A0A077ZQU9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZQU9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 135 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
1M37.1Very low55Low242 Ų242134.8 Ų134.8100%1.19265%0.648SS**  0123.20-71.3166.3101.100108.3K3M1-K3 PolarHBondContact O-N 2.8Å
2K44.9Very low55.9Low205 Ų205133.2 Ų133.289%0.89166%0.661SS**PPolyproline II helixtrans-65.5120.7172.4-78.2-179.3175.8178.30107.3I4K2-I4 PolarHBondContact O-N 3.04Å; K2-I4 VanDerWaalsContact O-N 3.15Å
3K44.2Very low57.7Low203 Ų203136.1 Ų136.188%0.88367%0.668SS**PPolyproline II helixtrans-59119170.5-88.5-178.2172.7-179.10107.2M1M1-K3 PolarHBondContact O-N 2.8Å
4I55.3Low59Low153 Ų153129.1 Ų129.179%0.78565%0.648SS**PPolyproline II helixtrans-62126.2170.5-59.5171.4000105.8K2 Q6K2-I4 PolarHBondContact O-N 3.04Å; K2-I4 VanDerWaalsContact O-N 3.15Å; I4-Q6 PolarHBondContact O-N 3.12Å
5P52.1Low60.3Low103 Ų103132.5 Ų132.567%0.66965%0.65SS**PPolyproline II helixtrans-55.5126.4175.7-21.430.9000109.4L7P5-L7 PolarHBondContact O-N 3.08Å
6Q62.3Low61Low120 Ų120134.2 Ų134.256%0.56165%0.649SS**PPolyproline II helixtrans-65119171.9-80.6177.2-43.300108.4I4 Y8 E18I4-Q6 PolarHBondContact O-N 3.12Å; Q6-Y8 HydrophobicContact CB-CE2 3.8Å; Q6-Y8 WeakPolarHBondContact O-CD2 3.45Å; Q6-Y8 PolarHBondContact OE1-OH 2.88Å; Q6-E18 PolarHBondContact NE2-OE1 3.43Å
7L50.9Low61.5Low118 Ų118130.7 Ų130.762%0.61863%0.631SS**PPolyproline II helixtrans-88.2139.1174.8-68.4172.4000108.6P5 Y19P5-L7 PolarHBondContact O-N 3.08Å; L7-Y19 HydrophobicContact CB-CD1 4.49Å; L7-Y19 HydrophobicContact CB-CG 4.49Å; L7-Y19 WeakPolarHBondContact O-CB 3.48Å; L7-Y19 PolarHBondContact O-N 2.94Å
8Y60.1Low61.7Low125 Ų125129 Ų12949%0.4962%0.622SS.*EExtended strand (participates in β ladder)trans-121.6141.6177-64.7-94.1000109.7Q6 E17 E18Q6-Y8 HydrophobicContact CB-CE2 3.8Å; Q6-Y8 WeakPolarHBondContact O-CD2 3.45Å; Q6-Y8 PolarHBondContact OE1-OH 2.88Å; Y8-E17 CarbonylContact C-O 3.59Å; Y8-E17 VanDerWaalsContact CA-O 3.24Å; Y8-E17 WeakPolarHBondContact CA-O 3.48Å; Y8-E18 HydrophobicContact CD1-CB 4.46Å; Y8-E18 HydrophobicContact CE1-CB 4.32Å
9V65Low61.7Low42 Ų42127 Ų12726%0.25561%0.608SS.*EExtended strand (participates in β ladder)trans-117.9143.6175.8-72.20000110Y16 E17 Y19V9-Y16 WeakPolarHBondContact O-CA 3.42Å; V9-E17 HydrophobicContact CG2-CG 3.97Å; V9-E17 PolarHBondContact N-O 3.29Å; V9-E17 PolarHBondContact O-N 2.89Å; V9-Y19 HydrophobicContact CG1-CD2 3.71Å; V9-Y19 HydrophobicContact CG1-CG 4.38Å; V9-Y19 HydrophobicContact CG2-CD2 4.42Å
10K66Low61.6Low131 Ų131128.8 Ų128.857%0.5761%0.613SS**EExtended strand (participates in β ladder)trans-85.9119.5178.6-162177.4-170.4175.90109G14 R15 Y16K10-G14 WeakPolarHBondContact CE-O 3.49Å; K10-R15 CarbonylContact C-O 3.25Å; K10-R15 WeakPolarHBondContact CA-O 3.36Å; K10-Y16 HydrophobicContact CB-CD1 4.2Å; K10-Y16 HydrophobicContact CB-CE1 3.96Å; K10-Y16 HydrophobicContact CD-CE2 4.29Å; K10-Y16 HydrophobicContact CG-CE1 4.41Å; K10-Y16 HydrophobicContact CG-CE2 4.39Å
11N66.7Low61.3Low41 Ų41129.3 Ų129.322%0.21962%0.618CS.*  trans-79.1175.9178.468.225.9000112.4K13 G14 R15 E17N11-K13 PolarHBondContact O-N 3.02Å; N11-K13 VanDerWaalsContact O-N 3.12Å; N11-K13 WeakPolarHBondContact OD1-CA 3.13Å; N11-K13 WeakPolarHBondContact OD1-CB 3.22Å; N11-K13 PolarHBondContact OD1-N 3.28Å; N11-G14 WeakPolarHBondContact O-CA 3.23Å; N11-G14 PolarHBondContact O-N 3.1Å; N11-G14 PolarHBondContact OD1-N 3.37Å; N11-R15 VanDerWaalsContact CG-O 3.28Å; N11-R15 PolarHBondContact N-O 2.9Å; N11-R15 PolarHBondContact OD1-N 3.03Å; N11-R15 PolarHBondContact OD1-O 3.2Å; N11-E17 HydrophobicContact CB-CG 4.46Å; N11-E17 PolarHBondContact ND2-OE2 2.98Å
12S65.7Low62Low115 Ų115120 Ų12080%0.80458%0.576SS**THydrogen-bonded Turntrans-63.3-16.7-179.257.40000114.4G14S12-G14 VanDerWaalsContact C-N 3.29Å
13K79.8Confident61.9Low171 Ų171118.9 Ų118.974%0.74357%0.574SS**THydrogen-bonded Turntrans-91.77.8173.6-59.8-176.3-179.6179.90112.3N11 R15N11-K13 PolarHBondContact O-N 3.02Å; N11-K13 VanDerWaalsContact O-N 3.12Å; N11-K13 WeakPolarHBondContact OD1-CA 3.13Å; N11-K13 WeakPolarHBondContact OD1-CB 3.22Å; N11-K13 PolarHBondContact OD1-N 3.28Å; K13-R15 VanDerWaalsContact C-N 3.27Å; K13-R15 PolarHBondContact O-N 3.32Å
14G76Confident61.9Low38 Ų38114.4 Ų114.439%0.39256%0.556SS.*SBendtrans759.7178.900000114.8K10 N11 S12K10-G14 WeakPolarHBondContact CE-O 3.49Å; N11-G14 WeakPolarHBondContact O-CA 3.23Å; N11-G14 PolarHBondContact O-N 3.1Å; N11-G14 PolarHBondContact OD1-N 3.37Å; S12-G14 VanDerWaalsContact C-N 3.29Å
15R78.5Confident61.5Low180 Ų180113 Ų11368%0.67955%0.55SS*.  trans-94.8145.8179.8-59.2-178.8-177.9-178.8-1.5110.3K10 N11 K13K10-R15 CarbonylContact C-O 3.25Å; K10-R15 WeakPolarHBondContact CA-O 3.36Å; N11-R15 VanDerWaalsContact CG-O 3.28Å; N11-R15 PolarHBondContact N-O 2.9Å; N11-R15 PolarHBondContact OD1-N 3.03Å; N11-R15 PolarHBondContact OD1-O 3.2Å; K13-R15 VanDerWaalsContact C-N 3.27Å; K13-R15 PolarHBondContact O-N 3.32Å
16Y72Confident61.2Low160 Ų160113 Ų11363%0.62754%0.543SS*.EExtended strand (participates in β ladder)trans-84.7128174.7-72-87.7000110.3V9 K10V9-Y16 WeakPolarHBondContact O-CA 3.42Å; K10-Y16 HydrophobicContact CB-CD1 4.2Å; K10-Y16 HydrophobicContact CB-CE1 3.96Å; K10-Y16 HydrophobicContact CD-CE2 4.29Å; K10-Y16 HydrophobicContact CG-CE1 4.41Å; K10-Y16 HydrophobicContact CG-CE2 4.39Å
17E69Low60.5Low75 Ų75111 Ų11135%0.3554%0.542SS..EExtended strand (participates in β ladder)trans-124.3150.6175.862.8-165.2-171.200110.2Y8 V9 N11 Y19Y8-E17 CarbonylContact C-O 3.59Å; Y8-E17 VanDerWaalsContact CA-O 3.24Å; Y8-E17 WeakPolarHBondContact CA-O 3.48Å; V9-E17 HydrophobicContact CG2-CG 3.97Å; V9-E17 PolarHBondContact N-O 3.29Å; V9-E17 PolarHBondContact O-N 2.89Å; N11-E17 HydrophobicContact CB-CG 4.46Å; N11-E17 PolarHBondContact ND2-OE2 2.98Å; E17-Y19 PolarHBondContact O-N 2.83Å
18E64.7Low60.3Low100 Ų100111.5 Ų111.547%0.46755%0.545SS..EExtended strand (participates in β ladder)trans-62.5130.1-179.9-172.4173.8-159.800110.1Q6 Y8 K20Q6-E18 PolarHBondContact NE2-OE1 3.43Å; Y8-E18 HydrophobicContact CD1-CB 4.46Å; Y8-E18 HydrophobicContact CE1-CB 4.32Å; E18-K20 PolarHBondContact O-N 3.43Å
19Y62Low59.5Low91 Ų91108.4 Ų108.436%0.35754%0.54SS..  trans-69.7114.4178.3177.4-103.2000109.9L7 V9 E17 I21L7-Y19 HydrophobicContact CB-CD1 4.49Å; L7-Y19 HydrophobicContact CB-CG 4.49Å; L7-Y19 WeakPolarHBondContact O-CB 3.48Å; L7-Y19 PolarHBondContact O-N 2.94Å; V9-Y19 HydrophobicContact CG1-CD2 3.71Å; V9-Y19 HydrophobicContact CG1-CG 4.38Å; V9-Y19 HydrophobicContact CG2-CD2 4.42Å; E17-Y19 PolarHBondContact O-N 2.83Å; Y19-I21 HydrophobicContact CE1-CG1 4.1Å
20K59Low58.8Low162 Ų162107.7 Ų107.770%0.70453%0.534SS*.PPolyproline II helixtrans-91.5123.2172.1-61.4-170.7-178.2-172.70109.2E18 P22E18-K20 PolarHBondContact O-N 3.43Å; K20-P22 WeakPolarHBondContact O-CD 3.29Å
21I56.9Low57.8Low141 Ų141106.4 Ų106.472%0.72353%0.527SS*.PPolyproline II helixtrans-60.2123.5168.4-60.7174000106.8Y19 E23Y19-I21 HydrophobicContact CE1-CG1 4.1Å; I21-E23 PolarHBondContact O-N 3.09Å
22P50.1Low57.2Low46 Ų46105 Ų10530%0.29952%0.521SS..PPolyproline II helixtrans-57.2123.4177.5-25.334.3000111.1K20 H24 K33 V34K20-P22 WeakPolarHBondContact O-CD 3.29Å; P22-H24 VanDerWaalsContact C-N 3.31Å; P22-H24 PolarHBondContact O-N 2.85Å; P22-H24 VanDerWaalsContact O-N 3.08Å; P22-K33 WeakPolarHBondContact CB-O 3.46Å; P22-V34 HydrophobicContact CG-CG2 4.07Å
23E43.1Very low56.3Low182 Ų182103.6 Ų103.685%0.8550%0.501SS*.  trans-77.580.8168.2-72.7-179-178.400108.8I21I21-E23 PolarHBondContact O-N 3.09Å
24H44.4Very low54.9Low109 Ų10997.2 Ų97.251%0.50548%0.476SS..  trans-145.5129.9165.9-79.2-55.1000111.5P22 I26P22-H24 VanDerWaalsContact C-N 3.31Å; P22-H24 PolarHBondContact O-N 2.85Å; P22-H24 VanDerWaalsContact O-N 3.08Å; H24-I26 WeakPolarHBondContact O-CG2 3.38Å; H24-I26 PolarHBondContact O-N 2.83Å
25D46.4Very low53.7Low123 Ų12399.8 Ų99.866%0.65848%0.481SS*.  trans-62.395.9164.2-178.12000108.8S27D25-S27 PolarHBondContact O-N 3.05Å; D25-S27 VanDerWaalsContact OD1-CB 3.28Å; D25-S27 WeakPolarHBondContact OD1-CB 3.2Å; D25-S27 PolarHBondContact OD1-N 2.96Å; D25-S27 PolarHBondContact OD1-OG 3.13Å
26I46.2Very low52.4Low102 Ų10293.9 Ų93.952%0.52348%0.476SS..THydrogen-bonded Turntrans-76.80.8-177.356.9173.9000113.2H24 N28 V41H24-I26 WeakPolarHBondContact O-CG2 3.38Å; H24-I26 PolarHBondContact O-N 2.83Å; I26-N28 PolarHBondContact O-N 3.35Å; I26-V41 HydrophobicContact CB-CG1 4.5Å; I26-V41 HydrophobicContact CG2-CG2 4.38Å
27S49Very low51.3Low79 Ų7994.7 Ų94.755%0.55248%0.478SS*.THydrogen-bonded Turntrans-61.1-32.2-176.360.30000113D25D25-S27 PolarHBondContact O-N 3.05Å; D25-S27 VanDerWaalsContact OD1-CB 3.28Å; D25-S27 WeakPolarHBondContact OD1-CB 3.2Å; D25-S27 PolarHBondContact OD1-N 2.96Å; D25-S27 PolarHBondContact OD1-OG 3.13Å
28N44.8Very low50.5Low128 Ų12898.3 Ų98.368%0.68449%0.489SS*.SBendtrans-122.18.2-173.7-70.3-38.9000114.8I26 Y70I26-N28 PolarHBondContact O-N 3.35Å; N28-Y70 PolarHBondContact O-OH 3.32Å
29T44.8Very low49.6Very low61 Ų6197.7 Ų97.737%0.37449%0.486SS..  trans-118.9129.1-176.656.20000112.4Y31T29-Y31 PolarHBondContact O-N 3.22Å
30L49.6Very low49.1Very low27 Ų2796.3 Ų96.314%0.14149%0.488CS..SBendtrans-69.3-12.9170.1-69.1-163.5000113.4P40 V41 I66 Y70 L71 F75L30-P40 CarbonylContact O-C 3.45Å; L30-P40 VanDerWaalsContact O-C 3.25Å; L30-P40 WeakPolarHBondContact O-CA 3.4Å; L30-V41 PolarHBondContact O-N 2.75Å; L30-I66 HydrophobicContact CD1-CD1 3.82Å; L30-I66 HydrophobicContact CD2-CD1 3.21Å; L30-I66 HydrophobicContact CG-CD1 4.15Å; L30-Y70 HydrophobicContact CD1-CE1 3.96Å; L30-Y70 HydrophobicContact CD2-CD1 4.38Å; L30-Y70 HydrophobicContact CD2-CE1 3.6Å; L30-Y70 HydrophobicContact CG-CE1 3.69Å; L30-L71 HydrophobicContact CD1-CD2 3.57Å; L30-F75 HydrophobicContact CB-CE2 4.36Å; L30-F75 HydrophobicContact CB-CZ 3.95Å; L30-F75 HydrophobicContact CD1-CD2 3.83Å; L30-F75 HydrophobicContact CD1-CE1 4.46Å; L30-F75 HydrophobicContact CD1-CE2 3.1Å; L30-F75 HydrophobicContact CD1-CZ 3.49Å; L30-F75 VanDerWaalsContact CD1-CZ 3.49Å; L30-F75 HydrophobicContact CG-CE2 3.63Å; L30-F75 HydrophobicContact CG-CZ 3.71Å
31Y46.1Very low48.8Very low104 Ų10490.8 Ų90.841%0.40847%0.468SS..EExtended strand (participates in β ladder)trans-131123.5-177.6-64.4-98.7000110.6T29 E39 P40 F75T29-Y31 PolarHBondContact O-N 3.22Å; Y31-E39 CarbonylContact C-O 3.56Å; Y31-E39 WeakPolarHBondContact CA-O 3.05Å; Y31-P40 HydrophobicContact CD1-CB 4.41Å; Y31-P40 HydrophobicContact CD1-CG 3.99Å; Y31-P40 HydrophobicContact CE1-CB 4.3Å; Y31-P40 HydrophobicContact CE1-CG 3.59Å; Y31-F75 HydrophobicContact CE2-CE1 4.28Å
32G52.3Low48.6Very low10 Ų1086.3 Ų86.310%0.10345%0.449CS..EExtended strand (participates in β ladder)trans-85.9138165.300000109.8V34 E39G32-V34 PolarHBondContact O-N 3.38Å; G32-E39 PolarHBondContact N-O 2.86Å; G32-E39 PolarHBondContact O-N 3.5Å
33K46.7Very low48.5Very low86 Ų8689 Ų8937%0.37446%0.459SS..EExtended strand (participates in β ladder)trans-85.5104.3173.2-167.5175-177.1174.20109.9P22 R37 Y38P22-K33 WeakPolarHBondContact CB-O 3.46Å; K33-R37 CarbonylContact C-O 3.48Å; K33-R37 VanDerWaalsContact CA-O 3.29Å; K33-R37 WeakPolarHBondContact CA-O 3.47Å; K33-Y38 HydrophobicContact CB-CD1 4.37Å; K33-Y38 HydrophobicContact CB-CE1 4.21Å
34V51.9Low48.7Very low38 Ų3891.2 Ų91.223%0.2346%0.459CS..EExtended strand (participates in β ladder)trans-107.8121.1176.3-174.10000108.5P22 G32 G36 R37P22-V34 HydrophobicContact CG-CG2 4.07Å; G32-V34 PolarHBondContact O-N 3.38Å; V34-G36 PolarHBondContact O-N 3.42Å; V34-G36 VanDerWaalsContact O-N 3.09Å; V34-R37 PolarHBondContact N-O 2.91Å; V34-R37 PolarHBondContact O-N 3.31Å
35N49.2Very low48.8Very low92 Ų9289.7 Ų89.749%0.49245%0.454SS..THydrogen-bonded Turntrans47.242.6179.2-63.9-20.8000114.1R37N35-R37 VanDerWaalsContact C-N 3.33Å; N35-R37 PolarHBondContact O-N 3.07Å
36G53.1Low48.7Very low55 Ų5588.7 Ų88.757%0.56746%0.456SS*.THydrogen-bonded Turntrans83.3-2.9178.300000115.8V34V34-G36 PolarHBondContact O-N 3.42Å; V34-G36 VanDerWaalsContact O-N 3.09Å
37R48.1Very low48.7Very low177 Ų17791.6 Ų91.667%0.66847%0.467SS*.EExtended strand (participates in β ladder)trans-110.2143.6178-61.8-179179.7-172.7-2.9110.9K33 V34 N35K33-R37 CarbonylContact C-O 3.48Å; K33-R37 VanDerWaalsContact CA-O 3.29Å; K33-R37 WeakPolarHBondContact CA-O 3.47Å; V34-R37 PolarHBondContact N-O 2.91Å; V34-R37 PolarHBondContact O-N 3.31Å; N35-R37 VanDerWaalsContact C-N 3.33Å; N35-R37 PolarHBondContact O-N 3.07Å
38Y51.6Low48.8Very low152 Ų15296.9 Ų96.960%0.59648%0.483SS*.EExtended strand (participates in β ladder)trans-86.4121175-73.7-82.6000109.7K33K33-Y38 HydrophobicContact CB-CD1 4.37Å; K33-Y38 HydrophobicContact CB-CE1 4.21Å
39E46.8Very low49.3Very low86 Ų8694.1 Ų94.140%0.40247%0.468SS..EExtended strand (participates in β ladder)trans-119.6133.2177.7-65.8-168.9-164.300110.9Y31 G32 R59Y31-E39 CarbonylContact C-O 3.56Å; Y31-E39 WeakPolarHBondContact CA-O 3.05Å; G32-E39 PolarHBondContact N-O 2.86Å; G32-E39 PolarHBondContact O-N 3.5Å; E39-R59 IonicContact OE2-NH1 3.7Å
40P50.7Low49.9Very low62 Ų6296 Ų9640%0.40348%0.475SS..EExtended strand (participates in β ladder)trans-56.5142.3179.5-15.814.1000115.5L30 Y31 R59L30-P40 CarbonylContact O-C 3.45Å; L30-P40 VanDerWaalsContact O-C 3.25Å; L30-P40 WeakPolarHBondContact O-CA 3.4Å; Y31-P40 HydrophobicContact CD1-CB 4.41Å; Y31-P40 HydrophobicContact CD1-CG 3.99Å; Y31-P40 HydrophobicContact CE1-CB 4.3Å; Y31-P40 HydrophobicContact CE1-CG 3.59Å; P40-R59 VanDerWaalsContact C-NH2 3.27Å; P40-R59 PolarHBondContact O-NH2 2.69Å
41V52.7Low50.1Low46 Ų46104.2 Ų104.228%0.27951%0.513SS..PPolyproline II helixtrans-98.7119176.7-175.60000108.1I26 L30I26-V41 HydrophobicContact CB-CG1 4.5Å; I26-V41 HydrophobicContact CG2-CG2 4.38Å; L30-V41 PolarHBondContact O-N 2.75Å
42C52.9Low50.8Low47 Ų47101.6 Ų101.632%0.31852%0.517SS..PPolyproline II helixtrans-75.9131.417370.30000109.7R44 I62C42-R44 PolarHBondContact O-N 3.05Å; C42-I62 HydrophobicContact CB-CG2 3.7Å; C42-I62 VanDerWaalsContact SG-CG2 3.52Å
43M48.4Very low50.9Low103 Ų103104.1 Ų104.151%0.50753%0.531SS..  trans-73.1115.9163.6-77.3-171.4-72.700108.2I45 I66M43-I45 PolarHBondContact O-N 2.68Å; M43-I66 HydrophobicContact CE-CB 4.02Å; M43-I66 HydrophobicContact CE-CD1 4.29Å; M43-I66 HydrophobicContact CE-CG1 3.75Å
44R47.1Very low51.5Low229 Ų229103.1 Ų103.186%0.86453%0.525SS*.  trans-66.5114.3162.4-105.6-178.9-176169.71.5106.9C42 C46C42-R44 PolarHBondContact O-N 3.05Å; R44-C46 PolarHBondContact O-N 3Å
45I45.4Very low51.7Low77 Ų77102.4 Ų102.440%0.39552%0.52SS..  trans-79.6112.7172.3-57.7165.4000107.9M43 H47 L49 V65M43-I45 PolarHBondContact O-N 2.68Å; I45-H47 WeakPolarHBondContact CG2-O 3.38Å; I45-L49 HydrophobicContact CD1-CD1 4.17Å; I45-L49 HydrophobicContact CD1-CD2 3.67Å; I45-L49 HydrophobicContact CD1-CG 4.21Å; I45-L49 HydrophobicContact CG1-CD2 4.26Å; I45-L49 HydrophobicContact CG2-CD2 4.28Å; I45-V65 HydrophobicContact CD1-CB 3.43Å; I45-V65 VanDerWaalsContact CD1-CB 3.43Å; I45-V65 HydrophobicContact CD1-CG1 4.15Å; I45-V65 HydrophobicContact CD1-CG2 3.63Å; I45-V65 HydrophobicContact CG1-CB 4.39Å
46C45.7Very low52.1Low102 Ų102102.1 Ų102.169%0.68952%0.522SS*.  trans-104.16171.2-63.80000112.8R44R44-C46 PolarHBondContact O-N 3Å
47H45.8Very low52.3Low163 Ų163102.7 Ų102.776%0.75551%0.514SS*.SBendtrans-140.6163.2-174-59.6-62000111.8I45I45-H47 WeakPolarHBondContact CG2-O 3.38Å
48E51.2Low52.3Low190 Ų190103.1 Ų103.189%0.88852%0.521SS*.PPolyproline II helixtrans-58.6145.5175.9-67.6179.7173.900111.4
49L55.3Low52.4Low70 Ų7099.8 Ų99.837%0.36651%0.508SS..PPolyproline II helixtrans-82.4122177.5-69.2169.6000109.7I45 W54I45-L49 HydrophobicContact CD1-CD1 4.17Å; I45-L49 HydrophobicContact CD1-CD2 3.67Å; I45-L49 HydrophobicContact CD1-CG 4.21Å; I45-L49 HydrophobicContact CG1-CD2 4.26Å; I45-L49 HydrophobicContact CG2-CD2 4.28Å; L49-W54 HydrophobicContact CB-CZ2 4.16Å; L49-W54 HydrophobicContact CD2-CD2 3.91Å; L49-W54 HydrophobicContact CD2-CE3 3.87Å; L49-W54 HydrophobicContact CD2-CH2 3.6Å; L49-W54 HydrophobicContact CD2-CZ2 3.63Å; L49-W54 HydrophobicContact CD2-CZ3 3.71Å; L49-W54 HydrophobicContact CG-CZ2 4.5Å
50D56.4Low52.4Low101 Ų101102.6 Ų102.654%0.5453%0.533SS..PPolyproline II helixtrans-58.2154.8167.4-61.6-27.6000111.2G52 W54 R67D50-G52 PolarHBondContact O-N 2.73Å; D50-W54 PolarHBondContact O-NE1 2.76Å; D50-R67 VanDerWaalsContact CB-NH2 3.34Å; D50-R67 IonicContact OD2-CZ 3.2Å; D50-R67 IonicContact OD2-NH1 3.95Å; D50-R67 IonicContact OD2-NH2 3.84Å; D50-R67 PolarHBondContact OD2-NH2 3.42Å
51E55.3Low52.4Low198 Ų198104.8 Ų104.893%0.92555%0.55SS**SBendtrans-56132.9171.1-168.4175.3-178.100110.9
52G60.3Low52.3Low49 Ų49105.9 Ų105.951%0.50555%0.554SS.*SBendtrans161.5-179.4-179.500000114.1D50 W54D50-G52 PolarHBondContact O-N 2.73Å; G52-W54 VanDerWaalsContact O-CD1 3.29Å
53V54.6Low52.2Low64 Ų64108 Ų10839%0.38857%0.568SS.*  trans-86.3125.2172.7-1790000108.3G68 I83V53-G68 WeakPolarHBondContact O-CA 3.37Å; V53-G68 PolarHBondContact O-N 2.88Å; V53-I83 HydrophobicContact CG1-CG2 4.39Å
54W58.7Low52.8Low65 Ų65103.2 Ų103.225%0.24655%0.545CS..EExtended strand (participates in β ladder)trans-123.4143.6180-63.994.7000110.1L49 D50 G52 V65 I66 R67L49-W54 HydrophobicContact CB-CZ2 4.16Å; L49-W54 HydrophobicContact CD2-CD2 3.91Å; L49-W54 HydrophobicContact CD2-CE3 3.87Å; L49-W54 HydrophobicContact CD2-CH2 3.6Å; L49-W54 HydrophobicContact CD2-CZ2 3.63Å; L49-W54 HydrophobicContact CD2-CZ3 3.71Å; L49-W54 HydrophobicContact CG-CZ2 4.5Å; D50-W54 PolarHBondContact O-NE1 2.76Å; G52-W54 VanDerWaalsContact O-CD1 3.29Å; W54-V65 HydrophobicContact CB-CG1 3.79Å; W54-V65 HydrophobicContact CD2-CG1 4.34Å; W54-V65 HydrophobicContact CE3-CG1 3.96Å; W54-V65 HydrophobicContact CG-CG1 4.32Å; W54-I66 CarbonylContact C-O 3.57Å; W54-I66 WeakPolarHBondContact CA-O 3.39Å; W54-R67 HydrophobicContact CD2-CG 4.42Å; W54-R67 HydrophobicContact CE3-CB 4.08Å; W54-R67 HydrophobicContact CE3-CG 4.21Å; W54-R67 HydrophobicContact CH2-CB 4.32Å; W54-R67 HydrophobicContact CH2-CG 4.06Å; W54-R67 HydrophobicContact CZ2-CG 4.26Å; W54-R67 HydrophobicContact CZ3-CB 3.86Å; W54-R67 HydrophobicContact CZ3-CG 4.04Å
55V55.7Low53.4Low22 Ų2293.6 Ų93.613%0.13351%0.511CS..EExtended strand (participates in β ladder)trans-113.2125.9178.2-178.90000108.6V65 I66 L71 I83V55-V65 CarbonylContact O-C 3.59Å; V55-V65 WeakPolarHBondContact O-CA 3.43Å; V55-I66 HydrophobicContact CB-CG2 3.89Å; V55-I66 HydrophobicContact CG1-CG2 4.48Å; V55-I66 PolarHBondContact N-O 3.39Å; V55-I66 WeakPolarHBondContact O-CG2 3.24Å; V55-I66 PolarHBondContact O-N 3.36Å; V55-L71 HydrophobicContact CB-CD1 3.71Å; V55-L71 HydrophobicContact CG1-CD1 4.04Å; V55-L71 HydrophobicContact CG2-CD1 3.58Å; V55-I83 HydrophobicContact CG1-CG1 4.27Å; V55-I83 HydrophobicContact CG2-CD1 3.39Å; V55-I83 HydrophobicContact CG2-CG1 3.75Å; V55-I83 HydrophobicContact CG2-CG2 4.15Å
56V58.5Low54.2Low87 Ų8790.5 Ų90.553%0.52750%0.495SS..EExtended strand (participates in β ladder)trans-89.4114.7174.2-177.60000108.3C63 G64 V65V56-C63 WeakPolarHBondContact CG1-SG 3.49Å; V56-G64 CarbonylContact C-O 3.51Å; V56-V65 HydrophobicContact CG2-CG2 4.29Å
57T57Low54.9Low66 Ų6689.9 Ų89.941%0.40548%0.479SS..EExtended strand (participates in β ladder)trans-94.1116.4170.961.60000109.1G64 I66T57-G64 PolarHBondContact N-O 2.74Å; T57-G64 PolarHBondContact O-N 2.84Å; T57-G64 PolarHBondContact OG1-O 3.39Å; T57-I66 HydrophobicContact CG2-CG2 4.09Å
58K49.1Very low55.6Low187 Ų18782.4 Ų82.481%0.81345%0.446SS*.EExtended strand (participates in β ladder)trans-102.4127.5177.8-171.9177.7179.5179.70110.5
59R52.6Low56Low82 Ų8275.8 Ų75.831%0.30942%0.418SS..EExtended strand (participates in β ladder)trans-113.5161.1161.8-67.3-168.9179.5-174.67109.5E39 P40 S61 I62E39-R59 IonicContact OE2-NH1 3.7Å; P40-R59 VanDerWaalsContact C-NH2 3.27Å; P40-R59 PolarHBondContact O-NH2 2.69Å; R59-S61 PolarHBondContact O-N 2.82Å; R59-I62 HydrophobicContact CB-CB 4.27Å; R59-I62 PolarHBondContact N-O 2.88Å; R59-I62 PolarHBondContact O-N 3.25Å; R59-I62 VanDerWaalsContact O-O 3.13Å
60P46.1Very low56.2Low145 Ų14576 Ų7694%0.94242%0.415SS*.THydrogen-bonded Turntrans-50.8-29.3178.6-29.836.2000114.9
61S52.2Low56.1Low108 Ų10872 Ų7276%0.75539%0.394SS*.THydrogen-bonded Turntrans-119.1-2.6-177.853.10000114.8R59R59-S61 PolarHBondContact O-N 2.82Å
62I49.5Very low56Low69 Ų6968.3 Ų68.335%0.35437%0.371SS..EExtended strand (participates in β ladder)trans-144.7128.7-171.4-60.1178.2000110C42 R59C42-I62 HydrophobicContact CB-CG2 3.7Å; C42-I62 VanDerWaalsContact SG-CG2 3.52Å; R59-I62 HydrophobicContact CB-CB 4.27Å; R59-I62 PolarHBondContact N-O 2.88Å; R59-I62 PolarHBondContact O-N 3.25Å; R59-I62 VanDerWaalsContact O-O 3.13Å
63C52Low56.1Low92 Ų9272.7 Ų72.762%0.62238%0.378SS*.EExtended strand (participates in β ladder)trans-105.1117163.6-169.20000107.4V56V56-C63 WeakPolarHBondContact CG1-SG 3.49Å
64G60.6Low56.2Low2 Ų272.3 Ų72.32%0.02138%0.379CS..EExtended strand (participates in β ladder)trans-119.4142.4177.100000110.3V56 T57V56-G64 CarbonylContact C-O 3.51Å; T57-G64 PolarHBondContact N-O 2.74Å; T57-G64 PolarHBondContact O-N 2.84Å; T57-G64 PolarHBondContact OG1-O 3.39Å
65V59.5Low55.9Low26 Ų2673 Ų7316%0.15838%0.384CS..EExtended strand (participates in β ladder)trans-114.8136.9178.6-172.70000108.6I45 W54 V55 V56I45-V65 HydrophobicContact CD1-CB 3.43Å; I45-V65 VanDerWaalsContact CD1-CB 3.43Å; I45-V65 HydrophobicContact CD1-CG1 4.15Å; I45-V65 HydrophobicContact CD1-CG2 3.63Å; I45-V65 HydrophobicContact CG1-CB 4.39Å; W54-V65 HydrophobicContact CB-CG1 3.79Å; W54-V65 HydrophobicContact CD2-CG1 4.34Å; W54-V65 HydrophobicContact CE3-CG1 3.96Å; W54-V65 HydrophobicContact CG-CG1 4.32Å; V55-V65 CarbonylContact O-C 3.59Å; V55-V65 WeakPolarHBondContact O-CA 3.43Å; V56-V65 HydrophobicContact CG2-CG2 4.29Å
66I63Low56Low12 Ų1279.3 Ų79.36%0.06241%0.411CS..EExtended strand (participates in β ladder)trans-135144.8-176.3179160.5000110.8L30 M43 W54 V55 T57 G68 Y70 L71L30-I66 HydrophobicContact CD1-CD1 3.82Å; L30-I66 HydrophobicContact CD2-CD1 3.21Å; L30-I66 HydrophobicContact CG-CD1 4.15Å; M43-I66 HydrophobicContact CE-CB 4.02Å; M43-I66 HydrophobicContact CE-CD1 4.29Å; M43-I66 HydrophobicContact CE-CG1 3.75Å; W54-I66 CarbonylContact C-O 3.57Å; W54-I66 WeakPolarHBondContact CA-O 3.39Å; V55-I66 HydrophobicContact CB-CG2 3.89Å; V55-I66 HydrophobicContact CG1-CG2 4.48Å; V55-I66 PolarHBondContact N-O 3.39Å; V55-I66 WeakPolarHBondContact O-CG2 3.24Å; V55-I66 PolarHBondContact O-N 3.36Å; T57-I66 HydrophobicContact CG2-CG2 4.09Å; I66-G68 PolarHBondContact O-N 3.24Å; I66-Y70 HydrophobicContact CD1-CD1 3.9Å; I66-Y70 HydrophobicContact CD1-CE1 4.21Å; I66-Y70 HydrophobicContact CG1-CD1 4.31Å; I66-L71 HydrophobicContact CD1-CD2 3.72Å; I66-L71 HydrophobicContact CD1-CG 4.1Å; I66-L71 HydrophobicContact CG1-CD2 4.3Å; I66-L71 HydrophobicContact CG1-CG 4.13Å; I66-L71 HydrophobicContact CG2-CD1 3.71Å; I66-L71 HydrophobicContact CG2-CD2 4.43Å; I66-L71 HydrophobicContact CG2-CG 4.17Å
67R59.3Low55.7Low89 Ų8978.8 Ų78.834%0.33641%0.405SS..EExtended strand (participates in β ladder)trans-66.8126.8179.6-142.9175.5-161.7148.88.4109.9D50 W54 T69 Y70 L71D50-R67 VanDerWaalsContact CB-NH2 3.34Å; D50-R67 IonicContact OD2-CZ 3.2Å; D50-R67 IonicContact OD2-NH1 3.95Å; D50-R67 IonicContact OD2-NH2 3.84Å; D50-R67 PolarHBondContact OD2-NH2 3.42Å; W54-R67 HydrophobicContact CD2-CG 4.42Å; W54-R67 HydrophobicContact CE3-CB 4.08Å; W54-R67 HydrophobicContact CE3-CG 4.21Å; W54-R67 HydrophobicContact CH2-CB 4.32Å; W54-R67 HydrophobicContact CH2-CG 4.06Å; W54-R67 HydrophobicContact CZ2-CG 4.26Å; W54-R67 HydrophobicContact CZ3-CB 3.86Å; W54-R67 HydrophobicContact CZ3-CG 4.04Å; R67-T69 VanDerWaalsContact C-N 3.29Å; R67-T69 PolarHBondContact O-N 3.2Å; R67-Y70 WeakPolarHBondContact O-CB 2.97Å; R67-Y70 PolarHBondContact O-N 3.08Å; R67-L71 PolarHBondContact O-N 3.21Å
68G60.9Low55.5Low7 Ų781.2 Ų81.27%0.07242%0.416CS..Hα-helixtrans-64.8-31.318000000113.1V53 I66 L71 R72V53-G68 WeakPolarHBondContact O-CA 3.37Å; V53-G68 PolarHBondContact O-N 2.88Å; I66-G68 PolarHBondContact O-N 3.24Å; G68-L71 PolarHBondContact O-N 2.98Å; G68-R72 PolarHBondContact O-N 2.89Å
69T58.8Low55.1Low50 Ų5081.7 Ų81.731%0.30742%0.418SS..Hα-helixtrans-63.4-44.7173.550.70000111.6R67 L71 R72 E73R67-T69 VanDerWaalsContact C-N 3.29Å; R67-T69 PolarHBondContact O-N 3.2Å; T69-L71 VanDerWaalsContact C-N 3.31Å; T69-L71 PolarHBondContact O-N 2.89Å; T69-R72 WeakPolarHBondContact O-CB 3.18Å; T69-R72 PolarHBondContact O-N 3.28Å; T69-R72 VanDerWaalsContact O-N 3.13Å; T69-E73 WeakPolarHBondContact O-CB 3.47Å; T69-E73 WeakPolarHBondContact O-CG 3.48Å; T69-E73 PolarHBondContact O-N 3.3Å
70Y59.3Low54.7Low75 Ų7579.6 Ų79.629%0.29442%0.418SS..Hα-helixtrans-59.4-42.6175.6176-86.6000111.5N28 L30 I66 R67 E73 S74 F75N28-Y70 PolarHBondContact O-OH 3.32Å; L30-Y70 HydrophobicContact CD1-CE1 3.96Å; L30-Y70 HydrophobicContact CD2-CD1 4.38Å; L30-Y70 HydrophobicContact CD2-CE1 3.6Å; L30-Y70 HydrophobicContact CG-CE1 3.69Å; I66-Y70 HydrophobicContact CD1-CD1 3.9Å; I66-Y70 HydrophobicContact CD1-CE1 4.21Å; I66-Y70 HydrophobicContact CG1-CD1 4.31Å; R67-Y70 WeakPolarHBondContact O-CB 2.97Å; R67-Y70 PolarHBondContact O-N 3.08Å; Y70-E73 PolarHBondContact O-N 3.36Å; Y70-S74 WeakPolarHBondContact O-CB 3.36Å; Y70-S74 PolarHBondContact O-N 3.4Å; Y70-S74 PolarHBondContact O-OG 2.8Å; Y70-S74 VanDerWaalsContact O-OG 3.07Å; Y70-F75 HydrophobicContact CE1-CE2 4.03Å
71L55.4Low54.5Low18 Ų1877 Ų779%0.09441%0.409CS..Hα-helixtrans-62.5-41.2174.9-71.5178.5000112.6L30 V55 I66 R67 G68 T69 F75 L77L30-L71 HydrophobicContact CD1-CD2 3.57Å; V55-L71 HydrophobicContact CB-CD1 3.71Å; V55-L71 HydrophobicContact CG1-CD1 4.04Å; V55-L71 HydrophobicContact CG2-CD1 3.58Å; I66-L71 HydrophobicContact CD1-CD2 3.72Å; I66-L71 HydrophobicContact CD1-CG 4.1Å; I66-L71 HydrophobicContact CG1-CD2 4.3Å; I66-L71 HydrophobicContact CG1-CG 4.13Å; I66-L71 HydrophobicContact CG2-CD1 3.71Å; I66-L71 HydrophobicContact CG2-CD2 4.43Å; I66-L71 HydrophobicContact CG2-CG 4.17Å; R67-L71 PolarHBondContact O-N 3.21Å; G68-L71 PolarHBondContact O-N 2.98Å; T69-L71 VanDerWaalsContact C-N 3.31Å; T69-L71 PolarHBondContact O-N 2.89Å; L71-F75 HydrophobicContact CD2-CD2 4.31Å; L71-F75 WeakPolarHBondContact O-CA 3.38Å; L71-F75 WeakPolarHBondContact O-CB 3.48Å; L71-F75 PolarHBondContact O-N 3.44Å; L71-L77 HydrophobicContact CB-CD1 4.17Å; L71-L77 HydrophobicContact CD2-CD1 4.12Å
72R53.9Low54Low120 Ų12079.2 Ų79.245%0.45341%0.412SS..Hα-helixtrans-64.6-49.4176.9-176.6-177.6-63.2132.93.4111.7G68 T69 H76 D78G68-R72 PolarHBondContact O-N 2.89Å; T69-R72 WeakPolarHBondContact O-CB 3.18Å; T69-R72 PolarHBondContact O-N 3.28Å; T69-R72 VanDerWaalsContact O-N 3.13Å; R72-H76 WeakPolarHBondContact O-CA 3.32Å; R72-H76 PolarHBondContact O-N 3.29Å; R72-D78 WeakPolarHBondContact CD-OD1 3.28Å; R72-D78 VanDerWaalsContact CG-OD1 3.23Å; R72-D78 WeakPolarHBondContact CG-OD1 3.5Å; R72-D78 IonicContact NE-OD1 3.76Å; R72-D78 PolarHBondContact NE-OD1 2.99Å
73E60.5Low53.6Low140 Ų14078.9 Ų78.965%0.65441%0.411SS*.Hα-helixtrans-69.2-42.7-176.1-71.8165.7-165.800112T69 Y70T69-E73 WeakPolarHBondContact O-CB 3.47Å; T69-E73 WeakPolarHBondContact O-CG 3.48Å; T69-E73 PolarHBondContact O-N 3.3Å; Y70-E73 PolarHBondContact O-N 3.36Å
74S56.6Low53.2Low57 Ų5782.5 Ų82.540%0.39942%0.419SS..Hα-helixtrans-85-25.4-174-57.30000113.4Y70Y70-S74 WeakPolarHBondContact O-CB 3.36Å; Y70-S74 PolarHBondContact O-N 3.4Å; Y70-S74 PolarHBondContact O-OG 2.8Å; Y70-S74 VanDerWaalsContact O-OG 3.07Å
75F53.7Low52.4Low80 Ų8093.4 Ų93.435%0.35146%0.459SS..Hα-helixtrans-131.13.8-172.1-58.4-86.5000114.1L30 Y31 Y70 L71 L77L30-F75 HydrophobicContact CB-CE2 4.36Å; L30-F75 HydrophobicContact CB-CZ 3.95Å; L30-F75 HydrophobicContact CD1-CD2 3.83Å; L30-F75 HydrophobicContact CD1-CE1 4.46Å; L30-F75 HydrophobicContact CD1-CE2 3.1Å; L30-F75 HydrophobicContact CD1-CZ 3.49Å; L30-F75 VanDerWaalsContact CD1-CZ 3.49Å; L30-F75 HydrophobicContact CG-CE2 3.63Å; L30-F75 HydrophobicContact CG-CZ 3.71Å; Y31-F75 HydrophobicContact CE2-CE1 4.28Å; Y70-F75 HydrophobicContact CE1-CE2 4.03Å; L71-F75 HydrophobicContact CD2-CD2 4.31Å; L71-F75 WeakPolarHBondContact O-CA 3.38Å; L71-F75 WeakPolarHBondContact O-CB 3.48Å; L71-F75 PolarHBondContact O-N 3.44Å; F75-L77 HydrophobicContact CB-CD1 3.74Å; F75-L77 HydrophobicContact CB-CG 3.65Å; F75-L77 HydrophobicContact CG-CD1 4.41Å; F75-L77 PolarHBondContact O-N 3.26Å; F75-L77 VanDerWaalsContact O-N 3.08Å
76H56.8Low51.8Low153 Ų15397 Ų9771%0.70847%0.473SS*.  trans51.533.1-176.5-54.4-60.3000112.7R72 D78R72-H76 WeakPolarHBondContact O-CA 3.32Å; R72-H76 PolarHBondContact O-N 3.29Å; H76-D78 PolarHBondContact O-N 2.87Å
77L53.5Low51.1Low77 Ų7799.3 Ų99.340%0.40349%0.489SS..  trans-78.261.8178.6-67.4171.5000110.4L71 F75 K79L71-L77 HydrophobicContact CB-CD1 4.17Å; L71-L77 HydrophobicContact CD2-CD1 4.12Å; F75-L77 HydrophobicContact CB-CD1 3.74Å; F75-L77 HydrophobicContact CB-CG 3.65Å; F75-L77 HydrophobicContact CG-CD1 4.41Å; F75-L77 PolarHBondContact O-N 3.26Å; F75-L77 VanDerWaalsContact O-N 3.08Å; L77-K79 PolarHBondContact O-N 2.64Å
78D51.2Low50.4Low117 Ų117101.7 Ų101.763%0.62651%0.507SS*.THydrogen-bonded Turntrans-70-19.7169.3-72.8-42.7000112R72 H76R72-D78 WeakPolarHBondContact CD-OD1 3.28Å; R72-D78 VanDerWaalsContact CG-OD1 3.23Å; R72-D78 WeakPolarHBondContact CG-OD1 3.5Å; R72-D78 IonicContact NE-OD1 3.76Å; R72-D78 PolarHBondContact NE-OD1 2.99Å; H76-D78 PolarHBondContact O-N 2.87Å
79K42.5Very low50Low196 Ų196106 Ų10685%0.85254%0.536SS*.THydrogen-bonded Turntrans-119.333.9-174.8-75.4-171.9175.7-178.90114.2L77 A81L77-K79 PolarHBondContact O-N 2.64Å; K79-A81 PolarHBondContact O-N 3.25Å
80A43.7Very low49.6Very low39 Ų39109.4 Ų109.432%0.32255%0.547SS..  trans-68.484.4155.900000106.9D82 I83A80-D82 PolarHBondContact O-N 2.94Å; A80-D82 VanDerWaalsContact O-N 3.1Å; A80-I83 HydrophobicContact CB-CD1 3.51Å; A80-I83 HydrophobicContact CB-CG1 3.81Å; A80-I83 WeakPolarHBondContact O-CG1 3.45Å; A80-I83 PolarHBondContact O-N 3.29Å
81A40.9Very low49.3Very low91 Ų91109.7 Ų109.775%0.75255%0.551SS**THydrogen-bonded Turntrans-64.6-15.8-166.800000113.6K79K79-A81 PolarHBondContact O-N 3.25Å
82D42Very low49.5Very low153 Ų153110.2 Ų110.282%0.81856%0.562SS**THydrogen-bonded Turntrans-103.317.1-176.3-54.6-34.3000112.9A80 E84A80-D82 PolarHBondContact O-N 2.94Å; A80-D82 VanDerWaalsContact O-N 3.1Å; D82-E84 VanDerWaalsContact C-N 3.33Å; D82-E84 PolarHBondContact O-N 3.45Å
83I41Very low49.8Very low63 Ų63107.4 Ų107.432%0.32355%0.553SS.*  trans-76.288.6169.3-57.9168.7000108.4V53 V55 A80V53-I83 HydrophobicContact CG1-CG2 4.39Å; V55-I83 HydrophobicContact CG1-CG1 4.27Å; V55-I83 HydrophobicContact CG2-CD1 3.39Å; V55-I83 HydrophobicContact CG2-CG1 3.75Å; V55-I83 HydrophobicContact CG2-CG2 4.15Å; A80-I83 HydrophobicContact CB-CD1 3.51Å; A80-I83 HydrophobicContact CB-CG1 3.81Å; A80-I83 WeakPolarHBondContact O-CG1 3.45Å; A80-I83 PolarHBondContact O-N 3.29Å
84E44.4Very low49.8Very low168 Ų168105.6 Ų105.679%0.78555%0.547SS*.  trans-74.9133.5168.7-69.2-171.5173.300110.7D82 F86D82-E84 VanDerWaalsContact C-N 3.33Å; D82-E84 PolarHBondContact O-N 3.45Å; E84-F86 PolarHBondContact O-N 3.27Å
85R44.3Very low50Low230 Ų230108.5 Ų108.587%0.86855%0.554SS**  trans-65.2108.4167.2-72.8-174.7176-160.1-1108.3
86F46.9Very low50.5Low103 Ų103111 Ų11145%0.45257%0.565SS.*  trans-85121.9175.4-162.8-98000110.1E84 L88 K90 M91 I94E84-F86 PolarHBondContact O-N 3.27Å; F86-L88 PolarHBondContact O-N 2.98Å; F86-K90 HydrophobicContact CD1-CB 4.2Å; F86-K90 HydrophobicContact CE1-CB 3.34Å; F86-K90 HydrophobicContact CE2-CB 4.25Å; F86-K90 HydrophobicContact CE2-CD 3.97Å; F86-K90 HydrophobicContact CZ-CB 3.37Å; F86-K90 HydrophobicContact CZ-CD 3.9Å; F86-K90 HydrophobicContact CZ-CG 4.29Å; F86-M91 HydrophobicContact CD1-CE 3.99Å; F86-M91 HydrophobicContact CD1-CG 3.76Å; F86-M91 HydrophobicContact CE1-CG 3.7Å; F86-I94 HydrophobicContact CZ-CD1 4.35Å
87P46.7Very low50.9Low60 Ų60104.6 Ų104.639%0.3954%0.537SS..  trans-65.5132.2178.5-12.323.7000110.9S89 K90P87-S89 PolarHBondContact O-N 3.36Å; P87-S89 VanDerWaalsContact O-N 3.12Å; P87-K90 HydrophobicContact CG-CD 4.42Å; P87-K90 HydrophobicContact CG-CG 4.44Å; P87-K90 WeakPolarHBondContact O-CB 3.36Å; P87-K90 PolarHBondContact O-N 3.36Å
88L46Very low51.5Low139 Ų139103 Ų10373%0.72853%0.534SS*.Hα-helixtrans-55.7-29.8174.9-72.8174.5000112.6F86 K90 M91 G92F86-L88 PolarHBondContact O-N 2.98Å; L88-K90 PolarHBondContact O-N 3.21Å; L88-M91 HydrophobicContact CD2-SD 3.92Å; L88-M91 WeakPolarHBondContact O-CA 2.87Å; L88-M91 WeakPolarHBondContact O-CB 3.48Å; L88-M91 PolarHBondContact O-N 3.23Å; L88-G92 PolarHBondContact O-N 3.49Å
89S52.7Low52.4Low97 Ų97101.9 Ų101.968%0.67853%0.526SS*.Hα-helixtrans-58.1-34.2175.256.10000113.3P87 G92 H93P87-S89 PolarHBondContact O-N 3.36Å; P87-S89 VanDerWaalsContact O-N 3.12Å; S89-G92 PolarHBondContact O-N 3.12Å; S89-H93 PolarHBondContact O-N 3.02Å
90K50.7Low53.5Low122 Ų12296.9 Ų96.953%0.5350%0.502SS..Hα-helixtrans-73.3-27.8173.6-70.2-169.3176.1-176.80112.4F86 P87 L88 H93 I94F86-K90 HydrophobicContact CD1-CB 4.2Å; F86-K90 HydrophobicContact CE1-CB 3.34Å; F86-K90 HydrophobicContact CE2-CB 4.25Å; F86-K90 HydrophobicContact CE2-CD 3.97Å; F86-K90 HydrophobicContact CZ-CB 3.37Å; F86-K90 HydrophobicContact CZ-CD 3.9Å; F86-K90 HydrophobicContact CZ-CG 4.29Å; P87-K90 HydrophobicContact CG-CD 4.42Å; P87-K90 HydrophobicContact CG-CG 4.44Å; P87-K90 WeakPolarHBondContact O-CB 3.36Å; P87-K90 PolarHBondContact O-N 3.36Å; L88-K90 PolarHBondContact O-N 3.21Å; K90-H93 WeakPolarHBondContact O-CB 3.4Å; K90-H93 PolarHBondContact O-N 3.21Å; K90-I94 PolarHBondContact O-N 3.16Å
91M52.8Low54.6Low80 Ų8096 Ų9639%0.39449%0.491SS..Hα-helixtrans-70.2-40.3172.5-64.7-169.717300111.4F86 L88 H93 I94 Q95F86-M91 HydrophobicContact CD1-CE 3.99Å; F86-M91 HydrophobicContact CD1-CG 3.76Å; F86-M91 HydrophobicContact CE1-CG 3.7Å; L88-M91 HydrophobicContact CD2-SD 3.92Å; L88-M91 WeakPolarHBondContact O-CA 2.87Å; L88-M91 WeakPolarHBondContact O-CB 3.48Å; L88-M91 PolarHBondContact O-N 3.23Å; M91-H93 PolarHBondContact O-N 3.43Å; M91-I94 WeakPolarHBondContact O-CB 3.24Å; M91-I94 PolarHBondContact O-N 3.24Å; M91-Q95 PolarHBondContact O-N 3.16Å
92G57.9Low56Low30 Ų3095.4 Ų95.431%0.30948%0.475SS..Hα-helixtrans-58.2-33.7173.800000112.8L88 S89 K96L88-G92 PolarHBondContact O-N 3.49Å; S89-G92 PolarHBondContact O-N 3.12Å; G92-K96 VanDerWaalsContact O-CG 3.31Å; G92-K96 WeakPolarHBondContact O-CG 3.37Å; G92-K96 PolarHBondContact O-N 3.32Å
93H60.1Low57.4Low60 Ų6092 Ų9228%0.27846%0.456SS..Hα-helixtrans-65.3-45.3171.9-171.8-82.6000112.2S89 K90 M91 Q95 K96 V97 Y131S89-H93 PolarHBondContact O-N 3.02Å; K90-H93 WeakPolarHBondContact O-CB 3.4Å; K90-H93 PolarHBondContact O-N 3.21Å; M91-H93 PolarHBondContact O-N 3.43Å; H93-Q95 VanDerWaalsContact C-N 3.33Å; H93-Q95 PolarHBondContact O-N 2.98Å; H93-K96 PolarHBondContact O-N 3.2Å; H93-V97 VanDerWaalsContact O-CG2 3.25Å; H93-V97 WeakPolarHBondContact O-CG2 3.23Å; H93-V97 PolarHBondContact O-N 3.35Å; H93-Y131 AromaticContact CE1-CD1 3.82Å; H93-Y131 AromaticContact CE1-CE1 3.5Å; H93-Y131 AromaticContact NE2-CE1 3.44Å; H93-Y131 WeakPolarHBondContact NE2-CE1 3.31Å
94I61Low58.7Low102 Ų10291.9 Ų91.952%0.52345%0.454SS..Hα-helixtrans-62.5-41.3177.6-66.7165.4000111F86 K90 M91 V97 A98F86-I94 HydrophobicContact CZ-CD1 4.35Å; K90-I94 PolarHBondContact O-N 3.16Å; M91-I94 WeakPolarHBondContact O-CB 3.24Å; M91-I94 PolarHBondContact O-N 3.24Å; I94-V97 PolarHBondContact O-N 2.9Å; I94-A98 WeakPolarHBondContact O-CB 3.49Å; I94-A98 PolarHBondContact O-N 3.15Å
95Q60.6Low59.8Low118 Ų11885.3 Ų85.355%0.55142%0.424SS*.Hα-helixtrans-62.6-45.8175.9-175.5176-9.300111.4M91 H93 V97 A98 E99M91-Q95 PolarHBondContact O-N 3.16Å; H93-Q95 VanDerWaalsContact C-N 3.33Å; H93-Q95 PolarHBondContact O-N 2.98Å; Q95-V97 VanDerWaalsContact C-N 3.34Å; Q95-V97 PolarHBondContact O-N 3.05Å; Q95-A98 PolarHBondContact O-N 3.28Å; Q95-A98 VanDerWaalsContact O-N 3.17Å; Q95-E99 HydrophobicContact CG-CG 4.42Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.44Å; Q95-E99 PolarHBondContact NE2-OE1 3.08Å; Q95-E99 WeakPolarHBondContact O-CB 3.32Å; Q95-E99 WeakPolarHBondContact O-CG 3.25Å; Q95-E99 PolarHBondContact O-N 3.43Å
96K65.5Low61.1Low132 Ų13282.7 Ų82.757%0.57442%0.415SS*.Hα-helixtrans-60-41.8175-75.3175.6178.1-175.40112.8G92 H93 R100G92-K96 VanDerWaalsContact O-CG 3.31Å; G92-K96 WeakPolarHBondContact O-CG 3.37Å; G92-K96 PolarHBondContact O-N 3.32Å; H93-K96 PolarHBondContact O-N 3.2Å; K96-R100 WeakPolarHBondContact O-CB 3.25Å; K96-R100 PolarHBondContact O-N 3.19Å
97V63.8Low61.8Low19 Ų1984 Ų8412%0.11543%0.426CS..Hα-helixtrans-61.3-46.3174.4170.40000110.2H93 I94 Q95 R100 I101 V128 Y131H93-V97 VanDerWaalsContact O-CG2 3.25Å; H93-V97 WeakPolarHBondContact O-CG2 3.23Å; H93-V97 PolarHBondContact O-N 3.35Å; I94-V97 PolarHBondContact O-N 2.9Å; Q95-V97 VanDerWaalsContact C-N 3.34Å; Q95-V97 PolarHBondContact O-N 3.05Å; V97-R100 PolarHBondContact O-N 3.35Å; V97-I101 HydrophobicContact CG1-CD1 3.62Å; V97-I101 HydrophobicContact CG1-CG1 4.44Å; V97-I101 WeakPolarHBondContact O-CB 3.45Å; V97-I101 WeakPolarHBondContact O-CD1 3.23Å; V97-I101 WeakPolarHBondContact O-CG1 3.31Å; V97-I101 PolarHBondContact O-N 3.28Å; V97-V128 HydrophobicContact CG1-CG2 4.27Å; V97-Y131 HydrophobicContact CG2-CD1 3.35Å; V97-Y131 HydrophobicContact CG2-CE1 3.42Å; V97-Y131 VanDerWaalsContact CG2-CE1 3.42Å; V97-Y131 HydrophobicContact CG2-CG 4.02Å
98A66.7Low62.4Low43 Ų4383.6 Ų83.636%0.35543%0.432SS..Hα-helixtrans-64.4-45.5179.600000112.4I94 Q95 I101 I102I94-A98 WeakPolarHBondContact O-CB 3.49Å; I94-A98 PolarHBondContact O-N 3.15Å; Q95-A98 PolarHBondContact O-N 3.28Å; Q95-A98 VanDerWaalsContact O-N 3.17Å; A98-I101 PolarHBondContact O-N 3.5Å; A98-I102 WeakPolarHBondContact O-CD1 3.48Å; A98-I102 VanDerWaalsContact O-CG1 3.24Å; A98-I102 WeakPolarHBondContact O-CG1 3.5Å; A98-I102 PolarHBondContact O-N 3.02Å
99E71Confident62.9Low95 Ų9581.1 Ų81.144%0.44442%0.42SS..Hα-helixtrans-59.6-47.9176.5-75.4171.1-175.300111.2Q95 I101 I102 D103Q95-E99 HydrophobicContact CG-CG 4.42Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.44Å; Q95-E99 PolarHBondContact NE2-OE1 3.08Å; Q95-E99 WeakPolarHBondContact O-CB 3.32Å; Q95-E99 WeakPolarHBondContact O-CG 3.25Å; Q95-E99 PolarHBondContact O-N 3.43Å; E99-I101 PolarHBondContact O-N 3.49Å; E99-I102 WeakPolarHBondContact O-CB 3.47Å; E99-I102 PolarHBondContact O-N 2.91Å; E99-D103 PolarHBondContact O-N 2.9Å
100R65.5Low63Low91 Ų9182.4 Ų82.434%0.34342%0.424SS..Hα-helixtrans-63.8-40.6177.7-174169.8174.8-174.2-3.7112.4K96 V97 I102 D103 E104 E134K96-R100 WeakPolarHBondContact O-CB 3.25Å; K96-R100 PolarHBondContact O-N 3.19Å; V97-R100 PolarHBondContact O-N 3.35Å; R100-I102 VanDerWaalsContact C-N 3.32Å; R100-I102 PolarHBondContact O-N 2.97Å; R100-D103 PolarHBondContact O-N 2.98Å; R100-E104 HydrophobicContact CG-CG 4.43Å; R100-E104 IonicContact CZ-OE1 3.9Å; R100-E104 IonicContact NE-OE1 3.15Å; R100-E104 PolarHBondContact NE-OE1 3.04Å; R100-E104 VanDerWaalsContact NE-OE1 3.15Å; R100-E104 IonicContact NH2-OE1 3.81Å; R100-E104 WeakPolarHBondContact O-CB 2.92Å; R100-E104 WeakPolarHBondContact O-CG 3.45Å; R100-E104 PolarHBondContact O-N 2.87Å; R100-E134 IonicContact CZ-OE2 3.03Å; R100-E134 IonicContact NH1-OE2 3.38Å; R100-E134 PolarHBondContact NH1-OE2 3.2Å; R100-E134 IonicContact NH2-OE1 2.84Å; R100-E134 IonicContact NH2-OE2 3.66Å; R100-E134 PolarHBondContact NH2-OE2 3.49Å
101I65.8Low63.2Low19 Ų1982.4 Ų82.410%0.09743%0.429CS..Hα-helixtrans-60.5-43.6174.1-73.1166.8000110.6V97 A98 E99 D103 E104 L105 V124 L127 V128V97-I101 HydrophobicContact CG1-CD1 3.62Å; V97-I101 HydrophobicContact CG1-CG1 4.44Å; V97-I101 WeakPolarHBondContact O-CB 3.45Å; V97-I101 WeakPolarHBondContact O-CD1 3.23Å; V97-I101 WeakPolarHBondContact O-CG1 3.31Å; V97-I101 PolarHBondContact O-N 3.28Å; A98-I101 PolarHBondContact O-N 3.5Å; E99-I101 PolarHBondContact O-N 3.49Å; I101-D103 VanDerWaalsContact C-N 3.35Å; I101-E104 PolarHBondContact O-N 2.92Å; I101-L105 HydrophobicContact CG2-CD1 3.72Å; I101-L105 HydrophobicContact CG2-CG 4.31Å; I101-L105 VanDerWaalsContact O-CB 3.26Å; I101-L105 WeakPolarHBondContact O-CB 3.37Å; I101-L105 WeakPolarHBondContact O-CD1 3.49Å; I101-L105 WeakPolarHBondContact O-CG 3.44Å; I101-L105 PolarHBondContact O-N 3.15Å; I101-V124 HydrophobicContact CD1-CG1 4.39Å; I101-V124 HydrophobicContact CG2-CG2 3.96Å; I101-L127 HydrophobicContact CB-CD1 4.29Å; I101-L127 HydrophobicContact CD1-CB 4.37Å; I101-L127 HydrophobicContact CG1-CB 3.81Å; I101-L127 HydrophobicContact CG1-CD1 3.99Å; I101-L127 HydrophobicContact CG2-CD1 4.17Å; I101-V128 HydrophobicContact CD1-CG2 3.7Å
102I70.4Confident63.6Low80 Ų8085.4 Ų85.441%0.4145%0.452SS..Hα-helixtrans-62.5-43177.3-71.2164.5000110.8A98 E99 R100 L105 R106A98-I102 WeakPolarHBondContact O-CD1 3.48Å; A98-I102 VanDerWaalsContact O-CG1 3.24Å; A98-I102 WeakPolarHBondContact O-CG1 3.5Å; A98-I102 PolarHBondContact O-N 3.02Å; E99-I102 WeakPolarHBondContact O-CB 3.47Å; E99-I102 PolarHBondContact O-N 2.91Å; R100-I102 VanDerWaalsContact C-N 3.32Å; R100-I102 PolarHBondContact O-N 2.97Å; I102-L105 PolarHBondContact O-N 3.37Å; I102-R106 WeakPolarHBondContact O-CB 3.49Å; I102-R106 VanDerWaalsContact O-CG 3.24Å; I102-R106 WeakPolarHBondContact O-CG 3.28Å; I102-R106 PolarHBondContact O-N 3.43Å
103D71.9Confident64.3Low80 Ų8091.3 Ų91.343%0.42847%0.465SS..Hα-helixtrans-68.3-43179-72.3-19.6000112.2E99 R100 I101 L105 R106 L107E99-D103 PolarHBondContact O-N 2.9Å; R100-D103 PolarHBondContact O-N 2.98Å; I101-D103 VanDerWaalsContact C-N 3.35Å; D103-L105 VanDerWaalsContact C-N 3.33Å; D103-L105 PolarHBondContact O-N 2.92Å; D103-R106 WeakPolarHBondContact O-CB 3.29Å; D103-R106 PolarHBondContact O-N 3.29Å; D103-R106 IonicContact OD1-NH1 3.39Å; D103-R106 PolarHBondContact OD1-NH1 3.45Å; D103-L107 VanDerWaalsContact O-CG 3.31Å; D103-L107 WeakPolarHBondContact O-CG 3.25Å; D103-L107 PolarHBondContact O-N 3.33Å
104E67.5Low64.7Low61 Ų6194.5 Ų94.529%0.28549%0.488SS..Hα-helixtrans-64.5-37.4174.8-71.2-167.5-152.100111.9R100 I101 L107 G108 L127R100-E104 HydrophobicContact CG-CG 4.43Å; R100-E104 IonicContact CZ-OE1 3.9Å; R100-E104 IonicContact NE-OE1 3.15Å; R100-E104 PolarHBondContact NE-OE1 3.04Å; R100-E104 VanDerWaalsContact NE-OE1 3.15Å; R100-E104 IonicContact NH2-OE1 3.81Å; R100-E104 WeakPolarHBondContact O-CB 2.92Å; R100-E104 WeakPolarHBondContact O-CG 3.45Å; R100-E104 PolarHBondContact O-N 2.87Å; I101-E104 PolarHBondContact O-N 2.92Å; E104-L107 PolarHBondContact O-N 3.03Å; E104-G108 PolarHBondContact O-N 3.26Å; E104-L127 HydrophobicContact CB-CD1 4.04Å; E104-L127 WeakPolarHBondContact OE2-CD2 3.46Å
105L68.9Low65Low30 Ų3092.3 Ų92.316%0.15748%0.477CS..Hα-helixtrans-64.3-41.6171.9-75.7169.7000112.2I101 I102 D103 N109 M115 L120 L123 V124I101-L105 HydrophobicContact CG2-CD1 3.72Å; I101-L105 HydrophobicContact CG2-CG 4.31Å; I101-L105 VanDerWaalsContact O-CB 3.26Å; I101-L105 WeakPolarHBondContact O-CB 3.37Å; I101-L105 WeakPolarHBondContact O-CD1 3.49Å; I101-L105 WeakPolarHBondContact O-CG 3.44Å; I101-L105 PolarHBondContact O-N 3.15Å; I102-L105 PolarHBondContact O-N 3.37Å; D103-L105 VanDerWaalsContact C-N 3.33Å; D103-L105 PolarHBondContact O-N 2.92Å; L105-N109 WeakPolarHBondContact O-CB 3.47Å; L105-N109 PolarHBondContact O-N 3.49Å; L105-M115 HydrophobicContact CD2-CE 3.86Å; L105-L120 HydrophobicContact CD1-CD1 3.92Å; L105-L120 HydrophobicContact CD2-CD1 3.56Å; L105-L120 HydrophobicContact CG-CD1 4.43Å; L105-L123 HydrophobicContact CD2-CD2 3.29Å; L105-L123 HydrophobicContact CD2-CG 4Å; L105-L123 HydrophobicContact CG-CD2 4.45Å; L105-V124 HydrophobicContact CD1-CG2 4.25Å
106R70.1Confident65.6Low176 Ų17690.3 Ų90.366%0.66447%0.473SS*.Hα-helixtrans-63.8-41.9176.2-76.9168.4174.1170.5-3111.8I102 D103I102-R106 WeakPolarHBondContact O-CB 3.49Å; I102-R106 VanDerWaalsContact O-CG 3.24Å; I102-R106 WeakPolarHBondContact O-CG 3.28Å; I102-R106 PolarHBondContact O-N 3.43Å; D103-R106 WeakPolarHBondContact O-CB 3.29Å; D103-R106 PolarHBondContact O-N 3.29Å; D103-R106 IonicContact OD1-NH1 3.39Å; D103-R106 PolarHBondContact OD1-NH1 3.45Å
107L63.2Low65.7Low130 Ų13090.4 Ų90.468%0.68148%0.479SS*.Hα-helixtrans-69.9-41.4178.4-69.9171.9000112.3D103 E104 N109 T110D103-L107 VanDerWaalsContact O-CG 3.31Å; D103-L107 WeakPolarHBondContact O-CG 3.25Å; D103-L107 PolarHBondContact O-N 3.33Å; E104-L107 PolarHBondContact O-N 3.03Å; L107-N109 VanDerWaalsContact C-N 3.32Å; L107-N109 PolarHBondContact O-N 3.36Å; L107-T110 WeakPolarHBondContact O-CG2 3.34Å; L107-T110 PolarHBondContact O-OG1 3.45Å; L107-T110 VanDerWaalsContact O-OG1 3.1Å
108G58.2Low65.9Low51 Ų5195.4 Ų95.453%0.52651%0.506SS..Hα-helixtrans-72.1-22.7178.600000114.1E104 T110E104-G108 PolarHBondContact O-N 3.26Å; G108-T110 PolarHBondContact O-N 2.87Å
109N55.7Low66.1Low88 Ų8896.4 Ų96.447%0.47150%0.503SS..THydrogen-bonded Turntrans-84.925.1178.6-156.537.9000113.3L105 L107L105-N109 WeakPolarHBondContact O-CB 3.47Å; L105-N109 PolarHBondContact O-N 3.49Å; L107-N109 VanDerWaalsContact C-N 3.32Å; L107-N109 PolarHBondContact O-N 3.36Å
110T56Low65.9Low124 Ų12495.1 Ų95.176%0.76150%0.499SS*.THydrogen-bonded Turntrans-70.8-19.3167.142.20000112L107 G108L107-T110 WeakPolarHBondContact O-CG2 3.34Å; L107-T110 PolarHBondContact O-OG1 3.45Å; L107-T110 VanDerWaalsContact O-OG1 3.1Å; G108-T110 PolarHBondContact O-N 2.87Å
111D55.1Low66.1Low122 Ų12295 Ų9565%0.65251%0.508SS*.SBendtrans-81.8128.9173.2-130-24.4000110.5R113D111-R113 PolarHBondContact O-N 2.84Å
112T59.8Low66.4Low142 Ų142101.7 Ų101.787%0.87154%0.536SS*.SBendtrans-64.6-2.3-171.653.70000115V114T112-V114 PolarHBondContact O-N 3.16Å
113R72.7Confident66.4Low155 Ų155101.2 Ų101.259%0.58553%0.534SS*.SBendtrans-87.4111.9-179.6-164.7-17581122.75.4110.9D111 M115 E119D111-R113 PolarHBondContact O-N 2.84Å; R113-M115 PolarHBondContact O-N 2.8Å; R113-E119 IonicContact CZ-OE1 2.68Å; R113-E119 IonicContact NH1-OE1 3.29Å; R113-E119 VanDerWaalsContact NH2-CD 3.25Å; R113-E119 IonicContact NH2-OE1 3.75Å; R113-E119 PolarHBondContact NH2-OE1 3.08Å; R113-E119 IonicContact NH2-OE2 3.29Å; R113-E119 PolarHBondContact NH2-OE2 3.03Å
114V68.9Low66.4Low126 Ų12699.7 Ų99.776%0.76453%0.527SS*.PPolyproline II helixtrans-54.4121.5170.9-177.50000110.1T112T112-V114 PolarHBondContact O-N 3.16Å
115M68.5Low66.5Low57 Ų57100 Ų10028%0.28153%0.534SS..PPolyproline II helixtrans-65.1141173.6-74-174.4-81.100111.2L105 R113 E119 L120 L123L105-M115 HydrophobicContact CD2-CE 3.86Å; R113-M115 PolarHBondContact O-N 2.8Å; M115-E119 HydrophobicContact CB-CB 4.38Å; M115-L120 HydrophobicContact CE-CD1 4.43Å; M115-L123 HydrophobicContact CE-CD2 4.3Å; M115-L123 HydrophobicContact SD-CD2 3.91Å
116T72.7Confident66.6Low75 Ų75100.4 Ų100.446%0.4655%0.545SS..PPolyproline II helixtrans-70.8156.9167.764.40000110.6N118 E119 L120T116-N118 PolarHBondContact O-N 2.95Å; T116-N118 VanDerWaalsContact O-N 3.16Å; T116-E119 WeakPolarHBondContact CB-OE2 3.45Å; T116-E119 WeakPolarHBondContact CG2-OE2 3.19Å; T116-E119 PolarHBondContact N-OE2 2.92Å; T116-E119 PolarHBondContact O-N 2.98Å; T116-E119 VanDerWaalsContact O-N 3.08Å; T116-E119 VanDerWaalsContact OG1-CD 3.22Å; T116-E119 VanDerWaalsContact OG1-CG 3.28Å; T116-E119 WeakPolarHBondContact OG1-CG 3.39Å; T116-E119 PolarHBondContact OG1-N 3.31Å; T116-E119 PolarHBondContact OG1-OE2 3.47Å; T116-L120 PolarHBondContact O-N 2.94Å
117N67Low66.6Low134 Ų13493 Ų9372%0.71752%0.518SS*.Hα-helixtrans-54.3-36.6175.4-70.3-10.9000112.6L120 V121N117-L120 PolarHBondContact O-N 3.46Å; N117-V121 VanDerWaalsContact O-CG2 3.25Å; N117-V121 WeakPolarHBondContact O-CG2 3.24Å; N117-V121 PolarHBondContact O-N 3.36Å
118N68.8Low66.7Low125 Ų12589.2 Ų89.267%0.66850%0.501SS*.Hα-helixtrans-68.7-39.2178.5-83.4-8.6000112.7T116 V121 K122T116-N118 PolarHBondContact O-N 2.95Å; T116-N118 VanDerWaalsContact O-N 3.16Å; N118-V121 PolarHBondContact O-N 3.49Å; N118-K122 WeakPolarHBondContact O-CB 3.48Å; N118-K122 WeakPolarHBondContact O-CG 3.48Å; N118-K122 PolarHBondContact O-N 3.36Å
119E69.6Low67.3Low64 Ų6494.4 Ų94.430%0.29951%0.506SS..Hα-helixtrans-66.8-42.6175.8-71.6161.4149.900110.7R113 M115 T116 V121 K122 L123R113-E119 IonicContact CZ-OE1 2.68Å; R113-E119 IonicContact NH1-OE1 3.29Å; R113-E119 VanDerWaalsContact NH2-CD 3.25Å; R113-E119 IonicContact NH2-OE1 3.75Å; R113-E119 PolarHBondContact NH2-OE1 3.08Å; R113-E119 IonicContact NH2-OE2 3.29Å; R113-E119 PolarHBondContact NH2-OE2 3.03Å; M115-E119 HydrophobicContact CB-CB 4.38Å; T116-E119 WeakPolarHBondContact CB-OE2 3.45Å; T116-E119 WeakPolarHBondContact CG2-OE2 3.19Å; T116-E119 PolarHBondContact N-OE2 2.92Å; T116-E119 PolarHBondContact O-N 2.98Å; T116-E119 VanDerWaalsContact O-N 3.08Å; T116-E119 VanDerWaalsContact OG1-CD 3.22Å; T116-E119 VanDerWaalsContact OG1-CG 3.28Å; T116-E119 WeakPolarHBondContact OG1-CG 3.39Å; T116-E119 PolarHBondContact OG1-N 3.31Å; T116-E119 PolarHBondContact OG1-OE2 3.47Å; E119-V121 PolarHBondContact O-N 3.49Å; E119-K122 PolarHBondContact O-N 3.01Å; E119-L123 WeakPolarHBondContact O-CB 3.4Å; E119-L123 PolarHBondContact O-N 3.17Å
120L68.3Low67.8Low68 Ų6895.1 Ų95.136%0.35651%0.505SS..Hα-helixtrans-58.5-47.5174.5-176.965.5000111.4L105 M115 T116 N117 K122 L123 V124L105-L120 HydrophobicContact CD1-CD1 3.92Å; L105-L120 HydrophobicContact CD2-CD1 3.56Å; L105-L120 HydrophobicContact CG-CD1 4.43Å; M115-L120 HydrophobicContact CE-CD1 4.43Å; T116-L120 PolarHBondContact O-N 2.94Å; N117-L120 PolarHBondContact O-N 3.46Å; L120-K122 PolarHBondContact O-N 2.83Å; L120-L123 PolarHBondContact O-N 2.91Å; L120-V124 HydrophobicContact CD1-CG2 4.43Å; L120-V124 WeakPolarHBondContact O-CB 3.43Å; L120-V124 VanDerWaalsContact O-CG2 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.13Å; L120-V124 PolarHBondContact O-N 3.15Å
121V68.9Low68.1Low87 Ų8791.2 Ų91.253%0.52748%0.476SS..Hα-helixtrans-61.2-46177.2168.90000111.2N117 N118 E119 L123 V124 V125N117-V121 VanDerWaalsContact O-CG2 3.25Å; N117-V121 WeakPolarHBondContact O-CG2 3.24Å; N117-V121 PolarHBondContact O-N 3.36Å; N118-V121 PolarHBondContact O-N 3.49Å; E119-V121 PolarHBondContact O-N 3.49Å; V121-L123 VanDerWaalsContact C-N 3.33Å; V121-L123 PolarHBondContact O-N 3.28Å; V121-V124 PolarHBondContact O-N 3.43Å; V121-V125 HydrophobicContact CG1-CG2 4.33Å; V121-V125 WeakPolarHBondContact O-CB 3.47Å; V121-V125 VanDerWaalsContact O-CG2 3.23Å; V121-V125 WeakPolarHBondContact O-CG2 3.26Å; V121-V125 PolarHBondContact O-N 2.81Å
122K72.5Confident68.4Low161 Ų16189.8 Ų89.870%0.747%0.468SS*.Hα-helixtrans-61.5-41.3177.9-76.9-179.8179-1760112.3N118 E119 L120 V125 G126N118-K122 WeakPolarHBondContact O-CB 3.48Å; N118-K122 WeakPolarHBondContact O-CG 3.48Å; N118-K122 PolarHBondContact O-N 3.36Å; E119-K122 PolarHBondContact O-N 3.01Å; L120-K122 PolarHBondContact O-N 2.83Å; K122-V125 PolarHBondContact O-N 2.94Å; K122-G126 PolarHBondContact O-N 2.89Å
123L71.1Confident68.9Low69 Ų6990.8 Ų90.836%0.36146%0.463SS..Hα-helixtrans-64.7-50.4178.2-177.457.2000110.8L105 M115 E119 L120 V121 V125 G126 L127L105-L123 HydrophobicContact CD2-CD2 3.29Å; L105-L123 HydrophobicContact CD2-CG 4Å; L105-L123 HydrophobicContact CG-CD2 4.45Å; M115-L123 HydrophobicContact CE-CD2 4.3Å; M115-L123 HydrophobicContact SD-CD2 3.91Å; E119-L123 WeakPolarHBondContact O-CB 3.4Å; E119-L123 PolarHBondContact O-N 3.17Å; L120-L123 PolarHBondContact O-N 2.91Å; V121-L123 VanDerWaalsContact C-N 3.33Å; V121-L123 PolarHBondContact O-N 3.28Å; L123-V125 VanDerWaalsContact C-N 3.33Å; L123-V125 PolarHBondContact O-N 2.68Å; L123-G126 PolarHBondContact O-N 3.46Å; L123-L127 HydrophobicContact CD1-CD1 4.4Å; L123-L127 HydrophobicContact CD1-CG 4.34Å; L123-L127 HydrophobicContact CG-CD1 4.32Å; L123-L127 VanDerWaalsContact O-CG 3.29Å; L123-L127 WeakPolarHBondContact O-CG 3.41Å; L123-L127 PolarHBondContact O-N 3.29Å
124V70.6Confident68.6Low48 Ų4888.3 Ų88.329%0.29146%0.458SS..Hα-helixtrans-56.5-46.6176.1171.30000111.1I101 L105 L120 V121 L127 V128I101-V124 HydrophobicContact CD1-CG1 4.39Å; I101-V124 HydrophobicContact CG2-CG2 3.96Å; L105-V124 HydrophobicContact CD1-CG2 4.25Å; L120-V124 HydrophobicContact CD1-CG2 4.43Å; L120-V124 WeakPolarHBondContact O-CB 3.43Å; L120-V124 VanDerWaalsContact O-CG2 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.13Å; L120-V124 PolarHBondContact O-N 3.15Å; V121-V124 PolarHBondContact O-N 3.43Å; V124-L127 PolarHBondContact O-N 3.45Å; V124-V128 VanDerWaalsContact O-CG2 3.32Å; V124-V128 WeakPolarHBondContact O-CG2 3.42Å; V124-V128 PolarHBondContact O-N 2.87Å
125V70.5Confident67.9Low68 Ų6888.6 Ų88.641%0.41246%0.46SS..Hα-helixtrans-61.7-46.2177.8169.90000111.2V121 K122 L123 L127 V128 Y129V121-V125 HydrophobicContact CG1-CG2 4.33Å; V121-V125 WeakPolarHBondContact O-CB 3.47Å; V121-V125 VanDerWaalsContact O-CG2 3.23Å; V121-V125 WeakPolarHBondContact O-CG2 3.26Å; V121-V125 PolarHBondContact O-N 2.81Å; K122-V125 PolarHBondContact O-N 2.94Å; L123-V125 VanDerWaalsContact C-N 3.33Å; L123-V125 PolarHBondContact O-N 2.68Å; V125-L127 VanDerWaalsContact C-N 3.33Å; V125-L127 PolarHBondContact O-N 3.19Å; V125-V128 PolarHBondContact O-N 3.45Å; V125-Y129 HydrophobicContact CG1-CD2 3.72Å; V125-Y129 HydrophobicContact CG1-CE2 3.57Å; V125-Y129 VanDerWaalsContact O-CD2 3.24Å; V125-Y129 WeakPolarHBondContact O-CD2 3.24Å; V125-Y129 PolarHBondContact O-N 3.5Å
126G70.9Confident67.9Low39 Ų3990.2 Ų90.240%0.40247%0.469SS..Hα-helixtrans-60.1-40.8177.500000113.1K122 L123 Y129 K130K122-G126 PolarHBondContact O-N 2.89Å; L123-G126 PolarHBondContact O-N 3.46Å; G126-Y129 PolarHBondContact O-N 2.86Å; G126-K130 WeakPolarHBondContact O-CB 3.45Å; G126-K130 PolarHBondContact O-N 2.89Å
127L68.8Low67.7Low19 Ų1990.9 Ų90.910%0.09947%0.469CS..Hα-helixtrans-66.3-40.2176.6-67.8179.8000112.7I101 E104 L123 V124 V125 Y129 K130 Y131I101-L127 HydrophobicContact CB-CD1 4.29Å; I101-L127 HydrophobicContact CD1-CB 4.37Å; I101-L127 HydrophobicContact CG1-CB 3.81Å; I101-L127 HydrophobicContact CG1-CD1 3.99Å; I101-L127 HydrophobicContact CG2-CD1 4.17Å; E104-L127 HydrophobicContact CB-CD1 4.04Å; E104-L127 WeakPolarHBondContact OE2-CD2 3.46Å; L123-L127 HydrophobicContact CD1-CD1 4.4Å; L123-L127 HydrophobicContact CD1-CG 4.34Å; L123-L127 HydrophobicContact CG-CD1 4.32Å; L123-L127 VanDerWaalsContact O-CG 3.29Å; L123-L127 WeakPolarHBondContact O-CG 3.41Å; L123-L127 PolarHBondContact O-N 3.29Å; V124-L127 PolarHBondContact O-N 3.45Å; V125-L127 VanDerWaalsContact C-N 3.33Å; V125-L127 PolarHBondContact O-N 3.19Å; L127-Y129 VanDerWaalsContact C-N 3.34Å; L127-K130 PolarHBondContact O-N 3.17Å; L127-Y131 WeakPolarHBondContact O-CB 3.18Å; L127-Y131 PolarHBondContact O-N 2.91Å
128V65.9Low67.7Low52 Ų5288.6 Ų88.632%0.31546%0.456SS..Hα-helixtrans-61-43.9174.2170.90000111V97 I101 V124 V125 N132V97-V128 HydrophobicContact CG1-CG2 4.27Å; I101-V128 HydrophobicContact CD1-CG2 3.7Å; V124-V128 VanDerWaalsContact O-CG2 3.32Å; V124-V128 WeakPolarHBondContact O-CG2 3.42Å; V124-V128 PolarHBondContact O-N 2.87Å; V125-V128 PolarHBondContact O-N 3.45Å; V128-N132 WeakPolarHBondContact O-CB 3.39Å; V128-N132 PolarHBondContact O-N 2.89Å; V128-N132 VanDerWaalsContact O-N 3.08Å
129Y71.4Confident67.6Low159 Ų15986.4 Ų86.462%0.62444%0.443SS*.Hα-helixtrans-63.1-49176.6-84.5-70.2000112.1V125 G126 L127 Y131 N132 E133V125-Y129 HydrophobicContact CG1-CD2 3.72Å; V125-Y129 HydrophobicContact CG1-CE2 3.57Å; V125-Y129 VanDerWaalsContact O-CD2 3.24Å; V125-Y129 WeakPolarHBondContact O-CD2 3.24Å; V125-Y129 PolarHBondContact O-N 3.5Å; G126-Y129 PolarHBondContact O-N 2.86Å; L127-Y129 VanDerWaalsContact C-N 3.34Å; Y129-Y131 VanDerWaalsContact C-N 3.31Å; Y129-Y131 PolarHBondContact O-N 3.28Å; Y129-N132 PolarHBondContact O-N 3.47Å; Y129-E133 PolarHBondContact O-N 3.05Å; Y129-E133 VanDerWaalsContact O-N 3.16Å
130K66.4Low67.5Low104 Ų10487.8 Ų87.845%0.45245%0.452SS..Hα-helixtrans-57.5-43.3178.4-174.3-177.6175-170.90112G126 L127 E133 E134G126-K130 WeakPolarHBondContact O-CB 3.45Å; G126-K130 PolarHBondContact O-N 2.89Å; L127-K130 PolarHBondContact O-N 3.17Å; K130-E133 PolarHBondContact O-N 3.49Å; K130-E134 VanDerWaalsContact CE-OE1 3.23Å; K130-E134 WeakPolarHBondContact CE-OE1 3.5Å; K130-E134 WeakPolarHBondContact O-CG 3.47Å; K130-E134 PolarHBondContact O-N 3.1Å; K130-E134 VanDerWaalsContact O-N 3.16Å
131Y61.8Low67.5Low41 Ų4189.1 Ų89.116%0.16146%0.459CS..Hα-helixtrans-68.6-37.2179.5-166.6-91.4000112.6H93 V97 L127 Y129 E133 E134 V135H93-Y131 AromaticContact CE1-CD1 3.82Å; H93-Y131 AromaticContact CE1-CE1 3.5Å; H93-Y131 AromaticContact NE2-CE1 3.44Å; H93-Y131 WeakPolarHBondContact NE2-CE1 3.31Å; V97-Y131 HydrophobicContact CG2-CD1 3.35Å; V97-Y131 HydrophobicContact CG2-CE1 3.42Å; V97-Y131 VanDerWaalsContact CG2-CE1 3.42Å; V97-Y131 HydrophobicContact CG2-CG 4.02Å; L127-Y131 WeakPolarHBondContact O-CB 3.18Å; L127-Y131 PolarHBondContact O-N 2.91Å; Y129-Y131 VanDerWaalsContact C-N 3.31Å; Y129-Y131 PolarHBondContact O-N 3.28Å; Y131-E133 PolarHBondContact O-N 3.19Å; Y131-E134 PolarHBondContact O-N 2.91Å; Y131-E134 VanDerWaalsContact O-N 3.15Å; Y131-V135 HydrophobicContact CD1-CG2 3.91Å; Y131-V135 HydrophobicContact CE1-CG2 3.5Å; Y131-V135 PolarHBondContact O-N 3.39Å
132N62.4Low67.4Low92 Ų9289.3 Ų89.349%0.49245%0.454SS..Hα-helixtrans-67.4-18.5174.7-75.8-14.6000113.3V128 Y129V128-N132 WeakPolarHBondContact O-CB 3.39Å; V128-N132 PolarHBondContact O-N 2.89Å; V128-N132 VanDerWaalsContact O-N 3.08Å; Y129-N132 PolarHBondContact O-N 3.47Å
133E70Confident67Low164 Ų16483.8 Ų83.877%0.76644%0.435SS*.Hα-helixtrans-87.3-24.7171.1-69.2179.4175.900112.5Y129 K130 Y131Y129-E133 PolarHBondContact O-N 3.05Å; Y129-E133 VanDerWaalsContact O-N 3.16Å; K130-E133 PolarHBondContact O-N 3.49Å; Y131-E133 PolarHBondContact O-N 3.19Å
134E65.7Low66.6Low102 Ų10285 Ų8548%0.47744%0.441SS..Hα-helixtrans-81.4-17.3178.6-74.2177.8-168.700113.5R100 K130 Y131R100-E134 IonicContact CZ-OE2 3.03Å; R100-E134 IonicContact NH1-OE2 3.38Å; R100-E134 PolarHBondContact NH1-OE2 3.2Å; R100-E134 IonicContact NH2-OE1 2.84Å; R100-E134 IonicContact NH2-OE2 3.66Å; R100-E134 PolarHBondContact NH2-OE2 3.49Å; K130-E134 VanDerWaalsContact CE-OE1 3.23Å; K130-E134 WeakPolarHBondContact CE-OE1 3.5Å; K130-E134 WeakPolarHBondContact O-CG 3.47Å; K130-E134 PolarHBondContact O-N 3.1Å; K130-E134 VanDerWaalsContact O-N 3.16Å; Y131-E134 PolarHBondContact O-N 2.91Å; Y131-E134 VanDerWaalsContact O-N 3.15Å
135V55.3Low66.3Low132 Ų13288.4 Ų88.480%0.846%0.455SS*.  trans-112.20-178.7-1790000111.2Y131Y131-V135 HydrophobicContact CD1-CG2 3.91Å; Y131-V135 HydrophobicContact CE1-CG2 3.5Å; Y131-V135 PolarHBondContact O-N 3.39Å

Retrieved 135 of 135 residues in 103.4 ms (Link to these results)