A0A077ZIF4_TRITR Loading...

NIDO domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIF4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.2Very low76.7Confident227 Ų227100.9 Ų100.9100%1.11859%0.587SS**  0102.60-173.7177.3-75.400107.2
2A58.9Low76.3Confident81 Ų8198.5 Ų98.567%0.66960%0.6SS**  trans-84.3114.6178.300000108.3S4A2-S4 PolarHBondContact O-N 2.87Å; A2-S4 VanDerWaalsContact O-N 3.12Å
3L64.7Low75.7Confident124 Ų12498.8 Ų98.865%0.64960%0.597SS**  trans-71.2106.8176.4-72.1165.6000108.2L5L3-L5 HydrophobicContact CB-CG 4.35Å; L3-L5 PolarHBondContact O-N 2.82Å
4S77.3Confident75.2Confident73 Ų7394.4 Ų94.451%0.5158%0.58SS.*  trans-75.3103.2169.5-175.20000108.5A2 A24A2-S4 PolarHBondContact O-N 2.87Å; A2-S4 VanDerWaalsContact O-N 3.12Å; S4-A24 VanDerWaalsContact OG-CA 3.25Å; S4-A24 WeakPolarHBondContact OG-CA 3.29Å; S4-A24 PolarHBondContact OG-O 3.21Å
5L84.7Confident75.3Confident94 Ų9493.3 Ų93.349%0.49257%0.574SS.*  trans-105.3142.4176.8-64.6173.1000109.3L3 A24 I28L3-L5 HydrophobicContact CB-CG 4.35Å; L3-L5 PolarHBondContact O-N 2.82Å; L5-A24 PolarHBondContact O-N 2.83Å; L5-I28 HydrophobicContact CB-CB 4.39Å; L5-I28 HydrophobicContact CB-CG1 4.23Å; L5-I28 HydrophobicContact CB-CG2 4.16Å; L5-I28 HydrophobicContact CD1-CG2 4.15Å
6K87.1Confident75.6Confident181 Ų18191.1 Ų91.179%0.78758%0.575SS**  trans-95.7127.7172.7-78179.2-178.3-176.50109.3S23 A24K6-S23 WeakPolarHBondContact CA-OG 3.38Å; K6-A24 HydrophobicContact CG-CB 3.88Å
7A88.8Confident76.1Confident31 Ų3194.4 Ų94.426%0.25658%0.579SS.*  trans-130.5148.216900000110.1L20 S23 I28 L31A7-L20 HydrophobicContact CB-CB 4.48Å; A7-L20 HydrophobicContact CB-CD1 3.78Å; A7-L20 PolarHBondContact O-N 3.3Å; A7-S23 PolarHBondContact N-OG 3.22Å; A7-S23 VanDerWaalsContact O-CB 3.32Å; A7-S23 WeakPolarHBondContact O-CB 3.44Å; A7-S23 PolarHBondContact O-OG 3.15Å; A7-I28 HydrophobicContact CB-CD1 3.79Å; A7-L31 HydrophobicContact CB-CD1 4.2Å
8G90.9Very high76.8Confident40 Ų4093.3 Ų93.341%0.41257%0.573SS.*EExtended strand (participates in β ladder)trans168.9176.3-171.800000110.9T18G8-T18 CarbonylContact C-O 3.51Å; G8-T18 WeakPolarHBondContact CA-O 3.23Å
9F87.7Confident77.5Confident126 Ų12692.8 Ų92.855%0.55357%0.574SS**EExtended strand (participates in β ladder)trans-122.9163.7176.2-50.7-77.7000109.5F17 T18 L20 Y45F9-F17 WeakPolarHBondContact O-CA 3.45Å; F9-T18 PolarHBondContact N-O 2.75Å; F9-T18 PolarHBondContact O-N 2.88Å; F9-L20 HydrophobicContact CD2-CD2 4.33Å; F9-L20 HydrophobicContact CE2-CD1 4.27Å; F9-L20 HydrophobicContact CE2-CD2 3.55Å; F9-L20 HydrophobicContact CE2-CG 4.03Å; F9-L20 HydrophobicContact CZ-CD1 4.38Å; F9-L20 HydrophobicContact CZ-CD2 4.3Å; F9-Y45 HydrophobicContact CE2-CD2 4.29Å; F9-Y45 HydrophobicContact CE2-CE2 4.15Å
10N82Confident78.1Confident72 Ų7289.3 Ų89.339%0.38555%0.551SS.*  trans-137171.9172.271.119.2000109.8G12 T15 G16 F17N10-G12 PolarHBondContact O-N 3.33Å; N10-G12 PolarHBondContact OD1-N 3.19Å; N10-T15 WeakPolarHBondContact CB-O 3.47Å; N10-G16 WeakPolarHBondContact CA-O 3.36Å; N10-F17 HydrophobicContact CB-CD1 3.63Å; N10-F17 HydrophobicContact CB-CE1 3.84Å; N10-F17 HydrophobicContact CB-CG 4.17Å; N10-F17 WeakPolarHBondContact ND2-CE1 3.42Å
11G73.1Confident78.7Confident61 Ų6187.1 Ų87.163%0.62954%0.538SS*.  trans-71.718-179.200000115.4N13 T15G11-N13 PolarHBondContact O-N 2.95Å; G11-T15 PolarHBondContact N-O 2.9Å
12G72.2Confident80.7Confident72 Ų7279.9 Ų79.974%0.74250%0.499SS*.SBendtrans77-18.9-17900000115.4N10N10-G12 PolarHBondContact O-N 3.33Å; N10-G12 PolarHBondContact OD1-N 3.19Å
13N68.2Low82.2Confident103 Ų10377 Ų7755%0.55147%0.474SS*.SBendtrans-95.69.2176.668.7-5.1000113.7G11 T15G11-N13 PolarHBondContact O-N 2.95Å; N13-T15 VanDerWaalsContact C-N 3.31Å; N13-T15 PolarHBondContact ND2-OG1 3.17Å; N13-T15 WeakPolarHBondContact OD1-CB 3.3Å; N13-T15 PolarHBondContact OD1-N 2.85Å; N13-T15 PolarHBondContact OD1-OG1 2.61Å
14G69.7Low83.3Confident36 Ų3673.3 Ų73.337%0.37146%0.461SS..SBendtrans75.716.2-175.500000114.4F17G14-F17 WeakPolarHBondContact O-CE2 3.24Å; G14-F17 WeakPolarHBondContact O-CZ 3.07Å
15T75.7Confident83.7Confident78 Ų7872.9 Ų72.948%0.47946%0.458SS..  trans-129172.3174.472.90000110.3N10 G11 N13N10-T15 WeakPolarHBondContact CB-O 3.47Å; G11-T15 PolarHBondContact N-O 2.9Å; N13-T15 VanDerWaalsContact C-N 3.31Å; N13-T15 PolarHBondContact ND2-OG1 3.17Å; N13-T15 WeakPolarHBondContact OD1-CB 3.3Å; N13-T15 PolarHBondContact OD1-N 2.85Å; N13-T15 PolarHBondContact OD1-OG1 2.61Å
16G80.1Confident83.8Confident58 Ų5869.1 Ų69.160%0.59844%0.442SS*.SBendtrans64.554.7178.600000112.4N10N10-G16 WeakPolarHBondContact CA-O 3.36Å
17F84Confident84Confident147 Ų14763.9 Ų63.965%0.64542%0.421SS*.  trans-77129.4-177.8-62.6-91.5000111.3F9 N10 G14F9-F17 WeakPolarHBondContact O-CA 3.45Å; N10-F17 HydrophobicContact CB-CD1 3.63Å; N10-F17 HydrophobicContact CB-CE1 3.84Å; N10-F17 HydrophobicContact CB-CG 4.17Å; N10-F17 WeakPolarHBondContact ND2-CE1 3.42Å; G14-F17 WeakPolarHBondContact O-CE2 3.24Å; G14-F17 WeakPolarHBondContact O-CZ 3.07Å
18T88.3Confident84Confident75 Ų7564 Ų6446%0.4642%0.417SS..EExtended strand (participates in β ladder)trans-117115.5172.3-55.70000108.9G8 F9 Y45G8-T18 CarbonylContact C-O 3.51Å; G8-T18 WeakPolarHBondContact CA-O 3.23Å; F9-T18 PolarHBondContact N-O 2.75Å; F9-T18 PolarHBondContact O-N 2.88Å; T18-Y45 HydrophobicContact CG2-CD1 4.36Å; T18-Y45 HydrophobicContact CG2-CE1 4.18Å
19S90.2Very high83.8Confident85 Ų8568.3 Ų68.359%0.59442%0.424SS*.EExtended strand (participates in β ladder)trans-74.3139.3177.3-63.70000111.1
20L90.6Very high84Confident22 Ų2264.5 Ų64.512%0.11541%0.408CS..PPolyproline II helixtrans-67.4154.1165.1-74.2174.4000110A7 F9 S23 L31 Y45A7-L20 HydrophobicContact CB-CB 4.48Å; A7-L20 HydrophobicContact CB-CD1 3.78Å; A7-L20 PolarHBondContact O-N 3.3Å; F9-L20 HydrophobicContact CD2-CD2 4.33Å; F9-L20 HydrophobicContact CE2-CD1 4.27Å; F9-L20 HydrophobicContact CE2-CD2 3.55Å; F9-L20 HydrophobicContact CE2-CG 4.03Å; F9-L20 HydrophobicContact CZ-CD1 4.38Å; F9-L20 HydrophobicContact CZ-CD2 4.3Å; L20-S23 WeakPolarHBondContact O-CB 3.4Å; L20-S23 PolarHBondContact O-N 2.82Å; L20-L31 HydrophobicContact CB-CD1 4.1Å; L20-L31 HydrophobicContact CB-CD2 4.03Å; L20-L31 HydrophobicContact CD1-CD1 3.84Å; L20-Y45 HydrophobicContact CD2-CE2 3.44Å; L20-Y45 VanDerWaalsContact CD2-CE2 3.44Å; L20-Y45 WeakPolarHBondContact CD2-OH 3.46Å
21P90Very high84.4Confident43 Ų4362.2 Ų62.228%0.27940%0.395SS..THydrogen-bonded Turntrans-59.2150.217122.7-30.1000110.7S23 L31 W43 Y45P21-S23 PolarHBondContact O-N 3.49Å; P21-L31 HydrophobicContact CG-CD2 4.04Å; P21-L31 WeakPolarHBondContact O-CD2 3.31Å; P21-W43 HydrophobicContact CB-CH2 4.3Å; P21-W43 HydrophobicContact CB-CZ3 4.39Å; P21-W43 HydrophobicContact CG-CD2 4.33Å; P21-W43 HydrophobicContact CG-CE3 3.73Å; P21-W43 HydrophobicContact CG-CH2 3.3Å; P21-W43 HydrophobicContact CG-CZ2 3.93Å; P21-W43 HydrophobicContact CG-CZ3 3.19Å; P21-Y45 WeakPolarHBondContact CD-OH 3.39Å
22Y91.2Very high85.3Confident75 Ų7562.7 Ų62.729%0.29439%0.393SS..THydrogen-bonded Turntrans627-175.5-38.2-69.2000115.3S25 K30 L31 F34 W43Y22-S25 WeakPolarHBondContact CA-OG 3.26Å; Y22-S25 PolarHBondContact O-OG 2.82Å; Y22-K30 HydrophobicContact CD1-CB 4.32Å; Y22-K30 HydrophobicContact CD1-CD 3.83Å; Y22-K30 HydrophobicContact CD2-CB 3.62Å; Y22-K30 HydrophobicContact CE1-CD 3.86Å; Y22-K30 HydrophobicContact CE2-CB 3.9Å; Y22-K30 HydrophobicContact CG-CB 3.84Å; Y22-K30 HydrophobicContact CG-CD 4.19Å; Y22-L31 HydrophobicContact CD2-CD2 4.33Å; Y22-F34 HydrophobicContact CE2-CB 4.24Å; Y22-F34 HydrophobicContact CE2-CD2 4.42Å; Y22-F34 HydrophobicContact CE2-CG 4.5Å; Y22-W43 HydrophobicContact CE2-CH2 4.23Å
23S89.2Confident86.2Confident21 Ų2163.8 Ų63.815%0.14739%0.385CS..THydrogen-bonded Turntrans-64.6137.5170.5-173.70000110.3K6 A7 L20 P21 S25K6-S23 WeakPolarHBondContact CA-OG 3.38Å; A7-S23 PolarHBondContact N-OG 3.22Å; A7-S23 VanDerWaalsContact O-CB 3.32Å; A7-S23 WeakPolarHBondContact O-CB 3.44Å; A7-S23 PolarHBondContact O-OG 3.15Å; L20-S23 WeakPolarHBondContact O-CB 3.4Å; L20-S23 PolarHBondContact O-N 2.82Å; P21-S23 PolarHBondContact O-N 3.49Å; S23-S25 PolarHBondContact O-N 3.2Å
24A87.4Confident87.4Confident47 Ų4763.7 Ų63.739%0.38838%0.38SS..THydrogen-bonded Turntrans58.29.2-178.200000116.6S4 L5 K6S4-A24 VanDerWaalsContact OG-CA 3.25Å; S4-A24 WeakPolarHBondContact OG-CA 3.29Å; S4-A24 PolarHBondContact OG-O 3.21Å; L5-A24 PolarHBondContact O-N 2.83Å; K6-A24 HydrophobicContact CG-CB 3.88Å
25S87.2Confident88.5Confident63 Ų6363.9 Ų63.944%0.44138%0.376SS..THydrogen-bonded Turntrans-94.8-1.8179.569.90000114Y22 S23 E27Y22-S25 WeakPolarHBondContact CA-OG 3.26Å; Y22-S25 PolarHBondContact O-OG 2.82Å; S23-S25 PolarHBondContact O-N 3.2Å; S25-E27 PolarHBondContact O-N 3.46Å; S25-E27 WeakPolarHBondContact OG-CB 3.45Å; S25-E27 PolarHBondContact OG-N 2.85Å
26G87.1Confident89.2Confident16 Ų1663 Ų6317%0.16537%0.373CS..THydrogen-bonded Turntrans762.5-170.200000113.8
27E90Very high89.7Confident71 Ų7162.3 Ų62.333%0.33236%0.357SS..  trans-111.724.8-179.3-51.7-171.5117.900112.4S25 F29 K30S25-E27 PolarHBondContact O-N 3.46Å; S25-E27 WeakPolarHBondContact OG-CB 3.45Å; S25-E27 PolarHBondContact OG-N 2.85Å; E27-F29 HydrophobicContact CB-CE1 4.3Å; E27-F29 PolarHBondContact O-N 2.81Å; E27-K30 HydrophobicContact CB-CD 3.9Å; E27-K30 HydrophobicContact CB-CG 4.16Å; E27-K30 WeakPolarHBondContact O-CB 3.37Å; E27-K30 WeakPolarHBondContact O-CG 3.44Å; E27-K30 PolarHBondContact O-N 3.07Å; E27-K30 VanDerWaalsContact OE1-CE 3.25Å; E27-K30 WeakPolarHBondContact OE1-CE 3.45Å; E27-K30 IonicContact OE1-NZ 3.48Å; E27-K30 PolarHBondContact OE1-NZ 2.89Å; E27-K30 IonicContact OE2-NZ 2.63Å; E27-K30 PolarHBondContact OE2-NZ 3.2Å
28I89.2Confident90.1Very high33 Ų3363.5 Ų63.517%0.16937%0.37CS..THydrogen-bonded Turntrans-56-28.5-174.1-163.770.6000113.3L5 A7 K30 L31L5-I28 HydrophobicContact CB-CB 4.39Å; L5-I28 HydrophobicContact CB-CG1 4.23Å; L5-I28 HydrophobicContact CB-CG2 4.16Å; L5-I28 HydrophobicContact CD1-CG2 4.15Å; A7-I28 HydrophobicContact CB-CD1 3.79Å; I28-K30 PolarHBondContact O-N 2.78Å; I28-L31 HydrophobicContact CD1-CD1 3.42Å; I28-L31 VanDerWaalsContact CD1-CD1 3.42Å; I28-L31 HydrophobicContact CD1-CG 4.33Å; I28-L31 HydrophobicContact CG1-CD1 4Å; I28-L31 VanDerWaalsContact O-CB 3.26Å; I28-L31 WeakPolarHBondContact O-CB 3.32Å; I28-L31 WeakPolarHBondContact O-CG 3.46Å; I28-L31 PolarHBondContact O-N 2.84Å
29F87.6Confident90.3Very high131 Ų13164.2 Ų64.258%0.57537%0.371SS*.THydrogen-bonded Turntrans-60.3-24.9175.663.4-92.4000112.9E27 L31 A32E27-F29 HydrophobicContact CB-CE1 4.3Å; E27-F29 PolarHBondContact O-N 2.81Å; F29-L31 PolarHBondContact O-N 2.79Å; F29-A32 PolarHBondContact O-N 3.3Å; F29-A32 VanDerWaalsContact O-N 3.1Å
30K91.8Very high90.5Very high46 Ų4664.9 Ų64.920%0.237%0.373CS..Hα-helixtrans-61.2-21.3174.3-71.7-172.3-177.11720112.6Y22 E27 I28 A32 T33 F34Y22-K30 HydrophobicContact CD1-CB 4.32Å; Y22-K30 HydrophobicContact CD1-CD 3.83Å; Y22-K30 HydrophobicContact CD2-CB 3.62Å; Y22-K30 HydrophobicContact CE1-CD 3.86Å; Y22-K30 HydrophobicContact CE2-CB 3.9Å; Y22-K30 HydrophobicContact CG-CB 3.84Å; Y22-K30 HydrophobicContact CG-CD 4.19Å; E27-K30 HydrophobicContact CB-CD 3.9Å; E27-K30 HydrophobicContact CB-CG 4.16Å; E27-K30 WeakPolarHBondContact O-CB 3.37Å; E27-K30 WeakPolarHBondContact O-CG 3.44Å; E27-K30 PolarHBondContact O-N 3.07Å; E27-K30 VanDerWaalsContact OE1-CE 3.25Å; E27-K30 WeakPolarHBondContact OE1-CE 3.45Å; E27-K30 IonicContact OE1-NZ 3.48Å; E27-K30 PolarHBondContact OE1-NZ 2.89Å; E27-K30 IonicContact OE2-NZ 2.63Å; E27-K30 PolarHBondContact OE2-NZ 3.2Å; I28-K30 PolarHBondContact O-N 2.78Å; K30-A32 PolarHBondContact O-N 3.07Å; K30-T33 PolarHBondContact O-N 3.13Å; K30-T33 VanDerWaalsContact O-N 3.17Å; K30-F34 HydrophobicContact CB-CD2 3.74Å; K30-F34 HydrophobicContact CB-CE2 4.16Å; K30-F34 HydrophobicContact CD-CD2 4.31Å; K30-F34 HydrophobicContact CD-CE2 3.99Å; K30-F34 HydrophobicContact CG-CD2 4.09Å; K30-F34 HydrophobicContact CG-CE2 3.97Å; K30-F34 WeakPolarHBondContact O-CB 3.3Å; K30-F34 WeakPolarHBondContact O-CD2 3.29Å; K30-F34 PolarHBondContact O-N 3.2Å
31L90Very high90.5Very high24 Ų2465.6 Ų65.613%0.12639%0.386CS..Hα-helixtrans-61-24.7174.1-72.5176.9000113.8A7 L20 P21 Y22 I28 F29 G41 W43A7-L31 HydrophobicContact CB-CD1 4.2Å; L20-L31 HydrophobicContact CB-CD1 4.1Å; L20-L31 HydrophobicContact CB-CD2 4.03Å; L20-L31 HydrophobicContact CD1-CD1 3.84Å; P21-L31 HydrophobicContact CG-CD2 4.04Å; P21-L31 WeakPolarHBondContact O-CD2 3.31Å; Y22-L31 HydrophobicContact CD2-CD2 4.33Å; I28-L31 HydrophobicContact CD1-CD1 3.42Å; I28-L31 VanDerWaalsContact CD1-CD1 3.42Å; I28-L31 HydrophobicContact CD1-CG 4.33Å; I28-L31 HydrophobicContact CG1-CD1 4Å; I28-L31 VanDerWaalsContact O-CB 3.26Å; I28-L31 WeakPolarHBondContact O-CB 3.32Å; I28-L31 WeakPolarHBondContact O-CG 3.46Å; I28-L31 PolarHBondContact O-N 2.84Å; F29-L31 PolarHBondContact O-N 2.79Å; L31-G41 WeakPolarHBondContact O-CA 3.18Å; L31-W43 HydrophobicContact CD2-CD2 4.44Å; L31-W43 HydrophobicContact CD2-CH2 4.43Å; L31-W43 HydrophobicContact CD2-CZ2 3.61Å; L31-W43 PolarHBondContact O-NE1 2.87Å
32A91Very high90.7Very high71 Ų7170.7 Ų70.759%0.58740%0.399SS*.Hα-helixtrans-87.6-27176.900000112.7F29 K30 G41F29-A32 PolarHBondContact O-N 3.3Å; F29-A32 VanDerWaalsContact O-N 3.1Å; K30-A32 PolarHBondContact O-N 3.07Å; A32-G41 PolarHBondContact O-N 2.01Å
33T91.5Very high90.7Very high94 Ų9470 Ų7058%0.57740%0.396SS*.Hα-helixtrans-89.1-40-177.8-470000112.3K30K30-T33 PolarHBondContact O-N 3.13Å; K30-T33 VanDerWaalsContact O-N 3.17Å
34F93Very high90.7Very high101 Ų10174.7 Ų74.744%0.44342%0.418SS..  trans-99.1166.1179-64.2-86.3000110.6Y22 K30 G41 W43Y22-F34 HydrophobicContact CE2-CB 4.24Å; Y22-F34 HydrophobicContact CE2-CD2 4.42Å; Y22-F34 HydrophobicContact CE2-CG 4.5Å; K30-F34 HydrophobicContact CB-CD2 3.74Å; K30-F34 HydrophobicContact CB-CE2 4.16Å; K30-F34 HydrophobicContact CD-CD2 4.31Å; K30-F34 HydrophobicContact CD-CE2 3.99Å; K30-F34 HydrophobicContact CG-CD2 4.09Å; K30-F34 HydrophobicContact CG-CE2 3.97Å; K30-F34 WeakPolarHBondContact O-CB 3.3Å; K30-F34 WeakPolarHBondContact O-CD2 3.29Å; K30-F34 PolarHBondContact O-N 3.2Å; F34-G41 PolarHBondContact O-N 2.91Å; F34-W43 HydrophobicContact CB-CH2 4.32Å; F34-W43 HydrophobicContact CB-CZ2 4.3Å; F34-W43 WeakPolarHBondContact O-CZ2 3.43Å
35S93.4Very high90.7Very high40 Ų4076.6 Ų76.628%0.2842%0.416SS..  trans-157.2159.4-177.447.70000110V37 L39 R42S35-V37 VanDerWaalsContact C-N 3.33Å; S35-V37 WeakPolarHBondContact CB-O 3.32Å; S35-V37 PolarHBondContact OG-O 3.42Å; S35-L39 WeakPolarHBondContact CB-O 3.16Å; S35-L39 PolarHBondContact OG-O 3.19Å; S35-R42 WeakPolarHBondContact CA-O 3Å; S35-R42 WeakPolarHBondContact CB-O 3.03Å
36S90.2Very high90.7Very high61 Ų6183.5 Ų83.543%0.42743%0.433SS..SBendtrans-92.42.8168.158.90000113.2R42 W43 I44S36-R42 PolarHBondContact N-O 3.14Å; S36-W43 WeakPolarHBondContact OG-CA 3.47Å; S36-I44 PolarHBondContact OG-N 3.42Å
37V91.4Very high90.4Very high42 Ų4286.5 Ų86.526%0.25545%0.448SS..SBendtrans-133.4168.2176.8-62.70000109.4S35 L39 R42 I44S35-V37 VanDerWaalsContact C-N 3.33Å; S35-V37 WeakPolarHBondContact CB-O 3.32Å; S35-V37 PolarHBondContact OG-O 3.42Å; V37-L39 HydrophobicContact CG2-CB 4.24Å; V37-L39 PolarHBondContact O-N 2.79Å; V37-R42 HydrophobicContact CG2-CB 3.54Å; V37-R42 HydrophobicContact CG2-CG 3.62Å; V37-R42 WeakPolarHBondContact CG2-O 3.35Å; V37-I44 HydrophobicContact CG1-CB 4.07Å; V37-I44 HydrophobicContact CG1-CG2 3.72Å
38D91Very high90.1Very high173 Ų17388.5 Ų88.593%0.92546%0.461SS*.SBendtrans-69.417.7-177.4-60.9-35.1000115.1
39L93.7Very high89.5Confident89 Ų8993.7 Ų93.747%0.46648%0.484SS..SBendtrans-125.7113.8179.1-77.3145.7000109.2S35 V37 G41 R42S35-L39 WeakPolarHBondContact CB-O 3.16Å; S35-L39 PolarHBondContact OG-O 3.19Å; V37-L39 HydrophobicContact CG2-CB 4.24Å; V37-L39 PolarHBondContact O-N 2.79Å; L39-G41 PolarHBondContact O-N 2.76Å; L39-R42 HydrophobicContact CB-CB 4.17Å; L39-R42 WeakPolarHBondContact O-CB 3.49Å; L39-R42 PolarHBondContact O-N 2.94Å; L39-R42 VanDerWaalsContact O-N 3.16Å
40P93.1Very high88.8Confident100 Ų10096 Ų9665%0.64950%0.497SS*.THydrogen-bonded Turntrans-52.6137.7179.5-27.634.7000112.6R42P40-R42 PolarHBondContact O-N 3.38Å
41G91.4Very high87.9Confident37 Ų37100.2 Ų100.238%0.38152%0.52SS..THydrogen-bonded Turntrans79.9-7.2179.400000115.6L31 A32 F34 L39L31-G41 WeakPolarHBondContact O-CA 3.18Å; A32-G41 PolarHBondContact O-N 2.01Å; F34-G41 PolarHBondContact O-N 2.91Å; L39-G41 PolarHBondContact O-N 2.76Å
42R93.5Very high87Confident149 Ų149104.6 Ų104.656%0.56254%0.543SS*.  trans-95.9135.2178.3-172.3175.2-67.6-175.51.2110.6S35 S36 V37 L39 P40S35-R42 WeakPolarHBondContact CA-O 3Å; S35-R42 WeakPolarHBondContact CB-O 3.03Å; S36-R42 PolarHBondContact N-O 3.14Å; V37-R42 HydrophobicContact CG2-CB 3.54Å; V37-R42 HydrophobicContact CG2-CG 3.62Å; V37-R42 WeakPolarHBondContact CG2-O 3.35Å; L39-R42 HydrophobicContact CB-CB 4.17Å; L39-R42 WeakPolarHBondContact O-CB 3.49Å; L39-R42 PolarHBondContact O-N 2.94Å; L39-R42 VanDerWaalsContact O-N 3.16Å; P40-R42 PolarHBondContact O-N 3.38Å
43W91.1Very high85.8Confident61 Ų61104 Ų10423%0.23154%0.537CS..  trans-128.4129.2-179.4-61.687.4000109.6P21 Y22 L31 F34 S36 Y45P21-W43 HydrophobicContact CB-CH2 4.3Å; P21-W43 HydrophobicContact CB-CZ3 4.39Å; P21-W43 HydrophobicContact CG-CD2 4.33Å; P21-W43 HydrophobicContact CG-CE3 3.73Å; P21-W43 HydrophobicContact CG-CH2 3.3Å; P21-W43 HydrophobicContact CG-CZ2 3.93Å; P21-W43 HydrophobicContact CG-CZ3 3.19Å; Y22-W43 HydrophobicContact CE2-CH2 4.23Å; L31-W43 HydrophobicContact CD2-CD2 4.44Å; L31-W43 HydrophobicContact CD2-CH2 4.43Å; L31-W43 HydrophobicContact CD2-CZ2 3.61Å; L31-W43 PolarHBondContact O-NE1 2.87Å; F34-W43 HydrophobicContact CB-CH2 4.32Å; F34-W43 HydrophobicContact CB-CZ2 4.3Å; F34-W43 WeakPolarHBondContact O-CZ2 3.43Å; S36-W43 WeakPolarHBondContact OG-CA 3.47Å; W43-Y45 HydrophobicContact CB-CD2 4.39Å; W43-Y45 HydrophobicContact CB-CE2 3.8Å
44I90.5Very high84.6Confident119 Ų119102.9 Ų102.961%0.6154%0.544SS*.  trans-105.4137.2172.1-164.1167.2000109.9S36 V37S36-I44 PolarHBondContact OG-N 3.42Å; V37-I44 HydrophobicContact CG1-CB 4.07Å; V37-I44 HydrophobicContact CG1-CG2 3.72Å
45Y87.3Confident83.4Confident87 Ų87100.1 Ų100.134%0.34154%0.544SS..  trans-129.2140.3175.8-75.2-88.8000109.3F9 T18 L20 P21 W43F9-Y45 HydrophobicContact CE2-CD2 4.29Å; F9-Y45 HydrophobicContact CE2-CE2 4.15Å; T18-Y45 HydrophobicContact CG2-CD1 4.36Å; T18-Y45 HydrophobicContact CG2-CE1 4.18Å; L20-Y45 HydrophobicContact CD2-CE2 3.44Å; L20-Y45 VanDerWaalsContact CD2-CE2 3.44Å; L20-Y45 WeakPolarHBondContact CD2-OH 3.46Å; P21-Y45 WeakPolarHBondContact CD-OH 3.39Å; W43-Y45 HydrophobicContact CB-CD2 4.39Å; W43-Y45 HydrophobicContact CB-CE2 3.8Å
46R86Confident82.7Confident209 Ų209105.2 Ų105.279%0.78956%0.562SS**  trans-79.5131.4170.1-179.4176.2173.4-171.5-8.7108.4D48R46-D48 IonicContact CZ-OD1 2.83Å; R46-D48 IonicContact CZ-OD2 2.82Å; R46-D48 IonicContact NE-OD1 2.83Å; R46-D48 PolarHBondContact NE-OD1 3.35Å; R46-D48 IonicContact NE-OD2 2.69Å; R46-D48 IonicContact NH2-OD1 2.75Å; R46-D48 PolarHBondContact NH2-OD1 3.21Å; R46-D48 IonicContact NH2-OD2 3.88Å
47V82.8Confident82.5Confident79 Ų79102.9 Ų102.948%0.47955%0.545SS..  trans-116.5118.4169.8-176.50000105.5E49 I51V47-E49 VanDerWaalsContact C-N 3.34Å; V47-E49 HydrophobicContact CG1-CB 4.36Å; V47-E49 WeakPolarHBondContact CG1-OE2 3.25Å; V47-I51 HydrophobicContact CG1-CG1 4.15Å
48D82.7Confident82.3Confident113 Ų113102.2 Ų102.260%0.60454%0.541SS*.  trans-87.2-12.9180-77-42.6000111.8R46R46-D48 IonicContact CZ-OD1 2.83Å; R46-D48 IonicContact CZ-OD2 2.82Å; R46-D48 IonicContact NE-OD1 2.83Å; R46-D48 PolarHBondContact NE-OD1 3.35Å; R46-D48 IonicContact NE-OD2 2.69Å; R46-D48 IonicContact NH2-OD1 2.75Å; R46-D48 PolarHBondContact NH2-OD1 3.21Å; R46-D48 IonicContact NH2-OD2 3.88Å
49E76.1Confident82.3Confident141 Ų14194.9 Ų94.966%0.65950%0.501SS*.SBendtrans-92.7160.1178.3-52.685.217500113V47 I51V47-E49 VanDerWaalsContact C-N 3.34Å; V47-E49 HydrophobicContact CG1-CB 4.36Å; V47-E49 WeakPolarHBondContact CG1-OE2 3.25Å; E49-I51 PolarHBondContact O-N 3.4Å
50Q74.3Confident82Confident179 Ų17993 Ų9384%0.83650%0.499SS*.  trans-67.4121.4172.9-175.1175.811.400110.5I52Q50-I52 PolarHBondContact O-N 2.87Å
51I72.9Confident81.8Confident136 Ų13691.3 Ų91.370%0.69749%0.487SS*.  trans-76.2114.2171.8-57.1175.1000108.5V47 E49V47-I51 HydrophobicContact CG1-CG1 4.15Å; E49-I51 PolarHBondContact O-N 3.4Å
52I70Confident81.5Confident116 Ų11694.1 Ų94.160%0.59549%0.494SS*.PPolyproline II helixtrans-89.5117.7175.5-54.1175.3000108.1Q50 G54 T58Q50-I52 PolarHBondContact O-N 2.87Å; I52-G54 PolarHBondContact O-N 2.81Å; I52-T58 HydrophobicContact CG2-CG2 3.3Å
53A66.9Low81.2Confident58 Ų5892.8 Ų92.848%0.47949%0.492SS..PPolyproline II helixtrans-62.8134.1177.700000110.9F56A53-F56 HydrophobicContact CB-CD2 4.33Å
54G64.7Low81Confident70 Ų7090.5 Ų90.572%0.72249%0.487SS*.THydrogen-bonded Turntrans-65159171.400000112.1I52I52-G54 PolarHBondContact O-N 2.81Å
55G69.3Low80.8Confident43 Ų4386.6 Ų86.644%0.44347%0.47SS..THydrogen-bonded Turntrans95.1-27.8-18000000114.6
56F77.9Confident80.8Confident147 Ų14784 Ų8465%0.64546%0.462SS*.SBendtrans-85.4147170.5-61.8-79.5000111.2A53 T58 G76A53-F56 HydrophobicContact CB-CD2 4.33Å; F56-T58 WeakPolarHBondContact O-CG2 3.47Å; F56-T58 PolarHBondContact O-N 2.84Å; F56-G76 WeakPolarHBondContact O-CA 3.38Å
57L86.5Confident80.9Confident13 Ų1378 Ų787%0.06845%0.445CS..  trans-66.9119.6175.7-177.962.5000109.7V74 V119 I121L57-V74 HydrophobicContact CD1-CG1 3.36Å; L57-V74 HydrophobicContact CG-CG1 4.47Å; L57-V119 HydrophobicContact CD2-CG1 4.29Å; L57-I121 HydrophobicContact CD1-CB 4.01Å; L57-I121 HydrophobicContact CD1-CD1 4.22Å; L57-I121 HydrophobicContact CD1-CG2 3.7Å; L57-I121 HydrophobicContact CD2-CB 4.14Å; L57-I121 HydrophobicContact CD2-CG2 3.96Å; L57-I121 HydrophobicContact CG-CG2 4.37Å
58T87.5Confident81.2Confident28 Ų2874.8 Ų74.817%0.17243%0.428CS..EExtended strand (participates in β ladder)trans-126.4138.2-176.450.80000109.2I52 F56 V74 S75I52-T58 HydrophobicContact CG2-CG2 3.3Å; F56-T58 WeakPolarHBondContact O-CG2 3.47Å; F56-T58 PolarHBondContact O-N 2.84Å; T58-V74 WeakPolarHBondContact O-CA 3.26Å; T58-S75 PolarHBondContact N-O 2.78Å; T58-S75 PolarHBondContact O-N 3.25Å; T58-S75 PolarHBondContact O-OG 2.83Å; T58-S75 PolarHBondContact OG1-O 2.84Å; T58-S75 PolarHBondContact OG1-OG 2.88Å
59I89.4Confident81.4Confident19 Ų1972.7 Ų72.710%0.09743%0.432CS..EExtended strand (participates in β ladder)trans-127130.4-176.5-53.8177.5000108P61 D62 V72 N73 V74 F89 V119 F135I59-P61 CarbonylContact C-O 3.59Å; I59-P61 CarbonylContact O-C 3.38Å; I59-D62 PolarHBondContact O-N 3.04Å; I59-V72 HydrophobicContact CG2-CB 4Å; I59-V72 HydrophobicContact CG2-CG2 4.38Å; I59-N73 CarbonylContact C-O 3.55Å; I59-N73 VanDerWaalsContact CA-O 3.3Å; I59-N73 WeakPolarHBondContact CA-O 3.29Å; I59-V74 HydrophobicContact CG1-CG1 4.35Å; I59-V74 HydrophobicContact CG1-CG2 4.22Å; I59-V74 HydrophobicContact CG2-CG2 4.33Å; I59-F89 HydrophobicContact CD1-CE1 4.03Å; I59-F89 HydrophobicContact CD1-CZ 4.36Å; I59-V119 HydrophobicContact CD1-CB 3.66Å; I59-V119 HydrophobicContact CD1-CG1 3.42Å; I59-V119 VanDerWaalsContact CD1-CG1 3.42Å; I59-V119 HydrophobicContact CD1-CG2 3.71Å; I59-F135 HydrophobicContact CB-CD2 4.25Å; I59-F135 HydrophobicContact CD1-CB 4.42Å; I59-F135 HydrophobicContact CG2-CD2 3.73Å; I59-F135 HydrophobicContact CG2-CE2 3.96Å
60A87.7Confident82Confident50 Ų5068.5 Ų68.541%0.41341%0.414SS..EExtended strand (participates in β ladder)trans-126.7124.4-179.400000110.1N73A60-N73 PolarHBondContact N-O 2.8Å; A60-N73 PolarHBondContact O-N 2.76Å
61P88.6Confident82.9Confident63 Ų6363.2 Ų63.241%0.40939%0.394SS..SBendcis-60.9162.8-8.129.1-37000112.2I59 K63 F135I59-P61 CarbonylContact C-O 3.59Å; I59-P61 CarbonylContact O-C 3.38Å; P61-K63 WeakPolarHBondContact CG-O 3.47Å; P61-K63 PolarHBondContact O-N 2.91Å; P61-F135 VanDerWaalsContact O-CE2 3.23Å; P61-F135 WeakPolarHBondContact O-CE2 3.35Å
62D86.3Confident83.8Confident97 Ų9756.7 Ų56.752%0.51936%0.361SS..SBendtrans-79.7-7.3176.165.2-42.9000112.7I59 F135 Y136I59-D62 PolarHBondContact O-N 3.04Å; D62-F135 WeakPolarHBondContact O-CD2 3.01Å; D62-Y136 PolarHBondContact O-N 3.48Å; D62-Y136 VanDerWaalsContact O-N 3.08Å
63K86.6Confident84.8Confident121 Ų12154.4 Ų54.453%0.52635%0.35SS..EExtended strand (participates in β ladder)trans-137.5148.1-177.3-42.6-173.5-174.2178.70111P61 F135 Y136P61-K63 WeakPolarHBondContact CG-O 3.47Å; P61-K63 PolarHBondContact O-N 2.91Å; K63-F135 VanDerWaalsContact C-CZ 3.46Å; K63-Y136 CarbonylContact C-O 3.58Å; K63-Y136 VanDerWaalsContact CA-O 3.27Å; K63-Y136 WeakPolarHBondContact CA-O 3.46Å; K63-Y136 HydrophobicContact CB-CD1 4.34Å; K63-Y136 HydrophobicContact CD-CD1 4.36Å; K63-Y136 HydrophobicContact CG-CD1 4.45Å
64G88.1Confident86Confident12 Ų1251.7 Ų51.712%0.12433%0.327CS..EExtended strand (participates in β ladder)trans-150.4167.117900000113.5I70 F135 Y136 F137 G138G64-I70 VanDerWaalsContact CA-CD1 3.46Å; G64-F135 VanDerWaalsContact N-CZ 3.3Å; G64-Y136 PolarHBondContact N-O 3.2Å; G64-F137 CarbonylContact O-C 3.53Å; G64-F137 WeakPolarHBondContact O-CA 3.46Å; G64-G138 PolarHBondContact O-N 3.21Å
65S86.2Confident87.1Confident37 Ų3750.3 Ų50.326%0.25931%0.307SS..EExtended strand (participates in β ladder)trans-79.9139.9175.3178.50000111.1L67 G68S65-L67 PolarHBondContact O-N 2.75Å; S65-L67 VanDerWaalsContact O-N 3.13Å; S65-L67 PolarHBondContact OG-N 2.88Å; S65-G68 PolarHBondContact O-N 3.08Å; S65-G68 VanDerWaalsContact O-N 3.07Å
66M87.4Confident87.7Confident33 Ų3349.3 Ų49.316%0.16330%0.296CS..THydrogen-bonded Turntrans-57.8-21.2170.166.8168-88.400113.5G68 R110 F111 V114 G138 L139M66-G68 PolarHBondContact O-N 2.8Å; M66-R110 WeakPolarHBondContact O-CA 3.08Å; M66-F111 WeakPolarHBondContact CB-O 3.07Å; M66-F111 PolarHBondContact O-N 3.04Å; M66-F111 VanDerWaalsContact O-O 3.07Å; M66-V114 HydrophobicContact CB-CG2 4.39Å; M66-V114 HydrophobicContact SD-CG2 3.76Å; M66-G138 PolarHBondContact N-O 2.83Å; M66-G138 VanDerWaalsContact N-O 3.07Å; M66-L139 HydrophobicContact SD-CD2 3.71Å
67L87.8Confident87.9Confident84 Ų8442.5 Ų42.544%0.4427%0.267SS..THydrogen-bonded Turntrans-72.2-13.1177.7-64.1177.8000113.1S65S65-L67 PolarHBondContact O-N 2.75Å; S65-L67 VanDerWaalsContact O-N 3.13Å; S65-L67 PolarHBondContact OG-N 2.88Å
68G88.5Confident87.9Confident11 Ų1146.1 Ų46.111%0.11329%0.292CS..  trans67.3-154.8-173.400000112.1S65 M66 I70 L108 P109S65-G68 PolarHBondContact O-N 3.08Å; S65-G68 VanDerWaalsContact O-N 3.07Å; M66-G68 PolarHBondContact O-N 2.8Å; G68-I70 PolarHBondContact O-N 2.87Å; G68-L108 CarbonylContact C-O 3.52Å; G68-L108 WeakPolarHBondContact CA-O 3.41Å; G68-P109 WeakPolarHBondContact CA-O 3.49Å
69G87.8Confident87.8Confident68 Ų6844.9 Ų44.970%0.70128%0.284SS*.  trans77.25.4-17900000114.3L108G69-L108 PolarHBondContact N-O 2.66Å
70I88.7Confident87.7Confident53 Ų5347.3 Ų47.327%0.27230%0.301SS..  trans-102.5148.5175.769.3166.4000110.9G64 G68 V72 L108G64-I70 VanDerWaalsContact CA-CD1 3.46Å; G68-I70 PolarHBondContact O-N 2.87Å; I70-V72 HydrophobicContact CD1-CG1 4.1Å; I70-V72 HydrophobicContact CG1-CG1 4.28Å; I70-L108 HydrophobicContact CD1-CD1 4.05Å; I70-L108 HydrophobicContact CG1-CB 4.25Å; I70-L108 HydrophobicContact CG1-CD1 3.93Å; I70-L108 HydrophobicContact CG1-CG 4.35Å; I70-L108 PolarHBondContact O-N 2.83Å
71T91.9Very high87.5Confident68 Ų6849.3 Ų49.342%0.41731%0.312SS..EExtended strand (participates in β ladder)trans-91.4124.7174.4-56.60000109.5Q105 C106T71-Q105 HydrophobicContact CG2-CG 3.26Å; T71-Q105 VanDerWaalsContact CG2-NE2 3.33Å; T71-C106 CarbonylContact C-O 3.4Å; T71-C106 WeakPolarHBondContact CA-O 3.37Å
72V92.4Very high87.2Confident0 Ų052.1 Ų52.10%033%0.333CS..EExtended strand (participates in β ladder)trans-113.8136.1175.3-62.20000110.5I59 I70 V74 F89 C106 L108 F135I59-V72 HydrophobicContact CG2-CB 4Å; I59-V72 HydrophobicContact CG2-CG2 4.38Å; I70-V72 HydrophobicContact CD1-CG1 4.1Å; I70-V72 HydrophobicContact CG1-CG1 4.28Å; V72-V74 HydrophobicContact CG2-CG2 4.49Å; V72-F89 HydrophobicContact CG2-CZ 4.3Å; V72-C106 HydrophobicContact CG2-CB 3.76Å; V72-C106 PolarHBondContact N-O 2.65Å; V72-C106 PolarHBondContact O-N 2.96Å; V72-L108 HydrophobicContact CG1-CD1 3.58Å; V72-L108 HydrophobicContact CG1-CG 3.85Å; V72-L108 HydrophobicContact CG2-CD1 4.36Å; V72-L108 HydrophobicContact CG2-CD2 3.92Å; V72-L108 HydrophobicContact CG2-CG 3.87Å; V72-F135 HydrophobicContact CG1-CE2 4.06Å; V72-F135 HydrophobicContact CG1-CZ 4.15Å
73N90.7Very high87.1Confident67 Ų6748.4 Ų48.436%0.35832%0.315SS..EExtended strand (participates in β ladder)trans-93.7129.4173.5-68.7-23.4000108.7I59 A60 Q105I59-N73 CarbonylContact C-O 3.55Å; I59-N73 VanDerWaalsContact CA-O 3.3Å; I59-N73 WeakPolarHBondContact CA-O 3.29Å; A60-N73 PolarHBondContact N-O 2.8Å; A60-N73 PolarHBondContact O-N 2.76Å; N73-Q105 PolarHBondContact OD1-NE2 3.06Å
74V91.2Very high87.3Confident1 Ų146.4 Ų46.41%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-115.1119.9179.5-175.80000108L57 T58 I59 V72 V87 R103 A104 I121L57-V74 HydrophobicContact CD1-CG1 3.36Å; L57-V74 HydrophobicContact CG-CG1 4.47Å; T58-V74 WeakPolarHBondContact O-CA 3.26Å; I59-V74 HydrophobicContact CG1-CG1 4.35Å; I59-V74 HydrophobicContact CG1-CG2 4.22Å; I59-V74 HydrophobicContact CG2-CG2 4.33Å; V72-V74 HydrophobicContact CG2-CG2 4.49Å; V74-V87 HydrophobicContact CG1-CG2 4.27Å; V74-V87 HydrophobicContact CG2-CG2 4.24Å; V74-R103 WeakPolarHBondContact O-CA 3.5Å; V74-A104 PolarHBondContact N-O 2.95Å; V74-A104 PolarHBondContact O-N 3.06Å; V74-I121 HydrophobicContact CG1-CD1 3.91Å
75S88.2Confident87.6Confident42 Ų4245.9 Ų45.929%0.29431%0.307SS..EExtended strand (participates in β ladder)trans-131.7170.8-175.948.50000111.2T58 H102T58-S75 PolarHBondContact N-O 2.78Å; T58-S75 PolarHBondContact O-N 3.25Å; T58-S75 PolarHBondContact O-OG 2.83Å; T58-S75 PolarHBondContact OG1-O 2.84Å; T58-S75 PolarHBondContact OG1-OG 2.88Å; S75-H102 VanDerWaalsContact CA-O 3.32Å; S75-H102 WeakPolarHBondContact CA-O 3.39Å; S75-H102 WeakPolarHBondContact CB-O 3.42Å
76G81.6Confident88Confident21 Ų2145.8 Ų45.822%0.21630%0.303CS..SBendtrans128.2-76.4176.100000112.9F56F56-G76 WeakPolarHBondContact O-CA 3.38Å
77P82.6Confident88.3Confident5 Ų544.2 Ų44.23%0.03230%0.295CS..SBendtrans-73.4148.6-178.730.2-34.3000111.8L79 I121 Y131P77-L79 HydrophobicContact CG-CD2 4.34Å; P77-L79 PolarHBondContact O-N 3.34Å; P77-I121 HydrophobicContact CG-CD1 4.27Å; P77-I121 HydrophobicContact CG-CG2 4.11Å; P77-Y131 HydrophobicContact CB-CD1 4.17Å; P77-Y131 HydrophobicContact CB-CD2 3.56Å; P77-Y131 HydrophobicContact CB-CE1 3.98Å; P77-Y131 HydrophobicContact CB-CE2 3.35Å; P77-Y131 HydrophobicContact CB-CG 3.98Å; P77-Y131 HydrophobicContact CG-CD2 3.87Å; P77-Y131 HydrophobicContact CG-CE2 4.14Å; P77-Y131 HydrophobicContact CG-CG 4.25Å
78C86.4Confident88.7Confident88 Ų8841.8 Ų41.860%0.59528%0.282SS*.  trans-73.2111.3169.8-162.90000108.7V101C78-V101 CarbonylContact C-O 3.6Å; C78-V101 WeakPolarHBondContact CA-O 3.19Å
79L86.6Confident88.9Confident3 Ų341.3 Ų41.32%0.01628%0.277CS..PPolyproline II helixtrans-89.5125.5179.4-61.2173000108.9P77 V85 Q98 V101 A104 I121 H123P77-L79 HydrophobicContact CG-CD2 4.34Å; P77-L79 PolarHBondContact O-N 3.34Å; L79-V85 HydrophobicContact CD1-CG2 4Å; L79-V85 HydrophobicContact CD2-CG2 4.42Å; L79-Q98 VanDerWaalsContact CB-NE2 3.31Å; L79-Q98 HydrophobicContact CD1-CG 4.44Å; L79-Q98 PolarHBondContact O-NE2 2.74Å; L79-V101 PolarHBondContact N-O 3.31Å; L79-V101 WeakPolarHBondContact O-CA 3.27Å; L79-A104 HydrophobicContact CD1-CB 4.05Å; L79-I121 HydrophobicContact CD2-CD1 4.06Å; L79-H123 HydrophobicContact CD2-CB 3.95Å
80P86.6Confident89.1Confident69 Ų6941.2 Ų41.245%0.44826%0.26SS..PPolyproline II helixtrans-55.1142.8171.2-23.633.4000110.7S82 S83 Q98P80-S82 PolarHBondContact O-N 2.96Å; P80-S83 WeakPolarHBondContact O-CB 3.23Å; P80-S83 PolarHBondContact O-N 3.16Å; P80-S83 PolarHBondContact O-OG 3.4Å; P80-Q98 PolarHBondContact O-NE2 3.21Å; P80-Q98 PolarHBondContact O-OE1 3.17Å
81S83.3Confident89.2Confident92 Ų9245 Ų4564%0.64328%0.277SS*.THydrogen-bonded Turntrans-56134.3174.4-590000109.9
82S82Confident89.2Confident122 Ų12243.4 Ų43.485%0.85327%0.266SS*.THydrogen-bonded Turntrans67.627.7179.368.80000116.3P80P80-S82 PolarHBondContact O-N 2.96Å
83S84.3Confident89.3Confident20 Ų2047.7 Ų47.714%0.1429%0.288CS..  trans-77.6144.4173.944.10000112.4P80 V85 Q98 H123P80-S83 WeakPolarHBondContact O-CB 3.23Å; P80-S83 PolarHBondContact O-N 3.16Å; P80-S83 PolarHBondContact O-OG 3.4Å; S83-V85 PolarHBondContact O-N 3.26Å; S83-Q98 PolarHBondContact OG-OE1 2.79Å; S83-H123 WeakPolarHBondContact CB-O 3.32Å
84T91.6Very high89.4Confident78 Ų7845 Ų4548%0.47927%0.274SS..BIsolated β-bridgetrans-83.390.7170.547.40000109.7H86 G125T84-H86 PolarHBondContact O-N 3.42Å; T84-H86 PolarHBondContact O-ND1 3.48Å; T84-G125 PolarHBondContact O-N 3.04Å; T84-G125 VanDerWaalsContact OG1-CA 3.26Å; T84-G125 WeakPolarHBondContact OG1-CA 3.4Å; T84-G125 PolarHBondContact OG1-N 3.2Å; T84-G125 VanDerWaalsContact OG1-N 3.15Å
85V93.9Very high89.6Confident1 Ų150.7 Ų50.71%0.00630%0.304CS..  trans-77.3120.5-175-1740000110.8L79 S83 V87 C96 Q98 A104 I121 S122L79-V85 HydrophobicContact CD1-CG2 4Å; L79-V85 HydrophobicContact CD2-CG2 4.42Å; S83-V85 PolarHBondContact O-N 3.26Å; V85-V87 HydrophobicContact CG1-CG2 4.37Å; V85-C96 HydrophobicContact CB-CB 4.26Å; V85-C96 HydrophobicContact CG1-CB 4.1Å; V85-C96 PolarHBondContact O-N 2.84Å; V85-Q98 HydrophobicContact CG2-CB 4.16Å; V85-A104 HydrophobicContact CB-CB 4.37Å; V85-A104 HydrophobicContact CG1-CB 3.87Å; V85-A104 HydrophobicContact CG2-CB 4.41Å; V85-I121 HydrophobicContact CG1-CD1 3.82Å; V85-I121 HydrophobicContact CG1-CG1 3.96Å; V85-S122 CarbonylContact C-O 3.54Å; V85-S122 VanDerWaalsContact CA-O 3.31Å; V85-S122 WeakPolarHBondContact CA-O 3.44Å
86H94.6Very high89.9Confident35 Ų3549.1 Ų49.116%0.16229%0.293CS..EExtended strand (participates in β ladder)trans-117.6137.5171.2-68.473.4000109.5T84 L93 V94 S122T84-H86 PolarHBondContact O-N 3.42Å; T84-H86 PolarHBondContact O-ND1 3.48Å; H86-L93 HydrophobicContact CB-CD1 3.89Å; H86-L93 HydrophobicContact CB-CG 4.45Å; H86-V94 WeakPolarHBondContact CA-O 3.13Å; H86-S122 PolarHBondContact N-O 3.22Å; H86-S122 PolarHBondContact O-N 3.32Å
87V94.7Very high90.4Very high0 Ų055.2 Ų55.20%031%0.313CS..EExtended strand (participates in β ladder)trans-119.7122.8176.3-178.90000108.2V74 V85 F89 V94 C96 V119 K120 I121V74-V87 HydrophobicContact CG1-CG2 4.27Å; V74-V87 HydrophobicContact CG2-CG2 4.24Å; V85-V87 HydrophobicContact CG1-CG2 4.37Å; V87-F89 HydrophobicContact CB-CE2 3.93Å; V87-F89 HydrophobicContact CG1-CD2 3.97Å; V87-F89 HydrophobicContact CG1-CE1 4.48Å; V87-F89 HydrophobicContact CG1-CE2 3.36Å; V87-F89 HydrophobicContact CG1-CZ 3.64Å; V87-V94 PolarHBondContact N-O 2.93Å; V87-V94 PolarHBondContact O-N 3.47Å; V87-C96 WeakPolarHBondContact CG2-SG 3.35Å; V87-V119 HydrophobicContact CG1-CG1 3.25Å; V87-K120 CarbonylContact C-O 3.57Å; V87-K120 WeakPolarHBondContact CA-O 3.11Å; V87-I121 HydrophobicContact CG2-CB 4.36Å; V87-I121 HydrophobicContact CG2-CD1 4.3Å; V87-I121 HydrophobicContact CG2-CG1 4.04Å
88L94.7Very high90.9Very high34 Ų3456.9 Ų56.918%0.17832%0.321CS..EExtended strand (participates in β ladder)trans-99.2111.3-179.8-179.568.2000108.8D90 L92 L93 V119 K120 F129L88-D90 WeakPolarHBondContact CD1-O 3.45Å; L88-D90 VanDerWaalsContact CG-O 3.3Å; L88-D90 WeakPolarHBondContact CG-O 3.21Å; L88-L92 CarbonylContact C-O 3.57Å; L88-L92 WeakPolarHBondContact CA-O 3.44Å; L88-L93 HydrophobicContact CB-CD1 4.11Å; L88-L93 HydrophobicContact CD1-CB 4.2Å; L88-L93 HydrophobicContact CD1-CD1 4.15Å; L88-V119 CarbonylContact O-C 3.55Å; L88-V119 VanDerWaalsContact O-CA 3.29Å; L88-V119 WeakPolarHBondContact O-CA 3.43Å; L88-K120 HydrophobicContact CB-CB 4.47Å; L88-K120 PolarHBondContact N-O 3.29Å; L88-K120 PolarHBondContact O-N 3Å; L88-F129 HydrophobicContact CB-CD1 4.16Å; L88-F129 HydrophobicContact CB-CE1 3.57Å; L88-F129 HydrophobicContact CB-CZ 4.01Å; L88-F129 HydrophobicContact CD2-CE1 4.41Å; L88-F129 HydrophobicContact CD2-CE2 4.49Å; L88-F129 HydrophobicContact CD2-CZ 4.31Å
89F93.6Very high91Very high0 Ų055.8 Ų55.80%031%0.309CS..EExtended strand (participates in β ladder)trans-95.692.8172.3-65-96.2000108.5I59 V72 V87 E91 L92 V94 L108 V117 V119 F135 F137I59-F89 HydrophobicContact CD1-CE1 4.03Å; I59-F89 HydrophobicContact CD1-CZ 4.36Å; V72-F89 HydrophobicContact CG2-CZ 4.3Å; V87-F89 HydrophobicContact CB-CE2 3.93Å; V87-F89 HydrophobicContact CG1-CD2 3.97Å; V87-F89 HydrophobicContact CG1-CE1 4.48Å; V87-F89 HydrophobicContact CG1-CE2 3.36Å; V87-F89 HydrophobicContact CG1-CZ 3.64Å; F89-E91 PolarHBondContact O-N 2.83Å; F89-L92 HydrophobicContact CB-CB 4.28Å; F89-L92 PolarHBondContact N-O 2.98Å; F89-L92 WeakPolarHBondContact O-CB 3.24Å; F89-L92 PolarHBondContact O-N 2.83Å; F89-V94 HydrophobicContact CD2-CB 4.47Å; F89-V94 HydrophobicContact CD2-CG2 3.86Å; F89-V94 HydrophobicContact CE2-CB 4.32Å; F89-V94 HydrophobicContact CE2-CG2 4.06Å; F89-L108 HydrophobicContact CD1-CD2 4.41Å; F89-L108 HydrophobicContact CD2-CD2 4.04Å; F89-L108 HydrophobicContact CE1-CD2 3.92Å; F89-L108 HydrophobicContact CE2-CD2 3.49Å; F89-L108 VanDerWaalsContact CE2-CD2 3.49Å; F89-L108 HydrophobicContact CG-CD2 4.49Å; F89-L108 HydrophobicContact CZ-CD2 3.44Å; F89-L108 VanDerWaalsContact CZ-CD2 3.44Å; F89-V117 HydrophobicContact CD1-CG2 4.38Å; F89-V119 HydrophobicContact CD1-CB 4.35Å; F89-V119 HydrophobicContact CD1-CG1 3.99Å; F89-V119 HydrophobicContact CD1-CG2 3.41Å; F89-V119 VanDerWaalsContact CD1-CG2 3.41Å; F89-V119 HydrophobicContact CE1-CB 4.46Å; F89-V119 HydrophobicContact CE1-CG1 3.89Å; F89-V119 HydrophobicContact CE1-CG2 3.69Å; F89-V119 HydrophobicContact CG-CG1 4.34Å; F89-V119 HydrophobicContact CG-CG2 4.26Å; F89-V119 HydrophobicContact CZ-CG1 4.15Å; F89-F135 HydrophobicContact CD1-CB 4.24Å; F89-F135 HydrophobicContact CD1-CD1 4.22Å; F89-F135 HydrophobicContact CD1-CG 4.31Å; F89-F135 HydrophobicContact CE1-CB 4.16Å; F89-F135 HydrophobicContact CE1-CD1 4.19Å; F89-F135 HydrophobicContact CE1-CD2 4.4Å; F89-F135 HydrophobicContact CE1-CG 4.01Å; F89-F137 HydrophobicContact CB-CE2 4.17Å; F89-F137 HydrophobicContact CB-CZ 4.43Å; F89-F137 HydrophobicContact CD1-CE2 4.13Å; F89-F137 HydrophobicContact CD1-CZ 4.19Å; F89-F137 HydrophobicContact CG-CE2 4.44Å; F89-F137 HydrophobicContact CG-CZ 4.42Å
90D91.7Very high91Very high66 Ų6658.4 Ų58.435%0.35332%0.322SS..THydrogen-bonded Turntrans56.9-95.9-172.1-162.728.9000111.8L88 F111 R113 V117 T118L88-D90 WeakPolarHBondContact CD1-O 3.45Å; L88-D90 VanDerWaalsContact CG-O 3.3Å; L88-D90 WeakPolarHBondContact CG-O 3.21Å; D90-F111 HydrophobicContact CB-CZ 4.35Å; D90-R113 IonicContact OD2-NH1 3.64Å; D90-R113 PolarHBondContact OD2-NH1 3.14Å; D90-V117 HydrophobicContact CB-CB 4.14Å; D90-V117 HydrophobicContact CB-CG1 4.19Å; D90-T118 PolarHBondContact N-O 2.69Å
91E90.5Very high91Very high134 Ų13457.6 Ų57.663%0.62632%0.316SS*.THydrogen-bonded Turntrans-101.5-10.6177.8-61.5170-157.700112.8F89 R113F89-E91 PolarHBondContact O-N 2.83Å; E91-R113 IonicContact OE1-CZ 2.66Å; E91-R113 VanDerWaalsContact OE1-CZ 3.24Å; E91-R113 IonicContact OE1-NH1 3.03Å; E91-R113 PolarHBondContact OE1-NH1 2.79Å; E91-R113 IonicContact OE1-NH2 3.7Å; E91-R113 PolarHBondContact OE1-NH2 3.49Å; E91-R113 IonicContact OE2-NH2 3.51Å
92L91.8Very high91Very high33 Ų3358.4 Ų58.417%0.17331%0.31CS..EExtended strand (participates in β ladder)trans-93.9108.2-174.1175.671.1000111.5L88 F89 V94 P109 F111L88-L92 CarbonylContact C-O 3.57Å; L88-L92 WeakPolarHBondContact CA-O 3.44Å; F89-L92 HydrophobicContact CB-CB 4.28Å; F89-L92 PolarHBondContact N-O 2.98Å; F89-L92 WeakPolarHBondContact O-CB 3.24Å; F89-L92 PolarHBondContact O-N 2.83Å; L92-V94 HydrophobicContact CD2-CG2 4.04Å; L92-V94 HydrophobicContact CG-CG2 3.9Å; L92-P109 HydrophobicContact CD1-CG 3.74Å; L92-P109 HydrophobicContact CD2-CG 3.77Å; L92-P109 HydrophobicContact CG-CG 4.15Å; L92-F111 HydrophobicContact CB-CD2 3.7Å; L92-F111 HydrophobicContact CB-CE2 3.72Å; L92-F111 HydrophobicContact CD2-CB 4.03Å; L92-F111 HydrophobicContact CD2-CD2 3.81Å; L92-F111 HydrophobicContact CD2-CG 4.11Å; L92-F111 HydrophobicContact CG-CD2 4.25Å
93L93.9Very high91.3Very high91 Ų9158.3 Ų58.348%0.47629%0.291SS..EExtended strand (participates in β ladder)trans-85.9123.1174.1-167.870000111.1H86 L88 F129H86-L93 HydrophobicContact CB-CD1 3.89Å; H86-L93 HydrophobicContact CB-CG 4.45Å; L88-L93 HydrophobicContact CB-CD1 4.11Å; L88-L93 HydrophobicContact CD1-CB 4.2Å; L88-L93 HydrophobicContact CD1-CD1 4.15Å; L93-F129 HydrophobicContact CD1-CE1 4.28Å; L93-F129 HydrophobicContact CD1-CZ 3.83Å
94V94.7Very high91.6Very high9 Ų957.4 Ų57.46%0.05528%0.284CS..EExtended strand (participates in β ladder)trans-118.6127.8-179.4-1760000109.8H86 V87 F89 L92 C106 I107 P109H86-V94 WeakPolarHBondContact CA-O 3.13Å; V87-V94 PolarHBondContact N-O 2.93Å; V87-V94 PolarHBondContact O-N 3.47Å; F89-V94 HydrophobicContact CD2-CB 4.47Å; F89-V94 HydrophobicContact CD2-CG2 3.86Å; F89-V94 HydrophobicContact CE2-CB 4.32Å; F89-V94 HydrophobicContact CE2-CG2 4.06Å; L92-V94 HydrophobicContact CD2-CG2 4.04Å; L92-V94 HydrophobicContact CG-CG2 3.9Å; V94-C106 HydrophobicContact CG1-CB 4.05Å; V94-I107 WeakPolarHBondContact CG1-O 3.45Å; V94-P109 HydrophobicContact CG2-CG 4.09Å
95L94.1Very high91.7Very high122 Ų12257 Ų5764%0.63928%0.277SS*.EExtended strand (participates in β ladder)trans-77.7128.5170.6179.266.2000109.7
96C94.1Very high91.7Very high9 Ų957 Ų576%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-117.7148.1-176.6-54.10000111.5V85 V87 A104 Q105 C106V85-C96 HydrophobicContact CB-CB 4.26Å; V85-C96 HydrophobicContact CG1-CB 4.1Å; V85-C96 PolarHBondContact O-N 2.84Å; V87-C96 WeakPolarHBondContact CG2-SG 3.35Å; C96-A104 HydrophobicContact CB-CB 4.29Å; C96-Q105 CarbonylContact C-O 3.59Å; C96-Q105 WeakPolarHBondContact CA-O 3.49Å; C96-C106 HydrophobicContact CB-CB 3.97Å; C96-C106 WeakPolarHBondContact CB-SG 3.28Å; C96-C106 WeakPolarHBondContact SG-CB 3.3Å; C96-C106 CovalentContact SG-SG 2.01Å; C96-C106 PolarHBondContact SG-SG 2.92Å
97K93.1Very high91.7Very high149 Ų14960.9 Ų60.965%0.64830%0.297SS*.EExtended strand (participates in β ladder)trans-88.4121174.3-174.6176.1-179.4178.40110L99 A104 Q105K97-L99 HydrophobicContact CD-CD2 4.44Å; K97-L99 PolarHBondContact O-N 2.82Å; K97-A104 CarbonylContact O-C 3.37Å; K97-A104 WeakPolarHBondContact O-CA 3.14Å; K97-Q105 PolarHBondContact N-O 3Å; K97-Q105 PolarHBondContact O-N 3Å
98Q91.8Very high91.6Very high40 Ų4060.9 Ų60.919%0.18730%0.297CS..EExtended strand (participates in β ladder)trans-68.8124.8169.7-170.4-179.323.800109.7L79 P80 S83 V85 N100L79-Q98 VanDerWaalsContact CB-NE2 3.31Å; L79-Q98 HydrophobicContact CD1-CG 4.44Å; L79-Q98 PolarHBondContact O-NE2 2.74Å; P80-Q98 PolarHBondContact O-NE2 3.21Å; P80-Q98 PolarHBondContact O-OE1 3.17Å; S83-Q98 PolarHBondContact OG-OE1 2.79Å; V85-Q98 HydrophobicContact CG2-CB 4.16Å; Q98-N100 VanDerWaalsContact CG-O 3.24Å; Q98-N100 WeakPolarHBondContact CG-O 3.48Å; Q98-N100 PolarHBondContact NE2-O 2.81Å
99L89.3Confident91.4Very high65 Ų6561.9 Ų61.934%0.3431%0.306SS..EExtended strand (participates in β ladder)trans-100.8-31.9175.8-60.9177.6000112K97 R103 Q105K97-L99 HydrophobicContact CD-CD2 4.44Å; K97-L99 PolarHBondContact O-N 2.82Å; L99-R103 HydrophobicContact CB-CG 3.62Å; L99-R103 HydrophobicContact CD1-CG 4.15Å; L99-R103 HydrophobicContact CG-CG 4.38Å; L99-R103 PolarHBondContact N-O 3.3Å; L99-Q105 HydrophobicContact CD1-CB 3.83Å; L99-Q105 HydrophobicContact CG-CB 4.07Å
100N86.1Confident91.3Very high57 Ų5769.1 Ų69.131%0.30533%0.333SS..EExtended strand (participates in β ladder)trans-157.1-173.6170.76818.5000110.1Q98 H102 R103Q98-N100 VanDerWaalsContact CG-O 3.24Å; Q98-N100 WeakPolarHBondContact CG-O 3.48Å; Q98-N100 PolarHBondContact NE2-O 2.81Å; N100-H102 PolarHBondContact O-N 3.11Å; N100-H102 VanDerWaalsContact O-N 3.16Å; N100-H102 WeakPolarHBondContact OD1-CA 3.28Å; N100-H102 PolarHBondContact OD1-N 3.12Å; N100-R103 PolarHBondContact N-O 3.29Å; N100-R103 VanDerWaalsContact ND2-CD 3.28Å; N100-R103 WeakPolarHBondContact ND2-CD 3.33Å; N100-R103 PolarHBondContact ND2-NE 3.46Å; N100-R103 VanDerWaalsContact ND2-NE 3.11Å; N100-R103 WeakPolarHBondContact OD1-CB 3.32Å; N100-R103 WeakPolarHBondContact OD1-CG 3.4Å; N100-R103 PolarHBondContact OD1-N 3.5Å
101V87.3Confident91.2Very high53 Ų5366.8 Ų66.832%0.32132%0.32SS..THydrogen-bonded Turntrans-65.9-8.9178.2-660000114.6C78 L79C78-V101 CarbonylContact C-O 3.6Å; C78-V101 WeakPolarHBondContact CA-O 3.19Å; L79-V101 PolarHBondContact N-O 3.31Å; L79-V101 WeakPolarHBondContact O-CA 3.27Å
102H83.9Confident91Very high109 Ų10967.7 Ų67.751%0.50532%0.324SS..THydrogen-bonded Turntrans-123.6-9.6-176.4-57.2-48.1000113.9S75 N100S75-H102 VanDerWaalsContact CA-O 3.32Å; S75-H102 WeakPolarHBondContact CA-O 3.39Å; S75-H102 WeakPolarHBondContact CB-O 3.42Å; N100-H102 PolarHBondContact O-N 3.11Å; N100-H102 VanDerWaalsContact O-N 3.16Å; N100-H102 WeakPolarHBondContact OD1-CA 3.28Å; N100-H102 PolarHBondContact OD1-N 3.12Å
103R87.3Confident90.7Very high120 Ų12071.8 Ų71.845%0.45334%0.337SS..EExtended strand (participates in β ladder)trans-142128.9-169.490.8-162.5162.7169.5-4.3111.1V74 L99 N100V74-R103 WeakPolarHBondContact O-CA 3.5Å; L99-R103 HydrophobicContact CB-CG 3.62Å; L99-R103 HydrophobicContact CD1-CG 4.15Å; L99-R103 HydrophobicContact CG-CG 4.38Å; L99-R103 PolarHBondContact N-O 3.3Å; N100-R103 PolarHBondContact N-O 3.29Å; N100-R103 VanDerWaalsContact ND2-CD 3.28Å; N100-R103 WeakPolarHBondContact ND2-CD 3.33Å; N100-R103 PolarHBondContact ND2-NE 3.46Å; N100-R103 VanDerWaalsContact ND2-NE 3.11Å; N100-R103 WeakPolarHBondContact OD1-CB 3.32Å; N100-R103 WeakPolarHBondContact OD1-CG 3.4Å; N100-R103 PolarHBondContact OD1-N 3.5Å
104A91.8Very high90.4Very high0 Ų070.5 Ų70.50%033%0.333CS..EExtended strand (participates in β ladder)trans-117.8151.9167.100000109.3V74 L79 V85 C96 K97V74-A104 PolarHBondContact N-O 2.95Å; V74-A104 PolarHBondContact O-N 3.06Å; L79-A104 HydrophobicContact CD1-CB 4.05Å; V85-A104 HydrophobicContact CB-CB 4.37Å; V85-A104 HydrophobicContact CG1-CB 3.87Å; V85-A104 HydrophobicContact CG2-CB 4.41Å; C96-A104 HydrophobicContact CB-CB 4.29Å; K97-A104 CarbonylContact O-C 3.37Å; K97-A104 WeakPolarHBondContact O-CA 3.14Å
105Q93.1Very high90.3Very high71 Ų7171 Ų7133%0.33234%0.34SS..EExtended strand (participates in β ladder)trans-121.2124.7179.4-178173.273.800108.9T71 N73 C96 K97 L99T71-Q105 HydrophobicContact CG2-CG 3.26Å; T71-Q105 VanDerWaalsContact CG2-NE2 3.33Å; N73-Q105 PolarHBondContact OD1-NE2 3.06Å; C96-Q105 CarbonylContact C-O 3.59Å; C96-Q105 WeakPolarHBondContact CA-O 3.49Å; K97-Q105 PolarHBondContact N-O 3Å; K97-Q105 PolarHBondContact O-N 3Å; L99-Q105 HydrophobicContact CD1-CB 3.83Å; L99-Q105 HydrophobicContact CG-CB 4.07Å
106C94.3Very high90.2Very high0 Ų072.2 Ų72.20%034%0.342CS..EExtended strand (participates in β ladder)trans-117.1145.9-179.4-43.60000109.2T71 V72 V94 C96T71-C106 CarbonylContact C-O 3.4Å; T71-C106 WeakPolarHBondContact CA-O 3.37Å; V72-C106 HydrophobicContact CG2-CB 3.76Å; V72-C106 PolarHBondContact N-O 2.65Å; V72-C106 PolarHBondContact O-N 2.96Å; V94-C106 HydrophobicContact CG1-CB 4.05Å; C96-C106 HydrophobicContact CB-CB 3.97Å; C96-C106 WeakPolarHBondContact CB-SG 3.28Å; C96-C106 WeakPolarHBondContact SG-CB 3.3Å; C96-C106 CovalentContact SG-SG 2.01Å; C96-C106 PolarHBondContact SG-SG 2.92Å
107I94.6Very high90.1Very high116 Ų11672.3 Ų72.360%0.59534%0.342SS*.EExtended strand (participates in β ladder)trans-101.9117.9168-60.1173.7000106.2V94 P109V94-I107 WeakPolarHBondContact CG1-O 3.45Å; I107-P109 WeakPolarHBondContact O-CD 3.47Å
108L91.6Very high90.2Very high0 Ų068.4 Ų68.40%033%0.331CS..  trans-71.8122.2179.7-68.6-176.5000109.6G68 G69 I70 V72 F89 F135 F137G68-L108 CarbonylContact C-O 3.52Å; G68-L108 WeakPolarHBondContact CA-O 3.41Å; G69-L108 PolarHBondContact N-O 2.66Å; I70-L108 HydrophobicContact CD1-CD1 4.05Å; I70-L108 HydrophobicContact CG1-CB 4.25Å; I70-L108 HydrophobicContact CG1-CD1 3.93Å; I70-L108 HydrophobicContact CG1-CG 4.35Å; I70-L108 PolarHBondContact O-N 2.83Å; V72-L108 HydrophobicContact CG1-CD1 3.58Å; V72-L108 HydrophobicContact CG1-CG 3.85Å; V72-L108 HydrophobicContact CG2-CD1 4.36Å; V72-L108 HydrophobicContact CG2-CD2 3.92Å; V72-L108 HydrophobicContact CG2-CG 3.87Å; F89-L108 HydrophobicContact CD1-CD2 4.41Å; F89-L108 HydrophobicContact CD2-CD2 4.04Å; F89-L108 HydrophobicContact CE1-CD2 3.92Å; F89-L108 HydrophobicContact CE2-CD2 3.49Å; F89-L108 VanDerWaalsContact CE2-CD2 3.49Å; F89-L108 HydrophobicContact CG-CD2 4.49Å; F89-L108 HydrophobicContact CZ-CD2 3.44Å; F89-L108 VanDerWaalsContact CZ-CD2 3.44Å; L108-F135 HydrophobicContact CD1-CE1 3.71Å; L108-F135 HydrophobicContact CD1-CE2 4.43Å; L108-F135 HydrophobicContact CD1-CZ 3.52Å; L108-F137 HydrophobicContact CD1-CE1 4.03Å; L108-F137 HydrophobicContact CD1-CZ 4.3Å
109P91.9Very high90.2Very high55 Ų5566.5 Ų66.536%0.35732%0.322SS..  trans-75.6177.2167.934.8-35.7000110.1G68 L92 V94 I107 F111G68-P109 WeakPolarHBondContact CA-O 3.49Å; L92-P109 HydrophobicContact CD1-CG 3.74Å; L92-P109 HydrophobicContact CD2-CG 3.77Å; L92-P109 HydrophobicContact CG-CG 4.15Å; V94-P109 HydrophobicContact CG2-CG 4.09Å; I107-P109 WeakPolarHBondContact O-CD 3.47Å; P109-F111 PolarHBondContact O-N 2.94Å
110R90.9Very high90.5Very high152 Ų15267.4 Ų67.457%0.57432%0.323SS*.  trans-63.1135.1173.7-177.6177.6-70.5-170.7-1.8110.4M66M66-R110 WeakPolarHBondContact O-CA 3.08Å
111F88.6Confident90.8Very high18 Ų1864.9 Ų64.98%0.07931%0.31CS..  trans-130.2125.7178.7-170.7-123.3000109.7M66 D90 L92 P109 R113 V117 F137M66-F111 WeakPolarHBondContact CB-O 3.07Å; M66-F111 PolarHBondContact O-N 3.04Å; M66-F111 VanDerWaalsContact O-O 3.07Å; D90-F111 HydrophobicContact CB-CZ 4.35Å; L92-F111 HydrophobicContact CB-CD2 3.7Å; L92-F111 HydrophobicContact CB-CE2 3.72Å; L92-F111 HydrophobicContact CD2-CB 4.03Å; L92-F111 HydrophobicContact CD2-CD2 3.81Å; L92-F111 HydrophobicContact CD2-CG 4.11Å; L92-F111 HydrophobicContact CG-CD2 4.25Å; P109-F111 PolarHBondContact O-N 2.94Å; F111-R113 HydrophobicContact CD1-CB 4.06Å; F111-R113 HydrophobicContact CE1-CB 3.55Å; F111-R113 HydrophobicContact CZ-CB 4Å; F111-R113 PolarHBondContact O-N 2.85Å; F111-V117 HydrophobicContact CE1-CG1 3.83Å; F111-V117 HydrophobicContact CZ-CG1 4.46Å; F111-F137 HydrophobicContact CB-CD1 4.37Å; F111-F137 HydrophobicContact CB-CE1 4.03Å; F111-F137 HydrophobicContact CB-CZ 4.15Å; F111-F137 HydrophobicContact CD1-CD1 4.23Å; F111-F137 AromaticContact CD1-CD2 3.49Å; F111-F137 HydrophobicContact CD1-CD2 3.49Å; F111-F137 VanDerWaalsContact CD1-CD2 3.49Å; F111-F137 HydrophobicContact CD1-CE1 4.27Å; F111-F137 AromaticContact CD1-CE2 3.52Å; F111-F137 HydrophobicContact CD1-CE2 3.52Å; F111-F137 AromaticContact CD1-CG 3.86Å; F111-F137 HydrophobicContact CD1-CG 3.86Å; F111-F137 AromaticContact CD1-CZ 3.93Å; F111-F137 HydrophobicContact CD1-CZ 3.93Å; F111-F137 AromaticContact CE1-CD2 3.85Å; F111-F137 HydrophobicContact CE1-CD2 3.85Å; F111-F137 AromaticContact CE1-CE2 3.92Å; F111-F137 HydrophobicContact CE1-CE2 3.92Å; F111-F137 HydrophobicContact CG-CE2 4.23Å; F111-F137 HydrophobicContact CG-CZ 4.23Å
112H86.1Confident91Very high153 Ų15362.3 Ų62.371%0.70829%0.294SS*.SBendtrans-88.423.4-170.8-60.195.5000114
113R85.6Confident91.4Very high118 Ų11860.2 Ų60.245%0.44528%0.284SS..  trans-127.2151174.7-80.1-173.2-179.9158.211.3110.3D90 E91 F111 F137D90-R113 IonicContact OD2-NH1 3.64Å; D90-R113 PolarHBondContact OD2-NH1 3.14Å; E91-R113 IonicContact OE1-CZ 2.66Å; E91-R113 VanDerWaalsContact OE1-CZ 3.24Å; E91-R113 IonicContact OE1-NH1 3.03Å; E91-R113 PolarHBondContact OE1-NH1 2.79Å; E91-R113 IonicContact OE1-NH2 3.7Å; E91-R113 PolarHBondContact OE1-NH2 3.49Å; E91-R113 IonicContact OE2-NH2 3.51Å; F111-R113 HydrophobicContact CD1-CB 4.06Å; F111-R113 HydrophobicContact CE1-CB 3.55Å; F111-R113 HydrophobicContact CZ-CB 4Å; F111-R113 PolarHBondContact O-N 2.85Å; R113-F137 WeakPolarHBondContact O-CB 3.38Å
114V88.7Confident91.6Very high65 Ų6556.9 Ų56.939%0.39428%0.276SS..  trans-123.7140.5179.8174.20000107.2M66 F137 L139M66-V114 HydrophobicContact CB-CG2 4.39Å; M66-V114 HydrophobicContact SD-CG2 3.76Å; V114-F137 CarbonylContact C-O 3.45Å; V114-F137 WeakPolarHBondContact CA-O 3.43Å; V114-F137 VanDerWaalsContact CG1-O 3.26Å; V114-F137 WeakPolarHBondContact CG1-O 3.44Å; V114-L139 HydrophobicContact CB-CG 4.27Å; V114-L139 HydrophobicContact CG1-CD1 4.38Å; V114-L139 HydrophobicContact CG1-CG 3.87Å; V114-L139 HydrophobicContact CG2-CD2 3.6Å; V114-L139 HydrophobicContact CG2-CG 3.59Å
115G91.4Very high91.4Very high19 Ų1958.6 Ų58.620%0.19629%0.293CS..EExtended strand (participates in β ladder)trans126.5-172.7179.600000112.7F137G115-F137 PolarHBondContact N-O 3.38Å; G115-F137 PolarHBondContact O-N 2.9Å
116H92.5Very high91.2Very high147 Ų14756.3 Ų56.368%0.68129%0.289SS*.EExtended strand (participates in β ladder)trans-73.1126.4173.5-74.4-86.3000110.1F135 Y136H116-F135 WeakPolarHBondContact CA-O 3.5Å; H116-Y136 AromaticContact CD2-CD2 3.56Å; H116-Y136 AromaticContact CE1-CD2 3.88Å; H116-Y136 AromaticContact CG-CD2 3.9Å; H116-Y136 AromaticContact NE2-CD2 3.54Å
117V93.1Very high90.9Very high11 Ų1166.1 Ų66.17%0.06733%0.326CS..EExtended strand (participates in β ladder)trans-113.6149.2173.7-64.70000110.6F89 D90 F111 V119 S134 F135 F137F89-V117 HydrophobicContact CD1-CG2 4.38Å; D90-V117 HydrophobicContact CB-CB 4.14Å; D90-V117 HydrophobicContact CB-CG1 4.19Å; F111-V117 HydrophobicContact CE1-CG1 3.83Å; F111-V117 HydrophobicContact CZ-CG1 4.46Å; V117-V119 HydrophobicContact CG2-CG2 4.18Å; V117-S134 WeakPolarHBondContact O-CA 3.25Å; V117-F135 HydrophobicContact CG2-CB 3.99Å; V117-F135 HydrophobicContact CG2-CD1 4.39Å; V117-F135 VanDerWaalsContact CG2-O 3.25Å; V117-F135 WeakPolarHBondContact CG2-O 3.2Å; V117-F135 PolarHBondContact N-O 2.61Å; V117-F135 PolarHBondContact O-N 3.19Å; V117-F137 HydrophobicContact CB-CD2 4.44Å; V117-F137 HydrophobicContact CG1-CD2 3.86Å; V117-F137 HydrophobicContact CG1-CE2 4.27Å; V117-F137 HydrophobicContact CG2-CD2 3.69Å; V117-F137 HydrophobicContact CG2-CE2 3.64Å
118T93.4Very high90.8Very high68 Ų6866.5 Ų66.542%0.41733%0.325SS..EExtended strand (participates in β ladder)trans-78.8127.8169.4-58.60000108.4D90 K120 T132D90-T118 PolarHBondContact N-O 2.69Å; T118-K120 HydrophobicContact CG2-CG 4.32Å; T118-T132 HydrophobicContact CG2-CG2 3.4Å
119V93.6Very high90.8Very high0 Ų069.2 Ų69.20%034%0.337CS..EExtended strand (participates in β ladder)trans-108.7136175.8-170.20000109.9L57 I59 V87 L88 F89 V117 T132 G133 F135L57-V119 HydrophobicContact CD2-CG1 4.29Å; I59-V119 HydrophobicContact CD1-CB 3.66Å; I59-V119 HydrophobicContact CD1-CG1 3.42Å; I59-V119 VanDerWaalsContact CD1-CG1 3.42Å; I59-V119 HydrophobicContact CD1-CG2 3.71Å; V87-V119 HydrophobicContact CG1-CG1 3.25Å; L88-V119 CarbonylContact O-C 3.55Å; L88-V119 VanDerWaalsContact O-CA 3.29Å; L88-V119 WeakPolarHBondContact O-CA 3.43Å; F89-V119 HydrophobicContact CD1-CB 4.35Å; F89-V119 HydrophobicContact CD1-CG1 3.99Å; F89-V119 HydrophobicContact CD1-CG2 3.41Å; F89-V119 VanDerWaalsContact CD1-CG2 3.41Å; F89-V119 HydrophobicContact CE1-CB 4.46Å; F89-V119 HydrophobicContact CE1-CG1 3.89Å; F89-V119 HydrophobicContact CE1-CG2 3.69Å; F89-V119 HydrophobicContact CG-CG1 4.34Å; F89-V119 HydrophobicContact CG-CG2 4.26Å; F89-V119 HydrophobicContact CZ-CG1 4.15Å; V117-V119 HydrophobicContact CG2-CG2 4.18Å; V119-T132 CarbonylContact O-C 3.53Å; V119-T132 VanDerWaalsContact O-CA 3.29Å; V119-T132 WeakPolarHBondContact O-CA 3.45Å; V119-G133 PolarHBondContact N-O 2.8Å; V119-G133 PolarHBondContact O-N 3.12Å; V119-F135 HydrophobicContact CG2-CB 3.43Å; V119-F135 VanDerWaalsContact CG2-CB 3.43Å
120K93.8Very high90.7Very high84 Ų8470.2 Ų70.237%0.36534%0.343SS..EExtended strand (participates in β ladder)trans-129.4147.6175.5-52.1178.8-177.3172.20110.1V87 L88 T118 F129 Y131 T132V87-K120 CarbonylContact C-O 3.57Å; V87-K120 WeakPolarHBondContact CA-O 3.11Å; L88-K120 HydrophobicContact CB-CB 4.47Å; L88-K120 PolarHBondContact N-O 3.29Å; L88-K120 PolarHBondContact O-N 3Å; T118-K120 HydrophobicContact CG2-CG 4.32Å; K120-F129 HydrophobicContact CB-CB 3.88Å; K120-F129 HydrophobicContact CB-CD1 3.66Å; K120-F129 HydrophobicContact CB-CG 4.08Å; K120-F129 HydrophobicContact CD-CB 4.13Å; K120-Y131 VanDerWaalsContact CA-O 3.3Å; K120-Y131 WeakPolarHBondContact CA-O 3.12Å; K120-T132 HydrophobicContact CG-CG2 4.35Å
121I92.9Very high90.6Very high3 Ų367.2 Ų67.22%0.01533%0.333CS..EExtended strand (participates in β ladder)trans-117.4137.9179-174.9169.4000110.9L57 V74 P77 L79 V85 V87 F129 P130 Y131L57-I121 HydrophobicContact CD1-CB 4.01Å; L57-I121 HydrophobicContact CD1-CD1 4.22Å; L57-I121 HydrophobicContact CD1-CG2 3.7Å; L57-I121 HydrophobicContact CD2-CB 4.14Å; L57-I121 HydrophobicContact CD2-CG2 3.96Å; L57-I121 HydrophobicContact CG-CG2 4.37Å; V74-I121 HydrophobicContact CG1-CD1 3.91Å; P77-I121 HydrophobicContact CG-CD1 4.27Å; P77-I121 HydrophobicContact CG-CG2 4.11Å; L79-I121 HydrophobicContact CD2-CD1 4.06Å; V85-I121 HydrophobicContact CG1-CD1 3.82Å; V85-I121 HydrophobicContact CG1-CG1 3.96Å; V87-I121 HydrophobicContact CG2-CB 4.36Å; V87-I121 HydrophobicContact CG2-CD1 4.3Å; V87-I121 HydrophobicContact CG2-CG1 4.04Å; I121-F129 WeakPolarHBondContact O-CA 3.26Å; I121-P130 WeakPolarHBondContact O-CD 3.43Å; I121-Y131 HydrophobicContact CG2-CD2 3.89Å; I121-Y131 HydrophobicContact CG2-CG 4.26Å; I121-Y131 PolarHBondContact N-O 3.16Å
122S93Very high90.8Very high0 Ų070.3 Ų70.30%035%0.353CS..EExtended strand (participates in β ladder)trans-118.4139.5171162.90000109V85 H86 D124 G126 H128V85-S122 CarbonylContact C-O 3.54Å; V85-S122 VanDerWaalsContact CA-O 3.31Å; V85-S122 WeakPolarHBondContact CA-O 3.44Å; H86-S122 PolarHBondContact N-O 3.22Å; H86-S122 PolarHBondContact O-N 3.32Å; S122-D124 PolarHBondContact OG-N 3.1Å; S122-D124 PolarHBondContact OG-OD1 3.01Å; S122-G126 VanDerWaalsContact OG-CA 3.23Å; S122-G126 WeakPolarHBondContact OG-CA 3.35Å; S122-G126 PolarHBondContact OG-N 3.02Å; S122-H128 VanDerWaalsContact CA-O 3.24Å; S122-H128 WeakPolarHBondContact CA-O 3.42Å; S122-H128 WeakPolarHBondContact CB-O 3.17Å; S122-H128 PolarHBondContact OG-O 3.03Å
123H92.1Very high91Very high64 Ų6463.9 Ų63.930%0.29633%0.329SS..SBendtrans-113.47.2174.160.6-84.2000112.1L79 S83L79-H123 HydrophobicContact CD2-CB 3.95Å; S83-H123 WeakPolarHBondContact CB-O 3.32Å
124D91.2Very high91.2Very high51 Ų5162.2 Ų62.227%0.27334%0.335SS..BIsolated β-bridgetrans-12226.5-173.368.7-18.3000112.8S122 R127 H128S122-D124 PolarHBondContact OG-N 3.1Å; S122-D124 PolarHBondContact OG-OD1 3.01Å; D124-R127 PolarHBondContact OD1-N 3.03Å; D124-R127 WeakPolarHBondContact OD2-CB 3.49Å; D124-H128 PolarHBondContact OD1-N 3.24Å; D124-H128 WeakPolarHBondContact OD2-CB 3.12Å; D124-H128 IonicContact OD2-CE1 3.92Å; D124-H128 IonicContact OD2-CG 2.87Å; D124-H128 PolarHBondContact OD2-N 2.99Å; D124-H128 IonicContact OD2-ND1 3.24Å; D124-H128 PolarHBondContact OD2-ND1 2.87Å
125G87.3Confident91.3Very high35 Ų3559.2 Ų59.236%0.36132%0.316SS..SBendtrans82.324.5177.300000114.3T84T84-G125 PolarHBondContact O-N 3.04Å; T84-G125 VanDerWaalsContact OG1-CA 3.26Å; T84-G125 WeakPolarHBondContact OG1-CA 3.4Å; T84-G125 PolarHBondContact OG1-N 3.2Å; T84-G125 VanDerWaalsContact OG1-N 3.15Å
126G87.8Confident91.4Very high24 Ų2462.2 Ų62.225%0.24732%0.322CS..SBendtrans89.915.6177.300000114.8S122 F129S122-G126 VanDerWaalsContact OG-CA 3.23Å; S122-G126 WeakPolarHBondContact OG-CA 3.35Å; S122-G126 PolarHBondContact OG-N 3.02Å; G126-F129 WeakPolarHBondContact O-CE2 3.1Å
127R89Confident91.3Very high205 Ų20555.2 Ų55.277%0.77429%0.29SS*.SBendtrans-89.2-42.2-177.7-52.4178.381.3-176.86.1112.2D124D124-R127 PolarHBondContact OD1-N 3.03Å; D124-R127 WeakPolarHBondContact OD2-CB 3.49Å
128H92.3Very high90.9Very high124 Ų12455.3 Ų55.357%0.57429%0.293SS*.  trans-124.9140.1178.3-61.889.6000112.3S122 D124 P130S122-H128 VanDerWaalsContact CA-O 3.24Å; S122-H128 WeakPolarHBondContact CA-O 3.42Å; S122-H128 WeakPolarHBondContact CB-O 3.17Å; S122-H128 PolarHBondContact OG-O 3.03Å; D124-H128 PolarHBondContact OD1-N 3.24Å; D124-H128 WeakPolarHBondContact OD2-CB 3.12Å; D124-H128 IonicContact OD2-CE1 3.92Å; D124-H128 IonicContact OD2-CG 2.87Å; D124-H128 PolarHBondContact OD2-N 2.99Å; D124-H128 IonicContact OD2-ND1 3.24Å; D124-H128 PolarHBondContact OD2-ND1 2.87Å; H128-P130 VanDerWaalsContact C-CD 3.42Å; H128-P130 VanDerWaalsContact O-CD 3.29Å; H128-P130 WeakPolarHBondContact O-CD 3.01Å
129F92.5Very high90.3Very high58 Ų5856.9 Ų56.925%0.25430%0.299SS..  trans-122.471-177.3-71.8-81.8000111.6L88 L93 K120 I121 G126L88-F129 HydrophobicContact CB-CD1 4.16Å; L88-F129 HydrophobicContact CB-CE1 3.57Å; L88-F129 HydrophobicContact CB-CZ 4.01Å; L88-F129 HydrophobicContact CD2-CE1 4.41Å; L88-F129 HydrophobicContact CD2-CE2 4.49Å; L88-F129 HydrophobicContact CD2-CZ 4.31Å; L93-F129 HydrophobicContact CD1-CE1 4.28Å; L93-F129 HydrophobicContact CD1-CZ 3.83Å; K120-F129 HydrophobicContact CB-CB 3.88Å; K120-F129 HydrophobicContact CB-CD1 3.66Å; K120-F129 HydrophobicContact CB-CG 4.08Å; K120-F129 HydrophobicContact CD-CB 4.13Å; I121-F129 WeakPolarHBondContact O-CA 3.26Å; G126-F129 WeakPolarHBondContact O-CE2 3.1Å
130P88Confident89Confident75 Ų7563.8 Ų63.849%0.48733%0.326SS..  trans-73.4-26.8-171.925.5-33.4000114.7I121 H128I121-P130 WeakPolarHBondContact O-CD 3.43Å; H128-P130 VanDerWaalsContact C-CD 3.42Å; H128-P130 VanDerWaalsContact O-CD 3.29Å; H128-P130 WeakPolarHBondContact O-CD 3.01Å
131Y90.1Very high87Confident89 Ų8967.3 Ų67.335%0.34934%0.343SS..EExtended strand (participates in β ladder)trans-111.3138.6-177.7-46.7-88000110.8P77 K120 I121P77-Y131 HydrophobicContact CB-CD1 4.17Å; P77-Y131 HydrophobicContact CB-CD2 3.56Å; P77-Y131 HydrophobicContact CB-CE1 3.98Å; P77-Y131 HydrophobicContact CB-CE2 3.35Å; P77-Y131 HydrophobicContact CB-CG 3.98Å; P77-Y131 HydrophobicContact CG-CD2 3.87Å; P77-Y131 HydrophobicContact CG-CE2 4.14Å; P77-Y131 HydrophobicContact CG-CG 4.25Å; K120-Y131 VanDerWaalsContact CA-O 3.3Å; K120-Y131 WeakPolarHBondContact CA-O 3.12Å; I121-Y131 HydrophobicContact CG2-CD2 3.89Å; I121-Y131 HydrophobicContact CG2-CG 4.26Å; I121-Y131 PolarHBondContact N-O 3.16Å
132T91.6Very high84.9Confident83 Ų8372.2 Ų72.251%0.50937%0.369SS..EExtended strand (participates in β ladder)trans-123.3146.4-178-55.50000110.1T118 V119 K120T118-T132 HydrophobicContact CG2-CG2 3.4Å; V119-T132 CarbonylContact O-C 3.53Å; V119-T132 VanDerWaalsContact O-CA 3.29Å; V119-T132 WeakPolarHBondContact O-CA 3.45Å; K120-T132 HydrophobicContact CG-CG2 4.35Å
133G90.6Very high82.4Confident19 Ų1978.6 Ų78.620%0.19640%0.403CS..EExtended strand (participates in β ladder)trans-150.7-168.9175.300000110.6V119V119-G133 PolarHBondContact N-O 2.8Å; V119-G133 PolarHBondContact O-N 3.12Å
134S90.3Very high80.4Confident83 Ų8378.1 Ų78.158%0.5841%0.406SS*.EExtended strand (participates in β ladder)trans-132.5146.3-179.660.20000111.1V117V117-S134 WeakPolarHBondContact O-CA 3.25Å
135F91.8Very high78.6Confident1 Ų185.9 Ų85.90%0.00443%0.433CS..EExtended strand (participates in β ladder)trans-141.1149.1174.3-176-95.3000109.6I59 P61 D62 K63 G64 V72 F89 L108 H116 V117 V119 F137I59-F135 HydrophobicContact CB-CD2 4.25Å; I59-F135 HydrophobicContact CD1-CB 4.42Å; I59-F135 HydrophobicContact CG2-CD2 3.73Å; I59-F135 HydrophobicContact CG2-CE2 3.96Å; P61-F135 VanDerWaalsContact O-CE2 3.23Å; P61-F135 WeakPolarHBondContact O-CE2 3.35Å; D62-F135 WeakPolarHBondContact O-CD2 3.01Å; K63-F135 VanDerWaalsContact C-CZ 3.46Å; G64-F135 VanDerWaalsContact N-CZ 3.3Å; V72-F135 HydrophobicContact CG1-CE2 4.06Å; V72-F135 HydrophobicContact CG1-CZ 4.15Å; F89-F135 HydrophobicContact CD1-CB 4.24Å; F89-F135 HydrophobicContact CD1-CD1 4.22Å; F89-F135 HydrophobicContact CD1-CG 4.31Å; F89-F135 HydrophobicContact CE1-CB 4.16Å; F89-F135 HydrophobicContact CE1-CD1 4.19Å; F89-F135 HydrophobicContact CE1-CD2 4.4Å; F89-F135 HydrophobicContact CE1-CG 4.01Å; L108-F135 HydrophobicContact CD1-CE1 3.71Å; L108-F135 HydrophobicContact CD1-CE2 4.43Å; L108-F135 HydrophobicContact CD1-CZ 3.52Å; H116-F135 WeakPolarHBondContact CA-O 3.5Å; V117-F135 HydrophobicContact CG2-CB 3.99Å; V117-F135 HydrophobicContact CG2-CD1 4.39Å; V117-F135 VanDerWaalsContact CG2-O 3.25Å; V117-F135 WeakPolarHBondContact CG2-O 3.2Å; V117-F135 PolarHBondContact N-O 2.61Å; V117-F135 PolarHBondContact O-N 3.19Å; V119-F135 HydrophobicContact CG2-CB 3.43Å; V119-F135 VanDerWaalsContact CG2-CB 3.43Å; F135-F137 AromaticContact CD1-CD2 3.98Å; F135-F137 HydrophobicContact CD1-CD2 3.98Å; F135-F137 HydrophobicContact CD1-CE1 4.39Å; F135-F137 AromaticContact CD1-CE2 3.82Å; F135-F137 HydrophobicContact CD1-CE2 3.82Å; F135-F137 HydrophobicContact CD1-CG 4.35Å; F135-F137 HydrophobicContact CD1-CZ 4.03Å; F135-F137 HydrophobicContact CE1-CD1 4.04Å; F135-F137 HydrophobicContact CE1-CD2 4.3Å; F135-F137 AromaticContact CE1-CE1 3.87Å; F135-F137 HydrophobicContact CE1-CE1 3.87Å; F135-F137 HydrophobicContact CE1-CE2 4.15Å; F135-F137 HydrophobicContact CE1-CG 4.26Å; F135-F137 AromaticContact CE1-CZ 3.93Å; F135-F137 HydrophobicContact CE1-CZ 3.93Å
136Y91.6Very high76.6Confident82 Ų8289.5 Ų89.532%0.32245%0.453SS..EExtended strand (participates in β ladder)trans-109.5120.6179.3-177.1-93.9000111.6D62 K63 G64 H116D62-Y136 PolarHBondContact O-N 3.48Å; D62-Y136 VanDerWaalsContact O-N 3.08Å; K63-Y136 CarbonylContact C-O 3.58Å; K63-Y136 VanDerWaalsContact CA-O 3.27Å; K63-Y136 WeakPolarHBondContact CA-O 3.46Å; K63-Y136 HydrophobicContact CB-CD1 4.34Å; K63-Y136 HydrophobicContact CD-CD1 4.36Å; K63-Y136 HydrophobicContact CG-CD1 4.45Å; G64-Y136 PolarHBondContact N-O 3.2Å; H116-Y136 AromaticContact CD2-CD2 3.56Å; H116-Y136 AromaticContact CE1-CD2 3.88Å; H116-Y136 AromaticContact CG-CD2 3.9Å; H116-Y136 AromaticContact NE2-CD2 3.54Å
137F91.3Very high74.4Confident0 Ų092 Ų920%047%0.466CS..EExtended strand (participates in β ladder)trans-90117167.5-75.5-79000109.9G64 F89 L108 F111 R113 V114 G115 V117 F135G64-F137 CarbonylContact O-C 3.53Å; G64-F137 WeakPolarHBondContact O-CA 3.46Å; F89-F137 HydrophobicContact CB-CE2 4.17Å; F89-F137 HydrophobicContact CB-CZ 4.43Å; F89-F137 HydrophobicContact CD1-CE2 4.13Å; F89-F137 HydrophobicContact CD1-CZ 4.19Å; F89-F137 HydrophobicContact CG-CE2 4.44Å; F89-F137 HydrophobicContact CG-CZ 4.42Å; L108-F137 HydrophobicContact CD1-CE1 4.03Å; L108-F137 HydrophobicContact CD1-CZ 4.3Å; F111-F137 HydrophobicContact CB-CD1 4.37Å; F111-F137 HydrophobicContact CB-CE1 4.03Å; F111-F137 HydrophobicContact CB-CZ 4.15Å; F111-F137 HydrophobicContact CD1-CD1 4.23Å; F111-F137 AromaticContact CD1-CD2 3.49Å; F111-F137 HydrophobicContact CD1-CD2 3.49Å; F111-F137 VanDerWaalsContact CD1-CD2 3.49Å; F111-F137 HydrophobicContact CD1-CE1 4.27Å; F111-F137 AromaticContact CD1-CE2 3.52Å; F111-F137 HydrophobicContact CD1-CE2 3.52Å; F111-F137 AromaticContact CD1-CG 3.86Å; F111-F137 HydrophobicContact CD1-CG 3.86Å; F111-F137 AromaticContact CD1-CZ 3.93Å; F111-F137 HydrophobicContact CD1-CZ 3.93Å; F111-F137 AromaticContact CE1-CD2 3.85Å; F111-F137 HydrophobicContact CE1-CD2 3.85Å; F111-F137 AromaticContact CE1-CE2 3.92Å; F111-F137 HydrophobicContact CE1-CE2 3.92Å; F111-F137 HydrophobicContact CG-CE2 4.23Å; F111-F137 HydrophobicContact CG-CZ 4.23Å; R113-F137 WeakPolarHBondContact O-CB 3.38Å; V114-F137 CarbonylContact C-O 3.45Å; V114-F137 WeakPolarHBondContact CA-O 3.43Å; V114-F137 VanDerWaalsContact CG1-O 3.26Å; V114-F137 WeakPolarHBondContact CG1-O 3.44Å; G115-F137 PolarHBondContact N-O 3.38Å; G115-F137 PolarHBondContact O-N 2.9Å; V117-F137 HydrophobicContact CB-CD2 4.44Å; V117-F137 HydrophobicContact CG1-CD2 3.86Å; V117-F137 HydrophobicContact CG1-CE2 4.27Å; V117-F137 HydrophobicContact CG2-CD2 3.69Å; V117-F137 HydrophobicContact CG2-CE2 3.64Å; F135-F137 AromaticContact CD1-CD2 3.98Å; F135-F137 HydrophobicContact CD1-CD2 3.98Å; F135-F137 HydrophobicContact CD1-CE1 4.39Å; F135-F137 AromaticContact CD1-CE2 3.82Å; F135-F137 HydrophobicContact CD1-CE2 3.82Å; F135-F137 HydrophobicContact CD1-CG 4.35Å; F135-F137 HydrophobicContact CD1-CZ 4.03Å; F135-F137 HydrophobicContact CE1-CD1 4.04Å; F135-F137 HydrophobicContact CE1-CD2 4.3Å; F135-F137 AromaticContact CE1-CE1 3.87Å; F135-F137 HydrophobicContact CE1-CE1 3.87Å; F135-F137 HydrophobicContact CE1-CE2 4.15Å; F135-F137 HydrophobicContact CE1-CG 4.26Å; F135-F137 AromaticContact CE1-CZ 3.93Å; F135-F137 HydrophobicContact CE1-CZ 3.93Å
138G85.2Confident72.3Confident13 Ų1387.2 Ų87.213%0.13446%0.464CS..EExtended strand (participates in β ladder)trans-91.2147.9173.500000112.3G64 M66G64-G138 PolarHBondContact O-N 3.21Å; M66-G138 PolarHBondContact N-O 2.83Å; M66-G138 VanDerWaalsContact N-O 3.07Å
139L80.5Confident69.9Low101 Ų10189.1 Ų89.153%0.52948%0.477SS..PPolyproline II helixtrans-60152.5158.5-76.2163.2000109M66 V114 H141M66-L139 HydrophobicContact SD-CD2 3.71Å; V114-L139 HydrophobicContact CB-CG 4.27Å; V114-L139 HydrophobicContact CG1-CD1 4.38Å; V114-L139 HydrophobicContact CG1-CG 3.87Å; V114-L139 HydrophobicContact CG2-CD2 3.6Å; V114-L139 HydrophobicContact CG2-CG 3.59Å; L139-H141 VanDerWaalsContact C-N 3.29Å; L139-H141 PolarHBondContact O-N 2.84Å
140Y66.7Low67.3Low145 Ų14589.8 Ų89.857%0.56949%0.493SS*.  trans-60.2102.4156.278.1-78.6000106.6L142Y140-L142 HydrophobicContact CD2-CD1 4.06Å; Y140-L142 HydrophobicContact CD2-CG 4.35Å; Y140-L142 HydrophobicContact CE2-CD1 4.17Å
141H50.3Low65Low158 Ų15891.9 Ų91.973%0.73150%0.504SS*.  trans-131.178.2158.3-124-86000105.5L139 N143L139-H141 VanDerWaalsContact C-N 3.29Å; L139-H141 PolarHBondContact O-N 2.84Å; H141-N143 VanDerWaalsContact C-N 3.34Å; H141-N143 PolarHBondContact O-N 3.17Å
142L49.2Very low62.7Low106 Ų10693.3 Ų93.356%0.55553%0.527SS*.  14.281.6125.2-63.3160.9000112.6Y140 C144Y140-L142 HydrophobicContact CD2-CD1 4.06Å; Y140-L142 HydrophobicContact CD2-CG 4.35Å; Y140-L142 HydrophobicContact CE2-CD1 4.17Å; L142-C144 HydrophobicContact CB-CB 3.96Å; L142-C144 HydrophobicContact CD2-CB 3.67Å; L142-C144 WeakPolarHBondContact CD2-SG 3.19Å; L142-C144 HydrophobicContact CG-CB 4.39Å; L142-C144 PolarHBondContact O-N 3.17Å
143N41Very low60.3Low134 Ų13497.9 Ų97.972%0.71754%0.54SS*.  trans-71.453.5135.9-86.2-15.7000107.6H141 Y145H141-N143 VanDerWaalsContact C-N 3.34Å; H141-N143 PolarHBondContact O-N 3.17Å; N143-Y145 PolarHBondContact O-N 2.88Å; N143-Y145 VanDerWaalsContact O-N 3.12Å
144C51Low58Low54 Ų54102.6 Ų102.637%0.36557%0.568SS.*THydrogen-bonded Turntrans-82.748.5165.1-83.10000109.5L142 S146 C147L142-C144 HydrophobicContact CB-CB 3.96Å; L142-C144 HydrophobicContact CD2-CB 3.67Å; L142-C144 WeakPolarHBondContact CD2-SG 3.19Å; L142-C144 HydrophobicContact CG-CB 4.39Å; L142-C144 PolarHBondContact O-N 3.17Å; C144-S146 PolarHBondContact O-N 2.83Å; C144-C147 HydrophobicContact CB-CB 3.84Å; C144-C147 WeakPolarHBondContact SG-CB 3.5Å
145Y51.8Low55.5Low215 Ų215108.8 Ų108.884%0.84358%0.584SS**THydrogen-bonded Turntrans-70.2-8.3148.9-68.7-75.1000111.1N143N143-Y145 PolarHBondContact O-N 2.88Å; N143-Y145 VanDerWaalsContact O-N 3.12Å
146S46.1Very low53.2Low111 Ų111113.3 Ų113.378%0.77662%0.621SS**SBendtrans-116.711.4174.858.70000115.3C144C144-S146 PolarHBondContact O-N 2.83Å
147C40.7Very low51.3Low77 Ų77118.7 Ų118.752%0.5267%0.671SS.*  trans-122.538.4170.8-149.30000112.4C144 I149C144-C147 HydrophobicContact CB-CB 3.84Å; C144-C147 WeakPolarHBondContact SG-CB 3.5Å; C147-I149 PolarHBondContact O-N 3.39Å
148S44.6Very low49.3Very low104 Ų104124.6 Ų124.673%0.72770%0.704SS**  trans-74.113169.8-44.50000113.4
149I43.6Very low47.4Very low164 Ų164130.5 Ų130.584%0.84173%0.734SS**  trans-131.166.6-177.1-44.3174.5000109.3C147C147-I149 PolarHBondContact O-N 3.39Å
150A36.5Very low45.5Very low72 Ų72132.1 Ų132.160%0.59575%0.746SS**SBendtrans-152.5124.315000000108
151T40.4Very low44.3Very low118 Ų118131.4 Ų131.472%0.72476%0.756SS**  trans82.361.1168.8830000117.7F153T151-F153 VanDerWaalsContact C-N 3.3Å; T151-F153 HydrophobicContact CG2-CD2 4.14Å; T151-F153 HydrophobicContact CG2-CE2 4.28Å
152S42.1Very low43.9Very low119 Ų119129.7 Ų129.783%0.83276%0.758SS**  trans-86.680.4134.762.60000107.8P154S152-P154 WeakPolarHBondContact O-CD 3.25Å
153F41Very low43.6Very low180 Ų180131.3 Ų131.379%0.78977%0.771SS**  trans-82108.8161.1-89.4-85.3000106.7T151 K155T151-F153 VanDerWaalsContact C-N 3.3Å; T151-F153 HydrophobicContact CG2-CD2 4.14Å; T151-F153 HydrophobicContact CG2-CE2 4.28Å; F153-K155 PolarHBondContact O-N 2.63Å; F153-K155 VanDerWaalsContact O-N 3.14Å
154P43.2Very low43.7Very low118 Ų118131.1 Ų131.177%0.76678%0.775SS**  trans-67.6114.317226.5-30.1000108.6S152 A156S152-P154 WeakPolarHBondContact O-CD 3.25Å; P154-A156 PolarHBondContact O-N 3.37Å
155K37.9Very low43.2Very low213 Ų213137 Ų13793%0.92681%0.807SS**  trans-68.7115.1153.2-83.3179174.8178.40106.6F153F153-K155 PolarHBondContact O-N 2.63Å; F153-K155 VanDerWaalsContact O-N 3.14Å
156A41.7Very low42.5Very low95 Ų95130.5 Ų130.579%0.78580%0.804SS**  trans-132.4109.7158.600000106.9P154P154-A156 PolarHBondContact O-N 3.37Å
157S51.8Low42.1Very low195 Ų195132.3 Ų132.3100%1.36481%0.806SS**  trans-55.40167.752.10000112.7

Retrieved 157 of 157 residues in 85.3 ms (Link to these results)