContact CG2-O 3.45Å; I32-L38 PolarHBondContact O-N 3.43Å; Y36-L38 PolarHBondContact O-N 3.06Å; L38-E43 HydrophobicContact CB-CB 4.44Å; L38-E43 HydrophobicContact CD1-CB 4.44Å; L38-E43 HydrophobicContact CD2-CB 4.34Å; L38-V44 HydrophobicContact CD1-CG2 3.43Å; L38-V44 VanDerWaalsContact CD1-CG2 3.43Å; L38-L107 HydrophobicContact CD1-CD1 4.43Å; L38-L107 HydrophobicContact CD1-CD2 4.27Å; L38-L107 HydrophobicContact CD2-CD2 4.27Å
39R89Confident87.6Confident190 Ų19060.2 Ų60.272%0.71729%0.288SS*.SBendtrans-84-37.2179.6-164-175.374.7174.76.5112.6E43R39-E43 PolarHBondContact N-OE1 3.15Å
40N90.7Very high87.8Confident71 Ų7158.4 Ų58.438%0.3828%0.281SS..  trans-141.3151.3-171.9-60.857.4000110.8R42 E43N40-R42 HydrophobicContact CB-CB 4.27Å; N40-R42 PolarHBondContact O-N 3.28Å; N40-R42 VanDerWaalsContact O-N 3.09Å; N40-E43 WeakPolarHBondContact O-CB 3.36Å; N40-E43 PolarHBondContact O-N 3.04Å
41K90.8Very high88Confident80 Ų8052.5 Ų52.535%0.34826%0.255SS..Hα-helixtrans-53.2-28.9168.1-71.7177.5176.9174.40113.3I32 E43 V44 W45I32-K41 HydrophobicContact CD1-CB 4.12Å; I32-K41 HydrophobicContact CD1-CG 3.38Å; K41-E43 PolarHBondContact O-N 3.31Å; K41-V44 WeakPolarHBondContact O-CB 3.25Å; K41-V44 PolarHBondContact O-N 3.22Å; K41-W45 HydrophobicContact CB-CD2 4.47Å; K41-W45 HydrophobicContact CB-CH2 4.3Å; K41-W45 HydrophobicContact CB-CZ2 3.82Å; K41-W45 HydrophobicContact CD-CZ2 4.36Å; K41-W45 VanDerWaalsContact O-CG 3.3Å; K41-W45 PolarHBondContact O-N 2.99Å
42R91.8Very high88.5Confident123 Ų12354.4 Ų54.446%0.46427%0.273SS..Hα-helixtrans-57.5-33.3174.3-169.5177.1177.4-142.9-0.3113.1Y13 N40 W45 R46Y13-R42 HydrophobicContact CD1-CG 4.32Å; Y13-R42 HydrophobicContact CD2-CG 4.29Å; Y13-R42 VanDerWaalsContact CE1-NH2 3.29Å; Y13-R42 HydrophobicContact CG-CG 4.16Å; N40-R42 HydrophobicContact CB-CB 4.27Å; N40-R42 PolarHBondContact O-N 3.28Å; N40-R42 VanDerWaalsContact O-N 3.09Å; R42-W45 PolarHBondContact O-N 2.83Å; R42-R46 VanDerWaalsContact O-CG 3.32Å; R42-R46 WeakPolarHBondContact O-CG 3.33Å; R42-R46 PolarHBondContact O-N 2.95Å
43E91.6Very high89.2Confident26 Ų2658.9 Ų58.912%0.12129%0.292CS..Hα-helixtrans-65.5-42.2175.8-67.7-169.1-14000110.9L38 R39 N40 K41 R46 V47 R110 R128L38-E43 HydrophobicContact CB-CB 4.44Å; L38-E43 HydrophobicContact CD1-CB 4.44Å; L38-E43 HydrophobicContact CD2-CB 4.34Å; R39-E43 PolarHBondContact N-OE1 3.15Å; N40-E43 WeakPolarHBondContact O-CB 3.36Å; N40-E43 PolarHBondContact O-N 3.04Å; K41-E43 PolarHBondContact O-N 3.31Å; E43-R46 PolarHBondContact O-N 3.27Å; E43-V47 PolarHBondContact O-N 3.02Å; E43-R110 IonicContact OE2-CZ 2.75Å; E43-R110 IonicContact OE2-NH2 3.59Å; E43-R110 PolarHBondContact OE2-NH2 2.87Å; E43-R128 IonicContact OE1-CZ 3.51Å; E43-R128 IonicContact OE1-NH1 2.76Å; E43-R128 PolarHBondContact OE1-NH1 3.14Å; E43-R128 IonicContact OE1-NH2 3.53Å; E43-R128 PolarHBondContact OE1-NH2 3.18Å; E43-R128 IonicContact OE2-NH1 3.99Å; E43-R128 IonicContact OE2-NH2 3.85Å
44V92.3Very high90.6Very high0 Ų057.7 Ų57.70%028%0.277CS..Hα-helixtrans-61.4-46.8173.2-177.10000110.5E28 L31 I32 L38 K41 R46 V47 K48E28-V44 HydrophobicContact CG-CG1 4.4Å; L31-V44 HydrophobicContact CD1-CG1 4.43Å; I32-V44 HydrophobicContact CD1-CG2 3.96Å; I32-V44 HydrophobicContact CG1-CG2 3.6Å; L38-V44 HydrophobicContact CD1-CG2 3.43Å; L38-V44 VanDerWaalsContact CD1-CG2 3.43Å; K41-V44 WeakPolarHBondContact O-CB 3.25Å; K41-V44 PolarHBondContact O-N 3.22Å; V44-R46 VanDerWaalsContact C-N 3.29Å; V44-R46 PolarHBondContact O-N 3.32Å; V44-V47 PolarHBondContact O-N 3.08Å; V44-V47 VanDerWaalsContact O-N 3.14Å; V44-K48 HydrophobicContact CG1-CD 4.06Å; V44-K48 HydrophobicContact CG1-CG 4.26Å; V44-K48 WeakPolarHBondContact O-CG 3.46Å; V44-K48 PolarHBondContact O-N 3.09Å
45W94.2Very high91.7Very high49 Ų4959.3 Ų59.319%0.18627%0.267CS..Hα-helixtrans-65.2-31.2-178.4-59.2-18.5000113.4Y13 T15 P16 E28 K41 R42 F49Y13-W45 HydrophobicContact CD2-CE3 4.26Å; T15-W45 HydrophobicContact CG2-CE3 4.14Å; T15-W45 HydrophobicContact CG2-CH2 4.47Å; T15-W45 HydrophobicContact CG2-CZ3 3.83Å; P16-W45 HydrophobicContact CG-CZ2 4.07Å; E28-W45 PolarHBondContact OE1-NE1 3.42Å; E28-W45 VanDerWaalsContact OE1-NE1 3.15Å; K41-W45 HydrophobicContact CB-CD2 4.47Å; K41-W45 HydrophobicContact CB-CH2 4.3Å; K41-W45 HydrophobicContact CB-CZ2 3.82Å; K41-W45 HydrophobicContact CD-CZ2 4.36Å; K41-W45 VanDerWaalsContact O-CG 3.3Å; K41-W45 PolarHBondContact O-N 2.99Å; R42-W45 PolarHBondContact O-N 2.83Å; W45-F49 VanDerWaalsContact O-CB 3.23Å; W45-F49 WeakPolarHBondContact O-CB 3.21Å; W45-F49 PolarHBondContact O-N 3.27Å
46R93.4Very high92.4Very high103 Ų10360.9 Ų60.939%0.38927%0.273SS..Hα-helixtrans-63-46172.1-76.117867.2-163.7-2111.3T12 R42 E43 V44 F49 T50T12-R46 WeakPolarHBondContact O-CG 3.2Å; R42-R46 VanDerWaalsContact O-CG 3.32Å; R42-R46 WeakPolarHBondContact O-CG 3.33Å; R42-R46 PolarHBondContact O-N 2.95Å; E43-R46 PolarHBondContact O-N 3.27Å; V44-R46 VanDerWaalsContact C-N 3.29Å; V44-R46 PolarHBondContact O-N 3.32Å; R46-F49 PolarHBondContact O-N 3.09Å; R46-T50 PolarHBondContact O-N 3.44Å; R46-T50 PolarHBondContact O-OG1 3.35Å
47V92.9Very high92.7Very high21 Ų2161.8 Ų61.813%0.12728%0.283CS..Hα-helixtrans-67.8-43.8179.2-179.30000111.1E43 V44 F49 T50 L51 V103 F106 L107E43-V47 PolarHBondContact O-N 3.02Å; V44-V47 PolarHBondContact O-N 3.08Å; V44-V47 VanDerWaalsContact O-N 3.14Å; V47-F49 VanDerWaalsContact C-N 3.27Å; V47-F49 PolarHBondContact O-N 3.2Å; V47-T50 WeakPolarHBondContact CA-OG1 3.5Å; V47-T50 PolarHBondContact O-N 3.29Å; V47-T50 PolarHBondContact O-OG1 2.92Å; V47-L51 WeakPolarHBondContact O-CB 3.26Å; V47-L51 PolarHBondContact O-N 3.36Å; V47-V103 HydrophobicContact CB-CG1 4.31Å; V47-V103 HydrophobicContact CG1-CG1 3.86Å; V47-F106 HydrophobicContact CG1-CB 3.5Å; V47-F106 VanDerWaalsContact CG1-CB 3.5Å; V47-F106 HydrophobicContact CG1-CG 4.16Å; V47-L107 HydrophobicContact CG2-CD2 3.94Å
48K93.7Very high93Very high68 Ų6861.7 Ų61.730%0.29628%0.282SS..Hα-helixtrans-56.1-43.1172.9-73.6-177.7176.5179.70111.4E28 V44 L51 A52 V103E28-K48 IonicContact OE1-NZ 3.38Å; E28-K48 PolarHBondContact OE1-NZ 3.14Å; E28-K48 VanDerWaalsContact OE1-NZ 3.13Å; V44-K48 HydrophobicContact CG1-CD 4.06Å; V44-K48 HydrophobicContact CG1-CG 4.26Å; V44-K48 WeakPolarHBondContact O-CG 3.46Å; V44-K48 PolarHBondContact O-N 3.09Å; K48-L51 PolarHBondContact O-N 3.36Å; K48-A52 WeakPolarHBondContact O-CB 3.4Å; K48-A52 PolarHBondContact O-N 3.43Å; K48-V103 HydrophobicContact CG-CG2 3.94Å
49F94.8Very high93.3Very high45 Ų4568.8 Ų68.820%0.19731%0.308CS..Hα-helixtrans-67.6-40.9178.9-177.6-118.1000113K11 T12 V14 W45 R46 V47 A52 K53K11-F49 WeakPolarHBondContact O-CE1 3.4Å; T12-F49 VanDerWaalsContact C-CD1 3.44Å; T12-F49 WeakPolarHBondContact O-CD1 3.2Å; V14-F49 HydrophobicContact CB-CD2 4.02Å; V14-F49 HydrophobicContact CB-CE2 4.41Å; V14-F49 HydrophobicContact CG2-CD2 3.38Å; V14-F49 HydrophobicContact CG2-CE2 3.31Å; V14-F49 HydrophobicContact CG2-CG 4.25Å; V14-F49 HydrophobicContact CG2-CZ 4.1Å; W45-F49 VanDerWaalsContact O-CB 3.23Å; W45-F49 WeakPolarHBondContact O-CB 3.21Å; W45-F49 PolarHBondContact O-N 3.27Å; R46-F49 PolarHBondContact O-N 3.09Å; V47-F49 VanDerWaalsContact C-N 3.27Å; V47-F49 PolarHBondContact O-N 3.2Å; F49-A52 PolarHBondContact O-N 3.35Å; F49-K53 HydrophobicContact CE1-CD 4.28Å; F49-K53 HydrophobicContact CZ-CD 4.4Å; F49-K53 PolarHBondContact O-N 2.95Å; F49-K53 VanDerWaalsContact O-N 3.17Å
50T93.4Very high93.5Very high62 Ų6264.6 Ų64.638%0.3830%0.297SS..Hα-helixtrans-64.9-42.117548.60000111.8R46 V47 K53 I54R46-T50 PolarHBondContact O-N 3.44Å; R46-T50 PolarHBondContact O-OG1 3.35Å; V47-T50 WeakPolarHBondContact CA-OG1 3.5Å; V47-T50 PolarHBondContact O-N 3.29Å; V47-T50 PolarHBondContact O-OG1 2.92Å; T50-K53 PolarHBondContact O-N 3.45Å; T50-I54 WeakPolarHBondContact O-CG1 3.38Å; T50-I54 PolarHBondContact O-N 3.22Å; T50-I54 VanDerWaalsContact O-N 3.09Å
51L93.8Very high93.6Very high9 Ų961.4 Ų61.45%0.04728%0.28CS..Hα-helixtrans-62.7-44.6177.1-169163.3000110.7V47 K48 K53 I54 R55 K102 V103 F106V47-L51 WeakPolarHBondContact O-CB 3.26Å; V47-L51 PolarHBondContact O-N 3.36Å; K48-L51 PolarHBondContact O-N 3.36Å; L51-K53 VanDerWaalsContact C-N 3.28Å; L51-K53 PolarHBondContact O-N 2.95Å; L51-I54 PolarHBondContact O-N 3.26Å; L51-I54 VanDerWaalsContact O-N 3.15Å; L51-R55 VanDerWaalsContact CD2-CD 3.42Å; L51-R55 HydrophobicContact CD2-CG 3.8Å; L51-R55 VanDerWaalsContact CD2-CZ 3.46Å; L51-R55 VanDerWaalsContact CD2-NH1 3.27Å; L51-R55 PolarHBondContact O-N 2.65Å; L51-K102 VanDerWaalsContact CD1-O 3.31Å; L51-K102 WeakPolarHBondContact CD1-O 3.46Å; L51-V103 HydrophobicContact CD1-CG2 4.21Å; L51-F106 HydrophobicContact CD1-CD2 4.23Å; L51-F106 HydrophobicContact CD1-CE2 4.25Å; L51-F106 HydrophobicContact CG-CE2 4.25Å
52A94.4Very high93.7Very high53 Ų5359.7 Ų59.744%0.43827%0.274SS..Hα-helixtrans-58.6-38.5176.800000112.7K48 F49 K56K48-A52 WeakPolarHBondContact O-CB 3.4Å; K48-A52 PolarHBondContact O-N 3.43Å; F49-A52 PolarHBondContact O-N 3.35Å; A52-K56 WeakPolarHBondContact O-CB 3.33Å; A52-K56 PolarHBondContact O-N 3.06Å
53K94.4Very high93.8Very high115 Ų11559.5 Ų59.550%0.529%0.287SS..Hα-helixtrans-66.2-43.8174.7-73.8-178.1175.9179.30112.5F49 T50 L51 K56 A57F49-K53 HydrophobicContact CE1-CD 4.28Å; F49-K53 HydrophobicContact CZ-CD 4.4Å; F49-K53 PolarHBondContact O-N 2.95Å; F49-K53 VanDerWaalsContact O-N 3.17Å; T50-K53 PolarHBondContact O-N 3.45Å; L51-K53 VanDerWaalsContact C-N 3.28Å; L51-K53 PolarHBondContact O-N 2.95Å; K53-K56 PolarHBondContact O-N 3.35Å; K53-A57 PolarHBondContact O-N 3.4Å
54I93.7Very high93.9Very high33 Ų3360.6 Ų60.617%0.16929%0.293CS..Hα-helixtrans-62.7-46.5178.5-69.7165000110.2T50 L51 K56 A57 A58 L78 L82 I98 F106T50-I54 WeakPolarHBondContact O-CG1 3.38Å; T50-I54 PolarHBondContact O-N 3.22Å; T50-I54 VanDerWaalsContact O-N 3.09Å; L51-I54 PolarHBondContact O-N 3.26Å; L51-I54 VanDerWaalsContact O-N 3.15Å; I54-K56 VanDerWaalsContact C-N 3.35Å; I54-K56 PolarHBondContact O-N 3Å; I54-A57 PolarHBondContact O-N 3.31Å; I54-A58 PolarHBondContact O-N 3.46Å; I54-L78 HydrophobicContact CG2-CD1 4.26Å; I54-L82 HydrophobicContact CD1-CD2 4.27Å; I54-L82 HydrophobicContact CG2-CD1 4.22Å; I54-I98 HydrophobicContact CG2-CG2 3.49Å; I54-I98 VanDerWaalsContact CG2-CG2 3.49Å; I54-F106 HydrophobicContact CD1-CE1 3.99Å; I54-F106 HydrophobicContact CD1-CZ 3.64Å
55R94.9Very high93.9Very high87 Ų8765.9 Ų65.933%0.32832%0.322SS..Hα-helixtrans-63.6-37175-78.1-173.8168.7153.5-8.2113L51 A58 R59 L99 L101L51-R55 VanDerWaalsContact CD2-CD 3.42Å; L51-R55 HydrophobicContact CD2-CG 3.8Å; L51-R55 VanDerWaalsContact CD2-CZ 3.46Å; L51-R55 VanDerWaalsContact CD2-NH1 3.27Å; L51-R55 PolarHBondContact O-N 2.65Å; R55-A58 PolarHBondContact O-N 3.15Å; R55-R59 WeakPolarHBondContact O-CG 3.26Å; R55-R59 PolarHBondContact O-N 2.76Å; R55-L99 PolarHBondContact NE-O 3.24Å; R55-L99 PolarHBondContact NH2-O 3.29Å; R55-L101 VanDerWaalsContact CZ-O 3.24Å; R55-L101 PolarHBondContact NH2-O 3.32Å
56K95.1Very high93.6Very high116 Ų11670.3 Ų70.350%0.50434%0.344SS..Hα-helixtrans-61.7-49.6175.8-176.1179.2168.4178.40110.6A52 K53 I54 A58 R59 E60A52-K56 WeakPolarHBondContact O-CB 3.33Å; A52-K56 PolarHBondContact O-N 3.06Å; K53-K56 PolarHBondContact O-N 3.35Å; I54-K56 VanDerWaalsContact C-N 3.35Å; I54-K56 PolarHBondContact O-N 3Å; K56-A58 VanDerWaalsContact C-N 3.34Å; K56-A58 PolarHBondContact O-N 3.35Å; K56-R59 PolarHBondContact O-N 3.45Å; K56-E60 WeakPolarHBondContact CE-OE1 3.48Å; K56-E60 IonicContact NZ-OE1 2.7Å; K56-E60 WeakPolarHBondContact O-CG 3.4Å; K56-E60 PolarHBondContact O-N 3.43Å
57A93.9Very high93.6Very high34 Ų3473.9 Ų73.928%0.28136%0.363SS..Hα-helixtrans-59.6-44.7176.400000111.7K53 I54 R59 E60 L61K53-A57 PolarHBondContact O-N 3.4Å; I54-A57 PolarHBondContact O-N 3.31Å; A57-R59 PolarHBondContact O-N 2.92Å; A57-E60 PolarHBondContact O-N 3.17Å; A57-L61 VanDerWaalsContact O-CG 3.27Å; A57-L61 WeakPolarHBondContact O-CG 3.5Å; A57-L61 PolarHBondContact O-N 3.13Å
58A94.2Very high93.6Very high0 Ų075.4 Ų75.40%037%0.37CS..Hα-helixtrans-60.5-42.517700000112.7I54 R55 K56 L61 L62 L78 I98 L99I54-A58 PolarHBondContact O-N 3.46Å; R55-A58 PolarHBondContact O-N 3.15Å; K56-A58 VanDerWaalsContact C-N 3.34Å; K56-A58 PolarHBondContact O-N 3.35Å; A58-L61 PolarHBondContact O-N 2.9Å; A58-L62 WeakPolarHBondContact O-CB 3.41Å; A58-L62 VanDerWaalsContact O-CG 3.26Å; A58-L62 WeakPolarHBondContact O-CG 3.39Å; A58-L62 PolarHBondContact O-N 3.36Å; A58-L78 HydrophobicContact CB-CD2 4.33Å; A58-I98 HydrophobicContact CB-CB 4.16Å; A58-I98 HydrophobicContact CB-CD1 4.48Å; A58-I98 HydrophobicContact CB-CG2 3.93Å; A58-L99 HydrophobicContact CB-CD2 4.19Å
59R95.5Very high93.6Very high159 Ų15976.9 Ų76.960%0.639%0.387SS*.Hα-helixtrans-63-43.2176.5-75.4-171.3-62.4159.52.8112.5R55 K56 A57 L62 T63 L99R55-R59 WeakPolarHBondContact O-CG 3.26Å; R55-R59 PolarHBondContact O-N 2.76Å; K56-R59 PolarHBondContact O-N 3.45Å; A57-R59 PolarHBondContact O-N 2.92Å; R59-L62 PolarHBondContact O-N 3.21Å; R59-T63 WeakPolarHBondContact O-CG2 3.44Å; R59-T63 PolarHBondContact O-N 2.83Å; R59-L99 HydrophobicContact CG-CD2 3.74Å
60E93.7Very high93.5Very high102 Ų10279.8 Ų79.848%0.47740%0.399SS..Hα-helixtrans-60.1-47.7176.1-71.1168.5-175.900110.2K56 A57 L62 T63 L64K56-E60 WeakPolarHBondContact CE-OE1 3.48Å; K56-E60 IonicContact NZ-OE1 2.7Å; K56-E60 WeakPolarHBondContact O-CG 3.4Å; K56-E60 PolarHBondContact O-N 3.43Å; A57-E60 PolarHBondContact O-N 3.17Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.14Å; E60-T63 PolarHBondContact O-N 3.19Å; E60-T63 PolarHBondContact O-OG1 3.16Å; E60-L64 WeakPolarHBondContact O-CD1 3.4Å
61L92.6Very high93.5Very high5 Ų578.7 Ų78.73%0.02639%0.388CS..Hα-helixtrans-64.8-33.5179-64.5171000113.6A57 A58 T63 L64 R71 E74 L95A57-L61 VanDerWaalsContact O-CG 3.27Å; A57-L61 WeakPolarHBondContact O-CG 3.5Å; A57-L61 PolarHBondContact O-N 3.13Å; A58-L61 PolarHBondContact O-N 2.9Å; L61-T63 VanDerWaalsContact C-N 3.25Å; L61-T63 PolarHBondContact O-N 3.38Å; L61-L64 PolarHBondContact O-N 3.04Å; L61-R71 PolarHBondContact O-NH1 2.92Å; L61-E74 HydrophobicContact CD1-CB 4.11Å; L61-E74 HydrophobicContact CD2-CB 3.83Å; L61-L95 HydrophobicContact CB-CD1 4.15Å
62L93.1Very high93.4Very high43 Ų4382.4 Ų82.423%0.22541%0.408CS..Hα-helixtrans-69.7-21.4178.8-77.8170.6000113.4A58 R59 E60 L64 R71 L95 D96 L99A58-L62 WeakPolarHBondContact O-CB 3.41Å; A58-L62 VanDerWaalsContact O-CG 3.26Å; A58-L62 WeakPolarHBondContact O-CG 3.39Å; A58-L62 PolarHBondContact O-N 3.36Å; R59-L62 PolarHBondContact O-N 3.21Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.14Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-R71 PolarHBondContact O-NH1 3.32Å; L62-R71 VanDerWaalsContact O-NH1 3.12Å; L62-L95 HydrophobicContact CD2-CB 3.76Å; L62-L95 HydrophobicContact CD2-CD1 4.36Å; L62-L95 HydrophobicContact CG-CB 4.14Å; L62-D96 WeakPolarHBondContact CD2-OD1 3.25Å; L62-L99 HydrophobicContact CD1-CD1 3.66Å; L62-L99 HydrophobicContact CD1-CG 4.16Å
63T93.5Very high93.3Very high119 Ų11987.6 Ų87.673%0.7342%0.42SS*.Hα-helixtrans-77.1-19.1175.460.10000113.9R59 E60 L61R59-T63 WeakPolarHBondContact O-CG2 3.44Å; R59-T63 PolarHBondContact O-N 2.83Å; E60-T63 PolarHBondContact O-N 3.19Å; E60-T63 PolarHBondContact O-OG1 3.16Å; L61-T63 VanDerWaalsContact C-N 3.25Å; L61-T63 PolarHBondContact O-N 3.38Å
64L93.6Very high93.3Very high50 Ų5086.4 Ų86.426%0.26242%0.417SS..SBendtrans-82.9156.6177.4-76.375.9000110.4E60 L61 L62 D68 K70 R71E60-L64 WeakPolarHBondContact O-CD1 3.4Å; L61-L64 PolarHBondContact O-N 3.04Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L64-D68 HydrophobicContact CB-CB 4.22Å; L64-D68 HydrophobicContact CD2-CB 4.31Å; L64-D68 WeakPolarHBondContact CD2-OD1 3.38Å; L64-K70 HydrophobicContact CD2-CB 4.22Å; L64-K70 HydrophobicContact CD2-CD 4.25Å; L64-R71 HydrophobicContact CB-CB 4.35Å; L64-R71 PolarHBondContact O-NH1 3.32Å
65D92.8Very high93.2Very high111 Ų11184.9 Ų84.959%0.59441%0.41SS*.  trans-59.6151.9174-176.655.6000112K67 D68 R71D65-K67 PolarHBondContact O-N 2.86Å; D65-K67 PolarHBondContact OD2-N 3.36Å; D65-D68 WeakPolarHBondContact O-CB 3.37Å; D65-D68 PolarHBondContact O-N 3.46Å; D65-D68 VanDerWaalsContact O-N 3.15Å; D65-R71 WeakPolarHBondContact O-CD 3.48Å
66E88.4Confident93Very high142 Ų14284.3 Ų84.366%0.66441%0.413SS*.THydrogen-bonded Turntrans-60.4-32-175.7-65.8-167.2163.100113.5
67K92.4Very high92.9Very high177 Ų17780.8 Ų80.877%0.7741%0.405SS*.THydrogen-bonded Turntrans-93.51.1-177.8-64.3-178.6-179.2176.80113.4D65D65-K67 PolarHBondContact O-N 2.86Å; D65-K67 PolarHBondContact OD2-N 3.36Å
68D93.8Very high92.8Very high53 Ų5380.1 Ų80.128%0.28340%0.397SS..  trans-61.8131.7179.4-176.1-81.8000110.9L64 D65 K70 R71 L72L64-D68 HydrophobicContact CB-CB 4.22Å; L64-D68 HydrophobicContact CD2-CB 4.31Å; L64-D68 WeakPolarHBondContact CD2-OD1 3.38Å; D65-D68 WeakPolarHBondContact O-CB 3.37Å; D65-D68 PolarHBondContact O-N 3.46Å; D65-D68 VanDerWaalsContact O-N 3.15Å; D68-K70 PolarHBondContact O-N 3.09Å; D68-K70 WeakPolarHBondContact OD1-CA 3.37Å; D68-K70 WeakPolarHBondContact OD1-CB 3.4Å; D68-K70 PolarHBondContact OD1-N 3.03Å; D68-R71 HydrophobicContact CB-CB 4.18Å; D68-R71 PolarHBondContact O-N 2.91Å; D68-R71 VanDerWaalsContact O-N 3.12Å; D68-R71 PolarHBondContact OD1-N 2.92Å; D68-L72 WeakPolarHBondContact O-CG 2.88Å; D68-L72 PolarHBondContact O-N 3.28Å
69P94.1Very high92.7Very high99 Ų9980.7 Ų80.764%0.64340%0.4SS*.Hα-helixtrans-60.9-33.2-175.923.7-34.5000112.7F73P69-F73 WeakPolarHBondContact O-CB 3.24Å; P69-F73 PolarHBondContact O-N 3.08Å
70K92.6Very high92.6Very high107 Ų10781.3 Ų81.347%0.46540%0.402SS..Hα-helixtrans-69.1-43.3177.5-171.1-177.8177.4-176.90110.7L64 D68 F73 E74L64-K70 HydrophobicContact CD2-CB 4.22Å; L64-K70 HydrophobicContact CD2-CD 4.25Å; D68-K70 PolarHBondContact O-N 3.09Å; D68-K70 WeakPolarHBondContact OD1-CA 3.37Å; D68-K70 WeakPolarHBondContact OD1-CB 3.4Å; D68-K70 PolarHBondContact OD1-N 3.03Å; K70-F73 PolarHBondContact O-N 3.42Å; K70-E74 WeakPolarHBondContact CE-OE1 3.39Å; K70-E74 HydrophobicContact CG-CG 4.24Å; K70-E74 WeakPolarHBondContact O-CB 3.33Å; K70-E74 PolarHBondContact O-N 3.3Å
71R92.5Very high92.5Very high39 Ų3984.4 Ų84.415%0.14741%0.41CS..Hα-helixtrans-60.3-46.8175.9-175.1-178.6173128.4-5.7111.2L61 L62 L64 D65 D68 G75 L95L61-R71 PolarHBondContact O-NH1 2.92Å; L62-R71 PolarHBondContact O-NH1 3.32Å; L62-R71 VanDerWaalsContact O-NH1 3.12Å; L64-R71 HydrophobicContact CB-CB 4.35Å; L64-R71 PolarHBondContact O-NH1 3.32Å; D65-R71 WeakPolarHBondContact O-CD 3.48Å; D68-R71 HydrophobicContact CB-CB 4.18Å; D68-R71 PolarHBondContact O-N 2.91Å; D68-R71 VanDerWaalsContact O-N 3.12Å; D68-R71 PolarHBondContact OD1-N 2.92Å; R71-G75 VanDerWaalsContact O-CA 3.24Å; R71-G75 WeakPolarHBondContact O-CA 3.34Å; R71-G75 PolarHBondContact O-N 3.46Å; R71-L95 HydrophobicContact CG-CD1 4.34Å
72L91.6Very high92.4Very high87 Ų8784.3 Ų84.346%0.45541%0.409SS..Hα-helixtrans-63.6-44.7179.3-68.7174.2000112D68 N76D68-L72 WeakPolarHBondContact O-CG 2.88Å; D68-L72 PolarHBondContact O-N 3.28Å; L72-N76 WeakPolarHBondContact O-CB 3.05Å; L72-N76 PolarHBondContact O-N 2.79Å; L72-N76 PolarHBondContact O-ND2 3.4Å
73F93.5Very high92.4Very high161 Ų16183 Ų8371%0.70640%0.403SS*.Hα-helixtrans-73.5-57.4-177.2-176.9-103.8000112.5P69 K70 A77P69-F73 WeakPolarHBondContact O-CB 3.24Å; P69-F73 PolarHBondContact O-N 3.08Å; K70-F73 PolarHBondContact O-N 3.42Å; F73-A77 WeakPolarHBondContact O-CB 3.36Å; F73-A77 PolarHBondContact O-N 3.11Å; F73-A77 VanDerWaalsContact O-N 3.08Å
74E93.2Very high92.3Very high90 Ų9083.8 Ų83.842%0.42139%0.392SS..Hα-helixtrans-69.3-37.1-176.6-66.2-173.3-177.800111.7L61 K70 A77 L78L61-E74 HydrophobicContact CD1-CB 4.11Å; L61-E74 HydrophobicContact CD2-CB 3.83Å; K70-E74 WeakPolarHBondContact CE-OE1 3.39Å; K70-E74 HydrophobicContact CG-CG 4.24Å; K70-E74 WeakPolarHBondContact O-CB 3.33Å; K70-E74 PolarHBondContact O-N 3.3Å; E74-A77 PolarHBondContact O-N 3.44Å; E74-L78 WeakPolarHBondContact O-CB 3.34Å; E74-L78 PolarHBondContact O-N 2.91Å
75G91.7Very high92.2Very high2 Ų283.2 Ų83.22%0.02139%0.389CS..Hα-helixtrans-62.5-48.5177.500000112.1R71 A77 L78 L79R71-G75 VanDerWaalsContact O-CA 3.24Å; R71-G75 WeakPolarHBondContact O-CA 3.34Å; R71-G75 PolarHBondContact O-N 3.46Å; G75-A77 VanDerWaalsContact C-N 3.32Å; G75-A77 PolarHBondContact O-N 2.86Å; G75-L78 PolarHBondContact O-N 2.91Å; G75-L79 WeakPolarHBondContact O-CG 3.32Å; G75-L79 PolarHBondContact O-N 2.78Å
76N91.5Very high92Very high75 Ų7579 Ų7940%0.40137%0.371SS..Hα-helixtrans-63.6-38.3176-77.1-36.6000112.1L72 L78 L79 R80L72-N76 WeakPolarHBondContact O-CB 3.05Å; L72-N76 PolarHBondContact O-N 2.79Å; L72-N76 PolarHBondContact O-ND2 3.4Å; N76-L78 VanDerWaalsContact C-N 3.33Å; N76-L78 PolarHBondContact O-N 2.86Å; N76-L79 PolarHBondContact O-N 3.48Å; N76-R80 VanDerWaalsContact O-CB 3.32Å; N76-R80 WeakPolarHBondContact O-CB 3.22Å; N76-R80 WeakPolarHBondContact O-CG 3.46Å; N76-R80 PolarHBondContact O-N 3.35Å
77A93.3Very high92.1Very high41 Ų4173 Ų7334%0.33934%0.344SS..Hα-helixtrans-63.7-38.8175.900000112.2F73 E74 G75 R81F73-A77 WeakPolarHBondContact O-CB 3.36Å; F73-A77 PolarHBondContact O-N 3.11Å; F73-A77 VanDerWaalsContact O-N 3.08Å; E74-A77 PolarHBondContact O-N 3.44Å; G75-A77 VanDerWaalsContact C-N 3.32Å; G75-A77 PolarHBondContact O-N 2.86Å; A77-R81 WeakPolarHBondContact O-CB 3.47Å; A77-R81 PolarHBondContact O-N 2.79Å
78L92Very high91.9Very high21 Ų2165.1 Ų65.111%0.1131%0.311CS..Hα-helixtrans-66.9-48.3177.2-171.164.1000111.4I54 A58 E74 G75 N76 R81 L82 I98I54-L78 HydrophobicContact CG2-CD1 4.26Å; A58-L78 HydrophobicContact CB-CD2 4.33Å; E74-L78 WeakPolarHBondContact O-CB 3.34Å; E74-L78 PolarHBondContact O-N 2.91Å; G75-L78 PolarHBondContact O-N 2.91Å; N76-L78 VanDerWaalsContact C-N 3.33Å; N76-L78 PolarHBondContact O-N 2.86Å; L78-R81 PolarHBondContact O-N 3.38Å; L78-L82 HydrophobicContact CG-CD1 4.47Å; L78-L82 PolarHBondContact O-N 3.25Å; L78-L82 VanDerWaalsContact O-N 3.14Å; L78-I98 HydrophobicContact CD2-CD1 3.66Å; L78-I98 HydrophobicContact CG-CD1 4Å
79L91.8Very high91.6Very high12 Ų1267.6 Ų67.66%0.06332%0.324CS..Hα-helixtrans-60.4-50.3178.3-72.8169.6000111.6G75 N76 R81 L82 V83 L88 L95 I98G75-L79 WeakPolarHBondContact O-CG 3.32Å; G75-L79 PolarHBondContact O-N 2.78Å; N76-L79 PolarHBondContact O-N 3.48Å; L79-R81 PolarHBondContact O-N 2.87Å; L79-L82 PolarHBondContact O-N 3.3Å; L79-L82 VanDerWaalsContact O-N 3.08Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 2.77Å; L79-L88 HydrophobicContact CD2-CD2 3.72Å; L79-L95 HydrophobicContact CD1-CD2 4.18Å; L79-L95 HydrophobicContact CD2-CD2 4.48Å; L79-L95 HydrophobicContact CG-CD2 4.09Å; L79-I98 HydrophobicContact CD2-CD1 3.8Å; L79-I98 HydrophobicContact CD2-CG1 4.12Å; L79-I98 HydrophobicContact CG-CD1 4.36Å
80R92Very high91Very high171 Ų17169.3 Ų69.365%0.64532%0.323SS*.Hα-helixtrans-56.7-37.1177.8-74.3173.6-178.7168.91.2112.4N76 R84N76-R80 VanDerWaalsContact O-CB 3.32Å; N76-R80 WeakPolarHBondContact O-CB 3.22Å; N76-R80 WeakPolarHBondContact O-CG 3.46Å; N76-R80 PolarHBondContact O-N 3.35Å; R80-R84 WeakPolarHBondContact O-CB 3.26Å; R80-R84 PolarHBondContact O-N 3.15Å
81R91.7Very high90.5Very high168 Ų16867.6 Ų67.663%0.63434%0.336SS*.Hα-helixtrans-67.9-42178-171.1-177.1-59.5177.92.9111.9A77 L78 L79 I85A77-R81 WeakPolarHBondContact O-CB 3.47Å; A77-R81 PolarHBondContact O-N 2.79Å; L78-R81 PolarHBondContact O-N 3.38Å; L79-R81 PolarHBondContact O-N 2.87Å; R81-I85 HydrophobicContact CG-CD1 4.38Å; R81-I85 WeakPolarHBondContact O-CG1 3.31Å; R81-I85 PolarHBondContact O-N 3.38Å
82L91.5Very high90.1Very high3 Ų370.7 Ų70.72%0.01635%0.351CS..Hα-helixtrans-68.8-42.6179.8-71.6171.6000111.9I54 L78 L79 I85 G86 V87 L88 I98 L101 F106I54-L82 HydrophobicContact CD1-CD2 4.27Å; I54-L82 HydrophobicContact CG2-CD1 4.22Å; L78-L82 HydrophobicContact CG-CD1 4.47Å; L78-L82 PolarHBondContact O-N 3.25Å; L78-L82 VanDerWaalsContact O-N 3.14Å; L79-L82 PolarHBondContact O-N 3.3Å; L79-L82 VanDerWaalsContact O-N 3.08Å; L82-I85 PolarHBondContact O-N 3.27Å; L82-G86 PolarHBondContact O-N 2.64Å; L82-V87 HydrophobicContact CD2-CB 4.29Å; L82-V87 HydrophobicContact CD2-CG1 4.4Å; L82-V87 PolarHBondContact O-N 3.46Å; L82-V87 VanDerWaalsContact O-N 3.09Å; L82-L88 HydrophobicContact CB-CB 4.18Å; L82-I98 HydrophobicContact CD1-CD1 3.8Å; L82-I98 HydrophobicContact CD1-CG1 3.82Å; L82-I98 HydrophobicContact CD1-CG2 4.1Å; L82-L101 HydrophobicContact CD1-CD1 4.14Å; L82-L101 HydrophobicContact CD2-CD1 4.38Å; L82-F106 HydrophobicContact CD2-CE1 4.36Å; L82-F106 HydrophobicContact CD2-CZ 3.88Å
83V92.4Very high89.6Confident15 Ų1571.5 Ų71.59%0.09135%0.354CS..Hα-helixtrans-62.7-46.7174.6174.10000110.6L79 I85 G86 L88 E90 M93 L152L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 2.77Å; V83-I85 PolarHBondContact O-N 2.81Å; V83-I85 VanDerWaalsContact O-N 3.15Å; V83-G86 WeakPolarHBondContact O-CA 3.32Å; V83-G86 PolarHBondContact O-N 2.92Å; V83-L88 HydrophobicContact CG2-CB 4.36Å; V83-E90 HydrophobicContact CG1-CG 3.96Å; V83-M93 HydrophobicContact CG1-CE 4.33Å; V83-M93 HydrophobicContact CG2-CE 4.21Å; V83-M93 HydrophobicContact CG2-CG 4.4Å; V83-L152 WeakPolarHBondContact O-CD1 3.4Å
84R91.9Very high89.3Confident136 Ų13670.1 Ų70.151%0.51335%0.347SS..Hα-helixtrans-57.9-34.1177.8-174.9-179.8-61.7178.5-0.8113.5R80 R151 L152R80-R84 WeakPolarHBondContact O-CB 3.26Å; R80-R84 PolarHBondContact O-N 3.15Å; R84-R151 WeakPolarHBondContact O-CA 3.38Å; R84-L152 PolarHBondContact O-N 2.98Å
85I91.5Very high88.9Confident38 Ų3866.5 Ų66.520%0.19533%0.331CS..Hα-helixtrans-75.9-30.3175-66.8168.3000110.8R81 L82 V83 V87 R109 V149R81-I85 HydrophobicContact CG-CD1 4.38Å; R81-I85 WeakPolarHBondContact O-CG1 3.31Å; R81-I85 PolarHBondContact O-N 3.38Å; L82-I85 PolarHBondContact O-N 3.27Å; V83-I85 PolarHBondContact O-N 2.81Å; V83-I85 VanDerWaalsContact O-N 3.15Å; I85-V87 HydrophobicContact CB-CG2 4.25Å; I85-V87 HydrophobicContact CG2-CG2 3.7Å; I85-R109 HydrophobicContact CG2-CB 4.13Å; I85-R109 HydrophobicContact CG2-CG 4.17Å; I85-R109 PolarHBondContact O-NE 2.94Å; I85-R109 PolarHBondContact O-NH2 3Å; I85-V149 HydrophobicContact CB-CG1 4.44Å; I85-V149 HydrophobicContact CG1-CG1 4.34Å; I85-V149 HydrophobicContact CG2-CG1 3.32Å
86G89.1Confident88.8Confident21 Ų2170.8 Ų70.822%0.21635%0.353CS..THydrogen-bonded Turntrans89.125-175.200000113.4L82 V83 R109L82-G86 PolarHBondContact O-N 2.64Å; V83-G86 WeakPolarHBondContact O-CA 3.32Å; V83-G86 PolarHBondContact O-N 2.92Å; G86-R109 WeakPolarHBondContact O-CD 3.43Å
87V90.6Very high88.7Confident16 Ų1672.5 Ų72.510%0.09736%0.355CS..SBendtrans-80.6-32.2172.9178.40000110.7L82 I85 L101 D105 F106 R109L82-V87 HydrophobicContact CD2-CB 4.29Å; L82-V87 HydrophobicContact CD2-CG1 4.4Å; L82-V87 PolarHBondContact O-N 3.46Å; L82-V87 VanDerWaalsContact O-N 3.09Å; I85-V87 HydrophobicContact CB-CG2 4.25Å; I85-V87 HydrophobicContact CG2-CG2 3.7Å; V87-L101 HydrophobicContact CG1-CD1 3.95Å; V87-L101 HydrophobicContact CG1-CD2 3.81Å; V87-L101 HydrophobicContact CG1-CG 4.45Å; V87-D105 HydrophobicContact CG1-CB 3.85Å; V87-F106 HydrophobicContact CG1-CD2 4.08Å; V87-F106 HydrophobicContact CG1-CE1 4.44Å; V87-F106 HydrophobicContact CG1-CE2 3.73Å; V87-F106 HydrophobicContact CG1-CZ 3.93Å; V87-F106 HydrophobicContact CG2-CD1 3.94Å; V87-F106 HydrophobicContact CG2-CE1 3.88Å; V87-F106 HydrophobicContact CG2-CG 4.3Å; V87-F106 HydrophobicContact CG2-CZ 4.19Å; V87-R109 HydrophobicContact CG2-CG 4.2Å
88L88.3Confident88.5Confident12 Ų1270.5 Ų70.56%0.06334%0.338CS..SBendtrans-117.5141.5179.1-16963.5000108.7L79 L82 V83 K92L79-L88 HydrophobicContact CD2-CD2 3.72Å; L82-L88 HydrophobicContact CB-CB 4.18Å; V83-L88 HydrophobicContact CG2-CB 4.36Å; L88-K92 HydrophobicContact CD1-CB 3.81Å; L88-K92 WeakPolarHBondContact CD2-O 3.45Å; L88-K92 HydrophobicContact CG-CB 4.27Å
89D86.4Confident88.4Confident106 Ų10672.6 Ų72.657%0.56735%0.349SS*.  trans-79.6154.1176.5-171.628.4000111.5G91 K92D89-G91 PolarHBondContact O-N 3.45Å; D89-K92 PolarHBondContact O-N 2.91Å; D89-K92 VanDerWaalsContact O-N 3.07Å
90E82.5Confident88.4Confident134 Ų13474.6 Ų74.663%0.62637%0.373SS*.G310 helixtrans-64.9-29.3-176.7-67.8-178.9-172.700112.2V83 K92 M93V83-E90 HydrophobicContact CG1-CG 3.96Å; E90-K92 PolarHBondContact O-N 2.89Å; E90-M93 HydrophobicContact CB-CE 4.16Å; E90-M93 HydrophobicContact CG-CE 4.3Å; E90-M93 WeakPolarHBondContact O-CG 3.33Å
91G82.6Confident88.3Confident71 Ų7166.9 Ų66.973%0.73235%0.345SS*.G310 helixtrans-73.2-10.9175.200000114.8D89D89-G91 PolarHBondContact O-N 3.45Å
92K82.4Confident88.4Confident105 Ų10565.5 Ų65.546%0.45734%0.343SS..G310 helixtrans-113.238.3-173.4-63.7-177.3-177.4172.50112.8L88 D89 E90 K94 Y97L88-K92 HydrophobicContact CD1-CB 3.81Å; L88-K92 WeakPolarHBondContact CD2-O 3.45Å; L88-K92 HydrophobicContact CG-CB 4.27Å; D89-K92 PolarHBondContact O-N 2.91Å; D89-K92 VanDerWaalsContact O-N 3.07Å; E90-K92 PolarHBondContact O-N 2.89Å; K92-K94 PolarHBondContact O-N 3.46Å; K92-Y97 HydrophobicContact CB-CD2 3.78Å; K92-Y97 HydrophobicContact CB-CE2 4.12Å; K92-Y97 HydrophobicContact CB-CG 4.06Å; K92-Y97 HydrophobicContact CD-CD1 4.42Å; K92-Y97 HydrophobicContact CG-CD2 4.42Å; K92-Y97 HydrophobicContact CG-CE2 4.38Å; K92-Y97 WeakPolarHBondContact O-CD2 3.49Å
93M82.2Confident88.4Confident104 Ų10466.4 Ų66.451%0.51235%0.349SS..  trans-76.351.9180-66.7-166.2-163.900114.1V83 E90V83-M93 HydrophobicContact CG1-CE 4.33Å; V83-M93 HydrophobicContact CG2-CE 4.21Å; V83-M93 HydrophobicContact CG2-CG 4.4Å; E90-M93 HydrophobicContact CB-CE 4.16Å; E90-M93 HydrophobicContact CG-CE 4.3Å; E90-M93 WeakPolarHBondContact O-CG 3.33Å
94K87.1Confident88.3Confident131 Ų13168.8 Ų68.857%0.5736%0.359SS*.SBendtrans-120.1147.6169-62.6-174.2177.8-176.40110.4K92 D96 Y97K92-K94 PolarHBondContact O-N 3.46Å; K94-D96 PolarHBondContact O-N 3.15Å; K94-Y97 HydrophobicContact CB-CD2 3.78Å; K94-Y97 HydrophobicContact CB-CE2 3.99Å; K94-Y97 HydrophobicContact CD-CE2 4.31Å; K94-Y97 HydrophobicContact CG-CE2 4.29Å; K94-Y97 PolarHBondContact O-N 3.27Å
95L84.5Confident88.3Confident15 Ų1564.8 Ų64.88%0.07935%0.348CS..Hα-helixtrans-62.5-29.7-179.5-70.7177.2000112.5L61 L62 R71 L79 Y97 I98L61-L95 HydrophobicContact CB-CD1 4.15Å; L62-L95 HydrophobicContact CD2-CB 3.76Å; L62-L95 HydrophobicContact CD2-CD1 4.36Å; L62-L95 HydrophobicContact CG-CB 4.14Å; R71-L95 HydrophobicContact CG-CD1 4.34Å; L79-L95 HydrophobicContact CD1-CD2 4.18Å; L79-L95 HydrophobicContact CD2-CD2 4.48Å; L79-L95 HydrophobicContact CG-CD2 4.09Å; L95-Y97 VanDerWaalsContact C-N 3.29Å; L95-Y97 PolarHBondContact O-N 2.98Å; L95-I98 HydrophobicContact CD2-CD1 3.76Å; L95-I98 VanDerWaalsContact O-CB 3.26Å; L95-I98 WeakPolarHBondContact O-CB 3.45Å; L95-I98 WeakPolarHBondContact O-CG1 3.44Å; L95-I98 PolarHBondContact O-N 3.31Å; L95-I98 VanDerWaalsContact O-N 3.09Å
96D89.4Confident88.3Confident91 Ų9164.1 Ų64.149%0.48734%0.344SS..Hα-helixtrans-62.2-36.4-179.2-52.8-56000112.5L62 K94 I98 L99L62-D96 WeakPolarHBondContact CD2-OD1 3.25Å; K94-D96 PolarHBondContact O-N 3.15Å; D96-I98 PolarHBondContact O-N 3.17Å; D96-L99 WeakPolarHBondContact O-CB 3Å; D96-L99 PolarHBondContact O-N 3.08Å
97Y89.9Confident88.5Confident111 Ų11163.1 Ų63.144%0.43533%0.333SS..Hα-helixtrans-65.3-23.8178.2-66.8-64.2000112.8K92 K94 L95 L99 G100K92-Y97 HydrophobicContact CB-CD2 3.78Å; K92-Y97 HydrophobicContact CB-CE2 4.12Å; K92-Y97 HydrophobicContact CB-CG 4.06Å; K92-Y97 HydrophobicContact CD-CD1 4.42Å; K92-Y97 HydrophobicContact CG-CD2 4.42Å; K92-Y97 HydrophobicContact CG-CE2 4.38Å; K92-Y97 WeakPolarHBondContact O-CD2 3.49Å; K94-Y97 HydrophobicContact CB-CD2 3.78Å; K94-Y97 HydrophobicContact CB-CE2 3.99Å; K94-Y97 HydrophobicContact CD-CE2 4.31Å; K94-Y97 HydrophobicContact CG-CE2 4.29Å; K94-Y97 PolarHBondContact O-N 3.27Å; L95-Y97 VanDerWaalsContact C-N 3.29Å; L95-Y97 PolarHBondContact O-N 2.98Å; Y97-L99 PolarHBondContact O-N 3.16Å; Y97-G100 PolarHBondContact O-N 3.24Å; Y97-G100 VanDerWaalsContact O-N 3.16Å
98I89.6Confident88.5Confident0 Ų065.7 Ų65.70%034%0.344CS..Hα-helixtrans-64.1-33.8175.1-56179.9000110.6I54 A58 L78 L79 L82 L95 D96 G100 L101I54-I98 HydrophobicContact CG2-CG2 3.49Å; I54-I98 VanDerWaalsContact CG2-CG2 3.49Å; A58-I98 HydrophobicContact CB-CB 4.16Å; A58-I98 HydrophobicContact CB-CD1 4.48Å; A58-I98 HydrophobicContact CB-CG2 3.93Å; L78-I98 HydrophobicContact CD2-CD1 3.66Å; L78-I98 HydrophobicContact CG-CD1 4Å; L79-I98 HydrophobicContact CD2-CD1 3.8Å; L79-I98 HydrophobicContact CD2-CG1 4.12Å; L79-I98 HydrophobicContact CG-CD1 4.36Å; L82-I98 HydrophobicContact CD1-CD1 3.8Å; L82-I98 HydrophobicContact CD1-CG1 3.82Å; L82-I98 HydrophobicContact CD1-CG2 4.1Å; L95-I98 HydrophobicContact CD2-CD1 3.76Å; L95-I98 VanDerWaalsContact O-CB 3.26Å; L95-I98 WeakPolarHBondContact O-CB 3.45Å; L95-I98 WeakPolarHBondContact O-CG1 3.44Å; L95-I98 PolarHBondContact O-N 3.31Å; L95-I98 VanDerWaalsContact O-N 3.09Å; D96-I98 PolarHBondContact O-N 3.17Å; I98-G100 VanDerWaalsContact C-N 3.27Å; I98-G100 PolarHBondContact O-N 3.41Å; I98-L101 HydrophobicContact CG2-CD1 4.1Å; I98-L101 WeakPolarHBondContact O-CG 3.3Å; I98-L101 PolarHBondContact O-N 3.15Å
99L89.6Confident88.8Confident64 Ų6466 Ų6634%0.33535%0.345SS..Hα-helixtrans-66.7-31.8177.3-59-177.8000111.5R55 A58 R59 L62 D96 Y97 L101R55-L99 PolarHBondContact NE-O 3.24Å; R55-L99 PolarHBondContact NH2-O 3.29Å; A58-L99 HydrophobicContact CB-CD2 4.19Å; R59-L99 HydrophobicContact CG-CD2 3.74Å; L62-L99 HydrophobicContact CD1-CD1 3.66Å; L62-L99 HydrophobicContact CD1-CG 4.16Å; D96-L99 WeakPolarHBondContact O-CB 3Å; D96-L99 PolarHBondContact O-N 3.08Å; Y97-L99 PolarHBondContact O-N 3.16Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L99-L101 PolarHBondContact O-N 2.93Å
100G90.6Very high89.2Confident55 Ų5561.4 Ų61.457%0.56732%0.319SS*.Hα-helixtrans-76.7-10.5178.200000115.7Y97 I98 K102Y97-G100 PolarHBondContact O-N 3.24Å; Y97-G100 VanDerWaalsContact O-N 3.16Å; I98-G100 VanDerWaalsContact C-N 3.27Å; I98-G100 PolarHBondContact O-N 3.41Å; G100-K102 PolarHBondContact O-N 2.99Å
101L91.4Very high89.8Confident9 Ų955 Ų555%0.04729%0.289CS..  trans-60.5135-175.4-68.7177.7000113R55 L82 V87 I98 L99 F106R55-L101 VanDerWaalsContact CZ-O 3.24Å; R55-L101 PolarHBondContact NH2-O 3.32Å; L82-L101 HydrophobicContact CD1-CD1 4.14Å; L82-L101 HydrophobicContact CD2-CD1 4.38Å; V87-L101 HydrophobicContact CG1-CD1 3.95Å; V87-L101 HydrophobicContact CG1-CD2 3.81Å; V87-L101 HydrophobicContact CG1-CG 4.45Å; I98-L101 HydrophobicContact CG2-CD1 4.1Å; I98-L101 WeakPolarHBondContact O-CG 3.3Å; I98-L101 PolarHBondContact O-N 3.15Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L99-L101 PolarHBondContact O-N 2.93Å; L101-F106 HydrophobicContact CD1-CE2 4.27Å
102K92.1Very high90.3Very high138 Ų13851.6 Ų51.660%0.625%0.254SS*.  trans-101.4174.6177.8-51-176.6177.4173.90111.2L51 G100 E104 D105L51-K102 VanDerWaalsContact CD1-O 3.31Å; L51-K102 WeakPolarHBondContact CD1-O 3.46Å; G100-K102 PolarHBondContact O-N 2.99Å; K102-E104 VanDerWaalsContact C-N 3.3Å; K102-E104 WeakPolarHBondContact CB-OE2 3.1Å; K102-D105 PolarHBondContact N-OD2 2.93Å
103V91.4Very high90.9Very high22 Ų2246.9 Ų46.913%0.13323%0.234CC..Hα-helixtrans-73.7-32.9-177.6177.40000110.1L31 V47 K48 L51 D105 F106 L107L31-V103 HydrophobicContact CD1-CG1 4.49Å; V47-V103 HydrophobicContact CB-CG1 4.31Å; V47-V103 HydrophobicContact CG1-CG1 3.86Å; K48-V103 HydrophobicContact CG-CG2 3.94Å; L51-V103 HydrophobicContact CD1-CG2 4.21Å; V103-D105 VanDerWaalsContact C-N 3.34Å; V103-D105 PolarHBondContact O-N 2.75Å; V103-F106 PolarHBondContact O-N 3.12Å; V103-L107 HydrophobicContact CG1-CD1 4.02Å; V103-L107 HydrophobicContact CG1-CG 4.3Å; V103-L107 WeakPolarHBondContact O-CG 3.48Å; V103-L107 PolarHBondContact O-N 3.27Å
104E91.5Very high91.5Very high65 Ų6542.2 Ų42.230%0.30421%0.211SC..Hα-helixtrans-56.1-46.8178.5-63.677.5-169.400110.6L31 K102 F106 L107 E108L31-E104 HydrophobicContact CD2-CG 4.06Å; K102-E104 VanDerWaalsContact C-N 3.3Å; K102-E104 WeakPolarHBondContact CB-OE2 3.1Å; E104-F106 PolarHBondContact O-N 3.35Å; E104-L107 CarbonylContact O-C 3.57Å; E104-L107 WeakPolarHBondContact O-CA 3.23Å; E104-L107 PolarHBondContact O-N 2.85Å; E104-E108 VanDerWaalsContact O-CG 3.25Å; E104-E108 WeakPolarHBondContact O-CG 3.42Å; E104-E108 PolarHBondContact O-N 2.94Å
105D91.9Very high91.8Very high53 Ų5336 Ų3628%0.28318%0.184SC..Hα-helixtrans-53.8-35.6-179.4-52.4-35000112.6V87 K102 V103 R109V87-D105 HydrophobicContact CG1-CB 3.85Å; K102-D105 PolarHBondContact N-OD2 2.93Å; V103-D105 VanDerWaalsContact C-N 3.34Å; V103-D105 PolarHBondContact O-N 2.75Å; D105-R109 WeakPolarHBondContact O-CG 3.48Å
106F91.6Very high92.3Very high24 Ų2439 Ų3911%0.10520%0.197CC..Hα-helixtrans-81.3-33.7175.9-77.4-90.7000113.1V47 L51 I54 L82 V87 L101 V103 E104 E108 R109V47-F106 HydrophobicContact CG1-CB 3.5Å; V47-F106 VanDerWaalsContact CG1-CB 3.5Å; V47-F106 HydrophobicContact CG1-CG 4.16Å; L51-F106 HydrophobicContact CD1-CD2 4.23Å; L51-F106 HydrophobicContact CD1-CE2 4.25Å; L51-F106 HydrophobicContact CG-CE2 4.25Å; I54-F106 HydrophobicContact CD1-CE1 3.99Å; I54-F106 HydrophobicContact CD1-CZ 3.64Å; L82-F106 HydrophobicContact CD2-CE1 4.36Å; L82-F106 HydrophobicContact CD2-CZ 3.88Å; V87-F106 HydrophobicContact CG1-CD2 4.08Å; V87-F106 HydrophobicContact CG1-CE1 4.44Å; V87-F106 HydrophobicContact CG1-CE2 3.73Å; V87-F106 HydrophobicContact CG1-CZ 3.93Å; V87-F106 HydrophobicContact CG2-CD1 3.94Å; V87-F106 HydrophobicContact CG2-CE1 3.88Å; V87-F106 HydrophobicContact CG2-CG 4.3Å; V87-F106 HydrophobicContact CG2-CZ 4.19Å; L101-F106 HydrophobicContact CD1-CE2 4.27Å; V103-F106 PolarHBondContact O-N 3.12Å; E104-F106 PolarHBondContact O-N 3.35Å; F106-E108 VanDerWaalsContact C-N 3.32Å; F106-R109 PolarHBondContact O-N 3.41Å
107L92.1Very high92.4Very high0 Ų040.3 Ų40.30%020%0.198CC..Hα-helixtrans-70.6-31177.8-68.1176.7000111.6L31 Y36 L38 V47 V103 E104 R109 R110 T113L31-L107 HydrophobicContact CD2-CD1 4.23Å; Y36-L107 HydrophobicContact CD1-CB 3.43Å; Y36-L107 VanDerWaalsContact CD1-CB 3.43Å; Y36-L107 HydrophobicContact CD1-CD1 4.42Å; Y36-L107 HydrophobicContact CD1-CG 4.48Å; Y36-L107 HydrophobicContact CD2-CB 4.28Å; Y36-L107 HydrophobicContact CD2-CD1 3.82Å; Y36-L107 HydrophobicContact CE1-CB 3.51Å; Y36-L107 HydrophobicContact CE2-CB 4.33Å; Y36-L107 HydrophobicContact CE2-CD1 4.15Å; Y36-L107 HydrophobicContact CG-CB 3.87Å; Y36-L107 HydrophobicContact CG-CD1 4Å; Y36-L107 HydrophobicContact CG-CG 4.49Å; L38-L107 HydrophobicContact CD1-CD1 4.43Å; L38-L107 HydrophobicContact CD1-CD2 4.27Å; L38-L107 HydrophobicContact CD2-CD2 4.27Å; V47-L107 HydrophobicContact CG2-CD2 3.94Å; V103-L107 HydrophobicContact CG1-CD1 4.02Å; V103-L107 HydrophobicContact CG1-CG 4.3Å; V103-L107 WeakPolarHBondContact O-CG 3.48Å; V103-L107 PolarHBondContact O-N 3.27Å; E104-L107 CarbonylContact O-C 3.57Å; E104-L107 WeakPolarHBondContact O-CA 3.23Å; E104-L107 PolarHBondContact O-N 2.85Å; L107-R109 PolarHBondContact O-N 3.45Å; L107-R110 WeakPolarHBondContact O-CB 3.47Å; L107-R110 PolarHBondContact O-N 2.92Å; L107-T113 PolarHBondContact O-OG1 3.38Å
108E92.3Very high92.5Very high70 Ų7039 Ų3933%0.32720%0.198SC..Hα-helixtrans-62.4-30.6174-64.5-138.3136.300112.9Y36 E104 F106 R110 T113 Q114 K117Y36-E108 HydrophobicContact CE1-CG 4.2Å; E104-E108 VanDerWaalsContact O-CG 3.25Å; E104-E108 WeakPolarHBondContact O-CG 3.42Å; E104-E108 PolarHBondContact O-N 2.94Å; F106-E108 VanDerWaalsContact C-N 3.32Å; E108-R110 VanDerWaalsContact C-N 3.29Å; E108-R110 PolarHBondContact O-N 3.4Å; E108-T113 PolarHBondContact O-OG1 3.22Å; E108-T113 VanDerWaalsContact O-OG1 3.08Å; E108-Q114 PolarHBondContact O-NE2 3.32Å; E108-K117 IonicContact OE1-NZ 2.94Å; E108-K117 PolarHBondContact OE1-NZ 3.25Å; E108-K117 IonicContact OE2-NZ 3.84Å; E108-K117 PolarHBondContact OE2-NZ 3.32Å
109R94.4Very high92.7Very high19 Ų1941.9 Ų41.97%0.07223%0.228CC..THydrogen-bonded Turntrans-852.8-178-58.1-52.5-57.61726.8113.9I85 G86 V87 D105 F106 L107 V149 V150I85-R109 HydrophobicContact CG2-CB 4.13Å; I85-R109 HydrophobicContact CG2-CG 4.17Å; I85-R109 PolarHBondContact O-NE 2.94Å; I85-R109 PolarHBondContact O-NH2 3Å; G86-R109 WeakPolarHBondContact O-CD 3.43Å; V87-R109 HydrophobicContact CG2-CG 4.2Å; D105-R109 WeakPolarHBondContact O-CG 3.48Å; F106-R109 PolarHBondContact O-N 3.41Å; L107-R109 PolarHBondContact O-N 3.45Å; R109-V149 HydrophobicContact CB-CG1 4.27Å; R109-V150 PolarHBondContact NE-O 3.46Å; R109-V150 PolarHBondContact NH2-O 2.86Å; R109-V150 PolarHBondContact O-N 3.39Å
110R94.8Very high92.7Very high8 Ų840.8 Ų40.83%0.0322%0.222CC..BIsolated β-bridgetrans-73.6144.7176.6-66.8175.874.2-116.20.8110.3E43 L107 E108 Q112 T113 Q114 F148E43-R110 IonicContact OE2-CZ 2.75Å; E43-R110 IonicContact OE2-NH2 3.59Å; E43-R110 PolarHBondContact OE2-NH2 2.87Å; L107-R110 WeakPolarHBondContact O-CB 3.47Å; L107-R110 PolarHBondContact O-N 2.92Å; E108-R110 VanDerWaalsContact C-N 3.29Å; E108-R110 PolarHBondContact O-N 3.4Å; R110-Q112 PolarHBondContact O-N 2.85Å; R110-Q112 VanDerWaalsContact O-N 3.15Å; R110-T113 PolarHBondContact O-N 3.1Å; R110-T113 VanDerWaalsContact O-N 3.1Å; R110-T113 PolarHBondContact O-OG1 2.78Å; R110-Q114 WeakPolarHBondContact O-CG 3.32Å; R110-Q114 PolarHBondContact O-N 3.2Å; R110-F148 CarbonylContact C-O 3.5Å; R110-F148 WeakPolarHBondContact CA-O 3.36Å
111L94.5Very high92.8Very high0 Ų038.4 Ų38.40%020%0.197CC..Hα-helixtrans-56-36.6177.7-176.263.7000111.5T113 Q114 V115 I131 V138 V143 F148 V150 I158L111-T113 PolarHBondContact O-N 3.15Å; L111-Q114 PolarHBondContact O-N 3Å; L111-V115 HydrophobicContact CD1-CG2 4.01Å; L111-V115 HydrophobicContact CG-CG2 4.17Å; L111-V115 WeakPolarHBondContact O-CB 3.49Å; L111-V115 WeakPolarHBondContact O-CG2 3.23Å; L111-V115 PolarHBondContact O-N 3.34Å; L111-I131 HydrophobicContact CB-CD1 4.28Å; L111-I131 HydrophobicContact CD2-CD1 4.09Å; L111-I131 HydrophobicContact CD2-CG1 4.25Å; L111-I131 HydrophobicContact CD2-CG2 4.23Å; L111-I131 HydrophobicContact CG-CD1 3.84Å; L111-I131 HydrophobicContact CG-CG1 4.39Å; L111-V138 HydrophobicContact CD1-CG2 3.82Å; L111-V138 HydrophobicContact CD2-CG2 4.38Å; L111-V143 HydrophobicContact CD2-CB 3.88Å; L111-V143 HydrophobicContact CD2-CG1 3.63Å; L111-F148 HydrophobicContact CB-CB 4.05Å; L111-F148 HydrophobicContact CB-CD1 4.24Å; L111-F148 HydrophobicContact CD2-CB 4.34Å; L111-F148 HydrophobicContact CD2-CD1 4.36Å; L111-F148 PolarHBondContact N-O 3.06Å; L111-V150 HydrophobicContact CB-CG2 3.98Å; L111-V150 HydrophobicContact CD1-CG2 3.76Å; L111-V150 HydrophobicContact CG-CG2 4.5Å; L111-I158 HydrophobicContact CD1-CD1 4.02Å; L111-I158 HydrophobicContact CD1-CG1 4.37Å; L111-I158 HydrophobicContact CD1-CG2 4.33Å
112Q94Very high92.8Very high0 Ų047.3 Ų47.30%024%0.236CC..Hα-helixtrans-55.2-48.4176.4-173.8179.5-6.100113.3Y36 G37 R110 F116 I124 A127 R128 I131 P146Y36-Q112 PolarHBondContact O-NE2 2.76Å; G37-Q112 PolarHBondContact O-NE2 3.45Å; R110-Q112 PolarHBondContact O-N 2.85Å; R110-Q112 VanDerWaalsContact O-N 3.15Å; Q112-F116 PolarHBondContact O-N 3.23Å; Q112-I124 HydrophobicContact CG-CG2 4.02Å; Q112-I124 PolarHBondContact NE2-O 3.34Å; Q112-A127 HydrophobicContact CG-CB 4.48Å; Q112-A127 WeakPolarHBondContact O-CB 3.34Å; Q112-R128 HydrophobicContact CG-CB 4.39Å; Q112-I131 HydrophobicContact CB-CD1 4.29Å; Q112-P146 HydrophobicContact CB-CB 4.13Å; Q112-P146 PolarHBondContact N-O 2.86Å
113T93.9Very high92.8Very high5 Ų543 Ų433%0.03122%0.223CC..Hα-helixtrans-78.8-36.1-178.739.20000112.1Y36 L107 E108 R110 L111 V115 F116 K117Y36-T113 HydrophobicContact CD1-CG2 3.41Å; Y36-T113 VanDerWaalsContact CD1-CG2 3.41Å; Y36-T113 HydrophobicContact CE1-CG2 4.02Å; Y36-T113 HydrophobicContact CG-CG2 4.39Å; L107-T113 PolarHBondContact O-OG1 3.38Å; E108-T113 PolarHBondContact O-OG1 3.22Å; E108-T113 VanDerWaalsContact O-OG1 3.08Å; R110-T113 PolarHBondContact O-N 3.1Å; R110-T113 VanDerWaalsContact O-N 3.1Å; R110-T113 PolarHBondContact O-OG1 2.78Å; L111-T113 PolarHBondContact O-N 3.15Å; T113-V115 VanDerWaalsContact C-N 3.34Å; T113-V115 PolarHBondContact O-N 3.1Å; T113-F116 PolarHBondContact O-N 3.32Å; T113-K117 WeakPolarHBondContact O-CB 3.33Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 2.88Å
114Q94.1Very high92.9Very high6 Ų643 Ų433%0.02822%0.222CC..Hα-helixtrans-60.4-43.4174.4-68.3-65.5-37.500111.8E108 R110 L111 F116 K117 L118 V150 Q155 I158E108-Q114 PolarHBondContact O-NE2 3.32Å; R110-Q114 WeakPolarHBondContact O-CG 3.32Å; R110-Q114 PolarHBondContact O-N 3.2Å; L111-Q114 PolarHBondContact O-N 3Å; Q114-F116 VanDerWaalsContact C-N 3.31Å; Q114-F116 PolarHBondContact O-N 3.14Å; Q114-K117 PolarHBondContact O-N 3.34Å; Q114-L118 WeakPolarHBondContact O-CB 3.1Å; Q114-L118 VanDerWaalsContact O-CG 3.24Å; Q114-L118 WeakPolarHBondContact O-CG 3.36Å; Q114-L118 PolarHBondContact O-N 2.97Å; Q114-V150 HydrophobicContact CB-CG2 4.39Å; Q114-V150 HydrophobicContact CG-CB 4.2Å; Q114-V150 HydrophobicContact CG-CG2 4.17Å; Q114-Q155 VanDerWaalsContact OE1-CD 3.25Å; Q114-I158 HydrophobicContact CB-CD1 4.02Å
115V94.4Very high92.9Very high0 Ų044.9 Ų44.90%023%0.231CC..Hα-helixtrans-61.8-38.9176.2165.80000112.1L111 T113 L120 A121 A127 I131 I136 I158L111-V115 HydrophobicContact CD1-CG2 4.01Å; L111-V115 HydrophobicContact CG-CG2 4.17Å; L111-V115 WeakPolarHBondContact O-CB 3.49Å; L111-V115 WeakPolarHBondContact O-CG2 3.23Å; L111-V115 PolarHBondContact O-N 3.34Å; T113-V115 VanDerWaalsContact C-N 3.34Å; T113-V115 PolarHBondContact O-N 3.1Å; V115-L120 HydrophobicContact CG1-CB 3.97Å; V115-L120 PolarHBondContact O-N 3.37Å; V115-A121 HydrophobicContact CG1-CB 4.1Å; V115-A127 HydrophobicContact CB-CB 4.21Å; V115-A127 HydrophobicContact CG1-CB 3.76Å; V115-I131 HydrophobicContact CG2-CD1 4.37Å; V115-I136 HydrophobicContact CB-CD1 4.05Å; V115-I136 HydrophobicContact CG1-CD1 3.35Å; V115-I136 HydrophobicContact CG2-CD1 3.48Å; V115-I136 VanDerWaalsContact CG2-CD1 3.48Å; V115-I136 HydrophobicContact CG2-CG2 4.03Å; V115-I158 HydrophobicContact CG2-CG2 3.96Å
116F93.9Very high93Very high80 Ų8045.8 Ų45.835%0.35123%0.233SC..Hα-helixtrans-69.6-46.7176.3175.4-109.9000111.8Q112 T113 Q114 L118 G119 A121 I124Q112-F116 PolarHBondContact O-N 3.23Å; T113-F116 PolarHBondContact O-N 3.32Å; Q114-F116 VanDerWaalsContact C-N 3.31Å; Q114-F116 PolarHBondContact O-N 3.14Å; F116-L118 VanDerWaalsContact C-N 3.26Å; F116-L118 PolarHBondContact O-N 2.92Å; F116-G119 PolarHBondContact O-N 3.34Å; F116-A121 WeakPolarHBondContact CD2-O 3.5Å; F116-I124 HydrophobicContact CB-CG1 4.06Å; F116-I124 HydrophobicContact CD1-CD1 3.96Å; F116-I124 HydrophobicContact CD1-CG1 3.51Å; F116-I124 HydrophobicContact CD2-CG1 3.99Å; F116-I124 HydrophobicContact CE1-CD1 4.12Å; F116-I124 HydrophobicContact CE1-CG1 3.88Å; F116-I124 HydrophobicContact CE2-CG1 4.33Å; F116-I124 HydrophobicContact CG-CD1 4.49Å; F116-I124 HydrophobicContact CG-CG1 3.56Å; F116-I124 HydrophobicContact CZ-CG1 4.28Å
117K92.8Very high93.2Very high118 Ų11844.7 Ų44.751%0.51323%0.228SC..Hα-helixtrans-62-31.8177.6-72.9-169.8179.2-168.90112.4E108 T113 Q114 G119E108-K117 IonicContact OE1-NZ 2.94Å; E108-K117 PolarHBondContact OE1-NZ 3.25Å; E108-K117 IonicContact OE2-NZ 3.84Å; E108-K117 PolarHBondContact OE2-NZ 3.32Å; T113-K117 WeakPolarHBondContact O-CB 3.33Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 2.88Å; Q114-K117 PolarHBondContact O-N 3.34Å; K117-G119 PolarHBondContact O-N 2.89Å
118L92.6Very high93.3Very high82 Ų8247 Ų4743%0.42924%0.237SC..THydrogen-bonded Turntrans-77.3-2174.7-70.9172000113.9Q114 F116 L120 I158Q114-L118 WeakPolarHBondContact O-CB 3.1Å; Q114-L118 VanDerWaalsContact O-CG 3.24Å; Q114-L118 WeakPolarHBondContact O-CG 3.36Å; Q114-L118 PolarHBondContact O-N 2.97Å; F116-L118 VanDerWaalsContact C-N 3.26Å; F116-L118 PolarHBondContact O-N 2.92Å; L118-L120 VanDerWaalsContact C-N 3.25Å; L118-L120 HydrophobicContact CB-CG 4.32Å; L118-L120 PolarHBondContact O-N 3.45Å; L118-I158 HydrophobicContact CD1-CB 3.79Å; L118-I158 HydrophobicContact CD1-CD1 3.98Å; L118-I158 HydrophobicContact CD1-CG1 4.43Å; L118-I158 HydrophobicContact CD1-CG2 4.06Å
119G92.1Very high93.4Very high61 Ų6146.9 Ų46.963%0.62924%0.241SC*.THydrogen-bonded Turntrans764.3178.300000115.4F116 K117 A121F116-G119 PolarHBondContact O-N 3.34Å; K117-G119 PolarHBondContact O-N 2.89Å; G119-A121 PolarHBondContact O-N 3.11Å
120L90.2Very high93.4Very high41 Ų4146.1 Ų46.122%0.21524%0.238CC..SBendtrans-68-18.2178-63.9174.9000112.9V115 L118 I158 F160V115-L120 HydrophobicContact CG1-CB 3.97Å; V115-L120 PolarHBondContact O-N 3.37Å; L118-L120 VanDerWaalsContact C-N 3.25Å; L118-L120 HydrophobicContact CB-CG 4.32Å; L118-L120 PolarHBondContact O-N 3.45Å; L120-I158 HydrophobicContact CD1-CG2 3.88Å; L120-F160 HydrophobicContact CB-CE2 4.48Å; L120-F160 HydrophobicContact CB-CZ 4.41Å; L120-F160 HydrophobicContact CD2-CD2 4.22Å; L120-F160 HydrophobicContact CD2-CE2 3.87Å
121A92.6Very high93.4Very high6 Ų645.8 Ų45.85%0.0524%0.237CC..SBendtrans-134.5140.517800000110.8V115 F116 G119 S123 H126 A127 L130V115-A121 HydrophobicContact CG1-CB 4.1Å; F116-A121 WeakPolarHBondContact CD2-O 3.5Å; G119-A121 PolarHBondContact O-N 3.11Å; A121-S123 VanDerWaalsContact C-N 3.27Å; A121-S123 PolarHBondContact O-N 3.45Å; A121-H126 HydrophobicContact CB-CB 4.39Å; A121-A127 HydrophobicContact CB-CB 3.74Å; A121-L130 HydrophobicContact CB-CD1 4.03Å
122K91.9Very high93.4Very high195 Ų19552.9 Ų52.985%0.84826%0.264SS*.SBendtrans-67.1-23.7178.1-59.6-174.8178.2-173.90114.5
123S92.9Very high93.3Very high49 Ų4958.2 Ų58.234%0.34329%0.289SS..SBendtrans-150.9157.6-176.6171.30000109.9A121 H125 H126 A127A121-S123 VanDerWaalsContact C-N 3.27Å; A121-S123 PolarHBondContact O-N 3.45Å; S123-H125 VanDerWaalsContact C-N 3.26Å; S123-H125 PolarHBondContact O-N 3.37Å; S123-H125 PolarHBondContact OG-N 3.5Å; S123-H126 WeakPolarHBondContact O-CA 3.4Å; S123-H126 WeakPolarHBondContact O-CB 2.86Å; S123-H126 PolarHBondContact O-N 3.03Å; S123-H126 VanDerWaalsContact O-N 3.11Å; S123-A127 PolarHBondContact O-N 3.01Å
124I92.2Very high93.3Very high21 Ų2165.8 Ų65.811%0.10832%0.317CS..Hα-helixtrans-64.1-32.6177.9-59.1179.7000111.8E35 Y36 Q112 F116 R128E35-I124 WeakPolarHBondContact O-CD1 3.12Å; Y36-I124 VanDerWaalsContact C-CG2 3.47Å; Y36-I124 WeakPolarHBondContact O-CG2 3.47Å; Q112-I124 HydrophobicContact CG-CG2 4.02Å; Q112-I124 PolarHBondContact NE2-O 3.34Å; F116-I124 HydrophobicContact CB-CG1 4.06Å; F116-I124 HydrophobicContact CD1-CD1 3.96Å; F116-I124 HydrophobicContact CD1-CG1 3.51Å; F116-I124 HydrophobicContact CD2-CG1 3.99Å; F116-I124 HydrophobicContact CE1-CD1 4.12Å; F116-I124 HydrophobicContact CE1-CG1 3.88Å; F116-I124 HydrophobicContact CE2-CG1 4.33Å; F116-I124 HydrophobicContact CG-CD1 4.49Å; F116-I124 HydrophobicContact CG-CG1 3.56Å; F116-I124 HydrophobicContact CZ-CG1 4.28Å; I124-R128 PolarHBondContact O-N 3.37Å
125H92.7Very high93.3Very high105 Ų10566.8 Ų66.849%0.48632%0.321SS..Hα-helixtrans-70.9-38.8173.5-60.4-64.9000111.3S123 R128 V129S123-H125 VanDerWaalsContact C-N 3.26Å; S123-H125 PolarHBondContact O-N 3.37Å; S123-H125 PolarHBondContact OG-N 3.5Å; H125-R128 WeakPolarHBondContact O-CB 3.45Å; H125-R128 PolarHBondContact O-N 2.98Å; H125-V129 WeakPolarHBondContact O-CG2 3.43Å; H125-V129 PolarHBondContact O-N 3.28Å
126H93.7Very high93.3Very high72 Ų7266.8 Ų66.833%0.33332%0.321SS..Hα-helixtrans-62.9-44.1174.2-175.1-168.3000111A121 S123 R128 V129 L130A121-H126 HydrophobicContact CB-CB 4.39Å; S123-H126 WeakPolarHBondContact O-CA 3.4Å; S123-H126 WeakPolarHBondContact O-CB 2.86Å; S123-H126 PolarHBondContact O-N 3.03Å; S123-H126 VanDerWaalsContact O-N 3.11Å; H126-R128 VanDerWaalsContact C-N 3.27Å; H126-R128 PolarHBondContact O-N 3.44Å; H126-V129 PolarHBondContact O-N 3.24Å; H126-V129 VanDerWaalsContact O-N 3.14Å; H126-L130 WeakPolarHBondContact O-CG 3.47Å; H126-L130 PolarHBondContact O-N 2.84Å
127A94.5Very high93.3Very high0 Ų065.6 Ų65.60%031%0.314CS..Hα-helixtrans-55.3-43.1174.500000111.8Q112 V115 A121 S123 V129 L130 I131Q112-A127 HydrophobicContact CG-CB 4.48Å; Q112-A127 WeakPolarHBondContact O-CB 3.34Å; V115-A127 HydrophobicContact CB-CB 4.21Å; V115-A127 HydrophobicContact CG1-CB 3.76Å; A121-A127 HydrophobicContact CB-CB 3.74Å; S123-A127 PolarHBondContact O-N 3.01Å; A127-V129 PolarHBondContact O-N 3.2Å; A127-L130 PolarHBondContact O-N 3.25Å; A127-I131 VanDerWaalsContact O-CG1 3.23Å; A127-I131 WeakPolarHBondContact O-CG1 3.36Å; A127-I131 PolarHBondContact O-N 2.87Å
128R94Very high93.4Very high49 Ų4960.5 Ų60.519%0.18529%0.293CS..Hα-helixtrans-61.5-43.2178.7-165175.2-175.2111-0.3112.3G37 E43 Q112 I124 H125 H126 R132 P146G37-R128 PolarHBondContact O-NH1 3.34Å; E43-R128 IonicContact OE1-CZ 3.51Å; E43-R128 IonicContact OE1-NH1 2.76Å; E43-R128 PolarHBondContact OE1-NH1 3.14Å; E43-R128 IonicContact OE1-NH2 3.53Å; E43-R128 PolarHBondContact OE1-NH2 3.18Å; E43-R128 IonicContact OE2-NH1 3.99Å; E43-R128 IonicContact OE2-NH2 3.85Å; Q112-R128 HydrophobicContact CG-CB 4.39Å; I124-R128 PolarHBondContact O-N 3.37Å; H125-R128 WeakPolarHBondContact O-CB 3.45Å; H125-R128 PolarHBondContact O-N 2.98Å; H126-R128 VanDerWaalsContact C-N 3.27Å; H126-R128 PolarHBondContact O-N 3.44Å; R128-R132 WeakPolarHBondContact O-CB 3.45Å; R128-R132 VanDerWaalsContact O-CG 3.3Å; R128-R132 WeakPolarHBondContact O-CG 3.3Å; R128-R132 PolarHBondContact O-N 3.38Å; R128-P146 HydrophobicContact CG-CB 4.15Å; R128-P146 HydrophobicContact CG-CG 3.76Å
129V94.4Very high93.4Very high68 Ų6862.4 Ų62.441%0.41230%0.295SS..Hα-helixtrans-65.3-46.8178.7175.60000110.3H125 H126 A127 I131 R132 Q133H125-V129 WeakPolarHBondContact O-CG2 3.43Å; H125-V129 PolarHBondContact O-N 3.28Å; H126-V129 PolarHBondContact O-N 3.24Å; H126-V129 VanDerWaalsContact O-N 3.14Å; A127-V129 PolarHBondContact O-N 3.2Å; V129-I131 VanDerWaalsContact C-N 3.34Å; V129-I131 PolarHBondContact O-N 3.17Å; V129-R132 PolarHBondContact O-N 3.22Å; V129-R132 VanDerWaalsContact O-N 3.17Å; V129-Q133 VanDerWaalsContact CG1-CD 3.49Å; V129-Q133 HydrophobicContact CG1-CG 4.18Å; V129-Q133 WeakPolarHBondContact O-CB 3.47Å; V129-Q133 WeakPolarHBondContact O-CG 3.47Å; V129-Q133 PolarHBondContact O-N 2.7Å
130L94.5Very high93.3Very high3 Ų369.1 Ų69.12%0.01631%0.307CS..Hα-helixtrans-58.4-43.9178.6-71.6173.2000112.5A121 H126 A127 Q133 R134 H135 I136 F160 Y166A121-L130 HydrophobicContact CB-CD1 4.03Å; H126-L130 WeakPolarHBondContact O-CG 3.47Å; H126-L130 PolarHBondContact O-N 2.84Å; A127-L130 PolarHBondContact O-N 3.25Å; L130-Q133 PolarHBondContact O-N 3.47Å; L130-R134 PolarHBondContact O-N 3.37Å; L130-H135 HydrophobicContact CB-CB 4.44Å; L130-H135 HydrophobicContact CD2-CB 4.22Å; L130-H135 WeakPolarHBondContact O-CB 3.36Å; L130-H135 PolarHBondContact O-N 3.33Å; L130-I136 HydrophobicContact CB-CD1 4.01Å; L130-I136 HydrophobicContact CB-CG1 4.2Å; L130-F160 HydrophobicContact CD1-CE1 4.31Å; L130-Y166 HydrophobicContact CD2-CD2 4.28Å; L130-Y166 HydrophobicContact CD2-CE2 3.95Å
131I94.9Very high93.5Very high0 Ų073.6 Ų73.60%033%0.326CS..Hα-helixtrans-61.4-51.4175.6-66.3166.7000110L111 Q112 V115 A127 V129 Q133 R134 I136 N144 P146L111-I131 HydrophobicContact CB-CD1 4.28Å; L111-I131 HydrophobicContact CD2-CD1 4.09Å; L111-I131 HydrophobicContact CD2-CG1 4.25Å; L111-I131 HydrophobicContact CD2-CG2 4.23Å; L111-I131 HydrophobicContact CG-CD1 3.84Å; L111-I131 HydrophobicContact CG-CG1 4.39Å; Q112-I131 HydrophobicContact CB-CD1 4.29Å; V115-I131 HydrophobicContact CG2-CD1 4.37Å; A127-I131 VanDerWaalsContact O-CG1 3.23Å; A127-I131 WeakPolarHBondContact O-CG1 3.36Å; A127-I131 PolarHBondContact O-N 2.87Å; V129-I131 VanDerWaalsContact C-N 3.34Å; V129-I131 PolarHBondContact O-N 3.17Å; I131-Q133 VanDerWaalsContact C-N 3.28Å; I131-Q133 PolarHBondContact O-N 3.05Å; I131-R134 PolarHBondContact O-N 2.76Å; I131-I136 HydrophobicContact CG1-CB 4.35Å; I131-I136 HydrophobicContact CG1-CD1 3.64Å; I131-I136 HydrophobicContact CG1-CG1 4.23Å; I131-N144 WeakPolarHBondContact O-CA 3.37Å; I131-P146 HydrophobicContact CB-CG 4.4Å; I131-P146 HydrophobicContact CD1-CB 4.4Å; I131-P146 HydrophobicContact CG2-CG 4.05Å
132R94.9Very high93.5Very high150 Ų15075.6 Ų75.657%0.56634%0.338SS*.Hα-helixtrans-62.4-35.5-177.4-74.9-67-61.9163.1-2.7112.8R128 V129 R134 N144 P146R128-R132 WeakPolarHBondContact O-CB 3.45Å; R128-R132 VanDerWaalsContact O-CG 3.3Å; R128-R132 WeakPolarHBondContact O-CG 3.3Å; R128-R132 PolarHBondContact O-N 3.38Å; V129-R132 PolarHBondContact O-N 3.22Å; V129-R132 VanDerWaalsContact O-N 3.17Å; R132-R134 PolarHBondContact O-N 3.37Å; R132-N144 WeakPolarHBondContact CD-O 3.46Å; R132-P146 HydrophobicContact CG-CG 4.1Å
133Q93.3Very high93.7Very high111 Ų11167.1 Ų67.152%0.51930%0.303SS..THydrogen-bonded Turntrans-78.95.3176.4-70176.8-12.400113.7V129 L130 I131 H135V129-Q133 VanDerWaalsContact CG1-CD 3.49Å; V129-Q133 HydrophobicContact CG1-CG 4.18Å; V129-Q133 WeakPolarHBondContact O-CB 3.47Å; V129-Q133 WeakPolarHBondContact O-CG 3.47Å; V129-Q133 PolarHBondContact O-N 2.7Å; L130-Q133 PolarHBondContact O-N 3.47Å; I131-Q133 VanDerWaalsContact C-N 3.28Å; I131-Q133 PolarHBondContact O-N 3.05Å; Q133-H135 VanDerWaalsContact CB-CD2 3.45Å; Q133-H135 WeakPolarHBondContact CB-CD2 3.34Å; Q133-H135 PolarHBondContact OE1-NE2 3.06Å
134R93.1Very high93.8Very high164 Ų16467.4 Ų67.462%0.61930%0.3SS*.THydrogen-bonded Turntrans6830.4174.8-51.1-178.1178.3-139.62.7114L130 I131 R132 V142 N144L130-R134 PolarHBondContact O-N 3.37Å; I131-R134 PolarHBondContact O-N 2.76Å; R132-R134 PolarHBondContact O-N 3.37Å; R134-V142 HydrophobicContact CB-CG1 3.83Å; R134-N144 HydrophobicContact CG-CB 4.17Å
135H93.3Very high93.9Very high28 Ų2871 Ų7113%0.1332%0.318CS..  trans-84.7-19.3177.4-65.5-57.7000113.5L130 Q133 F160 S161 S164 Y166L130-H135 HydrophobicContact CB-CB 4.44Å; L130-H135 HydrophobicContact CD2-CB 4.22Å; L130-H135 WeakPolarHBondContact O-CB 3.36Å; L130-H135 PolarHBondContact O-N 3.33Å; Q133-H135 VanDerWaalsContact CB-CD2 3.45Å; Q133-H135 WeakPolarHBondContact CB-CD2 3.34Å; Q133-H135 PolarHBondContact OE1-NE2 3.06Å; H135-F160 HydrophobicContact CB-CD1 4.35Å; H135-F160 CarbonylContact O-C 3.54Å; H135-F160 WeakPolarHBondContact O-CA 3.24Å; H135-S161 PolarHBondContact O-N 3.06Å; H135-S164 PolarHBondContact ND1-OG 2.85Å; H135-Y166 HydrophobicContact CB-CD2 4.46Å; H135-Y166 AromaticContact ND1-CD2 3.92Å
136I94.9Very high93.9Very high0 Ų066.4 Ų66.40%030%0.298CS..EExtended strand (participates in β ladder)trans-107.2137.1-172.1-54.4-165.8000110.8V115 L130 I131 V143 I158V115-I136 HydrophobicContact CB-CD1 4.05Å; V115-I136 HydrophobicContact CG1-CD1 3.35Å; V115-I136 HydrophobicContact CG2-CD1 3.48Å; V115-I136 VanDerWaalsContact CG2-CD1 3.48Å; V115-I136 HydrophobicContact CG2-CG2 4.03Å; L130-I136 HydrophobicContact CB-CD1 4.01Å; L130-I136 HydrophobicContact CB-CG1 4.2Å; I131-I136 HydrophobicContact CG1-CB 4.35Å; I131-I136 HydrophobicContact CG1-CD1 3.64Å; I131-I136 HydrophobicContact CG1-CG1 4.23Å; I136-V143 PolarHBondContact O-N 3.24Å; I136-V143 VanDerWaalsContact O-N 3.15Å; I136-I158 HydrophobicContact CG2-CG2 4.07Å
137R94.3Very high93.9Very high54 Ų5464.8 Ų64.820%0.20430%0.295CS..EExtended strand (participates in β ladder)trans-117.7154.2171.763.4174.7177.1132.7-0.6111.1R139 Q141 D159 F160R137-R139 WeakPolarHBondContact CD-O 3.5Å; R137-R139 PolarHBondContact NH1-O 3.39Å; R137-Q141 CarbonylContact C-O 3.56Å; R137-Q141 WeakPolarHBondContact CA-O 3.46Å; R137-Q141 WeakPolarHBondContact CB-O 3.48Å; R137-D159 WeakPolarHBondContact CG-O 3.09Å; R137-D159 PolarHBondContact N-O 3.41Å; R137-D159 IonicContact NH2-OD2 3.35Å; R137-D159 PolarHBondContact NH2-OD2 3.39Å; R137-D159 PolarHBondContact O-N 3.5Å; R137-F160 PolarHBondContact NE-O 2.92Å
138V94.3Very high93.9Very high12 Ų1268.6 Ų68.67%0.07331%0.312CS..EExtended strand (participates in β ladder)trans-116.6115.5166.3-176.60000106.2L111 K140 Q141 V143 F148 I158L111-V138 HydrophobicContact CD1-CG2 3.82Å; L111-V138 HydrophobicContact CD2-CG2 4.38Å; V138-K140 PolarHBondContact O-N 3.34Å; V138-Q141 PolarHBondContact N-O 2.95Å; V138-Q141 PolarHBondContact O-N 3.13Å; V138-Q141 VanDerWaalsContact O-N 3.14Å; V138-V143 HydrophobicContact CB-CG2 4.11Å; V138-V143 HydrophobicContact CG2-CB 4.39Å; V138-V143 HydrophobicContact CG2-CG2 3.83Å; V138-F148 HydrophobicContact CG1-CE1 4.39Å; V138-F148 HydrophobicContact CG2-CD1 4.42Å; V138-F148 HydrophobicContact CG2-CE1 4.11Å; V138-I158 HydrophobicContact CG2-CG1 4.42Å
139R92.1Very high93.9Very high122 Ų12269.3 Ų69.346%0.4632%0.322SS..THydrogen-bonded Turntrans57-111.7-168-63.4177.9175.1-115.2-4.3111.8R137 D153 S154 H157R137-R139 WeakPolarHBondContact CD-O 3.5Å; R137-R139 PolarHBondContact NH1-O 3.39Å; R139-D153 PolarHBondContact NH2-O 2.82Å; R139-S154 PolarHBondContact NE-OG 2.97Å; R139-H157 HydrophobicContact CB-CB 4.29Å; R139-H157 HydrophobicContact CG-CB 3.51Å; R139-H157 PolarHBondContact N-O 2.93Å
140K91Very high93.8Very high202 Ų20266.1 Ų66.188%0.87830%0.302SS*.THydrogen-bonded Turntrans-98.2-13-179.5-63.4-175.3179.3-177.60112.7V138V138-K140 PolarHBondContact O-N 3.34Å
141Q93.2Very high93.8Very high134 Ų13472.3 Ų72.363%0.62633%0.325SS*.EExtended strand (participates in β ladder)trans-102.1132.3-170.5-177.157.841.300111.6R137 V138R137-Q141 CarbonylContact C-O 3.56Å; R137-Q141 WeakPolarHBondContact CA-O 3.46Å; R137-Q141 WeakPolarHBondContact CB-O 3.48Å; V138-Q141 PolarHBondContact N-O 2.95Å; V138-Q141 PolarHBondContact O-N 3.13Å; V138-Q141 VanDerWaalsContact O-N 3.14Å
142V93.7Very high93.7Very high48 Ų4875.2 Ų75.229%0.29134%0.341SS..EExtended strand (participates in β ladder)trans-74.8128.8171.3-178.90000109.5R134 S161R134-V142 HydrophobicContact CB-CG1 3.83Å; V142-S161 WeakPolarHBondContact CG2-OG 3.38Å
143V95.1Very high93.5Very high18 Ų1873 Ų7311%0.10934%0.34CS..  trans-116.4124.3-178.7-179.20000109.1L111 I136 V138 F148L111-V143 HydrophobicContact CD2-CB 3.88Å; L111-V143 HydrophobicContact CD2-CG1 3.63Å; I136-V143 PolarHBondContact O-N 3.24Å; I136-V143 VanDerWaalsContact O-N 3.15Å; V138-V143 HydrophobicContact CB-CG2 4.11Å; V138-V143 HydrophobicContact CG2-CB 4.39Å; V138-V143 HydrophobicContact CG2-CG2 3.83Å; V143-F148 HydrophobicContact CG1-CB 3.86Å; V143-F148 HydrophobicContact CG1-CD1 4.29Å; V143-F148 HydrophobicContact CG1-CD2 4.37Å; V143-F148 HydrophobicContact CG1-CG 3.93Å
144N95Very high93.5Very high54 Ų5468.8 Ų68.829%0.28932%0.322SS..  trans-111.210.5-176.568.4-19000114.2I131 R132 R134I131-N144 WeakPolarHBondContact O-CA 3.37Å; R132-N144 WeakPolarHBondContact CD-O 3.46Å; R134-N144 HydrophobicContact CG-CB 4.17Å
145I94.4Very high93.4Very high96 Ų9663.5 Ų63.549%0.49231%0.305SS..  trans-110.5111.5-179.1-60.3173.9000109S147 F148I145-S147 PolarHBondContact O-N 3.42Å; I145-F148 VanDerWaalsContact O-CB 3.26Å; I145-F148 WeakPolarHBondContact O-CB 3.44Å; I145-F148 PolarHBondContact O-N 3.25Å; I145-F148 VanDerWaalsContact O-N 3.1Å
146P94.1Very high93.4Very high9 Ų971.5 Ų71.56%0.05834%0.339CS..THydrogen-bonded Turntrans-62.5-26.8178.3-24.333.9000114.1Q112 R128 I131 R132 F148Q112-P146 HydrophobicContact CB-CB 4.13Å; Q112-P146 PolarHBondContact N-O 2.86Å; R128-P146 HydrophobicContact CG-CB 4.15Å; R128-P146 HydrophobicContact CG-CG 3.76Å; I131-P146 HydrophobicContact CB-CG 4.4Å; I131-P146 HydrophobicContact CD1-CB 4.4Å; I131-P146 HydrophobicContact CG2-CG 4.05Å; R132-P146 HydrophobicContact CG-CG 4.1Å; P146-F148 PolarHBondContact O-N 3.08Å
147S93.2Very high93.3Very high39 Ų3975.5 Ų75.527%0.27336%0.358SS..THydrogen-bonded Turntrans-78.85.1177.3-175.20000113.8I145 V149I145-S147 PolarHBondContact O-N 3.42Å; S147-V149 PolarHBondContact O-N 3.33Å
148F94.2Very high93.2Very high80 Ų8073.6 Ų73.635%0.35135%0.352SS..PPolyproline II helixtrans-62.2129.6176.3179-105000110R110 L111 V138 V143 I145 P146 V150R110-F148 CarbonylContact C-O 3.5Å; R110-F148 WeakPolarHBondContact CA-O 3.36Å; L111-F148 HydrophobicContact CB-CB 4.05Å; L111-F148 HydrophobicContact CB-CD1 4.24Å; L111-F148 HydrophobicContact CD2-CB 4.34Å; L111-F148 HydrophobicContact CD2-CD1 4.36Å; L111-F148 PolarHBondContact N-O 3.06Å; V138-F148 HydrophobicContact CG1-CE1 4.39Å; V138-F148 HydrophobicContact CG2-CD1 4.42Å; V138-F148 HydrophobicContact CG2-CE1 4.11Å; V143-F148 HydrophobicContact CG1-CB 3.86Å; V143-F148 HydrophobicContact CG1-CD1 4.29Å; V143-F148 HydrophobicContact CG1-CD2 4.37Å; V143-F148 HydrophobicContact CG1-CG 3.93Å; I145-F148 VanDerWaalsContact O-CB 3.26Å; I145-F148 WeakPolarHBondContact O-CB 3.44Å; I145-F148 PolarHBondContact O-N 3.25Å; I145-F148 VanDerWaalsContact O-N 3.1Å; P146-F148 PolarHBondContact O-N 3.08Å; F148-V150 HydrophobicContact CD1-CG2 4.04Å; F148-V150 HydrophobicContact CE1-CG2 4.29Å
149V93.9Very high93.2Very high64 Ų6476.3 Ų76.339%0.38837%0.366SS..BIsolated β-bridgetrans-90.2116.2-179.9177.60000108.5I85 R109 S147I85-V149 HydrophobicContact CB-CG1 4.44Å; I85-V149 HydrophobicContact CG1-CG1 4.34Å; I85-V149 HydrophobicContact CG2-CG1 3.32Å; R109-V149 HydrophobicContact CB-CG1 4.27Å; S147-V149 PolarHBondContact O-N 3.33Å
150V93.7Very high93.2Very high0 Ų072.4 Ų72.40%035%0.352CS..PPolyproline II helixtrans-84.3120.7-175.8179.70000109.6R109 L111 Q114 F148 Q155 I158R109-V150 PolarHBondContact NE-O 3.46Å; R109-V150 PolarHBondContact NH2-O 2.86Å; R109-V150 PolarHBondContact O-N 3.39Å; L111-V150 HydrophobicContact CB-CG2 3.98Å; L111-V150 HydrophobicContact CD1-CG2 3.76Å; L111-V150 HydrophobicContact CG-CG2 4.5Å; Q114-V150 HydrophobicContact CB-CG2 4.39Å; Q114-V150 HydrophobicContact CG-CB 4.2Å; Q114-V150 HydrophobicContact CG-CG2 4.17Å; F148-V150 HydrophobicContact CD1-CG2 4.04Å; F148-V150 HydrophobicContact CE1-CG2 4.29Å; V150-Q155 HydrophobicContact CG1-CB 4.05Å; V150-I158 HydrophobicContact CG1-CD1 3.8Å; V150-I158 HydrophobicContact CG2-CD1 4.12Å
151R93.6Very high93.3Very high133 Ų13363.2 Ų63.250%0.50231%0.314SS..PPolyproline II helixtrans-71.2150.3170.2-61.8-178.8-179.9175.71.5110.8R84 D153 S154 Q155R84-R151 WeakPolarHBondContact O-CA 3.38Å; R151-D153 VanDerWaalsContact C-N 3.31Å; R151-D153 PolarHBondContact O-N 3.29Å; R151-S154 PolarHBondContact O-N 3.19Å; R151-Q155 PolarHBondContact O-N 3.4Å; R151-Q155 VanDerWaalsContact O-N 3.15Å
152L91.6Very high93Very high62 Ų6262.7 Ų62.733%0.32531%0.314SS..Hα-helixtrans-52.9-47.8178.9-70.8172.1000112V83 R84 S154 Q155V83-L152 WeakPolarHBondContact O-CD1 3.4Å; R84-L152 PolarHBondContact O-N 2.98Å; L152-S154 PolarHBondContact O-N 3.19Å; L152-S154 VanDerWaalsContact O-N 3.11Å; L152-Q155 VanDerWaalsContact O-CB 3.25Å; L152-Q155 WeakPolarHBondContact O-CB 3.34Å; L152-Q155 PolarHBondContact O-N 3.03Å
153D92.2Very high92.7Very high103 Ų10371.3 Ų71.355%0.55134%0.341SS*.Hα-helixtrans-61.3-25.7-179.7-43-29000114.1R139 R151 H157R139-D153 PolarHBondContact NH2-O 2.82Å; R151-D153 VanDerWaalsContact C-N 3.31Å; R151-D153 PolarHBondContact O-N 3.29Å; D153-H157 PolarHBondContact O-CE1 3.27Å; D153-H157 PolarHBondContact O-ND1 3.5Å; D153-H157 VanDerWaalsContact O-ND1 3.07Å
154S92.9Very high92.3Very high22 Ų2270.7 Ų70.715%0.15434%0.338CS..Hα-helixtrans-95.3-11.1-178.6-71.20000112.7R139 R151 L152 K156 H157R139-S154 PolarHBondContact NE-OG 2.97Å; R151-S154 PolarHBondContact O-N 3.19Å; L152-S154 PolarHBondContact O-N 3.19Å; L152-S154 VanDerWaalsContact O-N 3.11Å; S154-K156 PolarHBondContact O-N 3.4Å; S154-H157 PolarHBondContact O-N 3.22Å; S154-H157 VanDerWaalsContact O-N 3.13Å
155Q91.1Very high91.9Very high54 Ų5470.8 Ų70.825%0.25234%0.342SS..Hα-helixtrans-63.3-41.1-176.7-174176.3-28.200112.2Q114 V150 R151 L152 H157 I158Q114-Q155 VanDerWaalsContact OE1-CD 3.25Å; V150-Q155 HydrophobicContact CG1-CB 4.05Å; R151-Q155 PolarHBondContact O-N 3.4Å; R151-Q155 VanDerWaalsContact O-N 3.15Å; L152-Q155 VanDerWaalsContact O-CB 3.25Å; L152-Q155 WeakPolarHBondContact O-CB 3.34Å; L152-Q155 PolarHBondContact O-N 3.03Å; Q155-H157 PolarHBondContact O-N 3.44Å; Q155-H157 VanDerWaalsContact O-N 3.17Å; Q155-I158 WeakPolarHBondContact O-CG1 3.23Å; Q155-I158 PolarHBondContact O-N 2.86Å
156K92.1Very high91.4Very high195 Ų19573.2 Ų73.285%0.84835%0.346SS*.THydrogen-bonded Turntrans-64-18.4176.7-60.1-177.7-178.1-178.60113.6S154S154-K156 PolarHBondContact O-N 3.4Å
157H92.8Very high90.9Very high85 Ų8574 Ų7439%0.39436%0.356SS..THydrogen-bonded Turntrans-106.124.6-173.5-54.996.5000112R139 D153 S154 Q155R139-H157 HydrophobicContact CB-CB 4.29Å; R139-H157 HydrophobicContact CG-CB 3.51Å; R139-H157 PolarHBondContact N-O 2.93Å; D153-H157 PolarHBondContact O-CE1 3.27Å; D153-H157 PolarHBondContact O-ND1 3.5Å; D153-H157 VanDerWaalsContact O-ND1 3.07Å; S154-H157 PolarHBondContact O-N 3.22Å; S154-H157 VanDerWaalsContact O-N 3.13Å; Q155-H157 PolarHBondContact O-N 3.44Å; Q155-H157 VanDerWaalsContact O-N 3.17Å
158I94.1Very high90.5Very high14 Ų1475.9 Ų75.97%0.07238%0.381CS..EExtended strand (participates in β ladder)trans-91.1121.3173.5-61.1172.7000107.8L111 Q114 V115 L118 L120 I136 V138 V150 Q155L111-I158 HydrophobicContact CD1-CD1 4.02Å; L111-I158 HydrophobicContact CD1-CG1 4.37Å; L111-I158 HydrophobicContact CD1-CG2 4.33Å; Q114-I158 HydrophobicContact CB-CD1 4.02Å; V115-I158 HydrophobicContact CG2-CG2 3.96Å; L118-I158 HydrophobicContact CD1-CB 3.79Å; L118-I158 HydrophobicContact CD1-CD1 3.98Å; L118-I158 HydrophobicContact CD1-CG1 4.43Å; L118-I158 HydrophobicContact CD1-CG2 4.06Å; L120-I158 HydrophobicContact CD1-CG2 3.88Å; I136-I158 HydrophobicContact CG2-CG2 4.07Å; V138-I158 HydrophobicContact CG2-CG1 4.42Å; V150-I158 HydrophobicContact CG1-CD1 3.8Å; V150-I158 HydrophobicContact CG2-CD1 4.12Å; Q155-I158 WeakPolarHBondContact O-CG1 3.23Å; Q155-I158 PolarHBondContact O-N 2.86Å
159D93.3Very high90.1Very high69 Ų6972.9 Ų72.937%0.36937%0.373SS..EExtended strand (participates in β ladder)trans-156.4172.9-179.1-170.717.1000110R137R137-D159 WeakPolarHBondContact CG-O 3.09Å; R137-D159 PolarHBondContact N-O 3.41Å; R137-D159 IonicContact NH2-OD2 3.35Å; R137-D159 PolarHBondContact NH2-OD2 3.39Å; R137-D159 PolarHBondContact O-N 3.5Å
160F93.1Very high89.7Confident39 Ų3978.2 Ų78.217%0.17139%0.386CS..EExtended strand (participates in β ladder)trans-61.8145.9167-70.2-70.7000111.1L120 L130 H135 R137 Y166L120-F160 HydrophobicContact CB-CE2 4.48Å; L120-F160 HydrophobicContact CB-CZ 4.41Å; L120-F160 HydrophobicContact CD2-CD2 4.22Å; L120-F160 HydrophobicContact CD2-CE2 3.87Å; L130-F160 HydrophobicContact CD1-CE1 4.31Å; H135-F160 HydrophobicContact CB-CD1 4.35Å; H135-F160 CarbonylContact O-C 3.54Å; H135-F160 WeakPolarHBondContact O-CA 3.24Å; R137-F160 PolarHBondContact NE-O 2.92Å; F160-Y166 HydrophobicContact CE1-CD2 4.42Å; F160-Y166 HydrophobicContact CE1-CG 4.37Å
161S91.3Very high89.3Confident10 Ų1081.2 Ų81.27%0.0741%0.406CS..  trans-68.9136.5172.9179.50000109.7H135 V142 R163 S164H135-S161 PolarHBondContact O-N 3.06Å; V142-S161 WeakPolarHBondContact CG2-OG 3.38Å; S161-R163 PolarHBondContact O-N 3.28Å; S161-R163 VanDerWaalsContact O-N 3.11Å; S161-R163 PolarHBondContact OG-N 3.24Å; S161-S164 WeakPolarHBondContact O-CA 3.47Å; S161-S164 WeakPolarHBondContact O-CB 3.31Å; S161-S164 PolarHBondContact O-N 3.08Å
162L88.8Confident88.9Confident122 Ų12276.5 Ų76.564%0.63940%0.398SS*.THydrogen-bonded Turntrans-57.9-26.4174.5-58.2175000112.5S164 G169L162-S164 VanDerWaalsContact C-N 3.33Å; L162-G169 PolarHBondContact O-N 2.96Å
163R86.3Confident88.7Confident229 Ų22984.1 Ų84.186%0.86442%0.423SS*.THydrogen-bonded Turntrans-84.6-11.2177.7-158.9174.8173.4-170.9-1112.8S161S161-R163 PolarHBondContact O-N 3.28Å; S161-R163 VanDerWaalsContact O-N 3.11Å; S161-R163 PolarHBondContact OG-N 3.24Å
164S86.3Confident88.5Confident5 Ų584.3 Ų84.34%0.03543%0.427CS..SBendtrans-74.9143.8178179.90000110.4H135 S161 L162 Y166 G167 G169H135-S164 PolarHBondContact ND1-OG 2.85Å; S161-S164 WeakPolarHBondContact O-CA 3.47Å; S161-S164 WeakPolarHBondContact O-CB 3.31Å; S161-S164 PolarHBondContact O-N 3.08Å; L162-S164 VanDerWaalsContact C-N 3.33Å; S164-Y166 PolarHBondContact O-N 3.22Å; S164-Y166 VanDerWaalsContact O-N 3.12Å; S164-Y166 PolarHBondContact OG-N 3.09Å; S164-G167 PolarHBondContact O-N 2.94Å; S164-G169 VanDerWaalsContact O-CA 3.3Å; S164-G169 WeakPolarHBondContact O-CA 3.43Å; S164-G169 PolarHBondContact O-N 2.95Å
165P87.4Confident88.2Confident57 Ų5790.5 Ų90.537%0.3745%0.451SS..G310 helixtrans-53.3-30.7169.1-24.933.7000113.8G167P165-G167 VanDerWaalsContact C-N 3.34Å
166Y84.1Confident88Confident146 Ų14692.3 Ų92.357%0.57346%0.456SS*.G310 helixtrans-79.5-14.4177.9-59.7-65.8000114L130 H135 F160 S164L130-Y166 HydrophobicContact CD2-CD2 4.28Å; L130-Y166 HydrophobicContact CD2-CE2 3.95Å; H135-Y166 HydrophobicContact CB-CD2 4.46Å; H135-Y166 AromaticContact ND1-CD2 3.92Å; F160-Y166 HydrophobicContact CE1-CD2 4.42Å; F160-Y166 HydrophobicContact CE1-CG 4.37Å; S164-Y166 PolarHBondContact O-N 3.22Å; S164-Y166 VanDerWaalsContact O-N 3.12Å; S164-Y166 PolarHBondContact OG-N 3.09Å
167G83.6Confident87.8Confident26 Ų2689.2 Ų89.227%0.26844%0.442SS..G310 helixtrans-109.625179.400000113.1S164 P165S164-G167 PolarHBondContact O-N 2.94Å; P165-G167 VanDerWaalsContact C-N 3.34Å
168G83.5Confident87.6Confident79 Ų7989.8 Ų89.881%0.81445%0.449SS*.THydrogen-bonded Turntrans873.9-178.400000115.1
169G85.9Confident87.3Confident17 Ų1791.8 Ų91.818%0.17547%0.467CS..PPolyproline II helixtrans-75.9166.1176.400000113.7L162 S164L162-G169 PolarHBondContact O-N 2.96Å; S164-G169 VanDerWaalsContact O-CA 3.3Å; S164-G169 WeakPolarHBondContact O-CA 3.43Å; S164-G169 PolarHBondContact O-N 2.95Å
170R85.3Confident87Confident176 Ų17695.5 Ų95.566%0.66448%0.48SS*.PPolyproline II helixtrans-56.1136.7178.7-170.5179.9-171.1171.611.5111.5R176R170-R176 VanDerWaalsContact CZ-NH1 3.34Å
171P86.2Confident86.6Confident63 Ų63100.3 Ų100.341%0.40950%0.501SS..PPolyproline II helixtrans-52.2142.2173.3-28.835.4000113.2K175 R176P171-K175 HydrophobicContact CB-CD 4.32Å; P171-K175 HydrophobicContact CB-CG 4.49Å; P171-R176 HydrophobicContact CB-CG 4.18Å; P171-R176 WeakPolarHBondContact O-CD 3.42Å; P171-R176 WeakPolarHBondContact O-CG 3.43Å
172G85.3Confident85.7Confident34 Ų34102.2 Ų102.235%0.35152%0.522SS..PPolyproline II helixtrans-62.7160.7-177.500000113.8V174 K175 R176G172-V174 VanDerWaalsContact C-N 3.3Å; G172-V174 PolarHBondContact O-N 3.15Å; G172-K175 PolarHBondContact O-N 2.94Å; G172-R176 WeakPolarHBondContact O-CG 3.29Å; G172-R176 PolarHBondContact O-N 3.05Å
173R86.8Confident84.8Confident221 Ų221103.7 Ų103.783%0.83453%0.525SS*.Hα-helixtrans-51.8-44.3-176.6-176.6179.4179.8169.20.5113.2R176 K177R173-R176 PolarHBondContact O-N 3.45Å; R173-K177 WeakPolarHBondContact O-CB 3.42Å; R173-K177 PolarHBondContact O-N 3.07Å
174V88Confident83.4Confident107 Ų10795.9 Ų95.965%0.64852%0.517SS*.Hα-helixtrans-65.1-48.9-178.9176.80000111.2G172 R176 K177 N178G172-V174 VanDerWaalsContact C-N 3.3Å; G172-V174 PolarHBondContact O-N 3.15Å; V174-R176 VanDerWaalsContact C-N 3.28Å; V174-R176 PolarHBondContact O-N 3.22Å; V174-K177 PolarHBondContact O-N 2.72Å; V174-K177 VanDerWaalsContact O-N 3.12Å; V174-N178 PolarHBondContact O-N 2.98Å; V174-N178 PolarHBondContact O-OD1 3.4Å
175K86.4Confident81.7Confident152 Ų15298.8 Ų98.866%0.66155%0.547SS*.Hα-helixtrans-59.4-40.7176.7-172.3168.6-179.6177.50111.4P171 G172 N178 A179P171-K175 HydrophobicContact CB-CD 4.32Å; P171-K175 HydrophobicContact CB-CG 4.49Å; G172-K175 PolarHBondContact O-N 2.94Å; K175-N178 PolarHBondContact O-N 3.45Å; K175-A179 WeakPolarHBondContact O-CB 3.49Å; K175-A179 PolarHBondContact O-N 3.35Å
176R87.3Confident79.8Confident93 Ų93100.3 Ų100.335%0.35156%0.564SS.*Hα-helixtrans-65.3-40.3174.7-70.4177.458.1-148-7.8113.1R170 P171 G172 R173 V174 K180R170-R176 VanDerWaalsContact CZ-NH1 3.34Å; P171-R176 HydrophobicContact CB-CG 4.18Å; P171-R176 WeakPolarHBondContact O-CD 3.42Å; P171-R176 WeakPolarHBondContact O-CG 3.43Å; G172-R176 WeakPolarHBondContact O-CG 3.29Å; G172-R176 PolarHBondContact O-N 3.05Å; R173-R176 PolarHBondContact O-N 3.45Å; V174-R176 VanDerWaalsContact C-N 3.28Å; V174-R176 PolarHBondContact O-N 3.22Å; R176-K180 WeakPolarHBondContact O-CG 3.29Å; R176-K180 PolarHBondContact O-N 2.9Å; R176-K180 VanDerWaalsContact O-N 3.11Å
177K89Confident77.8Confident129 Ų12996.8 Ų96.856%0.56157%0.573SS**Hα-helixtrans-65.3-42.2176.6-173.3179.9179.5-178.10110.9R173 V174 K180 K181R173-K177 WeakPolarHBondContact O-CB 3.42Å; R173-K177 PolarHBondContact O-N 3.07Å; V174-K177 PolarHBondContact O-N 2.72Å; V174-K177 VanDerWaalsContact O-N 3.12Å; K177-K180 PolarHBondContact O-N 3.47Å; K177-K181 PolarHBondContact O-N 2.9Å
178N88.6Confident75.8Confident98 Ų9899.1 Ų99.152%0.52460%0.597SS.*Hα-helixtrans-68-40.8178.6-68.51.8000111.8V174 K175 K180 K181 G182V174-N178 PolarHBondContact O-N 2.98Å; V174-N178 PolarHBondContact O-OD1 3.4Å; K175-N178 PolarHBondContact O-N 3.45Å; N178-K180 VanDerWaalsContact C-N 3.34Å; N178-K180 PolarHBondContact O-N 3.45Å; N178-K181 PolarHBondContact O-N 3.42Å; N178-G182 PolarHBondContact O-N 3.11Å
179A87.7Confident73.9Confident55 Ų5599.7 Ų99.746%0.45559%0.594SS.*Hα-helixtrans-60.4-42.6174.200000112.1K175 G182 Q183K175-A179 WeakPolarHBondContact O-CB 3.49Å; K175-A179 PolarHBondContact O-N 3.35Å; A179-G182 PolarHBondContact O-N 3.07Å; A179-Q183 PolarHBondContact O-N 2.95Å
180K86.5Confident71.8Confident148 Ų148106.5 Ų106.564%0.64363%0.627SS**Hα-helixtrans-63.4-40.4174.3-75.6-171.9171.7-152.40113R176 K177 N178 Q183 G184R176-K180 WeakPolarHBondContact O-CG 3.29Å; R176-K180 PolarHBondContact O-N 2.9Å; R176-K180 VanDerWaalsContact O-N 3.11Å; K177-K180 PolarHBondContact O-N 3.47Å; N178-K180 VanDerWaalsContact C-N 3.34Å; N178-K180 PolarHBondContact O-N 3.45Å; K180-Q183 PolarHBondContact O-N 2.9Å; K180-G184 PolarHBondContact O-N 3.12Å
181K84.1Confident69.9Low140 Ų140105.9 Ų105.961%0.60964%0.636SS**Hα-helixtrans-64.7-40.3175.2-78.2-172167.9-1580112.3K177 N178 Q183 G184 G185K177-K181 PolarHBondContact O-N 2.9Å; N178-K181 PolarHBondContact O-N 3.42Å; K181-Q183 VanDerWaalsContact C-N 3.34Å; K181-G184 PolarHBondContact O-N 3.49Å; K181-G185 PolarHBondContact O-N 3.44Å; K181-G185 VanDerWaalsContact O-N 3.16Å
182G73.3Confident67.8Low50 Ų50112.1 Ų112.152%0.51566%0.66SS.*Hα-helixtrans-64.8-37176.600000112.9N178 A179N178-G182 PolarHBondContact O-N 3.11Å; A179-G182 PolarHBondContact O-N 3.07Å
183Q69.5Low65.7Low152 Ų152119.7 Ų119.771%0.7169%0.686SS**Hα-helixtrans-70.6-37.1174.6-75173.1-9.400112.8A179 K180 K181 G185 A186A179-Q183 PolarHBondContact O-N 2.95Å; K180-Q183 PolarHBondContact O-N 2.9Å; K181-Q183 VanDerWaalsContact C-N 3.34Å; Q183-G185 VanDerWaalsContact C-N 3.29Å; Q183-G185 PolarHBondContact O-N 3.16Å; Q183-A186 PolarHBondContact O-N 3.38Å
184G56.8Low63.4Low66 Ų66118.2 Ų118.268%0.6869%0.689SS**Hα-helixtrans-75.1-12.1176.700000115.2K180 K181K180-G184 PolarHBondContact O-N 3.12Å; K181-G184 PolarHBondContact O-N 3.49Å
185G49.9Very low61Low66 Ų66124.5 Ų124.568%0.6872%0.719SS**THydrogen-bonded Turntrans-94.3-6.917500000114.4K181 Q183K181-G185 PolarHBondContact O-N 3.44Å; K181-G185 VanDerWaalsContact O-N 3.16Å; Q183-G185 VanDerWaalsContact C-N 3.29Å; Q183-G185 PolarHBondContact O-N 3.16Å
186A47.4Very low59.7Low88 Ų88123.2 Ų123.273%0.72772%0.722SS**SBendtrans-103.61.1-18000000113.3Q183Q183-A186 PolarHBondContact O-N 3.38Å
187G42.7Very low58.3Low73 Ų73124.7 Ų124.775%0.75374%0.741SS**SBendtrans-118.931.6-177.500000113.8
188G42Very low56.6Low75 Ų75124.5 Ų124.577%0.77375%0.751SS**SBendtrans-141.931.2-17900000113.3
189A43.3Very low54.7Low91 Ų91126.1 Ų126.175%0.75277%0.765SS**SBendtrans-143.837-178.800000112
190D42Very low52.6Low160 Ų160130.5 Ų130.586%0.85678%0.784SS**SBendtrans-149.939.6-177-120.78.2000112.6
191D44.8Very low50.3Low163 Ų163129.3 Ų129.387%0.87279%0.794SS**SBendtrans-152.841176.2-102.8-24.8000113.8
192E41.9Very low47.9Very low194 Ų194128.6 Ų128.691%0.90781%0.807SS**SBendtrans-145.657.2164.7-72.5-168.7-179.500112
193E42.4Very low46Very low192 Ų192134.6 Ų134.690%0.89783%0.829SS**  trans-151.186.8152-79-161.7176.100109.1
194E37.8Very low44Very low190 Ų190133.2 Ų133.289%0.88884%0.839SS**  trans-174.4131.9141.3-105.2174.2-174.300110.2
195D37.3Very low42.9Very low240 Ų240139.3 Ų139.3100%1.28385%0.853SS**  trans770174.9-61.8-26.8000121

Retrieved 195 of 195 residues in 42.4 ms (Link to these results)