A0A087YHT5_POEFO Loading...

Small ribosomal subunit protein uS9

Component of the small ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell.

AlphaFold DB , UniProt , Accession A0A087YHT5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 146 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
1M51.8Low73.9Confident231 Ų231111.7 Ų111.7100%1.13864%0.637SS**  0121.90-65.8-83.1179.600106.9A3M1-A3 PolarHBondContact O-N 3.11Å; M1-A3 VanDerWaalsContact O-N 3.11Å
2P52.8Low75.9Confident131 Ų131104.6 Ų104.685%0.85160%0.597SS**  trans-60.2122.3174.126.5-31.5000107.7K4P2-K4 PolarHBondContact O-N 2.91Å
3A55.3Low77.6Confident93 Ų93104.8 Ų104.877%0.76959%0.587SS**  trans-54.1134.8177.200000108.9M1 G5M1-A3 PolarHBondContact O-N 3.11Å; M1-A3 VanDerWaalsContact O-N 3.11Å; A3-G5 PolarHBondContact O-N 3.38Å
4K61.4Low79Confident209 Ų20997.4 Ų97.491%0.90955%0.545SS*.  trans-54.7111.4170.2-96.4178.3176.81710107P2P2-K4 PolarHBondContact O-N 2.91Å
5G65Low80.2Confident53 Ų5399.1 Ų99.155%0.54654%0.54SS..  trans-54.5163.4171.300000111A3 L7A3-G5 PolarHBondContact O-N 3.38Å; G5-L7 PolarHBondContact O-N 3.49Å
6P71.6Confident81.3Confident110 Ų11095.4 Ų95.471%0.71452%0.517SS*.  trans-54.2142.2-175.921.6-32.5000111.6Q8P6-Q8 VanDerWaalsContact C-N 3.29Å; P6-Q8 PolarHBondContact O-N 2.79Å
7L79.4Confident82.1Confident154 Ų15496.8 Ų96.881%0.80652%0.517SS*.  trans-66.784.5-180-73.5163.5000110.6G5 S9 Y99G5-L7 PolarHBondContact O-N 3.49Å; L7-S9 PolarHBondContact O-N 3.24Å; L7-Y99 PolarHBondContact O-OH 3.21Å
8Q88.3Confident82.9Confident51 Ų5197 Ų9724%0.23852%0.523CS..  trans-85.984.1171.4-68.4-178.3-13.800108.9P6 K26 R27 Y95 Y99P6-Q8 VanDerWaalsContact C-N 3.29Å; P6-Q8 PolarHBondContact O-N 2.79Å; Q8-K26 VanDerWaalsContact O-CA 3.29Å; Q8-K26 WeakPolarHBondContact O-CA 3.29Å; Q8-R27 HydrophobicContact CB-CB 4.36Å; Q8-R27 PolarHBondContact O-N 3.32Å; Q8-R27 VanDerWaalsContact OE1-CD 3.29Å; Q8-Y95 HydrophobicContact CB-CE2 4.43Å; Q8-Y99 HydrophobicContact CB-CD1 4.49Å; Q8-Y99 HydrophobicContact CB-CE1 4.33Å; Q8-Y99 HydrophobicContact CB-CE2 4.34Å; Q8-Y99 HydrophobicContact CG-CD1 4.03Å; Q8-Y99 HydrophobicContact CG-CE1 4Å; Q8-Y99 HydrophobicContact CG-CG 4.47Å
9S93.8Very high83.7Confident36 Ų3691.9 Ų91.925%0.25250%0.495SS..EExtended strand (participates in β ladder)trans-139.3143.9177.359.10000112.7L7 C25 Y99L7-S9 PolarHBondContact O-N 3.24Å; S9-C25 CarbonylContact C-O 3.16Å; S9-C25 WeakPolarHBondContact CA-O 3.48Å; S9-C25 WeakPolarHBondContact CB-O 3.31Å; S9-Y99 PolarHBondContact N-OH 3.03Å; S9-Y99 PolarHBondContact O-OH 3.43Å
10V96.3Very high84.4Confident21 Ų2189.8 Ų89.813%0.12749%0.486CS..EExtended strand (participates in β ladder)trans-128.7136.6172.9-170.20000109.1V12 C25 A94 Y95 K98 Y99V10-V12 HydrophobicContact CG1-CG2 3.7Å; V10-C25 PolarHBondContact N-O 2.98Å; V10-C25 PolarHBondContact O-N 3.42Å; V10-A94 HydrophobicContact CG1-CB 3.77Å; V10-Y95 HydrophobicContact CG2-CD2 4.19Å; V10-K98 HydrophobicContact CG2-CB 4.45Å; V10-K98 HydrophobicContact CG2-CD 4.12Å; V10-Y99 HydrophobicContact CG2-CD2 4.15Å; V10-Y99 HydrophobicContact CG2-CE2 3.62Å
11Q97.3Very high85Confident140 Ų14085.5 Ų85.565%0.65446%0.462SS*.EExtended strand (participates in β ladder)trans-112.5123.4173.6-168.6173.517.700109.3V22 A23Q11-V22 HydrophobicContact CG-CG1 3.71Å; Q11-V22 VanDerWaalsContact NE2-CG1 3.25Å; Q11-A23 WeakPolarHBondContact CA-O 3.32Å
12V98Very high87.2Confident26 Ų2676.9 Ų76.916%0.15842%0.423CS..EExtended strand (participates in β ladder)trans-134.6160.3-179.7-163.90000109.9V10 V22 A23 K90 A94V10-V12 HydrophobicContact CG1-CG2 3.7Å; V12-V22 WeakPolarHBondContact O-CA 3.45Å; V12-A23 PolarHBondContact N-O 2.8Å; V12-A23 PolarHBondContact O-N 2.93Å; V12-K90 HydrophobicContact CB-CB 4.39Å; V12-K90 HydrophobicContact CG1-CB 3.66Å; V12-K90 HydrophobicContact CG1-CD 4.06Å; V12-A94 HydrophobicContact CG2-CB 3.7Å
13F97.7Very high89.4Confident108 Ų10870.7 Ų70.747%0.47438%0.382SS..EExtended strand (participates in β ladder)trans-123145.1178.767.9-93.7000113.3R15 A21 K90F13-R15 HydrophobicContact CD2-CG 3.89Å; F13-R15 HydrophobicContact CE2-CG 4.26Å; F13-A21 CarbonylContact C-O 3.51Å; F13-A21 WeakPolarHBondContact CA-O 3.23Å; F13-K90 WeakPolarHBondContact O-CD 3.41Å; F13-K90 PolarHBondContact O-NZ 3.32Å
14G97.4Very high91.4Very high0 Ų069.6 Ų69.60%036%0.361CS..EExtended strand (participates in β ladder)trans-111.3145.3165.800000110.3A21G14-A21 PolarHBondContact N-O 2.95Å; G14-A21 PolarHBondContact O-N 3.16Å
15R97.1Very high93Very high123 Ų12359.6 Ų59.646%0.46432%0.318SS..EExtended strand (participates in β ladder)trans-138.4130-177.2-74.2-172.3172.2-173.1-3.6111.2F13 A19 T20 Q86 A122F13-R15 HydrophobicContact CD2-CG 3.89Å; F13-R15 HydrophobicContact CE2-CG 4.26Å; R15-A19 WeakPolarHBondContact CA-O 3.11Å; R15-T20 HydrophobicContact CG-CG2 4.08Å; R15-Q86 PolarHBondContact O-OE1 2.96Å; R15-A122 HydrophobicContact CB-CB 4.5Å
16K97.3Very high94.4Very high40 Ų4060.2 Ų60.217%0.17431%0.306CS..EExtended strand (participates in β ladder)trans-141.6123.3169.3-173.470.6168.3-175.10109.2T18 A19 A79 A83 D123K16-T18 PolarHBondContact O-N 2.82Å; K16-A19 PolarHBondContact N-O 3.18Å; K16-A19 VanDerWaalsContact N-O 3.11Å; K16-A19 VanDerWaalsContact O-CB 3.31Å; K16-A19 WeakPolarHBondContact O-CB 3.33Å; K16-A19 PolarHBondContact O-N 2.86Å; K16-A79 WeakPolarHBondContact CB-O 3.39Å; K16-A79 HydrophobicContact CG-CB 4.36Å; K16-A83 HydrophobicContact CB-CB 4.42Å; K16-D123 HydrophobicContact CD-CB 4.15Å; K16-D123 IonicContact NZ-OD2 3.95Å; K16-D123 PolarHBondContact NZ-OD2 2.83Å
17K95.8Very high95.5Very high119 Ų11963.4 Ų63.452%0.51730%0.303SS..THydrogen-bonded Turntrans49-132.3-169.6-61.8-173.3176.3-176.30109.6A19 A79 R126K17-A19 VanDerWaalsContact C-N 3.31Å; K17-A79 HydrophobicContact CB-CB 4.42Å; K17-R126 PolarHBondContact O-NH1 3.34Å; K17-R126 PolarHBondContact O-NH2 3.02Å
18T96.2Very high96.1Very high101 Ų10156.9 Ų56.962%0.6227%0.274SS*.THydrogen-bonded Turntrans-83.3-3.517750.50000113.6K16 G75K16-T18 PolarHBondContact O-N 2.82Å; T18-G75 VanDerWaalsContact OG1-CA 3.23Å; T18-G75 WeakPolarHBondContact OG1-CA 3.22Å; T18-G75 PolarHBondContact OG1-N 2.9Å
19A97.5Very high96.2Very high0 Ų061.9 Ų61.90%030%0.302CS..EExtended strand (participates in β ladder)trans-77.3131.2177.100000111R15 K16 K17 A79 Q80 A83R15-A19 WeakPolarHBondContact CA-O 3.11Å; K16-A19 PolarHBondContact N-O 3.18Å; K16-A19 VanDerWaalsContact N-O 3.11Å; K16-A19 VanDerWaalsContact O-CB 3.31Å; K16-A19 WeakPolarHBondContact O-CB 3.33Å; K16-A19 PolarHBondContact O-N 2.86Å; K17-A19 VanDerWaalsContact C-N 3.31Å; A19-A79 HydrophobicContact CB-CB 4.03Å; A19-Q80 HydrophobicContact CB-CG 3.92Å; A19-A83 HydrophobicContact CB-CB 4.18Å
20T97.7Very high96.1Very high49 Ų4961.5 Ų61.530%0.30130%0.304SS..EExtended strand (participates in β ladder)trans-123.9120.7174.760.20000109.3R15 V72 K73R15-T20 HydrophobicContact CG-CG2 4.08Å; T20-V72 WeakPolarHBondContact O-CA 3.36Å; T20-K73 PolarHBondContact N-O 3.41Å; T20-K73 PolarHBondContact O-N 3.47Å; T20-K73 PolarHBondContact OG1-O 3.46Å
21A98Very high96Very high0 Ų064.4 Ų64.40%032%0.318CS..EExtended strand (participates in β ladder)trans-109127.8173.800000108.9F13 G14 V70 R71 V72 A83 I84 A87F13-A21 CarbonylContact C-O 3.51Å; F13-A21 WeakPolarHBondContact CA-O 3.23Å; G14-A21 PolarHBondContact N-O 2.95Å; G14-A21 PolarHBondContact O-N 3.16Å; A21-V70 HydrophobicContact CB-CG1 4.09Å; A21-R71 CarbonylContact C-O 3.17Å; A21-R71 WeakPolarHBondContact CA-O 3.16Å; A21-V72 HydrophobicContact CB-CG1 4.34Å; A21-V72 HydrophobicContact CB-CG2 3.8Å; A21-A83 VanDerWaalsContact CB-C 3.48Å; A21-A83 HydrophobicContact CB-CB 3.81Å; A21-A83 WeakPolarHBondContact CB-O 3.42Å; A21-I84 HydrophobicContact CB-CG1 4.25Å; A21-A87 HydrophobicContact CB-CB 3.93Å
22V98.3Very high95.9Very high51 Ų5158.7 Ų58.731%0.30929%0.292SS..EExtended strand (participates in β ladder)trans-111.7114.7177.8-178.80000107.7Q11 V12 V70 R71Q11-V22 HydrophobicContact CG-CG1 3.71Å; Q11-V22 VanDerWaalsContact NE2-CG1 3.25Å; V12-V22 WeakPolarHBondContact O-CA 3.45Å; V22-V70 CarbonylContact O-C 3.5Å; V22-V70 WeakPolarHBondContact O-CA 3.45Å; V22-R71 PolarHBondContact N-O 3.2Å; V22-R71 PolarHBondContact O-N 3.42Å
23A97.9Very high95.7Very high0 Ų061.1 Ų61.10%030%0.3CS..EExtended strand (participates in β ladder)trans-99.6126.2177.900000109.7Q11 V12 I68 V70 A87 A91Q11-A23 WeakPolarHBondContact CA-O 3.32Å; V12-A23 PolarHBondContact N-O 2.8Å; V12-A23 PolarHBondContact O-N 2.93Å; A23-I68 HydrophobicContact CB-CG2 4.15Å; A23-V70 HydrophobicContact CB-CG2 4.07Å; A23-A87 HydrophobicContact CB-CB 3.84Å; A23-A91 HydrophobicContact CB-CB 3.84Å
24H96.9Very high95.6Very high70 Ų7056.2 Ų56.232%0.32428%0.28SS..EExtended strand (participates in β ladder)trans-107.9104.9172.1-178-80.6000108.3R69H24-R69 PolarHBondContact N-O 3.23Å; H24-R69 PolarHBondContact O-N 3.23Å
25C96.1Very high95.4Very high0 Ų060.9 Ų60.90%030%0.304CS..EExtended strand (participates in β ladder)trans-93.5132176.8-174.70000109.2S9 V10 D67 I68 A91S9-C25 CarbonylContact C-O 3.16Å; S9-C25 WeakPolarHBondContact CA-O 3.48Å; S9-C25 WeakPolarHBondContact CB-O 3.31Å; V10-C25 PolarHBondContact N-O 2.98Å; V10-C25 PolarHBondContact O-N 3.42Å; C25-D67 WeakPolarHBondContact CA-O 3.48Å; C25-I68 HydrophobicContact CB-CG1 4.28Å; C25-A91 HydrophobicContact CB-CB 4.08Å
26K94.6Very high95.2Very high66 Ų6657.9 Ų57.929%0.28731%0.312SS..EExtended strand (participates in β ladder)trans-137.1160.1174.760.9167.3-173.4138.50109.7Q8 G28 V66 D67Q8-K26 VanDerWaalsContact O-CA 3.29Å; Q8-K26 WeakPolarHBondContact O-CA 3.29Å; K26-G28 PolarHBondContact O-N 2.88Å; K26-V66 CarbonylContact O-C 3.58Å; K26-V66 VanDerWaalsContact O-CA 3.32Å; K26-V66 WeakPolarHBondContact O-CA 3.15Å; K26-D67 VanDerWaalsContact CE-OD2 3.31Å; K26-D67 WeakPolarHBondContact CE-OD2 3.47Å; K26-D67 HydrophobicContact CG-CB 3.97Å; K26-D67 PolarHBondContact N-O 2.9Å; K26-D67 IonicContact NZ-OD2 3.23Å; K26-D67 PolarHBondContact NZ-OD2 3.42Å; K26-D67 PolarHBondContact O-N 3.46Å
27R94Very high95Very high176 Ų17663.3 Ų63.366%0.66433%0.331SS*.EExtended strand (participates in β ladder)trans-57.3134.9167.8-173.2169.7176.8169.50.5110.6Q8Q8-R27 HydrophobicContact CB-CB 4.36Å; Q8-R27 PolarHBondContact O-N 3.32Å; Q8-R27 VanDerWaalsContact OE1-CD 3.29Å
28G91.8Very high94.9Very high18 Ų1859.9 Ų59.919%0.18632%0.322CS..SBendtrans-175.6-153.2-173.600000113.5K26 G65K26-G28 PolarHBondContact O-N 2.88Å; G28-G65 PolarHBondContact N-O 2.93Å; G28-G65 CarbonylContact O-C 3.43Å
29N91.3Very high94.5Very high155 Ų15556 Ų5683%0.82930%0.297SS*.SBendtrans-115.119.1-168-59.8-5.6000112.7A64 D67N29-A64 CarbonylContact C-O 3.58Å; N29-A64 WeakPolarHBondContact CA-O 3.5Å; N29-D67 PolarHBondContact N-OD1 3Å
30G91.1Very high94.1Very high29 Ų2962.5 Ų62.530%0.29933%0.327SS..SBendtrans88.316.8-179.900000115.3I32 F63 A64 V66 D67G30-I32 PolarHBondContact O-N 3.27Å; G30-F63 VanDerWaalsContact CA-O 3.23Å; G30-F63 WeakPolarHBondContact CA-O 3.23Å; G30-A64 PolarHBondContact N-O 2.8Å; G30-A64 VanDerWaalsContact N-O 3.16Å; G30-V66 CarbonylContact C-O 3.57Å; G30-V66 WeakPolarHBondContact CA-O 3.35Å; G30-V66 PolarHBondContact N-O 2.92Å; G30-D67 PolarHBondContact N-OD1 3.3Å
31L93.4Very high93.8Very high82 Ų8265.9 Ų65.943%0.42934%0.341SS..  trans-82.9117.7-177.4-17371000111.6K33 D67 I68L31-K33 HydrophobicContact CD1-CG 4.49Å; L31-K33 HydrophobicContact CD2-CD 3.94Å; L31-K33 HydrophobicContact CD2-CG 4.39Å; L31-K33 HydrophobicContact CG-CD 4.26Å; L31-K33 HydrophobicContact CG-CG 4.16Å; L31-D67 WeakPolarHBondContact CB-OD1 3.2Å; L31-D67 PolarHBondContact N-OD1 3.22Å; L31-D67 CarbonylContact O-C 3.54Å; L31-D67 WeakPolarHBondContact O-CA 3.49Å; L31-I68 PolarHBondContact O-N 3.22Å
32I95.1Very high93.5Very high19 Ų1966.9 Ų66.910%0.09735%0.347CS..EExtended strand (participates in β ladder)trans-109.3118.8174.5-49.9173.9000110.3G30 L39 V55 F63 I68 I88G30-I32 PolarHBondContact O-N 3.27Å; I32-L39 HydrophobicContact CB-CD1 3.67Å; I32-L39 HydrophobicContact CB-CG 4.2Å; I32-L39 HydrophobicContact CD1-CD1 4.04Å; I32-L39 HydrophobicContact CG1-CD1 4.45Å; I32-L39 HydrophobicContact CG2-CD1 3.55Å; I32-L39 HydrophobicContact CG2-CD2 4.17Å; I32-L39 HydrophobicContact CG2-CG 3.8Å; I32-V55 HydrophobicContact CD1-CG2 3.79Å; I32-F63 HydrophobicContact CD1-CD1 3.93Å; I32-F63 HydrophobicContact CD1-CE1 4.31Å; I32-F63 HydrophobicContact CD1-CG 4.39Å; I32-I68 WeakPolarHBondContact CA-O 3.27Å; I32-I68 HydrophobicContact CG1-CB 4.36Å; I32-I68 HydrophobicContact CG2-CB 4.24Å; I32-I88 HydrophobicContact CG2-CD1 4.09Å
33K95.3Very high93Very high77 Ų7771.5 Ų71.534%0.33537%0.365SS..EExtended strand (participates in β ladder)trans-128.6140179.8-73.4-178.3171.3178.90111.8L31 R37 I68 V70L31-K33 HydrophobicContact CD1-CG 4.49Å; L31-K33 HydrophobicContact CD2-CD 3.94Å; L31-K33 HydrophobicContact CD2-CG 4.39Å; L31-K33 HydrophobicContact CG-CD 4.26Å; L31-K33 HydrophobicContact CG-CG 4.16Å; K33-R37 CarbonylContact C-O 3.53Å; K33-R37 VanDerWaalsContact CA-O 3.23Å; K33-R37 WeakPolarHBondContact CA-O 3.48Å; K33-R37 WeakPolarHBondContact CB-O 3.4Å; K33-I68 PolarHBondContact N-O 3.16Å; K33-V70 PolarHBondContact O-N 3.5Å
34V95.2Very high92.8Very high6 Ų673.4 Ų73.44%0.03638%0.377CS..EExtended strand (participates in β ladder)trans-116.8121.4174.7-175.30000108.4G36 R37 L39 V42 V70 V72 I84V34-G36 PolarHBondContact O-N 2.79Å; V34-R37 PolarHBondContact N-O 2.83Å; V34-R37 PolarHBondContact O-N 3.07Å; V34-L39 HydrophobicContact CG2-CD2 3.91Å; V34-V42 HydrophobicContact CB-CG2 3.83Å; V34-V42 HydrophobicContact CG1-CG2 4.26Å; V34-V42 HydrophobicContact CG2-CG2 4.08Å; V34-V70 WeakPolarHBondContact CA-O 3.29Å; V34-V70 HydrophobicContact CG1-CB 4.46Å; V34-V70 HydrophobicContact CG2-CB 4.22Å; V34-V70 HydrophobicContact CG2-CG2 4.49Å; V34-V72 HydrophobicContact CG1-CG2 4.15Å; V34-I84 HydrophobicContact CG1-CD1 3.72Å; V34-I84 HydrophobicContact CG1-CG1 4.19Å; V34-I84 HydrophobicContact CG2-CG2 3.89Å
35N93.8Very high92.5Very high97 Ų9773.3 Ų73.352%0.51939%0.389SS..THydrogen-bonded Turntrans50.532.9-178.1-65.7-20.6000113.8R37 V70 R71 V72N35-R37 VanDerWaalsContact C-N 3.33Å; N35-R37 PolarHBondContact O-N 2.92Å; N35-V70 PolarHBondContact N-O 2.82Å; N35-R71 WeakPolarHBondContact OD1-CA 3.37Å; N35-V72 PolarHBondContact OD1-N 3.05Å; N35-V72 VanDerWaalsContact OD1-N 3.07Å
36G91.8Very high92.4Very high61 Ų6179.2 Ų79.263%0.62943%0.425SS*.THydrogen-bonded Turntrans88.4-12.6-17900000115.2V34V34-G36 PolarHBondContact O-N 2.79Å
37R93.1Very high92.4Very high153 Ų15377.9 Ų77.958%0.57742%0.421SS*.EExtended strand (participates in β ladder)trans-97.9153.2178.7-59.7-178.2-174.4176.80.1111.3K33 V34 N35 M41K33-R37 CarbonylContact C-O 3.53Å; K33-R37 VanDerWaalsContact CA-O 3.23Å; K33-R37 WeakPolarHBondContact CA-O 3.48Å; K33-R37 WeakPolarHBondContact CB-O 3.4Å; V34-R37 PolarHBondContact N-O 2.83Å; V34-R37 PolarHBondContact O-N 3.07Å; N35-R37 VanDerWaalsContact C-N 3.33Å; N35-R37 PolarHBondContact O-N 2.92Å; R37-M41 HydrophobicContact CB-CB 4.37Å
38P93.2Very high92.2Very high48 Ų4872 Ų7231%0.31240%0.401SS..EExtended strand (participates in β ladder)trans-66.4160.1171.829.7-34.9000111.5E40 M41P38-E40 PolarHBondContact O-N 2.91Å; P38-M41 HydrophobicContact CG-CB 4.15Å; P38-M41 HydrophobicContact CG-CE 4.16Å; P38-M41 HydrophobicContact CG-CG 3.78Å; P38-M41 HydrophobicContact CG-SD 3.58Å; P38-M41 VanDerWaalsContact CG-SD 3.58Å; P38-M41 PolarHBondContact O-N 2.8Å; P38-M41 VanDerWaalsContact O-N 3.16Å
39L89Confident92.3Very high18 Ų1879.5 Ų79.59%0.09443%0.425CS..G310 helixtrans-54.9-36.6-178.5-81.4164.4000113.7I32 V34 M41 V42 L51 L52 I88I32-L39 HydrophobicContact CB-CD1 3.67Å; I32-L39 HydrophobicContact CB-CG 4.2Å; I32-L39 HydrophobicContact CD1-CD1 4.04Å; I32-L39 HydrophobicContact CG1-CD1 4.45Å; I32-L39 HydrophobicContact CG2-CD1 3.55Å; I32-L39 HydrophobicContact CG2-CD2 4.17Å; I32-L39 HydrophobicContact CG2-CG 3.8Å; V34-L39 HydrophobicContact CG2-CD2 3.91Å; L39-M41 PolarHBondContact O-N 3.45Å; L39-V42 WeakPolarHBondContact O-CB 3.34Å; L39-V42 WeakPolarHBondContact O-CG2 3.43Å; L39-V42 PolarHBondContact O-N 3.15Å; L39-L51 HydrophobicContact CD2-CB 4.26Å; L39-L52 HydrophobicContact CB-CD2 4.49Å; L39-L52 HydrophobicContact CD1-CD2 4.39Å; L39-I88 HydrophobicContact CD2-CD1 3.91Å
40E89.1Confident92.5Very high137 Ų13775.2 Ų75.264%0.6440%0.399SS*.G310 helixtrans-69-23.9-176.6-64.9167.5-173.800113.3P38 V42 Q48P38-E40 PolarHBondContact O-N 2.91Å; E40-V42 VanDerWaalsContact C-N 3.31Å; E40-Q48 PolarHBondContact O-NE2 2.87Å
41M90.9Very high92.6Very high121 Ų12173.8 Ų73.860%0.59639%0.385SS*.G310 helixtrans-92.19.9179.8-67.3179.9-179.100112.7R37 P38 L39R37-M41 HydrophobicContact CB-CB 4.37Å; P38-M41 HydrophobicContact CG-CB 4.15Å; P38-M41 HydrophobicContact CG-CE 4.16Å; P38-M41 HydrophobicContact CG-CG 3.78Å; P38-M41 HydrophobicContact CG-SD 3.58Å; P38-M41 VanDerWaalsContact CG-SD 3.58Å; P38-M41 PolarHBondContact O-N 2.8Å; P38-M41 VanDerWaalsContact O-N 3.16Å; L39-M41 PolarHBondContact O-N 3.45Å
42V90.9Very high92.6Very high21 Ų2171.7 Ų71.713%0.12737%0.374CS..PPolyproline II helixtrans-85.4119.5177.5-178.80000109.3V34 L39 E40 L51 I84V34-V42 HydrophobicContact CB-CG2 3.83Å; V34-V42 HydrophobicContact CG1-CG2 4.26Å; V34-V42 HydrophobicContact CG2-CG2 4.08Å; L39-V42 WeakPolarHBondContact O-CB 3.34Å; L39-V42 WeakPolarHBondContact O-CG2 3.43Å; L39-V42 PolarHBondContact O-N 3.15Å; E40-V42 VanDerWaalsContact C-N 3.31Å; V42-L51 HydrophobicContact CB-CD1 3.59Å; V42-L51 HydrophobicContact CG1-CD1 3.62Å; V42-L51 HydrophobicContact CG2-CD1 4.27Å; V42-I84 HydrophobicContact CG1-CD1 4.39Å
43E88.9Confident92.5Very high148 Ų14871.5 Ų71.569%0.69237%0.372SS*.SBendtrans-85.1152.3177.1-66.8176.6174.600112.2
44P93.2Very high92.4Very high39 Ų3967.8 Ų67.825%0.25336%0.356SS..PPolyproline II helixcis-78.8143.6-429.9-38.4000114.1T46 L47 I81P44-T46 PolarHBondContact O-N 3.01Å; P44-L47 HydrophobicContact CG-CD1 4.24Å; P44-L47 HydrophobicContact CG-CG 4.49Å; P44-L47 PolarHBondContact O-N 3Å; P44-L47 VanDerWaalsContact O-N 3.1Å; P44-I81 HydrophobicContact CG-CD1 4.14Å
45A90.6Very high92.4Very high68 Ų6868.4 Ų68.456%0.56236%0.36SS*.G310 helixtrans-59.6-28.2-179.500000113.9L47 Q48A45-L47 PolarHBondContact O-N 3.1Å; A45-L47 VanDerWaalsContact O-N 3.13Å; A45-Q48 WeakPolarHBondContact O-CB 3.34Å; A45-Q48 PolarHBondContact O-N 3.2Å
46T93.6Very high92.4Very high125 Ų12569.4 Ų69.477%0.76737%0.365SS*.G310 helixtrans-59.7-25.7177.253.90000113.4P44P44-T46 PolarHBondContact O-N 3.01Å
47L94.2Very high92.5Very high37 Ų3769.2 Ų69.219%0.19435%0.349CS..G310 helixtrans-106.412.8179.6-66.6178000112.7P44 A45 Y49 K50 V78 I81P44-L47 HydrophobicContact CG-CD1 4.24Å; P44-L47 HydrophobicContact CG-CG 4.49Å; P44-L47 PolarHBondContact O-N 3Å; P44-L47 VanDerWaalsContact O-N 3.1Å; A45-L47 PolarHBondContact O-N 3.1Å; A45-L47 VanDerWaalsContact O-N 3.13Å; L47-Y49 VanDerWaalsContact C-N 3.29Å; L47-Y49 PolarHBondContact O-N 2.83Å; L47-K50 HydrophobicContact CD2-CG 4.08Å; L47-K50 VanDerWaalsContact O-CB 3.29Å; L47-K50 WeakPolarHBondContact O-CB 3.29Å; L47-K50 PolarHBondContact O-N 3.33Å; L47-V78 HydrophobicContact CD1-CB 4.16Å; L47-V78 HydrophobicContact CD1-CG1 3.85Å; L47-V78 HydrophobicContact CD1-CG2 3.84Å; L47-I81 HydrophobicContact CB-CD1 3.51Å; L47-I81 HydrophobicContact CB-CG2 4.33Å; L47-I81 HydrophobicContact CD1-CD1 4.02Å; L47-I81 HydrophobicContact CG-CD1 4.42Å
48Q91.5Very high92.5Very high54 Ų5462.6 Ų62.625%0.25233%0.325SS..Hα-helixtrans-58.7-40.9-178.4-173.6172.7-2.500112.1E40 A45 K50 L51 L52E40-Q48 PolarHBondContact O-NE2 2.87Å; A45-Q48 WeakPolarHBondContact O-CB 3.34Å; A45-Q48 PolarHBondContact O-N 3.2Å; Q48-K50 PolarHBondContact O-N 3.03Å; Q48-L51 WeakPolarHBondContact O-CB 3.46Å; Q48-L51 PolarHBondContact O-N 2.88Å; Q48-L52 HydrophobicContact CG-CD1 4.45Å; Q48-L52 PolarHBondContact O-N 3.41Å
49Y93.6Very high92.4Very high175 Ų17561.7 Ų61.769%0.68632%0.324SS*.Hα-helixtrans-59.3-33.6175-72.3-75.6000112.8L47 L51 L52 E53L47-Y49 VanDerWaalsContact C-N 3.29Å; L47-Y49 PolarHBondContact O-N 2.83Å; Y49-L51 PolarHBondContact O-N 2.95Å; Y49-L52 PolarHBondContact O-N 2.99Å; Y49-L52 VanDerWaalsContact O-N 3.11Å; Y49-E53 WeakPolarHBondContact O-CG 3.4Å; Y49-E53 PolarHBondContact O-N 2.82Å
50K94.8Very high92.4Very high64 Ų6469 Ų6928%0.27836%0.355SS..Hα-helixtrans-63.3-30.2175.9-65.4-50-163.2-1740112.8L47 Q48 E53 I81 R85L47-K50 HydrophobicContact CD2-CG 4.08Å; L47-K50 VanDerWaalsContact O-CB 3.29Å; L47-K50 WeakPolarHBondContact O-CB 3.29Å; L47-K50 PolarHBondContact O-N 3.33Å; Q48-K50 PolarHBondContact O-N 3.03Å; K50-E53 WeakPolarHBondContact CD-OE1 3.49Å; K50-E53 WeakPolarHBondContact CE-OE1 3.46Å; K50-E53 IonicContact NZ-OE1 3.02Å; K50-E53 PolarHBondContact NZ-OE1 3.46Å; K50-I81 HydrophobicContact CB-CG2 4Å; K50-R85 VanDerWaalsContact O-CD 3.26Å; K50-R85 WeakPolarHBondContact O-CD 3.34Å; K50-R85 VanDerWaalsContact O-CG 3.28Å; K50-R85 WeakPolarHBondContact O-CG 3.47Å
51L93.1Very high92.5Very high0 Ų070.8 Ų70.80%036%0.364CS..Hα-helixtrans-75.7-32.9174.7-69.8167.5000112.4L39 V42 Q48 Y49 P54 I81 I84L39-L51 HydrophobicContact CD2-CB 4.26Å; V42-L51 HydrophobicContact CB-CD1 3.59Å; V42-L51 HydrophobicContact CG1-CD1 3.62Å; V42-L51 HydrophobicContact CG2-CD1 4.27Å; Q48-L51 WeakPolarHBondContact O-CB 3.46Å; Q48-L51 PolarHBondContact O-N 2.88Å; Y49-L51 PolarHBondContact O-N 2.95Å; L51-P54 WeakPolarHBondContact O-CD 3.48Å; L51-I81 HydrophobicContact CD1-CG1 4.32Å; L51-I81 HydrophobicContact CD2-CB 4.36Å; L51-I81 HydrophobicContact CD2-CG1 4.39Å; L51-I81 HydrophobicContact CD2-CG2 3.92Å; L51-I81 HydrophobicContact CG-CG1 4.4Å; L51-I81 HydrophobicContact CG-CG2 3.88Å; L51-I84 HydrophobicContact CD2-CB 3.7Å; L51-I84 HydrophobicContact CD2-CD1 4.1Å; L51-I84 HydrophobicContact CD2-CG2 3.56Å
52L93.1Very high92.5Very high38 Ų3868.1 Ų68.120%0.19935%0.347CS..Hα-helixtrans-83-20.6-176.3-66.6174.8000113.7L39 Q48 Y49 P54 V55 L56L39-L52 HydrophobicContact CB-CD2 4.49Å; L39-L52 HydrophobicContact CD1-CD2 4.39Å; Q48-L52 HydrophobicContact CG-CD1 4.45Å; Q48-L52 PolarHBondContact O-N 3.41Å; Y49-L52 PolarHBondContact O-N 2.99Å; Y49-L52 VanDerWaalsContact O-N 3.11Å; L52-P54 VanDerWaalsContact C-CD 3.49Å; L52-V55 WeakPolarHBondContact O-CA 3.43Å; L52-V55 WeakPolarHBondContact O-CB 3.44Å; L52-V55 PolarHBondContact O-N 3.13Å; L52-L56 HydrophobicContact CB-CD1 4Å; L52-L56 HydrophobicContact CB-CG 4.27Å; L52-L56 PolarHBondContact O-N 2.97Å
53E93.6Very high92.4Very high14 Ų1467.4 Ų67.47%0.06534%0.342CS..Hα-helixtrans-41-51.7177.2-80.2173.2-170.600115.2Y49 K50 V55 L56 L57 R85 Y115Y49-E53 WeakPolarHBondContact O-CG 3.4Å; Y49-E53 PolarHBondContact O-N 2.82Å; K50-E53 WeakPolarHBondContact CD-OE1 3.49Å; K50-E53 WeakPolarHBondContact CE-OE1 3.46Å; K50-E53 IonicContact NZ-OE1 3.02Å; K50-E53 PolarHBondContact NZ-OE1 3.46Å; E53-V55 PolarHBondContact O-N 2.94Å; E53-L56 PolarHBondContact O-N 3.17Å; E53-L57 WeakPolarHBondContact O-CB 3.33Å; E53-L57 WeakPolarHBondContact O-CG 3.48Å; E53-L57 PolarHBondContact O-N 3.47Å; E53-R85 IonicContact OE2-CZ 3.21Å; E53-R85 IonicContact OE2-NE 2.88Å; E53-R85 PolarHBondContact OE2-NE 3.34Å; E53-R85 IonicContact OE2-NH2 2.63Å; E53-R85 PolarHBondContact OE2-NH2 2.98Å; E53-Y115 HydrophobicContact CG-CE1 4.18Å; E53-Y115 PolarHBondContact OE1-OH 3.2Å; E53-Y115 WeakPolarHBondContact OE2-CE1 3.37Å
54P93.9Very high92.6Very high0 Ų063 Ų630%033%0.331CS..Hα-helixtrans-61.5-31.717923.1-34.6000113.7L51 L52 L58 F63 I88 S89L51-P54 WeakPolarHBondContact O-CD 3.48Å; L52-P54 VanDerWaalsContact C-CD 3.49Å; P54-L58 WeakPolarHBondContact O-CB 3.28Å; P54-L58 WeakPolarHBondContact O-CG 3.47Å; P54-L58 PolarHBondContact O-N 2.98Å; P54-F63 WeakPolarHBondContact O-CE2 3.41Å; P54-I88 HydrophobicContact CB-CG2 4.33Å; P54-I88 HydrophobicContact CG-CB 4.47Å; P54-I88 HydrophobicContact CG-CG2 4.09Å; P54-S89 WeakPolarHBondContact CB-OG 3.5Å
55V93.7Very high92.5Very high18 Ų1863.2 Ų63.211%0.10934%0.341CS..Hα-helixtrans-77.3-39.1177.7-177.90000110.7I32 L52 E53 G59 K60 F63I32-V55 HydrophobicContact CD1-CG2 3.79Å; L52-V55 WeakPolarHBondContact O-CA 3.43Å; L52-V55 WeakPolarHBondContact O-CB 3.44Å; L52-V55 PolarHBondContact O-N 3.13Å; E53-V55 PolarHBondContact O-N 2.94Å; V55-G59 CarbonylContact O-C 3.51Å; V55-G59 WeakPolarHBondContact O-CA 3.48Å; V55-G59 PolarHBondContact O-N 3.29Å; V55-K60 HydrophobicContact CG1-CG 4.04Å; V55-F63 HydrophobicContact CB-CE2 4.45Å; V55-F63 HydrophobicContact CG2-CD2 4.46Å; V55-F63 HydrophobicContact CG2-CE2 4.21Å; V55-F63 HydrophobicContact CG2-CZ 4.36Å
56L94.6Very high92.6Very high119 Ų11960.2 Ų60.262%0.62332%0.315SS*.Hα-helixtrans-70.9-39.5179.2-67.4173.3000112.3L52 E53L52-L56 HydrophobicContact CB-CD1 4Å; L52-L56 HydrophobicContact CB-CG 4.27Å; L52-L56 PolarHBondContact O-N 2.97Å; E53-L56 PolarHBondContact O-N 3.17Å
57L94Very high92.7Very high56 Ų5655.1 Ų55.129%0.29328%0.283SS..Hα-helixtrans-70.5-37.6-179.5-70.6168.2000112.9E53 I111 L112 Y115 L119E53-L57 WeakPolarHBondContact O-CB 3.33Å; E53-L57 WeakPolarHBondContact O-CG 3.48Å; E53-L57 PolarHBondContact O-N 3.47Å; L57-I111 HydrophobicContact CB-CG2 4.41Å; L57-L112 HydrophobicContact CD1-CD2 4.44Å; L57-Y115 HydrophobicContact CD1-CD1 3.55Å; L57-Y115 HydrophobicContact CD1-CD2 4.25Å; L57-Y115 HydrophobicContact CD1-CE1 4.15Å; L57-Y115 HydrophobicContact CD1-CG 3.6Å; L57-Y115 HydrophobicContact CD2-CD2 3.82Å; L57-Y115 HydrophobicContact CD2-CE2 4.34Å; L57-Y115 HydrophobicContact CD2-CG 3.95Å; L57-Y115 HydrophobicContact CG-CG 4.42Å; L57-L119 HydrophobicContact CD1-CD1 4.06Å
58L92.2Very high92.8Very high14 Ų1453.3 Ų53.37%0.07327%0.274CS..Hα-helixtrans-98-12.2-174.4-61.8175.6000113.5P54 F63 L92 I108 I111 L112P54-L58 WeakPolarHBondContact O-CB 3.28Å; P54-L58 WeakPolarHBondContact O-CG 3.47Å; P54-L58 PolarHBondContact O-N 2.98Å; L58-F63 HydrophobicContact CB-CE2 4.11Å; L58-F63 HydrophobicContact CD1-CE2 4.13Å; L58-F63 HydrophobicContact CD1-CZ 4.21Å; L58-L92 HydrophobicContact CD1-CD2 3.53Å; L58-I108 HydrophobicContact CD1-CG2 3.73Å; L58-I108 HydrophobicContact CD2-CB 4.31Å; L58-I108 HydrophobicContact CD2-CG1 4.36Å; L58-I108 HydrophobicContact CD2-CG2 3.9Å; L58-I108 HydrophobicContact CG-CG2 4.5Å; L58-I111 HydrophobicContact CD2-CB 4.27Å; L58-I111 HydrophobicContact CD2-CD1 4.4Å; L58-I111 HydrophobicContact CD2-CG2 4.12Å; L58-L112 HydrophobicContact CD1-CD1 4.2Å; L58-L112 HydrophobicContact CD1-CD2 4.06Å; L58-L112 HydrophobicContact CD1-CG 4.28Å; L58-L112 HydrophobicContact CD2-CD2 4.45Å; L58-L112 HydrophobicContact CD2-CG 4.27Å; L58-L112 HydrophobicContact CG-CD2 4.2Å; L58-L112 HydrophobicContact CG-CG 4.49Å
59G91.7Very high93Very high30 Ų3057.9 Ų57.931%0.30929%0.289SS..  trans77154.7-172.500000113.1V55 E61 F63V55-G59 CarbonylContact O-C 3.51Å; V55-G59 WeakPolarHBondContact O-CA 3.48Å; V55-G59 PolarHBondContact O-N 3.29Å; G59-E61 PolarHBondContact O-N 3.05Å; G59-F63 WeakPolarHBondContact O-CD2 3.42Å
60K89.7Confident93.2Very high170 Ų17049.7 Ų49.774%0.73926%0.257SS*.SBendtrans-65.6-26179.4-68.7-177179179.10112.9V55 R62 F63 A64V55-K60 HydrophobicContact CG1-CG 4.04Å; K60-R62 VanDerWaalsContact C-N 3.35Å; K60-R62 PolarHBondContact O-N 3.26Å; K60-F63 CarbonylContact O-C 3.59Å; K60-F63 PolarHBondContact O-N 3.16Å; K60-A64 PolarHBondContact O-N 3.34Å
61E91.5Very high93.4Very high176 Ų17656 Ų5682%0.82228%0.279SS*.G310 helixtrans-59.7-43.2-178-62.5-179.4175.700112.2G59 F63 A64G59-E61 PolarHBondContact O-N 3.05Å; E61-F63 PolarHBondContact O-N 3.22Å; E61-A64 WeakPolarHBondContact O-CB 3.17Å; E61-A64 PolarHBondContact O-N 3.06Å; E61-A64 VanDerWaalsContact O-N 3.15Å
62R90Very high93.5Very high65 Ų6556.6 Ų56.625%0.24528%0.283CS..G310 helixtrans-67.5-17.9177.8-62.2-164.7-176.1-124.54.5113K60 L92 Y96 E107K60-R62 VanDerWaalsContact C-N 3.35Å; K60-R62 PolarHBondContact O-N 3.26Å; R62-L92 HydrophobicContact CB-CD2 4.48Å; R62-Y96 PolarHBondContact O-OH 3.29Å; R62-E107 IonicContact CZ-OE2 3.21Å; R62-E107 IonicContact NH1-OE2 3.61Å; R62-E107 PolarHBondContact NH1-OE2 3.42Å; R62-E107 IonicContact NH2-OE2 2.61Å; R62-E107 PolarHBondContact NH2-OE2 3.36Å
63F89.9Confident93.7Very high5 Ų562.6 Ų62.62%0.02231%0.307CS..G310 helixtrans-97-15.9174.9-70.1-86.6000113.4G30 I32 P54 V55 L58 G59 K60 E61 G65 V66 I68 I88 L92G30-F63 VanDerWaalsContact CA-O 3.23Å; G30-F63 WeakPolarHBondContact CA-O 3.23Å; I32-F63 HydrophobicContact CD1-CD1 3.93Å; I32-F63 HydrophobicContact CD1-CE1 4.31Å; I32-F63 HydrophobicContact CD1-CG 4.39Å; P54-F63 WeakPolarHBondContact O-CE2 3.41Å; V55-F63 HydrophobicContact CB-CE2 4.45Å; V55-F63 HydrophobicContact CG2-CD2 4.46Å; V55-F63 HydrophobicContact CG2-CE2 4.21Å; V55-F63 HydrophobicContact CG2-CZ 4.36Å; L58-F63 HydrophobicContact CB-CE2 4.11Å; L58-F63 HydrophobicContact CD1-CE2 4.13Å; L58-F63 HydrophobicContact CD1-CZ 4.21Å; G59-F63 WeakPolarHBondContact O-CD2 3.42Å; K60-F63 CarbonylContact O-C 3.59Å; K60-F63 PolarHBondContact O-N 3.16Å; E61-F63 PolarHBondContact O-N 3.22Å; F63-G65 PolarHBondContact O-N 3.32Å; F63-G65 VanDerWaalsContact O-N 3.1Å; F63-V66 HydrophobicContact CD1-CG2 4.37Å; F63-V66 WeakPolarHBondContact O-CG2 3.45Å; F63-V66 PolarHBondContact O-N 2.99Å; F63-I68 HydrophobicContact CD1-CD1 3.92Å; F63-I68 HydrophobicContact CE1-CD1 3.83Å; F63-I88 HydrophobicContact CE1-CG2 3.94Å; F63-I88 HydrophobicContact CZ-CG2 4.28Å; F63-L92 HydrophobicContact CD1-CD1 4.1Å; F63-L92 HydrophobicContact CE1-CB 4.3Å; F63-L92 HydrophobicContact CE1-CD1 4.07Å; F63-L92 HydrophobicContact CE1-CD2 3.96Å; F63-L92 HydrophobicContact CE1-CG 4.35Å; F63-L92 HydrophobicContact CE2-CD2 4.04Å; F63-L92 HydrophobicContact CZ-CD2 3.71Å
64A91.5Very high93.8Very high56 Ų5664 Ų6446%0.46333%0.326SS..THydrogen-bonded Turntrans-58.9-30.5-171.100000114N29 G30 K60 E61N29-A64 CarbonylContact C-O 3.58Å; N29-A64 WeakPolarHBondContact CA-O 3.5Å; G30-A64 PolarHBondContact N-O 2.8Å; G30-A64 VanDerWaalsContact N-O 3.16Å; K60-A64 PolarHBondContact O-N 3.34Å; E61-A64 WeakPolarHBondContact O-CB 3.17Å; E61-A64 PolarHBondContact O-N 3.06Å; E61-A64 VanDerWaalsContact O-N 3.15Å
65G90.9Very high93.8Very high44 Ų4465.7 Ų65.745%0.45434%0.343SS..THydrogen-bonded Turntrans-86.7-0.1178.800000115.6G28 F63G28-G65 PolarHBondContact N-O 2.93Å; G28-G65 CarbonylContact O-C 3.43Å; F63-G65 PolarHBondContact O-N 3.32Å; F63-G65 VanDerWaalsContact O-N 3.1Å
66V93.9Very high93.8Very high4 Ų466.7 Ų66.72%0.02436%0.357CS..EExtended strand (participates in β ladder)trans-133.3138.1-173-65.70000113.1K26 G30 F63 L92 Y95K26-V66 CarbonylContact O-C 3.58Å; K26-V66 VanDerWaalsContact O-CA 3.32Å; K26-V66 WeakPolarHBondContact O-CA 3.15Å; G30-V66 CarbonylContact C-O 3.57Å; G30-V66 WeakPolarHBondContact CA-O 3.35Å; G30-V66 PolarHBondContact N-O 2.92Å; F63-V66 HydrophobicContact CD1-CG2 4.37Å; F63-V66 WeakPolarHBondContact O-CG2 3.45Å; F63-V66 PolarHBondContact O-N 2.99Å; V66-L92 HydrophobicContact CG2-CD1 3.91Å; V66-Y95 HydrophobicContact CG1-CD1 3.73Å; V66-Y95 HydrophobicContact CG1-CD2 4.34Å; V66-Y95 HydrophobicContact CG1-CE1 3.53Å; V66-Y95 HydrophobicContact CG1-CE2 4.16Å; V66-Y95 HydrophobicContact CG1-CG 4.14Å
67D95.3Very high93.8Very high18 Ų1867.3 Ų67.310%0.09636%0.356CS..EExtended strand (participates in β ladder)trans-101.3134.5167-68.9-17000109.6C25 K26 N29 G30 L31C25-D67 WeakPolarHBondContact CA-O 3.48Å; K26-D67 VanDerWaalsContact CE-OD2 3.31Å; K26-D67 WeakPolarHBondContact CE-OD2 3.47Å; K26-D67 HydrophobicContact CG-CB 3.97Å; K26-D67 PolarHBondContact N-O 2.9Å; K26-D67 IonicContact NZ-OD2 3.23Å; K26-D67 PolarHBondContact NZ-OD2 3.42Å; K26-D67 PolarHBondContact O-N 3.46Å; N29-D67 PolarHBondContact N-OD1 3Å; G30-D67 PolarHBondContact N-OD1 3.3Å; L31-D67 WeakPolarHBondContact CB-OD1 3.2Å; L31-D67 PolarHBondContact N-OD1 3.22Å; L31-D67 CarbonylContact O-C 3.54Å; L31-D67 WeakPolarHBondContact O-CA 3.49Å
68I96.3Very high93.9Very high0 Ų068.3 Ų68.30%037%0.365CS..EExtended strand (participates in β ladder)trans-119.7119179.5-55.9176.5000109.5A23 C25 L31 I32 K33 F63 V70 I88A23-I68 HydrophobicContact CB-CG2 4.15Å; C25-I68 HydrophobicContact CB-CG1 4.28Å; L31-I68 PolarHBondContact O-N 3.22Å; I32-I68 WeakPolarHBondContact CA-O 3.27Å; I32-I68 HydrophobicContact CG1-CB 4.36Å; I32-I68 HydrophobicContact CG2-CB 4.24Å; K33-I68 PolarHBondContact N-O 3.16Å; F63-I68 HydrophobicContact CD1-CD1 3.92Å; F63-I68 HydrophobicContact CE1-CD1 3.83Å; I68-V70 HydrophobicContact CG2-CG2 3.86Å; I68-I88 HydrophobicContact CD1-CG2 4.16Å; I68-I88 HydrophobicContact CG2-CG1 4.49Å
69R96.6Very high94.1Very high149 Ų14968.2 Ų68.256%0.56237%0.366SS*.EExtended strand (participates in β ladder)trans-107.7119.9171.6-67.2-178.3-179.9-179.1-2.4109.5H24H24-R69 PolarHBondContact N-O 3.23Å; H24-R69 PolarHBondContact O-N 3.23Å
70V97.6Very high94.3Very high3 Ų369.2 Ų69.22%0.01836%0.363CS..EExtended strand (participates in β ladder)trans-108.6131.1-179.6-169.70000109.9A21 V22 A23 K33 V34 N35 I68 V72 I84 I88A21-V70 HydrophobicContact CB-CG1 4.09Å; V22-V70 CarbonylContact O-C 3.5Å; V22-V70 WeakPolarHBondContact O-CA 3.45Å; A23-V70 HydrophobicContact CB-CG2 4.07Å; K33-V70 PolarHBondContact O-N 3.5Å; V34-V70 WeakPolarHBondContact CA-O 3.29Å; V34-V70 HydrophobicContact CG1-CB 4.46Å; V34-V70 HydrophobicContact CG2-CB 4.22Å; V34-V70 HydrophobicContact CG2-CG2 4.49Å; N35-V70 PolarHBondContact N-O 2.82Å; I68-V70 HydrophobicContact CG2-CG2 3.86Å; V70-V72 HydrophobicContact CG1-CG2 3.93Å; V70-I84 HydrophobicContact CG1-CG1 4.31Å; V70-I84 HydrophobicContact CG1-CG2 4.38Å; V70-I88 HydrophobicContact CG2-CG1 4.02Å
71R97.4Very high94.6Very high197 Ų19761.2 Ų61.274%0.74333%0.328SS*.EExtended strand (participates in β ladder)trans-112.2132.9167.6-70.7-175.1175.9-170.2-2109.4A21 V22 N35A21-R71 CarbonylContact C-O 3.17Å; A21-R71 WeakPolarHBondContact CA-O 3.16Å; V22-R71 PolarHBondContact N-O 3.2Å; V22-R71 PolarHBondContact O-N 3.42Å; N35-R71 WeakPolarHBondContact OD1-CA 3.37Å
72V96.9Very high94.9Very high13 Ų1356 Ų568%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-125.4136.4-178.3-1690000110.8T20 A21 V34 N35 V70 Q80 I84T20-V72 WeakPolarHBondContact O-CA 3.36Å; A21-V72 HydrophobicContact CB-CG1 4.34Å; A21-V72 HydrophobicContact CB-CG2 3.8Å; V34-V72 HydrophobicContact CG1-CG2 4.15Å; N35-V72 PolarHBondContact OD1-N 3.05Å; N35-V72 VanDerWaalsContact OD1-N 3.07Å; V70-V72 HydrophobicContact CG1-CG2 3.93Å; V72-Q80 HydrophobicContact CG1-CB 3.89Å; V72-Q80 HydrophobicContact CG1-CG 3.69Å; V72-I84 HydrophobicContact CG2-CD1 3.8Å; V72-I84 HydrophobicContact CG2-CG1 3.35Å
73K96Very high95.2Very high163 Ų16353 Ų5371%0.70929%0.29SS*.EExtended strand (participates in β ladder)trans-140152.7174.8-65.1-168.9175.5-171.40110.8T20T20-K73 PolarHBondContact N-O 3.41Å; T20-K73 PolarHBondContact O-N 3.47Å; T20-K73 PolarHBondContact OG1-O 3.46Å
74G95.5Very high95.6Very high44 Ų4452.9 Ų52.945%0.45429%0.29SS..SBendtrans74.2175.3176.800000114.4Q80G74-Q80 WeakPolarHBondContact O-CG 3.4Å; G74-Q80 PolarHBondContact O-NE2 2.61Å
75G94.6Very high95.8Very high35 Ų3550.3 Ų50.336%0.36127%0.268SS..SBendtrans66.4-166.1-177.300000114.3T18T18-G75 VanDerWaalsContact OG1-CA 3.23Å; T18-G75 WeakPolarHBondContact OG1-CA 3.22Å; T18-G75 PolarHBondContact OG1-N 2.9Å
76G94.6Very high96.1Very high40 Ų4048.5 Ų48.541%0.41225%0.248SC..  trans-114.1170.417400000111.7V78 A79 Q80G76-V78 PolarHBondContact O-N 3.29Å; G76-A79 PolarHBondContact O-N 3.32Å; G76-Q80 WeakPolarHBondContact O-CG 3.15Å; G76-Q80 PolarHBondContact O-N 3.38Å
77H94Very high96.3Very high131 Ų13148.3 Ų48.361%0.60625%0.247SC*.Hα-helixtrans-46.1-52.3-172.4-57.2100.9000114.2A79 Q80 I81H77-A79 PolarHBondContact O-N 3.17Å; H77-Q80 WeakPolarHBondContact O-CB 3.46Å; H77-Q80 PolarHBondContact O-N 3.29Å; H77-I81 PolarHBondContact O-N 3.28Å; H77-I81 VanDerWaalsContact O-N 3.13Å
78V95.5Very high96.3Very high78 Ų7847.5 Ų47.547%0.47324%0.242SC..Hα-helixtrans-62.6-47.1179.6-1780000111.2L47 G76 Q80 I81 Y82L47-V78 HydrophobicContact CD1-CB 4.16Å; L47-V78 HydrophobicContact CD1-CG1 3.85Å; L47-V78 HydrophobicContact CD1-CG2 3.84Å; G76-V78 PolarHBondContact O-N 3.29Å; V78-Q80 VanDerWaalsContact C-N 3.27Å; V78-Q80 PolarHBondContact O-N 2.78Å; V78-I81 PolarHBondContact O-N 3.1Å; V78-Y82 HydrophobicContact CG1-CD2 4.04Å; V78-Y82 HydrophobicContact CG1-CE2 3.86Å; V78-Y82 VanDerWaalsContact O-CD2 3.31Å; V78-Y82 WeakPolarHBondContact O-CD2 3.34Å; V78-Y82 PolarHBondContact O-N 3.3Å
79A96.3Very high96.4Very high12 Ų1247.5 Ų47.510%0.09924%0.242CC..Hα-helixtrans-63-36.1-179.800000112.1K16 K17 A19 G76 H77 Y82 A83K16-A79 WeakPolarHBondContact CB-O 3.39Å; K16-A79 HydrophobicContact CG-CB 4.36Å; K17-A79 HydrophobicContact CB-CB 4.42Å; A19-A79 HydrophobicContact CB-CB 4.03Å; G76-A79 PolarHBondContact O-N 3.32Å; H77-A79 PolarHBondContact O-N 3.17Å; A79-Y82 PolarHBondContact O-N 3.32Å; A79-A83 PolarHBondContact O-N 2.63Å
80Q96.5Very high96.4Very high51 Ų5142.3 Ų42.324%0.23822%0.224CC..Hα-helixtrans-62.7-43.7175.4-71.5-178.5-5.300111.7A19 V72 G74 G76 H77 V78 Y82 A83 I84A19-Q80 HydrophobicContact CB-CG 3.92Å; V72-Q80 HydrophobicContact CG1-CB 3.89Å; V72-Q80 HydrophobicContact CG1-CG 3.69Å; G74-Q80 WeakPolarHBondContact O-CG 3.4Å; G74-Q80 PolarHBondContact O-NE2 2.61Å; G76-Q80 WeakPolarHBondContact O-CG 3.15Å; G76-Q80 PolarHBondContact O-N 3.38Å; H77-Q80 WeakPolarHBondContact O-CB 3.46Å; H77-Q80 PolarHBondContact O-N 3.29Å; V78-Q80 VanDerWaalsContact C-N 3.27Å; V78-Q80 PolarHBondContact O-N 2.78Å; Q80-Y82 PolarHBondContact O-N 2.97Å; Q80-A83 WeakPolarHBondContact O-CB 3.33Å; Q80-A83 PolarHBondContact O-N 3Å; Q80-A83 VanDerWaalsContact O-N 3.11Å; Q80-I84 WeakPolarHBondContact O-CD1 3.37Å; Q80-I84 VanDerWaalsContact O-CG1 3.28Å; Q80-I84 WeakPolarHBondContact O-CG1 3.49Å; Q80-I84 PolarHBondContact O-N 2.96Å
81I96.5Very high96.4Very high1 Ų142.2 Ų42.21%0.00522%0.223CC..Hα-helixtrans-57.2-48.8176.2-73.4178.9000111.7P44 L47 K50 L51 H77 V78 A83 I84 R85P44-I81 HydrophobicContact CG-CD1 4.14Å; L47-I81 HydrophobicContact CB-CD1 3.51Å; L47-I81 HydrophobicContact CB-CG2 4.33Å; L47-I81 HydrophobicContact CD1-CD1 4.02Å; L47-I81 HydrophobicContact CG-CD1 4.42Å; K50-I81 HydrophobicContact CB-CG2 4Å; L51-I81 HydrophobicContact CD1-CG1 4.32Å; L51-I81 HydrophobicContact CD2-CB 4.36Å; L51-I81 HydrophobicContact CD2-CG1 4.39Å; L51-I81 HydrophobicContact CD2-CG2 3.92Å; L51-I81 HydrophobicContact CG-CG1 4.4Å; L51-I81 HydrophobicContact CG-CG2 3.88Å; H77-I81 PolarHBondContact O-N 3.28Å; H77-I81 VanDerWaalsContact O-N 3.13Å; V78-I81 PolarHBondContact O-N 3.1Å; I81-A83 VanDerWaalsContact C-N 3.28Å; I81-A83 PolarHBondContact O-N 3.18Å; I81-I84 PolarHBondContact O-N 3.04Å; I81-R85 WeakPolarHBondContact O-CB 3.42Å; I81-R85 PolarHBondContact O-N 3.02Å
82Y96.8Very high96.3Very high68 Ų6832.8 Ų32.827%0.26719%0.187SC..Hα-helixtrans-63-35177.2-80.7-87.4000112.5V78 A79 Q80 Q86V78-Y82 HydrophobicContact CG1-CD2 4.04Å; V78-Y82 HydrophobicContact CG1-CE2 3.86Å; V78-Y82 VanDerWaalsContact O-CD2 3.31Å; V78-Y82 WeakPolarHBondContact O-CD2 3.34Å; V78-Y82 PolarHBondContact O-N 3.3Å; A79-Y82 PolarHBondContact O-N 3.32Å; Q80-Y82 PolarHBondContact O-N 2.97Å; Y82-Q86 WeakPolarHBondContact O-CB 3.44Å; Y82-Q86 PolarHBondContact O-N 3.24Å; Y82-Q86 VanDerWaalsContact O-N 3.15Å
83A97.4Very high96.3Very high0 Ų032.9 Ų32.90%019%0.188CC..Hα-helixtrans-67.9-41.217500000112.1K16 A19 A21 A79 Q80 I81 Q86 A87K16-A83 HydrophobicContact CB-CB 4.42Å; A19-A83 HydrophobicContact CB-CB 4.18Å; A21-A83 VanDerWaalsContact CB-C 3.48Å; A21-A83 HydrophobicContact CB-CB 3.81Å; A21-A83 WeakPolarHBondContact CB-O 3.42Å; A79-A83 PolarHBondContact O-N 2.63Å; Q80-A83 WeakPolarHBondContact O-CB 3.33Å; Q80-A83 PolarHBondContact O-N 3Å; Q80-A83 VanDerWaalsContact O-N 3.11Å; I81-A83 VanDerWaalsContact C-N 3.28Å; I81-A83 PolarHBondContact O-N 3.18Å; A83-Q86 PolarHBondContact O-N 3.28Å; A83-A87 WeakPolarHBondContact O-CB 3.26Å; A83-A87 PolarHBondContact O-N 3.11Å
84I96.9Very high96.3Very high4 Ų426.2 Ų26.22%0.02116%0.163CC..Hα-helixtrans-63-53.3177.7-66.9157.5000110.5A21 V34 V42 L51 V70 V72 Q80 I81 Q86 A87 I88A21-I84 HydrophobicContact CB-CG1 4.25Å; V34-I84 HydrophobicContact CG1-CD1 3.72Å; V34-I84 HydrophobicContact CG1-CG1 4.19Å; V34-I84 HydrophobicContact CG2-CG2 3.89Å; V42-I84 HydrophobicContact CG1-CD1 4.39Å; L51-I84 HydrophobicContact CD2-CB 3.7Å; L51-I84 HydrophobicContact CD2-CD1 4.1Å; L51-I84 HydrophobicContact CD2-CG2 3.56Å; V70-I84 HydrophobicContact CG1-CG1 4.31Å; V70-I84 HydrophobicContact CG1-CG2 4.38Å; V72-I84 HydrophobicContact CG2-CD1 3.8Å; V72-I84 HydrophobicContact CG2-CG1 3.35Å; Q80-I84 WeakPolarHBondContact O-CD1 3.37Å; Q80-I84 VanDerWaalsContact O-CG1 3.28Å; Q80-I84 WeakPolarHBondContact O-CG1 3.49Å; Q80-I84 PolarHBondContact O-N 2.96Å; I81-I84 PolarHBondContact O-N 3.04Å; I84-Q86 VanDerWaalsContact C-N 3.25Å; I84-Q86 PolarHBondContact O-N 2.85Å; I84-A87 WeakPolarHBondContact O-CB 3.38Å; I84-A87 PolarHBondContact O-N 3.29Å; I84-I88 HydrophobicContact CG2-CD1 3.67Å; I84-I88 HydrophobicContact CG2-CG1 4.29Å; I84-I88 WeakPolarHBondContact O-CG1 3.34Å; I84-I88 PolarHBondContact O-N 2.87Å
85R96.1Very high96.3Very high2 Ų224.8 Ų24.81%0.00814%0.144CC..Hα-helixtrans-49.1-50.3176.9175.1-164.2178.5-135.8-2110.6K50 E53 I81 A87 I88 S89 D116 T118 L119K50-R85 VanDerWaalsContact O-CD 3.26Å; K50-R85 WeakPolarHBondContact O-CD 3.34Å; K50-R85 VanDerWaalsContact O-CG 3.28Å; K50-R85 WeakPolarHBondContact O-CG 3.47Å; E53-R85 IonicContact OE2-CZ 3.21Å; E53-R85 IonicContact OE2-NE 2.88Å; E53-R85 PolarHBondContact OE2-NE 3.34Å; E53-R85 IonicContact OE2-NH2 2.63Å; E53-R85 PolarHBondContact OE2-NH2 2.98Å; I81-R85 WeakPolarHBondContact O-CB 3.42Å; I81-R85 PolarHBondContact O-N 3.02Å; R85-A87 PolarHBondContact O-N 3.2Å; R85-I88 PolarHBondContact O-N 3.11Å; R85-S89 PolarHBondContact O-N 2.85Å; R85-S89 PolarHBondContact O-OG 2.92Å; R85-D116 IonicContact CZ-OD2 2.9Å; R85-D116 IonicContact NH1-OD2 2.78Å; R85-D116 PolarHBondContact NH1-OD2 3.47Å; R85-D116 IonicContact NH2-OD2 2.62Å; R85-D116 PolarHBondContact NH2-OD2 3.2Å; R85-T118 PolarHBondContact NH1-OG1 3.13Å; R85-L119 HydrophobicContact CG-CD2 3.43Å; R85-L119 VanDerWaalsContact CG-CD2 3.43Å
86Q97.5Very high96.3Very high6 Ų624.8 Ų24.83%0.02813%0.133CC..Hα-helixtrans-63.6-41.5177.4-169-175.318.700112.9R15 Y82 A83 I84 K90 T118 L119 L120 A122R15-Q86 PolarHBondContact O-OE1 2.96Å; Y82-Q86 WeakPolarHBondContact O-CB 3.44Å; Y82-Q86 PolarHBondContact O-N 3.24Å; Y82-Q86 VanDerWaalsContact O-N 3.15Å; A83-Q86 PolarHBondContact O-N 3.28Å; I84-Q86 VanDerWaalsContact C-N 3.25Å; I84-Q86 PolarHBondContact O-N 2.85Å; Q86-K90 HydrophobicContact CG-CD 4.24Å; Q86-K90 VanDerWaalsContact NE2-NZ 3.19Å; Q86-K90 WeakPolarHBondContact O-CB 3.21Å; Q86-K90 WeakPolarHBondContact O-CG 3.48Å; Q86-K90 PolarHBondContact O-N 3.35Å; Q86-T118 WeakPolarHBondContact CG-O 3.28Å; Q86-L119 VanDerWaalsContact CG-O 3.28Å; Q86-L119 WeakPolarHBondContact CG-O 3.41Å; Q86-L120 PolarHBondContact NE2-O 2.8Å; Q86-A122 VanDerWaalsContact NE2-CA 3.29Å
87A97.7Very high96.4Very high0 Ų028.1 Ų28.10%014%0.139CC..Hα-helixtrans-65.5-40-179.200000111.9A21 A23 A83 I84 R85 A91A21-A87 HydrophobicContact CB-CB 3.93Å; A23-A87 HydrophobicContact CB-CB 3.84Å; A83-A87 WeakPolarHBondContact O-CB 3.26Å; A83-A87 PolarHBondContact O-N 3.11Å; I84-A87 WeakPolarHBondContact O-CB 3.38Å; I84-A87 PolarHBondContact O-N 3.29Å; R85-A87 PolarHBondContact O-N 3.2Å; A87-A91 WeakPolarHBondContact O-CB 3.49Å; A87-A91 PolarHBondContact O-N 3.44Å
88I96.4Very high96.4Very high0 Ų028.2 Ų28.20%014%0.137CC..Hα-helixtrans-63.2-50.1177.2-66.8169.1000110.3I32 L39 P54 F63 I68 V70 I84 R85 K90 A91 L92I32-I88 HydrophobicContact CG2-CD1 4.09Å; L39-I88 HydrophobicContact CD2-CD1 3.91Å; P54-I88 HydrophobicContact CB-CG2 4.33Å; P54-I88 HydrophobicContact CG-CB 4.47Å; P54-I88 HydrophobicContact CG-CG2 4.09Å; F63-I88 HydrophobicContact CE1-CG2 3.94Å; F63-I88 HydrophobicContact CZ-CG2 4.28Å; I68-I88 HydrophobicContact CD1-CG2 4.16Å; I68-I88 HydrophobicContact CG2-CG1 4.49Å; V70-I88 HydrophobicContact CG2-CG1 4.02Å; I84-I88 HydrophobicContact CG2-CD1 3.67Å; I84-I88 HydrophobicContact CG2-CG1 4.29Å; I84-I88 WeakPolarHBondContact O-CG1 3.34Å; I84-I88 PolarHBondContact O-N 2.87Å; R85-I88 PolarHBondContact O-N 3.11Å; I88-K90 PolarHBondContact O-N 2.9Å; I88-A91 PolarHBondContact O-N 2.88Å; I88-L92 PolarHBondContact O-N 3.42Å; I88-L92 VanDerWaalsContact O-N 3.16Å
89S97.2Very high96.3Very high0 Ų027.7 Ų27.70%013%0.127CC..Hα-helixtrans-55.8-49.7177.1-66.40000112.3P54 R85 A91 L92 V93 L119P54-S89 WeakPolarHBondContact CB-OG 3.5Å; R85-S89 PolarHBondContact O-N 2.85Å; R85-S89 PolarHBondContact O-OG 2.92Å; S89-A91 VanDerWaalsContact C-N 3.34Å; S89-A91 PolarHBondContact O-N 3.25Å; S89-L92 PolarHBondContact O-N 3.39Å; S89-V93 WeakPolarHBondContact O-CG2 3.4Å; S89-V93 PolarHBondContact O-N 2.93Å; S89-L119 WeakPolarHBondContact CB-O 3.4Å
90K97.4Very high96Very high41 Ų4130.8 Ų30.818%0.17815%0.145CC..Hα-helixtrans-65.2-37.4178.9-73.2178.6172.2-177.70113.1V12 F13 Q86 I88 L92 V93 A94 L120V12-K90 HydrophobicContact CB-CB 4.39Å; V12-K90 HydrophobicContact CG1-CB 3.66Å; V12-K90 HydrophobicContact CG1-CD 4.06Å; F13-K90 WeakPolarHBondContact O-CD 3.41Å; F13-K90 PolarHBondContact O-NZ 3.32Å; Q86-K90 HydrophobicContact CG-CD 4.24Å; Q86-K90 VanDerWaalsContact NE2-NZ 3.19Å; Q86-K90 WeakPolarHBondContact O-CB 3.21Å; Q86-K90 WeakPolarHBondContact O-CG 3.48Å; Q86-K90 PolarHBondContact O-N 3.35Å; I88-K90 PolarHBondContact O-N 2.9Å; K90-L92 VanDerWaalsContact C-N 3.3Å; K90-L92 PolarHBondContact O-N 3.02Å; K90-V93 PolarHBondContact O-N 2.92Å; K90-A94 VanDerWaalsContact O-CB 3.27Å; K90-A94 WeakPolarHBondContact O-CB 3.23Å; K90-A94 PolarHBondContact O-N 3.22Å; K90-L120 WeakPolarHBondContact CE-O 3.41Å; K90-L120 HydrophobicContact CG-CD2 4.21Å; K90-L120 PolarHBondContact NZ-O 3Å
91A96.9Very high95.9Very high0 Ų031.3 Ų31.30%015%0.149CC..Hα-helixtrans-63.2-39.6-179.400000111.3A23 C25 A87 I88 S89 Y95A23-A91 HydrophobicContact CB-CB 3.84Å; C25-A91 HydrophobicContact CB-CB 4.08Å; A87-A91 WeakPolarHBondContact O-CB 3.49Å; A87-A91 PolarHBondContact O-N 3.44Å; I88-A91 PolarHBondContact O-N 2.88Å; S89-A91 VanDerWaalsContact C-N 3.34Å; S89-A91 PolarHBondContact O-N 3.25Å; A91-Y95 VanDerWaalsContact O-CB 3.29Å; A91-Y95 WeakPolarHBondContact O-CB 3.31Å; A91-Y95 PolarHBondContact O-N 3.15Å
92L95.5Very high95.8Very high0 Ų036.6 Ų36.60%017%0.174CC..Hα-helixtrans-67-49.7175.4-165.873000111.6L58 R62 F63 V66 I88 S89 K90 A94 Y95 Y96 I108L58-L92 HydrophobicContact CD1-CD2 3.53Å; R62-L92 HydrophobicContact CB-CD2 4.48Å; F63-L92 HydrophobicContact CD1-CD1 4.1Å; F63-L92 HydrophobicContact CE1-CB 4.3Å; F63-L92 HydrophobicContact CE1-CD1 4.07Å; F63-L92 HydrophobicContact CE1-CD2 3.96Å; F63-L92 HydrophobicContact CE1-CG 4.35Å; F63-L92 HydrophobicContact CE2-CD2 4.04Å; F63-L92 HydrophobicContact CZ-CD2 3.71Å; V66-L92 HydrophobicContact CG2-CD1 3.91Å; I88-L92 PolarHBondContact O-N 3.42Å; I88-L92 VanDerWaalsContact O-N 3.16Å; S89-L92 PolarHBondContact O-N 3.39Å; K90-L92 VanDerWaalsContact C-N 3.3Å; K90-L92 PolarHBondContact O-N 3.02Å; L92-A94 VanDerWaalsContact C-N 3.3Å; L92-A94 PolarHBondContact O-N 3.11Å; L92-Y95 WeakPolarHBondContact O-CB 3.43Å; L92-Y95 PolarHBondContact O-N 3.5Å; L92-Y95 VanDerWaalsContact O-N 3.13Å; L92-Y96 HydrophobicContact CD1-CD2 4.07Å; L92-Y96 HydrophobicContact CD1-CE2 3.67Å; L92-Y96 HydrophobicContact CG-CD2 4Å; L92-Y96 HydrophobicContact CG-CE2 3.93Å; L92-Y96 WeakPolarHBondContact O-CD2 3.43Å; L92-Y96 PolarHBondContact O-N 3.29Å; L92-I108 HydrophobicContact CD2-CD1 4.16Å; L92-I108 HydrophobicContact CD2-CG2 4.24Å; L92-I108 HydrophobicContact CG-CD1 4.47Å
93V96.7Very high95.7Very high14 Ų1436.4 Ų36.49%0.08519%0.186CC..Hα-helixtrans-56.5-45.1178.1172.80000111.4S89 K90 Y96 Q97 K105 I108 L112 L120S89-V93 WeakPolarHBondContact O-CG2 3.4Å; S89-V93 PolarHBondContact O-N 2.93Å; K90-V93 PolarHBondContact O-N 2.92Å; V93-Y96 PolarHBondContact O-N 2.9Å; V93-Q97 WeakPolarHBondContact O-CB 3.19Å; V93-Q97 PolarHBondContact O-N 3.4Å; V93-K105 HydrophobicContact CG1-CG 3.89Å; V93-I108 HydrophobicContact CG2-CG2 3.78Å; V93-L112 HydrophobicContact CG2-CD1 4.08Å; V93-L120 HydrophobicContact CG2-CD2 4.07Å
94A96.6Very high95.6Very high23 Ų2337.8 Ų37.819%0.1920%0.196CC..Hα-helixtrans-70.3-31.7-179.900000112.8V10 V12 K90 L92 K98V10-A94 HydrophobicContact CG1-CB 3.77Å; V12-A94 HydrophobicContact CG2-CB 3.7Å; K90-A94 VanDerWaalsContact O-CB 3.27Å; K90-A94 WeakPolarHBondContact O-CB 3.23Å; K90-A94 PolarHBondContact O-N 3.22Å; L92-A94 VanDerWaalsContact C-N 3.3Å; L92-A94 PolarHBondContact O-N 3.11Å; A94-K98 WeakPolarHBondContact O-CB 3.35Å; A94-K98 PolarHBondContact O-N 3.48Å
95Y96Very high95.5Very high15 Ų1538.2 Ų38.26%0.05920%0.197CC..Hα-helixtrans-66-47.9173.7-173.4-89.3000111.3Q8 V10 V66 A91 L92 Q97 K98 Y99 V100Q8-Y95 HydrophobicContact CB-CE2 4.43Å; V10-Y95 HydrophobicContact CG2-CD2 4.19Å; V66-Y95 HydrophobicContact CG1-CD1 3.73Å; V66-Y95 HydrophobicContact CG1-CD2 4.34Å; V66-Y95 HydrophobicContact CG1-CE1 3.53Å; V66-Y95 HydrophobicContact CG1-CE2 4.16Å; V66-Y95 HydrophobicContact CG1-CG 4.14Å; A91-Y95 VanDerWaalsContact O-CB 3.29Å; A91-Y95 WeakPolarHBondContact O-CB 3.31Å; A91-Y95 PolarHBondContact O-N 3.15Å; L92-Y95 WeakPolarHBondContact O-CB 3.43Å; L92-Y95 PolarHBondContact O-N 3.5Å; L92-Y95 VanDerWaalsContact O-N 3.13Å; Y95-Q97 VanDerWaalsContact C-N 3.35Å; Y95-Q97 PolarHBondContact O-N 3.05Å; Y95-K98 PolarHBondContact O-N 2.95Å; Y95-K98 VanDerWaalsContact O-N 3.17Å; Y95-Y99 AromaticContact CD2-CD2 3.72Å; Y95-Y99 HydrophobicContact CD2-CD2 3.72Å; Y95-Y99 HydrophobicContact CD2-CE2 4.2Å; Y95-Y99 AromaticContact CE2-CD2 3.65Å; Y95-Y99 HydrophobicContact CE2-CD2 3.65Å; Y95-Y99 HydrophobicContact CE2-CE2 4.16Å; Y95-Y99 HydrophobicContact CE2-CG 4.49Å; Y95-Y99 HydrophobicContact CG-CD2 4.23Å; Y95-Y99 PolarHBondContact O-N 3.19Å; Y95-V100 HydrophobicContact CD1-CG2 4.42Å; Y95-V100 HydrophobicContact CE1-CG2 4.33Å
96Y94.8Very high95.6Very high34 Ų3444.4 Ų44.413%0.13322%0.224CC..Hα-helixtrans-62.4-42.1177.6-86.9-108.3000111.9R62 L92 V93 K98 V100 D101 I108R62-Y96 PolarHBondContact O-OH 3.29Å; L92-Y96 HydrophobicContact CD1-CD2 4.07Å; L92-Y96 HydrophobicContact CD1-CE2 3.67Å; L92-Y96 HydrophobicContact CG-CD2 4Å; L92-Y96 HydrophobicContact CG-CE2 3.93Å; L92-Y96 WeakPolarHBondContact O-CD2 3.43Å; L92-Y96 PolarHBondContact O-N 3.29Å; V93-Y96 PolarHBondContact O-N 2.9Å; Y96-K98 VanDerWaalsContact C-N 3.26Å; Y96-K98 PolarHBondContact O-N 3.37Å; Y96-V100 HydrophobicContact CD1-CB 3.86Å; Y96-V100 HydrophobicContact CD1-CG1 4.02Å; Y96-V100 HydrophobicContact CD1-CG2 3.97Å; Y96-V100 HydrophobicContact CD2-CG2 4.44Å; Y96-V100 HydrophobicContact CE1-CB 4.39Å; Y96-V100 HydrophobicContact CE1-CG1 4.16Å; Y96-V100 HydrophobicContact CE1-CG2 4.27Å; Y96-V100 HydrophobicContact CG-CB 4.26Å; Y96-V100 HydrophobicContact CG-CG2 4.08Å; Y96-V100 PolarHBondContact O-N 3.15Å; Y96-D101 PolarHBondContact O-N 3.42Å; Y96-I108 HydrophobicContact CD1-CD1 3.76Å; Y96-I108 HydrophobicContact CD2-CD1 3.91Å; Y96-I108 HydrophobicContact CE1-CD1 3.82Å; Y96-I108 HydrophobicContact CE2-CD1 3.97Å; Y96-I108 HydrophobicContact CG-CD1 3.79Å
97Q95Very high95.5Very high111 Ų11148.9 Ų48.952%0.51925%0.245SC..Hα-helixtrans-58.3-36.3175.1-178.4174.6-6.800113.2V93 Y95 K105V93-Q97 WeakPolarHBondContact O-CB 3.19Å; V93-Q97 PolarHBondContact O-N 3.4Å; Y95-Q97 VanDerWaalsContact C-N 3.35Å; Y95-Q97 PolarHBondContact O-N 3.05Å; Q97-K105 HydrophobicContact CB-CD 3.85Å; Q97-K105 HydrophobicContact CB-CG 4.21Å; Q97-K105 HydrophobicContact CG-CD 4.15Å; Q97-K105 VanDerWaalsContact OE1-CE 3.32Å
98K94.8Very high95.3Very high133 Ų13348.9 Ų48.958%0.57825%0.245SC*.Hα-helixtrans-90.7-32.8-173.7-169.4175.2177.6-167.10113.5V10 A94 Y95 Y96V10-K98 HydrophobicContact CG2-CB 4.45Å; V10-K98 HydrophobicContact CG2-CD 4.12Å; A94-K98 WeakPolarHBondContact O-CB 3.35Å; A94-K98 PolarHBondContact O-N 3.48Å; Y95-K98 PolarHBondContact O-N 2.95Å; Y95-K98 VanDerWaalsContact O-N 3.17Å; Y96-K98 VanDerWaalsContact C-N 3.26Å; Y96-K98 PolarHBondContact O-N 3.37Å
99Y92.8Very high95.3Very high67 Ų6754.5 Ų54.526%0.26327%0.267SS..Hα-helixtrans-129.1-7-165.3-60.7-63.8000115.5L7 Q8 S9 V10 Y95L7-Y99 PolarHBondContact O-OH 3.21Å; Q8-Y99 HydrophobicContact CB-CD1 4.49Å; Q8-Y99 HydrophobicContact CB-CE1 4.33Å; Q8-Y99 HydrophobicContact CB-CE2 4.34Å; Q8-Y99 HydrophobicContact CG-CD1 4.03Å; Q8-Y99 HydrophobicContact CG-CE1 4Å; Q8-Y99 HydrophobicContact CG-CG 4.47Å; S9-Y99 PolarHBondContact N-OH 3.03Å; S9-Y99 PolarHBondContact O-OH 3.43Å; V10-Y99 HydrophobicContact CG2-CD2 4.15Å; V10-Y99 HydrophobicContact CG2-CE2 3.62Å; Y95-Y99 AromaticContact CD2-CD2 3.72Å; Y95-Y99 HydrophobicContact CD2-CD2 3.72Å; Y95-Y99 HydrophobicContact CD2-CE2 4.2Å; Y95-Y99 AromaticContact CE2-CD2 3.65Å; Y95-Y99 HydrophobicContact CE2-CD2 3.65Å; Y95-Y99 HydrophobicContact CE2-CE2 4.16Å; Y95-Y99 HydrophobicContact CE2-CG 4.49Å; Y95-Y99 HydrophobicContact CG-CD2 4.23Å; Y95-Y99 PolarHBondContact O-N 3.19Å
100V91.5Very high95.3Very high77 Ų7758.3 Ų58.347%0.46729%0.287SS..SBendtrans-117.9-92.1-178.3-166.30000109.7Y95 Y96Y95-V100 HydrophobicContact CD1-CG2 4.42Å; Y95-V100 HydrophobicContact CE1-CG2 4.33Å; Y96-V100 HydrophobicContact CD1-CB 3.86Å; Y96-V100 HydrophobicContact CD1-CG1 4.02Å; Y96-V100 HydrophobicContact CD1-CG2 3.97Å; Y96-V100 HydrophobicContact CD2-CG2 4.44Å; Y96-V100 HydrophobicContact CE1-CB 4.39Å; Y96-V100 HydrophobicContact CE1-CG1 4.16Å; Y96-V100 HydrophobicContact CE1-CG2 4.27Å; Y96-V100 HydrophobicContact CG-CB 4.26Å; Y96-V100 HydrophobicContact CG-CG2 4.08Å; Y96-V100 PolarHBondContact O-N 3.15Å
101D93.1Very high95.3Very high62 Ų6259.3 Ų59.333%0.33229%0.294SS..  trans-164.6161.3177.871.3-79.3000111.1Y96 A103 S104 K105Y96-D101 PolarHBondContact O-N 3.42Å; D101-A103 WeakPolarHBondContact OD2-CA 3.28Å; D101-A103 WeakPolarHBondContact OD2-CB 2.73Å; D101-A103 PolarHBondContact OD2-N 3.1Å; D101-S104 WeakPolarHBondContact OD1-CB 3.34Å; D101-S104 PolarHBondContact OD1-OG 2.88Å; D101-S104 PolarHBondContact OD2-N 3.3Å; D101-S104 PolarHBondContact OD2-OG 3Å; D101-K105 PolarHBondContact O-N 3.13Å
102E94.4Very high95.2Very high111 Ų11159.3 Ų59.352%0.51929%0.294SS..Hα-helixtrans-77-24.9-176.1-17066.5-161.200112.8K105 K106E102-K105 VanDerWaalsContact CD-CD 3.47Å; E102-K105 WeakPolarHBondContact OE1-CD 3.46Å; E102-K105 IonicContact OE1-NZ 2.96Å; E102-K105 PolarHBondContact OE1-NZ 2.97Å; E102-K105 WeakPolarHBondContact OE2-CD 3.46Å; E102-K105 IonicContact OE2-NZ 3.28Å; E102-K105 PolarHBondContact OE2-NZ 3.02Å; E102-K106 WeakPolarHBondContact O-CB 3.36Å; E102-K106 PolarHBondContact O-N 3.42Å
103A95.9Very high95.2Very high64 Ų6462.5 Ų62.553%0.52931%0.31SS..Hα-helixtrans-72.1-50.1179.500000111D101 K105 K106 E107D101-A103 WeakPolarHBondContact OD2-CA 3.28Å; D101-A103 WeakPolarHBondContact OD2-CB 2.73Å; D101-A103 PolarHBondContact OD2-N 3.1Å; A103-K105 PolarHBondContact O-N 3.2Å; A103-K106 WeakPolarHBondContact O-CA 3.48Å; A103-K106 WeakPolarHBondContact O-CB 3.28Å; A103-K106 PolarHBondContact O-N 3.24Å; A103-E107 PolarHBondContact O-N 2.63Å
104S94.3Very high95.2Very high29 Ų2970.1 Ų70.120%0.20335%0.345CS..Hα-helixtrans-57.7-38.9173.8-64.10000111.9D101 I108D101-S104 WeakPolarHBondContact OD1-CB 3.34Å; D101-S104 PolarHBondContact OD1-OG 2.88Å; D101-S104 PolarHBondContact OD2-N 3.3Å; D101-S104 PolarHBondContact OD2-OG 3Å; S104-I108 VanDerWaalsContact O-CG1 3.29Å; S104-I108 WeakPolarHBondContact O-CG1 2.89Å; S104-I108 PolarHBondContact O-N 3.04Å; S104-I108 VanDerWaalsContact O-N 3.17Å
105K95.8Very high95.1Very high13 Ų1374.5 Ų74.56%0.05736%0.357CS..Hα-helixtrans-62.4-43.8174.1175-141.8-178176.10111.4V93 Q97 D101 E102 A103 I108 R109V93-K105 HydrophobicContact CG1-CG 3.89Å; Q97-K105 HydrophobicContact CB-CD 3.85Å; Q97-K105 HydrophobicContact CB-CG 4.21Å; Q97-K105 HydrophobicContact CG-CD 4.15Å; Q97-K105 VanDerWaalsContact OE1-CE 3.32Å; D101-K105 PolarHBondContact O-N 3.13Å; E102-K105 VanDerWaalsContact CD-CD 3.47Å; E102-K105 WeakPolarHBondContact OE1-CD 3.46Å; E102-K105 IonicContact OE1-NZ 2.96Å; E102-K105 PolarHBondContact OE1-NZ 2.97Å; E102-K105 WeakPolarHBondContact OE2-CD 3.46Å; E102-K105 IonicContact OE2-NZ 3.28Å; E102-K105 PolarHBondContact OE2-NZ 3.02Å; A103-K105 PolarHBondContact O-N 3.2Å; K105-I108 PolarHBondContact O-N 3.19Å; K105-R109 VanDerWaalsContact O-CB 3.28Å; K105-R109 WeakPolarHBondContact O-CB 3.29Å; K105-R109 PolarHBondContact O-N 3.32Å
106K96.4Very high95.1Very high132 Ų13275.9 Ų75.957%0.57437%0.365SS*.Hα-helixtrans-61.4-46.4179.4-173.5-178.3175.8-1710111E102 A103 I108 R109 D110E102-K106 WeakPolarHBondContact O-CB 3.36Å; E102-K106 PolarHBondContact O-N 3.42Å; A103-K106 WeakPolarHBondContact O-CA 3.48Å; A103-K106 WeakPolarHBondContact O-CB 3.28Å; A103-K106 PolarHBondContact O-N 3.24Å; K106-I108 PolarHBondContact O-N 2.7Å; K106-R109 WeakPolarHBondContact O-CB 3.5Å; K106-R109 PolarHBondContact O-N 3.29Å; K106-D110 WeakPolarHBondContact CG-OD2 3.5Å; K106-D110 WeakPolarHBondContact O-CB 3.37Å; K106-D110 PolarHBondContact O-N 3.44Å
107E95.7Very high95.2Very high100 Ų10082.6 Ų82.647%0.46739%0.39SS..Hα-helixtrans-56.1-50.4175.5-67176.3-174.900112.6R62 A103 R109 D110 I111R62-E107 IonicContact CZ-OE2 3.21Å; R62-E107 IonicContact NH1-OE2 3.61Å; R62-E107 PolarHBondContact NH1-OE2 3.42Å; R62-E107 IonicContact NH2-OE2 2.61Å; R62-E107 PolarHBondContact NH2-OE2 3.36Å; A103-E107 PolarHBondContact O-N 2.63Å; E107-R109 VanDerWaalsContact C-N 3.28Å; E107-R109 PolarHBondContact O-N 3.01Å; E107-D110 PolarHBondContact O-N 2.62Å; E107-I111 WeakPolarHBondContact O-CG1 3.45Å; E107-I111 PolarHBondContact O-N 2.78Å; E107-I111 VanDerWaalsContact O-N 3.1Å
108I95.2Very high95.2Very high0 Ų079.5 Ų79.50%038%0.379CS..Hα-helixtrans-59.1-44.4179-68.3168.7000110.1L58 L92 V93 Y96 S104 K105 K106 L112L58-I108 HydrophobicContact CD1-CG2 3.73Å; L58-I108 HydrophobicContact CD2-CB 4.31Å; L58-I108 HydrophobicContact CD2-CG1 4.36Å; L58-I108 HydrophobicContact CD2-CG2 3.9Å; L58-I108 HydrophobicContact CG-CG2 4.5Å; L92-I108 HydrophobicContact CD2-CD1 4.16Å; L92-I108 HydrophobicContact CD2-CG2 4.24Å; L92-I108 HydrophobicContact CG-CD1 4.47Å; V93-I108 HydrophobicContact CG2-CG2 3.78Å; Y96-I108 HydrophobicContact CD1-CD1 3.76Å; Y96-I108 HydrophobicContact CD2-CD1 3.91Å; Y96-I108 HydrophobicContact CE1-CD1 3.82Å; Y96-I108 HydrophobicContact CE2-CD1 3.97Å; Y96-I108 HydrophobicContact CG-CD1 3.79Å; S104-I108 VanDerWaalsContact O-CG1 3.29Å; S104-I108 WeakPolarHBondContact O-CG1 2.89Å; S104-I108 PolarHBondContact O-N 3.04Å; S104-I108 VanDerWaalsContact O-N 3.17Å; K105-I108 PolarHBondContact O-N 3.19Å; K106-I108 PolarHBondContact O-N 2.7Å; I108-L112 HydrophobicContact CG2-CD1 3.77Å; I108-L112 HydrophobicContact CG2-CG 4.48Å; I108-L112 WeakPolarHBondContact O-CB 3.31Å; I108-L112 WeakPolarHBondContact O-CD1 3.49Å; I108-L112 WeakPolarHBondContact O-CG 3.46Å; I108-L112 PolarHBondContact O-N 3.01Å; I108-L112 VanDerWaalsContact O-N 3.14Å
109R96.1Very high95.3Very high119 Ų11973.2 Ų73.245%0.44935%0.352SS..Hα-helixtrans-63.3-45-179.2173.9173.5-178.5166.70.8111.4K105 K106 E107 L112 I113 L120K105-R109 VanDerWaalsContact O-CB 3.28Å; K105-R109 WeakPolarHBondContact O-CB 3.29Å; K105-R109 PolarHBondContact O-N 3.32Å; K106-R109 WeakPolarHBondContact O-CB 3.5Å; K106-R109 PolarHBondContact O-N 3.29Å; E107-R109 VanDerWaalsContact C-N 3.28Å; E107-R109 PolarHBondContact O-N 3.01Å; R109-L112 PolarHBondContact O-N 3.01Å; R109-I113 HydrophobicContact CG-CD1 3.64Å; R109-I113 HydrophobicContact CG-CG1 4.32Å; R109-I113 WeakPolarHBondContact O-CB 3.29Å; R109-I113 VanDerWaalsContact O-CG1 3.3Å; R109-I113 WeakPolarHBondContact O-CG1 3.5Å; R109-I113 PolarHBondContact O-N 3.14Å; R109-L120 HydrophobicContact CB-CD1 4.38Å; R109-L120 HydrophobicContact CG-CD1 3.74Å
110D96.5Very high95.4Very high79 Ų7971.3 Ų71.342%0.42235%0.346SS..Hα-helixtrans-66.9-43.5-175.7-68.6-15.5000110.7K106 E107 L112 I113 Q114K106-D110 WeakPolarHBondContact CG-OD2 3.5Å; K106-D110 WeakPolarHBondContact O-CB 3.37Å; K106-D110 PolarHBondContact O-N 3.44Å; E107-D110 PolarHBondContact O-N 2.62Å; D110-L112 PolarHBondContact O-N 3.44Å; D110-I113 PolarHBondContact O-N 3.25Å; D110-Q114 VanDerWaalsContact O-CB 3.32Å; D110-Q114 WeakPolarHBondContact O-CB 3.33Å; D110-Q114 PolarHBondContact O-N 3.3Å
111I96.4Very high95.6Very high63 Ų6371 Ų7132%0.32334%0.344SS..Hα-helixtrans-58.5-47.5174.3-65165.8000111.1L57 L58 E107 Y115L57-I111 HydrophobicContact CB-CG2 4.41Å; L58-I111 HydrophobicContact CD2-CB 4.27Å; L58-I111 HydrophobicContact CD2-CD1 4.4Å; L58-I111 HydrophobicContact CD2-CG2 4.12Å; E107-I111 WeakPolarHBondContact O-CG1 3.45Å; E107-I111 PolarHBondContact O-N 2.78Å; E107-I111 VanDerWaalsContact O-N 3.1Å; I111-Y115 PolarHBondContact O-N 2.71Å
112L95.9Very high95.7Very high0 Ų069.9 Ų69.90%034%0.344CS..Hα-helixtrans-66.4-41.4-179.2-67.8168.1000112.1L57 L58 V93 I108 R109 D110 D116 L119 L120L57-L112 HydrophobicContact CD1-CD2 4.44Å; L58-L112 HydrophobicContact CD1-CD1 4.2Å; L58-L112 HydrophobicContact CD1-CD2 4.06Å; L58-L112 HydrophobicContact CD1-CG 4.28Å; L58-L112 HydrophobicContact CD2-CD2 4.45Å; L58-L112 HydrophobicContact CD2-CG 4.27Å; L58-L112 HydrophobicContact CG-CD2 4.2Å; L58-L112 HydrophobicContact CG-CG 4.49Å; V93-L112 HydrophobicContact CG2-CD1 4.08Å; I108-L112 HydrophobicContact CG2-CD1 3.77Å; I108-L112 HydrophobicContact CG2-CG 4.48Å; I108-L112 WeakPolarHBondContact O-CB 3.31Å; I108-L112 WeakPolarHBondContact O-CD1 3.49Å; I108-L112 WeakPolarHBondContact O-CG 3.46Å; I108-L112 PolarHBondContact O-N 3.01Å; I108-L112 VanDerWaalsContact O-N 3.14Å; R109-L112 PolarHBondContact O-N 3.01Å; D110-L112 PolarHBondContact O-N 3.44Å; L112-D116 CarbonylContact O-C 3.46Å; L112-D116 PolarHBondContact O-N 3.37Å; L112-L119 HydrophobicContact CB-CB 4.48Å; L112-L119 HydrophobicContact CB-CD1 4.27Å; L112-L119 HydrophobicContact CD2-CD1 3.76Å; L112-L120 HydrophobicContact CB-CD1 4.42Å; L112-L120 HydrophobicContact CB-CG 4.45Å; L112-L120 HydrophobicContact CD1-CD2 4.11Å
113I95.7Very high95.7Very high67 Ų6765.9 Ų65.934%0.34433%0.326SS..Hα-helixtrans-66.9-41.4179.5-73.6176.6000111.1R109 D110 Y115 L120R109-I113 HydrophobicContact CG-CD1 3.64Å; R109-I113 HydrophobicContact CG-CG1 4.32Å; R109-I113 WeakPolarHBondContact O-CB 3.29Å; R109-I113 VanDerWaalsContact O-CG1 3.3Å; R109-I113 WeakPolarHBondContact O-CG1 3.5Å; R109-I113 PolarHBondContact O-N 3.14Å; D110-I113 PolarHBondContact O-N 3.25Å; I113-Y115 VanDerWaalsContact C-N 3.29Å; I113-Y115 PolarHBondContact O-N 2.79Å; I113-L120 HydrophobicContact CD1-CD1 3.99Å; I113-L120 HydrophobicContact CG1-CD1 3.66Å
114Q96.4Very high95.7Very high173 Ų17368.2 Ų68.281%0.80834%0.336SS*.Hα-helixtrans-62.1-38.1-180-173.7177.14.900111.7D110D110-Q114 VanDerWaalsContact O-CB 3.32Å; D110-Q114 WeakPolarHBondContact O-CB 3.33Å; D110-Q114 PolarHBondContact O-N 3.3Å
115Y95.6Very high95.8Very high115 Ų11575.6 Ų75.645%0.45136%0.359SS..Hα-helixtrans-72.4-56.1175-178.1-98.5000112.3E53 L57 I111 I113 L119E53-Y115 HydrophobicContact CG-CE1 4.18Å; E53-Y115 PolarHBondContact OE1-OH 3.2Å; E53-Y115 WeakPolarHBondContact OE2-CE1 3.37Å; L57-Y115 HydrophobicContact CD1-CD1 3.55Å; L57-Y115 HydrophobicContact CD1-CD2 4.25Å; L57-Y115 HydrophobicContact CD1-CE1 4.15Å; L57-Y115 HydrophobicContact CD1-CG 3.6Å; L57-Y115 HydrophobicContact CD2-CD2 3.82Å; L57-Y115 HydrophobicContact CD2-CE2 4.34Å; L57-Y115 HydrophobicContact CD2-CG 3.95Å; L57-Y115 HydrophobicContact CG-CG 4.42Å; I111-Y115 PolarHBondContact O-N 2.71Å; I113-Y115 VanDerWaalsContact C-N 3.29Å; I113-Y115 PolarHBondContact O-N 2.79Å; Y115-L119 HydrophobicContact CD1-CD1 3.99Å
116D95.4Very high95.8Very high44 Ų4481.2 Ų81.224%0.23538%0.38CS..  trans-158.1113.8-178.7-176.8-7.2000111.6R85 L112 T118 L119R85-D116 IonicContact CZ-OD2 2.9Å; R85-D116 IonicContact NH1-OD2 2.78Å; R85-D116 PolarHBondContact NH1-OD2 3.47Å; R85-D116 IonicContact NH2-OD2 2.62Å; R85-D116 PolarHBondContact NH2-OD2 3.2Å; L112-D116 CarbonylContact O-C 3.46Å; L112-D116 PolarHBondContact O-N 3.37Å; D116-T118 PolarHBondContact O-N 3.33Å; D116-T118 WeakPolarHBondContact OD1-CB 3.28Å; D116-T118 WeakPolarHBondContact OD1-CG2 3.3Å; D116-T118 PolarHBondContact OD1-N 2.88Å; D116-T118 PolarHBondContact OD1-OG1 3.37Å; D116-T118 PolarHBondContact OD2-OG1 3.23Å; D116-L119 HydrophobicContact CB-CD1 4.28Å; D116-L119 HydrophobicContact CB-CG 4.2Å; D116-L119 VanDerWaalsContact O-CB 3.29Å; D116-L119 WeakPolarHBondContact O-CB 3.43Å; D116-L119 WeakPolarHBondContact O-CG 3.46Å; D116-L119 PolarHBondContact O-N 3.35Å
117R95.8Very high95.7Very high175 Ų17580.5 Ų80.566%0.6639%0.39SS*.G310 helixtrans-52.6-29.5175.7-171.1178.5177.9-162.91.3113.2L119 L120 V121R117-L119 PolarHBondContact O-N 2.92Å; R117-L120 PolarHBondContact O-N 2.93Å; R117-V121 HydrophobicContact CG-CB 4.23Å; R117-V121 HydrophobicContact CG-CG2 4.14Å; R117-V121 PolarHBondContact O-N 2.8Å
118T95.6Very high95.8Very high47 Ų4780.7 Ų80.729%0.28839%0.391SS..G310 helixtrans-70.4-14.5-178.6700000114.3R85 Q86 D116 L120 V121R85-T118 PolarHBondContact NH1-OG1 3.13Å; Q86-T118 WeakPolarHBondContact CG-O 3.28Å; D116-T118 PolarHBondContact O-N 3.33Å; D116-T118 WeakPolarHBondContact OD1-CB 3.28Å; D116-T118 WeakPolarHBondContact OD1-CG2 3.3Å; D116-T118 PolarHBondContact OD1-N 2.88Å; D116-T118 PolarHBondContact OD1-OG1 3.37Å; D116-T118 PolarHBondContact OD2-OG1 3.23Å; T118-L120 PolarHBondContact O-N 3.45Å; T118-V121 VanDerWaalsContact CA-O 3.28Å; T118-V121 WeakPolarHBondContact CA-O 3.33Å
119L96Very high95.9Very high1 Ų185.2 Ų85.21%0.00542%0.423CS..G310 helixtrans-62.6-30.2171.2-72.6175.3000112.7L57 R85 Q86 S89 L112 Y115 D116 R117L57-L119 HydrophobicContact CD1-CD1 4.06Å; R85-L119 HydrophobicContact CG-CD2 3.43Å; R85-L119 VanDerWaalsContact CG-CD2 3.43Å; Q86-L119 VanDerWaalsContact CG-O 3.28Å; Q86-L119 WeakPolarHBondContact CG-O 3.41Å; S89-L119 WeakPolarHBondContact CB-O 3.4Å; L112-L119 HydrophobicContact CB-CB 4.48Å; L112-L119 HydrophobicContact CB-CD1 4.27Å; L112-L119 HydrophobicContact CD2-CD1 3.76Å; Y115-L119 HydrophobicContact CD1-CD1 3.99Å; D116-L119 HydrophobicContact CB-CD1 4.28Å; D116-L119 HydrophobicContact CB-CG 4.2Å; D116-L119 VanDerWaalsContact O-CB 3.29Å; D116-L119 WeakPolarHBondContact O-CB 3.43Å; D116-L119 WeakPolarHBondContact O-CG 3.46Å; D116-L119 PolarHBondContact O-N 3.35Å; R117-L119 PolarHBondContact O-N 2.92Å
120L95.7Very high96Very high26 Ų2686 Ų8614%0.13643%0.43CS..THydrogen-bonded Turntrans-115.4-33.6179.7-61.4-176.8000112.6Q86 K90 V93 R109 L112 I113 R117 T118Q86-L120 PolarHBondContact NE2-O 2.8Å; K90-L120 WeakPolarHBondContact CE-O 3.41Å; K90-L120 HydrophobicContact CG-CD2 4.21Å; K90-L120 PolarHBondContact NZ-O 3Å; V93-L120 HydrophobicContact CG2-CD2 4.07Å; R109-L120 HydrophobicContact CB-CD1 4.38Å; R109-L120 HydrophobicContact CG-CD1 3.74Å; L112-L120 HydrophobicContact CB-CD1 4.42Å; L112-L120 HydrophobicContact CB-CG 4.45Å; L112-L120 HydrophobicContact CD1-CD2 4.11Å; I113-L120 HydrophobicContact CD1-CD1 3.99Å; I113-L120 HydrophobicContact CG1-CD1 3.66Å; R117-L120 PolarHBondContact O-N 2.93Å; T118-L120 PolarHBondContact O-N 3.45Å
121V95.9Very high96Very high70 Ų7087.5 Ų87.542%0.42443%0.432SS..SBendtrans-107.5128.4-176.9-174.50000110.3R117 T118R117-V121 HydrophobicContact CG-CB 4.23Å; R117-V121 HydrophobicContact CG-CG2 4.14Å; R117-V121 PolarHBondContact O-N 2.8Å; T118-V121 VanDerWaalsContact CA-O 3.28Å; T118-V121 WeakPolarHBondContact CA-O 3.33Å
122A94.9Very high96Very high40 Ų4093.8 Ų93.833%0.33146%0.457SS..  trans-75.4143.4-178.800000111.1R15 Q86 P124R15-A122 HydrophobicContact CB-CB 4.5Å; Q86-A122 VanDerWaalsContact NE2-CA 3.29Å; A122-P124 WeakPolarHBondContact O-CD 3.32Å
123D94.8Very high96Very high27 Ų2795.9 Ų95.914%0.14448%0.479CS..  trans-74.2116.3172.1-176.9-12.9000109.6K16 R125K16-D123 HydrophobicContact CD-CB 4.15Å; K16-D123 IonicContact NZ-OD2 3.95Å; K16-D123 PolarHBondContact NZ-OD2 2.83Å; D123-R125 PolarHBondContact O-N 3.43Å; D123-R125 WeakPolarHBondContact OD1-CB 3.28Å; D123-R125 VanDerWaalsContact OD1-CG 3.28Å; D123-R125 WeakPolarHBondContact OD1-CG 3.35Å; D123-R125 IonicContact OD1-CZ 2.7Å; D123-R125 PolarHBondContact OD1-N 3.49Å; D123-R125 VanDerWaalsContact OD1-N 3.1Å; D123-R125 IonicContact OD1-NE 2.99Å; D123-R125 PolarHBondContact OD1-NE 3.23Å; D123-R125 IonicContact OD1-NH2 2.71Å; D123-R125 IonicContact OD2-CZ 3.98Å; D123-R125 IonicContact OD2-NE 3.47Å; D123-R125 PolarHBondContact OD2-NE 2.74Å; D123-R125 IonicContact OD2-NH2 3.64Å; D123-R125 PolarHBondContact OD2-NH2 2.78Å
124P95.8Very high96.1Very high112 Ų11292.8 Ų92.873%0.72746%0.464SS*.  trans-74.5-13.4-173.830.6-35.4000113.3A122A122-P124 WeakPolarHBondContact O-CD 3.32Å
125R95.9Very high96.1Very high185 Ų18588.2 Ų88.270%0.69845%0.449SS*.  trans-60.4141.2-172.6-65.8179.4-65.5174.2-0.2112.8D123D123-R125 PolarHBondContact O-N 3.43Å; D123-R125 WeakPolarHBondContact OD1-CB 3.28Å; D123-R125 VanDerWaalsContact OD1-CG 3.28Å; D123-R125 WeakPolarHBondContact OD1-CG 3.35Å; D123-R125 IonicContact OD1-CZ 2.7Å; D123-R125 PolarHBondContact OD1-N 3.49Å; D123-R125 VanDerWaalsContact OD1-N 3.1Å; D123-R125 IonicContact OD1-NE 2.99Å; D123-R125 PolarHBondContact OD1-NE 3.23Å; D123-R125 IonicContact OD1-NH2 2.71Å; D123-R125 IonicContact OD2-CZ 3.98Å; D123-R125 IonicContact OD2-NE 3.47Å; D123-R125 PolarHBondContact OD2-NE 2.74Å; D123-R125 IonicContact OD2-NH2 3.64Å; D123-R125 PolarHBondContact OD2-NH2 2.78Å
126R95.9Very high96.2Very high131 Ų13183.8 Ų83.849%0.49444%0.439SS..  trans-136.7157.3177.5-67.2-64.2-178-97.71.8110.2K17 E128K17-R126 PolarHBondContact O-NH1 3.34Å; K17-R126 PolarHBondContact O-NH2 3.02Å; R126-E128 PolarHBondContact O-N 3.1Å
127C95.3Very high96.3Very high116 Ų11682.8 Ų82.878%0.78444%0.436SS*.PPolyproline II helixtrans-69.7129.8176.7-69.40000109.7
128E96.6Very high96.3Very high105 Ų10583.3 Ų83.349%0.49144%0.438SS..PPolyproline II helixtrans-65.8148.2171.3-65.9178.5177.300110.2R126 A137 R138R126-E128 PolarHBondContact O-N 3.1Å; E128-A137 HydrophobicContact CB-CB 3.77Å; E128-R138 IonicContact OE1-CZ 2.8Å; E128-R138 IonicContact OE1-NE 2.8Å; E128-R138 IonicContact OE1-NH2 3.45Å; E128-R138 PolarHBondContact OE1-NH2 3.47Å; E128-R138 IonicContact OE2-CZ 3.64Å; E128-R138 IonicContact OE2-NE 3.66Å; E128-R138 PolarHBondContact OE2-NE 3.49Å; E128-R138 IonicContact OE2-NH2 2.75Å; E128-R138 PolarHBondContact OE2-NH2 3.41Å
129S97.5Very high96.4Very high94 Ų9483.8 Ų83.866%0.65745%0.447SS*.PPolyproline II helixtrans-70.1153.3175.154.20000111.7A137S129-A137 WeakPolarHBondContact O-CA 3.18Å; S129-A137 VanDerWaalsContact O-CB 3.29Å; S129-A137 WeakPolarHBondContact O-CB 3.39Å
130K97.6Very high96.4Very high137 Ų13789.7 Ų89.760%0.59647%0.469SS*.PPolyproline II helixtrans-65.3139.2171.2179.2178.5176.3178.50109.8G134K130-G134 WeakPolarHBondContact CE-O 3.29Å
131K97.2Very high96.5Very high110 Ų11095.8 Ų95.848%0.47849%0.491SS..  trans-106155.8172.2-60-177.2-177.1179.50109.6A137K131-A137 WeakPolarHBondContact CD-O 3.1Å
132F96.8Very high96.5Very high194 Ų194101.7 Ų101.785%0.85151%0.514SS*.THydrogen-bonded Turntrans-64.6162173.263-94.4000111.3
133G95.9Very high96.6Very high45 Ų45106.6 Ų106.646%0.46453%0.528SS..THydrogen-bonded Turntrans78.514.6178.200000115.2R140 Y141G133-R140 WeakPolarHBondContact O-CD 3.47Å; G133-Y141 PolarHBondContact O-N 3.48Å
134G96.9Very high96.7Very high1 Ų1110.7 Ų110.71%0.0156%0.559CS.*SBendtrans-171.2172.917500000113.4K130 G136 A139K130-G134 WeakPolarHBondContact CE-O 3.29Å; G134-G136 VanDerWaalsContact C-N 3.33Å; G134-G136 PolarHBondContact O-N 3.45Å; G134-A139 WeakPolarHBondContact CA-O 3.47Å
135P97.1Very high96.5Very high77 Ų77114.1 Ų114.150%0.556%0.559SS.*SBendtrans-74.3-21.4-179.528.1-33.1000113.2A139 Y141P135-A139 HydrophobicContact CG-CB 4.13Å; P135-Y141 HydrophobicContact CB-CE1 4.3Å; P135-Y141 HydrophobicContact CG-CE1 4.38Å
136G97.1Very high95.8Very high23 Ų23120.7 Ų120.724%0.23758%0.583CS.*SBendtrans-138.5-169.4-172.400000115.2G134 R138G134-G136 VanDerWaalsContact C-N 3.33Å; G134-G136 PolarHBondContact O-N 3.45Å; G136-R138 VanDerWaalsContact C-N 3.31Å; G136-R138 PolarHBondContact O-N 3.45Å
137A97.2Very high95.8Very high22 Ų22120.2 Ų120.218%0.18259%0.588CS.*SBendtrans-58.9-43.3178.800000112E128 S129 K131 R140E128-A137 HydrophobicContact CB-CB 3.77Å; S129-A137 WeakPolarHBondContact O-CA 3.18Å; S129-A137 VanDerWaalsContact O-CB 3.29Å; S129-A137 WeakPolarHBondContact O-CB 3.39Å; K131-A137 WeakPolarHBondContact CD-O 3.1Å; A137-R140 PolarHBondContact O-NH1 2.75Å
138R96.4Very high95.8Very high187 Ų187120.4 Ų120.471%0.70658%0.578SS**SBendtrans-117.5-40.6-174-62.3-176.4178.1-120.63114E128 G136 R140E128-R138 IonicContact OE1-CZ 2.8Å; E128-R138 IonicContact OE1-NE 2.8Å; E128-R138 IonicContact OE1-NH2 3.45Å; E128-R138 PolarHBondContact OE1-NH2 3.47Å; E128-R138 IonicContact OE2-CZ 3.64Å; E128-R138 IonicContact OE2-NE 3.66Å; E128-R138 PolarHBondContact OE2-NE 3.49Å; E128-R138 IonicContact OE2-NH2 2.75Å; E128-R138 PolarHBondContact OE2-NH2 3.41Å; G136-R138 VanDerWaalsContact C-N 3.31Å; G136-R138 PolarHBondContact O-N 3.45Å; R138-R140 PolarHBondContact O-N 2.99Å; R138-R140 PolarHBondContact O-NH1 3.21Å
139A97.1Very high95.7Very high57 Ų57121.2 Ų121.247%0.47158%0.582SS.*  trans-57.1138.8176.800000111G134 P135G134-A139 WeakPolarHBondContact CA-O 3.47Å; P135-A139 HydrophobicContact CG-CB 4.13Å
140R96.3Very high95.6Very high125 Ų125122.8 Ų122.847%0.47258%0.578SS.*  trans-116.1155.1175.9-66.5-65.4176.7-100.45.5109.5G133 A137 R138G133-R140 WeakPolarHBondContact O-CD 3.47Å; A137-R140 PolarHBondContact O-NH1 2.75Å; R138-R140 PolarHBondContact O-N 2.99Å; R138-R140 PolarHBondContact O-NH1 3.21Å
141Y97.6Very high95.5Very high153 Ų153121.9 Ų121.960%0.658%0.577SS**PPolyproline II helixtrans-62.8148.9172.8-65.4-57.5000110G133 P135 K143G133-Y141 PolarHBondContact O-N 3.48Å; P135-Y141 HydrophobicContact CB-CE1 4.3Å; P135-Y141 HydrophobicContact CG-CE1 4.38Å; Y141-K143 PolarHBondContact O-N 3.4Å
142Q97Very high95.4Very high194 Ų194122.7 Ų122.791%0.90758%0.583SS**PPolyproline II helixtrans-59.7132.3178.8-175.4175.42.100110
143K96.8Very high95.3Very high144 Ų144117.6 Ų117.663%0.62656%0.564SS**PPolyproline II helixtrans-87.7133.6175.1-174.7174.5173.9-172.30109.3Y141 Y145Y141-K143 PolarHBondContact O-N 3.4Å; K143-Y145 HydrophobicContact CB-CE2 4.29Å; K143-Y145 HydrophobicContact CD-CE1 3.93Å; K143-Y145 HydrophobicContact CD-CE2 4.49Å; K143-Y145 HydrophobicContact CG-CE1 4.39Å; K143-Y145 HydrophobicContact CG-CE2 4.31Å
144S96.1Very high95.3Very high113 Ų113123.2 Ų123.279%0.7957%0.572SS**PPolyproline II helixtrans-88.6137.716957.90000110.4
145Y91.9Very high95.1Very high184 Ų184133.4 Ų133.472%0.72262%0.619SS**  trans-111154.3173.8-61.5-87.2000109.8K143K143-Y145 HydrophobicContact CB-CE2 4.29Å; K143-Y145 HydrophobicContact CD-CE1 3.93Å; K143-Y145 HydrophobicContact CD-CE2 4.49Å; K143-Y145 HydrophobicContact CG-CE1 4.39Å; K143-Y145 HydrophobicContact CG-CE2 4.31Å
146R81.1Confident94.9Very high322 Ų322138.5 Ų138.5100%1.21563%0.63SS**  trans-1140174-71.3-176.7179.3179.7-1.3108.8

Retrieved 146 of 146 residues in 173.7 ms (Link to these results)

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