A0A077Z948_TRITR Loading...

RecQ mediated genome instability protein 1 OB-fold domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z948, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 160 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
1M42.8Very low69.3Low242 Ų242119.6 Ų119.6100%1.19263%0.631SS**  01090-74.3177.916500107.1K3M1-K3 PolarHBondContact O-N 2.7Å; M1-K3 VanDerWaalsContact O-N 3.16Å
2T50.8Low71.1Confident134 Ų134119.4 Ų119.482%0.82262%0.621SS**  trans-61.4115.517042.40000106.9V4T2-V4 VanDerWaalsContact C-N 3.34Å; T2-V4 PolarHBondContact O-N 3.04Å
3K55.2Low72.7Confident192 Ų192111.2 Ų111.284%0.83558%0.577SS**  trans-64.1102.7173-160.8-178.4-177.6-1690105M1 E5M1-K3 PolarHBondContact O-N 2.7Å; M1-K3 VanDerWaalsContact O-N 3.16Å; K3-E5 VanDerWaalsContact C-N 3.35Å; K3-E5 PolarHBondContact O-N 2.98Å
4V61.4Low73.9Confident125 Ų125111.2 Ų111.276%0.75857%0.573SS**  trans-65.1105.7172.8-179.30000104.3T2 E6T2-V4 VanDerWaalsContact C-N 3.34Å; T2-V4 PolarHBondContact O-N 3.04Å; V4-E6 PolarHBondContact O-N 3.06Å
5E66.9Low74.9Confident174 Ų174112.9 Ų112.981%0.81358%0.577SS**PPolyproline II helixtrans-63118.7172.3-67.7-172.7162.600106.5K3K3-E5 VanDerWaalsContact C-N 3.35Å; K3-E5 PolarHBondContact O-N 2.98Å
6E68Low75.6Confident109 Ų109108.9 Ų108.951%0.50956%0.555SS.*PPolyproline II helixtrans-61.7134.1172.4-71175.5178.500107.6V4 I8V4-E6 PolarHBondContact O-N 3.06Å; E6-I8 PolarHBondContact O-N 2.97Å
7P78.7Confident76.4Confident73 Ų73115.4 Ų115.447%0.47457%0.571SS.*PPolyproline II helixtrans-63.7133.6-176.725.5-31.7000109.5K56 S57 E58P7-K56 WeakPolarHBondContact CG-O 3.37Å; P7-S57 WeakPolarHBondContact O-CA 3.32Å; P7-S57 WeakPolarHBondContact O-CB 3.4Å; P7-S57 PolarHBondContact O-OG 2.79Å; P7-E58 PolarHBondContact O-N 2.78Å
8I82.7Confident77Confident109 Ų109118.9 Ų118.956%0.55959%0.586SS**PPolyproline II helixtrans-73.7147.1176.5-59.2170000108.2E6 S57E6-I8 PolarHBondContact O-N 2.97Å; I8-S57 PolarHBondContact O-OG 3.16Å
9L84.2Confident77.9Confident9 Ų9119.2 Ų119.25%0.04758%0.58CS.*PPolyproline II helixtrans-64.1132.1173.6-74.7169.9000110I11 W13 L23 D54 V59L9-I11 HydrophobicContact CB-CD1 4.07Å; L9-I11 HydrophobicContact CB-CG1 4.26Å; L9-I11 HydrophobicContact CD1-CD1 4.22Å; L9-I11 PolarHBondContact O-N 2.92Å; L9-W13 HydrophobicContact CD1-CH2 4.43Å; L9-W13 HydrophobicContact CD1-CZ2 3.96Å; L9-L23 HydrophobicContact CD1-CD1 3.76Å; L9-L23 HydrophobicContact CD1-CD2 3.93Å; L9-D54 HydrophobicContact CD2-CB 3.96Å; L9-D54 WeakPolarHBondContact CD2-OD2 3.43Å; L9-V59 HydrophobicContact CD1-CB 3.82Å; L9-V59 HydrophobicContact CD1-CG1 3.54Å
10P84.9Confident78.7Confident123 Ų123116.2 Ų116.280%0.79957%0.571SS**  trans-78.651178.735.1-37.4000111.1
11I86.9Confident79.4Confident26 Ų26111.6 Ų111.613%0.13355%0.55CS..  trans-117.2129.2-176.8-62168.6000107.8L9 W13 V21L9-I11 HydrophobicContact CB-CD1 4.07Å; L9-I11 HydrophobicContact CB-CG1 4.26Å; L9-I11 HydrophobicContact CD1-CD1 4.22Å; L9-I11 PolarHBondContact O-N 2.92Å; I11-W13 HydrophobicContact CB-CD2 4.39Å; I11-W13 HydrophobicContact CB-CZ2 4.21Å; I11-W13 HydrophobicContact CD1-CH2 3.94Å; I11-W13 HydrophobicContact CD1-CZ2 4.02Å; I11-W13 HydrophobicContact CG2-CD2 3.78Å; I11-W13 HydrophobicContact CG2-CE3 3.87Å; I11-W13 HydrophobicContact CG2-CG 4.28Å; I11-W13 HydrophobicContact CG2-CH2 4.34Å; I11-W13 HydrophobicContact CG2-CZ2 4.25Å; I11-W13 HydrophobicContact CG2-CZ3 4.15Å; I11-W13 PolarHBondContact O-N 3.37Å; I11-V21 HydrophobicContact CD1-CB 4.49Å; I11-V21 HydrophobicContact CD1-CG1 3.79Å; I11-V21 HydrophobicContact CD1-CG2 4.07Å
12K90.5Very high81.9Confident117 Ų117103.5 Ų103.551%0.50951%0.514SS..  trans-93.485.2173.2-61.8-163.2179.5-166.20109.3E14 E15 E16K12-E14 PolarHBondContact O-N 3.01Å; K12-E14 VanDerWaalsContact O-N 3.11Å; K12-E15 HydrophobicContact CB-CB 4.03Å; K12-E15 HydrophobicContact CB-CG 4.36Å; K12-E15 HydrophobicContact CD-CB 4.33Å; K12-E15 HydrophobicContact CD-CG 4.23Å; K12-E15 WeakPolarHBondContact CD-OE1 3.02Å; K12-E15 WeakPolarHBondContact CD-OE2 3.36Å; K12-E15 WeakPolarHBondContact CE-OE2 3.38Å; K12-E15 VanDerWaalsContact NZ-CD 3.27Å; K12-E15 IonicContact NZ-OE1 3.76Å; K12-E15 PolarHBondContact NZ-OE1 3.11Å; K12-E15 IonicContact NZ-OE2 3.04Å; K12-E15 PolarHBondContact NZ-OE2 3.19Å; K12-E15 PolarHBondContact O-N 2.82Å; K12-E16 HydrophobicContact CB-CG 4.45Å; K12-E16 PolarHBondContact O-N 3.34Å
13W91.6Very high84.1Confident13 Ų1397.3 Ų97.35%0.04948%0.476CS..THydrogen-bonded Turntrans-53.6-34.4-169.8-61.9104.9000114.6L9 I11 L23 V59 I82 P85 V86 I93L9-W13 HydrophobicContact CD1-CH2 4.43Å; L9-W13 HydrophobicContact CD1-CZ2 3.96Å; I11-W13 HydrophobicContact CB-CD2 4.39Å; I11-W13 HydrophobicContact CB-CZ2 4.21Å; I11-W13 HydrophobicContact CD1-CH2 3.94Å; I11-W13 HydrophobicContact CD1-CZ2 4.02Å; I11-W13 HydrophobicContact CG2-CD2 3.78Å; I11-W13 HydrophobicContact CG2-CE3 3.87Å; I11-W13 HydrophobicContact CG2-CG 4.28Å; I11-W13 HydrophobicContact CG2-CH2 4.34Å; I11-W13 HydrophobicContact CG2-CZ2 4.25Å; I11-W13 HydrophobicContact CG2-CZ3 4.15Å; I11-W13 PolarHBondContact O-N 3.37Å; W13-L23 HydrophobicContact CH2-CD1 4.11Å; W13-V59 HydrophobicContact CZ2-CB 4.48Å; W13-V59 HydrophobicContact CZ2-CG1 4.19Å; W13-V59 HydrophobicContact CZ2-CG2 4.15Å; W13-I82 HydrophobicContact CE3-CG2 4.43Å; W13-I82 HydrophobicContact CH2-CD1 4.36Å; W13-I82 HydrophobicContact CZ3-CB 4.42Å; W13-I82 HydrophobicContact CZ3-CD1 4.39Å; W13-I82 HydrophobicContact CZ3-CG2 3.84Å; W13-P85 CarbonylContact O-C 3.58Å; W13-P85 VanDerWaalsContact O-CA 3.23Å; W13-P85 WeakPolarHBondContact O-CA 3.22Å; W13-V86 CarbonylContact C-O 3.59Å; W13-V86 HydrophobicContact CB-CB 4.46Å; W13-V86 WeakPolarHBondContact CB-O 3.42Å; W13-V86 HydrophobicContact CE3-CB 4.42Å; W13-V86 PolarHBondContact O-N 3.36Å; W13-I93 HydrophobicContact CD2-CG2 3.7Å; W13-I93 HydrophobicContact CE3-CG2 4.37Å; W13-I93 HydrophobicContact CG-CG2 3.77Å; W13-I93 HydrophobicContact CH2-CD1 3.91Å; W13-I93 HydrophobicContact CZ2-CD1 4.02Å; W13-I93 HydrophobicContact CZ2-CG2 4.2Å; W13-I93 HydrophobicContact CZ3-CD1 4.2Å
14E90.1Very high86Confident111 Ų11191.6 Ų91.652%0.51945%0.452SS..THydrogen-bonded Turntrans-92.2-26.7-176.5-67.9169.9-16400113.9K12 V86 S88K12-E14 PolarHBondContact O-N 3.01Å; K12-E14 VanDerWaalsContact O-N 3.11Å; E14-V86 WeakPolarHBondContact CG-O 3.49Å; E14-S88 PolarHBondContact OE1-N 3.21Å; E14-S88 VanDerWaalsContact OE1-O 3.08Å; E14-S88 PolarHBondContact OE1-OG 3.37Å; E14-S88 VanDerWaalsContact OE1-OG 3.06Å
15E88.6Confident87.7Confident136 Ų13685.7 Ų85.764%0.63642%0.416SS*.THydrogen-bonded Turntrans-85.1-30.8-174.6-65.2-177.9-153.400112.4K12 R17K12-E15 HydrophobicContact CB-CB 4.03Å; K12-E15 HydrophobicContact CB-CG 4.36Å; K12-E15 HydrophobicContact CD-CB 4.33Å; K12-E15 HydrophobicContact CD-CG 4.23Å; K12-E15 WeakPolarHBondContact CD-OE1 3.02Å; K12-E15 WeakPolarHBondContact CD-OE2 3.36Å; K12-E15 WeakPolarHBondContact CE-OE2 3.38Å; K12-E15 VanDerWaalsContact NZ-CD 3.27Å; K12-E15 IonicContact NZ-OE1 3.76Å; K12-E15 PolarHBondContact NZ-OE1 3.11Å; K12-E15 IonicContact NZ-OE2 3.04Å; K12-E15 PolarHBondContact NZ-OE2 3.19Å; K12-E15 PolarHBondContact O-N 2.82Å; E15-R17 PolarHBondContact O-N 3.37Å
16E87Confident89Confident50 Ų5081.3 Ų81.323%0.23440%0.395CS..  trans-84.6106.5-174.6-64.3-174.7140.200111.4K12 R19 C84K12-E16 HydrophobicContact CB-CG 4.45Å; K12-E16 PolarHBondContact O-N 3.34Å; E16-R19 HydrophobicContact CB-CB 4.02Å; E16-R19 VanDerWaalsContact CD-CD 3.41Å; E16-R19 IonicContact OE1-CZ 2.72Å; E16-R19 IonicContact OE1-NH1 3.51Å; E16-R19 PolarHBondContact OE1-NH1 2.96Å; E16-R19 WeakPolarHBondContact OE2-CD 3.26Å; E16-R19 IonicContact OE2-CZ 3.48Å; E16-R19 IonicContact OE2-NE 3.66Å; E16-R19 PolarHBondContact OE2-NE 3.12Å; E16-R19 IonicContact OE2-NH1 2.7Å; E16-C84 HydrophobicContact CB-CB 4.34Å; E16-C84 CarbonylContact O-C 3.48Å; E16-C84 WeakPolarHBondContact O-CB 3.27Å
17R88.4Confident90.2Very high219 Ų21983.8 Ų83.883%0.82640%0.399SS*.SBendtrans-80.3135.8176.2-65.7-171.4-177.3-175.41.2111.8E15 R19E15-R17 PolarHBondContact O-N 3.37Å; R17-R19 PolarHBondContact O-N 3.43Å
18E87Confident91Very high178 Ų17881.2 Ų81.283%0.83238%0.381SS*.SBendtrans59.68.5174.2-58.6-178.7175.600115.3S20 C84E18-S20 PolarHBondContact O-N 3.18Å; E18-C84 WeakPolarHBondContact CA-O 2.83Å; E18-C84 PolarHBondContact N-O 2.91Å
19R93.6Very high91.4Very high125 Ų12579.6 Ų79.647%0.47237%0.368SS..  trans-71.7128.9175.1-172.5-171.2179.8132.3-0.7109.7E16 R17 V21 C84E16-R19 HydrophobicContact CB-CB 4.02Å; E16-R19 VanDerWaalsContact CD-CD 3.41Å; E16-R19 IonicContact OE1-CZ 2.72Å; E16-R19 IonicContact OE1-NH1 3.51Å; E16-R19 PolarHBondContact OE1-NH1 2.96Å; E16-R19 WeakPolarHBondContact OE2-CD 3.26Å; E16-R19 IonicContact OE2-CZ 3.48Å; E16-R19 IonicContact OE2-NE 3.66Å; E16-R19 PolarHBondContact OE2-NE 3.12Å; E16-R19 IonicContact OE2-NH1 2.7Å; R17-R19 PolarHBondContact O-N 3.43Å; R19-V21 HydrophobicContact CG-CG2 4.39Å; R19-C84 HydrophobicContact CB-CB 4.28Å; R19-C84 WeakPolarHBondContact O-CB 3.47Å; R19-C84 PolarHBondContact O-N 2.99Å
20S93.9Very high91.8Very high59 Ų5979.7 Ų79.741%0.41337%0.369SS..EExtended strand (participates in β ladder)trans-103134173.2-161.60000111.7E18 R81 I82E18-S20 PolarHBondContact O-N 3.18Å; S20-R81 WeakPolarHBondContact OG-CD 2.95Å; S20-R81 WeakPolarHBondContact OG-CG 3.47Å; S20-I82 CarbonylContact C-O 3.49Å; S20-I82 WeakPolarHBondContact CA-O 3.31Å; S20-I82 PolarHBondContact OG-O 3.47Å
21V94.8Very high92.1Very high19 Ų1977.2 Ų77.212%0.11535%0.348CS..EExtended strand (participates in β ladder)trans-125.9136.6179.8-177.60000108.5I11 R19 L23 R81 I82I11-V21 HydrophobicContact CD1-CB 4.49Å; I11-V21 HydrophobicContact CD1-CG1 3.79Å; I11-V21 HydrophobicContact CD1-CG2 4.07Å; R19-V21 HydrophobicContact CG-CG2 4.39Å; V21-L23 HydrophobicContact CG1-CD2 4.05Å; V21-L23 HydrophobicContact CG1-CG 4.15Å; V21-R81 WeakPolarHBondContact O-CA 2.93Å; V21-I82 PolarHBondContact N-O 2.96Å; V21-I82 PolarHBondContact O-N 2.91Å
22V95.8Very high92.3Very high73 Ų7380.7 Ų80.744%0.44237%0.366SS..EExtended strand (participates in β ladder)trans-109.2122.6176.4178.70000109.4K79 V80 R81 L103V22-K79 HydrophobicContact CG1-CB 4.13Å; V22-K79 HydrophobicContact CG1-CD 4.3Å; V22-V80 CarbonylContact C-O 3.58Å; V22-V80 VanDerWaalsContact CA-O 3.3Å; V22-V80 WeakPolarHBondContact CA-O 3.5Å; V22-R81 HydrophobicContact CG2-CB 4.46Å; V22-R81 HydrophobicContact CG2-CG 4.41Å; V22-L103 HydrophobicContact CB-CD1 4.39Å; V22-L103 HydrophobicContact CG1-CD1 3.8Å; V22-L103 HydrophobicContact CG2-CD1 3.64Å
23L96.4Very high92.1Very high3 Ų377.6 Ų77.62%0.01635%0.354CS..EExtended strand (participates in β ladder)trans-120157177.9-62-178.2000111.4L9 W13 V21 L52 D54 V59 K79 V80 I82L9-L23 HydrophobicContact CD1-CD1 3.76Å; L9-L23 HydrophobicContact CD1-CD2 3.93Å; W13-L23 HydrophobicContact CH2-CD1 4.11Å; V21-L23 HydrophobicContact CG1-CD2 4.05Å; V21-L23 HydrophobicContact CG1-CG 4.15Å; L23-L52 HydrophobicContact CB-CB 4.12Å; L23-L52 HydrophobicContact CB-CD2 4.43Å; L23-L52 HydrophobicContact CD1-CB 3.89Å; L23-L52 HydrophobicContact CD1-CD1 4.1Å; L23-D54 HydrophobicContact CD2-CB 3.97Å; L23-V59 HydrophobicContact CD1-CG1 3.52Å; L23-K79 CarbonylContact O-C 3.55Å; L23-K79 WeakPolarHBondContact O-CA 3.23Å; L23-V80 HydrophobicContact CB-CG2 4.25Å; L23-V80 PolarHBondContact N-O 3.29Å; L23-V80 WeakPolarHBondContact O-CG2 3.46Å; L23-V80 PolarHBondContact O-N 2.71Å; L23-I82 HydrophobicContact CD1-CD1 3.88Å; L23-I82 HydrophobicContact CG-CD1 4.43Å
24Q95.7Very high91.8Very high72 Ų7280.6 Ų80.634%0.33638%0.375SS..EExtended strand (participates in β ladder)trans-95.5133.3174.8174.2169.5-3300111.1K26 L52 T53 S78 K79Q24-K26 PolarHBondContact O-N 3.48Å; Q24-L52 CarbonylContact O-C 3.59Å; Q24-L52 VanDerWaalsContact O-CA 3.31Å; Q24-L52 WeakPolarHBondContact O-CA 3.41Å; Q24-T53 HydrophobicContact CB-CG2 4.12Å; Q24-T53 WeakPolarHBondContact CB-O 3.45Å; Q24-T53 HydrophobicContact CG-CG2 4.45Å; Q24-T53 PolarHBondContact N-O 2.97Å; Q24-T53 PolarHBondContact O-N 3.14Å; Q24-S78 WeakPolarHBondContact CA-O 3.28Å; Q24-K79 HydrophobicContact CB-CD 4.16Å
25V95.9Very high91.3Very high1 Ų183 Ų831%0.00638%0.384CS..EExtended strand (participates in β ladder)trans-72.1117.3169.1179.90000109.4I28 I50 L52 L70 G77 S78 V80V25-I28 HydrophobicContact CG1-CD1 3.9Å; V25-I28 HydrophobicContact CG1-CG1 3.62Å; V25-I50 HydrophobicContact CG1-CG2 4.34Å; V25-I50 HydrophobicContact CG2-CG2 4.38Å; V25-L52 HydrophobicContact CG2-CD2 3.92Å; V25-L70 HydrophobicContact CG2-CD1 4.3Å; V25-G77 PolarHBondContact O-N 3.26Å; V25-S78 PolarHBondContact N-O 3.31Å; V25-V80 HydrophobicContact CG2-CG1 3.79Å; V25-V80 HydrophobicContact CG2-CG2 4.46Å
26K95.1Very high90.7Very high83 Ų8386.2 Ų86.236%0.36140%0.396SS..EExtended strand (participates in β ladder)trans-82.8-47.6168.4-66.3-17765.8-176.10110.7Q24 D51 T53 E58 P76Q24-K26 PolarHBondContact O-N 3.48Å; K26-D51 HydrophobicContact CB-CB 4.26Å; K26-D51 WeakPolarHBondContact CB-O 3.44Å; K26-D51 PolarHBondContact N-O 3.18Å; K26-T53 HydrophobicContact CD-CG2 3.71Å; K26-T53 HydrophobicContact CG-CG2 3.47Å; K26-T53 VanDerWaalsContact CG-CG2 3.47Å; K26-E58 WeakPolarHBondContact CD-OE2 3.3Å; K26-E58 IonicContact NZ-OE1 3.86Å; K26-E58 PolarHBondContact NZ-OE1 2.85Å; K26-E58 IonicContact NZ-OE2 2.55Å; K26-E58 PolarHBondContact NZ-OE2 3.33Å; K26-P76 WeakPolarHBondContact O-CB 3.31Å
27R93.1Very high89.8Confident160 Ų16088.3 Ų88.360%0.60441%0.407SS*.EExtended strand (participates in β ladder)trans-158.9146.6-174.7-174.1177.6-179.3172.24.6111D51R27-D51 PolarHBondContact O-N 2.81Å
28I94Very high88.4Confident20 Ų2084.4 Ų84.410%0.10341%0.408CS..EExtended strand (participates in β ladder)trans-119.8137.6169.8-57.2-170000109.3V25 Y48 R49 I50 L70 N71 T74V25-I28 HydrophobicContact CG1-CD1 3.9Å; V25-I28 HydrophobicContact CG1-CG1 3.62Å; I28-Y48 HydrophobicContact CG2-CD1 3.87Å; I28-Y48 HydrophobicContact CG2-CG 4.1Å; I28-R49 WeakPolarHBondContact CA-O 3.49Å; I28-I50 HydrophobicContact CD1-CD1 4.17Å; I28-I50 HydrophobicContact CD1-CG1 4.24Å; I28-I50 HydrophobicContact CD1-CG2 4.31Å; I28-I50 HydrophobicContact CG1-CB 4.48Å; I28-I50 HydrophobicContact CG1-CG1 4.14Å; I28-I50 HydrophobicContact CG1-CG2 4.07Å; I28-I50 HydrophobicContact CG2-CG1 4.27Å; I28-L70 HydrophobicContact CD1-CD1 3.63Å; I28-L70 HydrophobicContact CD1-CG 4.14Å; I28-N71 WeakPolarHBondContact CD1-O 3.14Å; I28-T74 HydrophobicContact CD1-CG2 4.39Å
29R91.6Very high87Confident74 Ų7479.2 Ų79.228%0.27940%0.402SS..EExtended strand (participates in β ladder)trans-139134.1174.9175.9178.7173.8-137.3-10.7110.6I31 Q33 K35 Y48 R49R29-I31 PolarHBondContact O-N 3.16Å; R29-Q33 PolarHBondContact NH2-O 2.9Å; R29-K35 VanDerWaalsContact CZ-CG 3.5Å; R29-Y48 CarbonylContact O-C 3.55Å; R29-Y48 WeakPolarHBondContact O-CA 3.16Å; R29-R49 PolarHBondContact N-O 3.18Å; R29-R49 PolarHBondContact O-N 2.83Å
30N92.2Very high85Confident11 Ų1183.1 Ų83.16%0.05942%0.423CS..EExtended strand (participates in β ladder)trans-73.3112163.6-169.7-8000109.6L32 Q33 Y47 Y48N30-L32 VanDerWaalsContact C-N 3.31Å; N30-L32 WeakPolarHBondContact OD1-CB 3.04Å; N30-L32 PolarHBondContact OD1-N 3.23Å; N30-L32 VanDerWaalsContact OD1-N 3.14Å; N30-Q33 HydrophobicContact CB-CB 4.4Å; N30-Q33 HydrophobicContact CB-CG 4.33Å; N30-Q33 PolarHBondContact O-N 2.74Å; N30-Y47 CarbonylContact C-O 3.43Å; N30-Y47 WeakPolarHBondContact CA-O 3.38Å; N30-Y47 PolarHBondContact OD1-N 2.81Å; N30-Y47 PolarHBondContact OD1-O 2.79Å; N30-Y48 HydrophobicContact CB-CD1 4Å; N30-Y48 HydrophobicContact CB-CE1 3.83Å
31I92.3Very high83.2Confident71 Ų7182.5 Ų82.536%0.36443%0.425SS..THydrogen-bonded Turntrans-76.2-20-179.163.7168.6000112.7R29 Q33 Y47 R49R29-I31 PolarHBondContact O-N 3.16Å; I31-Q33 PolarHBondContact O-N 2.9Å; I31-Y47 HydrophobicContact CD1-CD1 3.27Å; I31-Y47 HydrophobicContact CD1-CE1 3.75Å; I31-Y47 HydrophobicContact CD1-CG 3.9Å; I31-Y47 HydrophobicContact CG1-CD1 3.6Å; I31-Y47 HydrophobicContact CG1-CG 3.99Å; I31-Y47 VanDerWaalsContact CG1-O 3.32Å; I31-Y47 WeakPolarHBondContact CG1-O 3.26Å; I31-Y47 PolarHBondContact N-O 2.93Å; I31-R49 HydrophobicContact CG2-CB 3.47Å; I31-R49 VanDerWaalsContact CG2-CB 3.47Å
32L90.1Very high81.6Confident99 Ų9990.8 Ų90.852%0.51845%0.454SS..THydrogen-bonded Turntrans-69.2-16.5173.4-56.8-176.5000112.2N30 K45 F46N30-L32 VanDerWaalsContact C-N 3.31Å; N30-L32 WeakPolarHBondContact OD1-CB 3.04Å; N30-L32 PolarHBondContact OD1-N 3.23Å; N30-L32 VanDerWaalsContact OD1-N 3.14Å; L32-K45 HydrophobicContact CD1-CB 4.13Å; L32-F46 VanDerWaalsContact CD1-C 3.42Å
33Q86.6Confident80.2Confident52 Ų5289.8 Ų89.824%0.24345%0.451CS..SBendtrans-100135.9179.9-68.8-178.5-33.200111.7R29 N30 I31 G41R29-Q33 PolarHBondContact NH2-O 2.9Å; N30-Q33 HydrophobicContact CB-CB 4.4Å; N30-Q33 HydrophobicContact CB-CG 4.33Å; N30-Q33 PolarHBondContact O-N 2.74Å; I31-Q33 PolarHBondContact O-N 2.9Å; Q33-G41 PolarHBondContact NE2-O 2.55Å
34P85.3Confident79.2Confident76 Ų7695.2 Ų95.249%0.49449%0.489SS..  trans-66.1142.6174.528.8-34.4000110.1K36 I37P34-K36 PolarHBondContact O-N 2.91Å; P34-I37 HydrophobicContact CG-CB 4.36Å; P34-I37 HydrophobicContact CG-CD1 3.46Å; P34-I37 VanDerWaalsContact CG-CD1 3.46Å; P34-I37 HydrophobicContact CG-CG1 3.82Å; P34-I37 PolarHBondContact O-N 3.26Å; P34-I37 VanDerWaalsContact O-N 3.08Å
35K80.5Confident78.8Confident163 Ų16399.5 Ų99.571%0.70951%0.507SS*.THydrogen-bonded Turntrans-54.7-25.3-174.9-69.3-176.5178178.10114.6R29R29-K35 VanDerWaalsContact CZ-CG 3.5Å
36K75.1Confident78.5Confident203 Ų203101.7 Ų101.788%0.88352%0.516SS*.THydrogen-bonded Turntrans-79.2-16.2-176-63.3-175.5178.9-176.60113.4P34 T38P34-K36 PolarHBondContact O-N 2.91Å; K36-T38 PolarHBondContact O-N 2.72Å
37I67.7Low78.5Confident93 Ų93100.5 Ų100.548%0.47751%0.51SS..  trans-98.888.4-178.2-57.4177.7000108.2P34P34-I37 HydrophobicContact CG-CB 4.36Å; P34-I37 HydrophobicContact CG-CD1 3.46Å; P34-I37 VanDerWaalsContact CG-CD1 3.46Å; P34-I37 HydrophobicContact CG-CG1 3.82Å; P34-I37 PolarHBondContact O-N 3.26Å; P34-I37 VanDerWaalsContact O-N 3.08Å
38T59.1Low78.6Confident137 Ų13794.1 Ų94.184%0.8449%0.486SS*.SBendtrans-93.1-6.5-179.7-53.20000113.3K36K36-T38 PolarHBondContact O-N 2.72Å
39G57.3Low78.7Confident69 Ų6998 Ų9871%0.71150%0.499SS*.SBendtrans-158.514.7-165.900000121.1
40K51.8Low78.9Confident208 Ų20894.5 Ų94.590%0.90449%0.486SS*.SBendtrans-131.716.5-173.7-69.3-169.1179.4-178.10117.9
41G57.4Low79.1Confident45 Ų4595.5 Ų95.546%0.46449%0.492SS..  trans-172.8111.4170.200000111.4Q33 S43Q33-G41 PolarHBondContact NE2-O 2.55Å; G41-S43 VanDerWaalsContact C-N 3.3Å; G41-S43 PolarHBondContact O-N 2.93Å
42R60.1Low79.3Confident193 Ų19392.1 Ų92.173%0.72847%0.474SS*.  trans-67.598.1164-167.4172.8-175.6104.2-3.2105.9S44 D73R42-S44 PolarHBondContact O-N 2.77Å; R42-D73 IonicContact NH1-OD2 2.71Å; R42-D73 PolarHBondContact NH1-OD2 2.87Å
43S66.4Low79.6Confident53 Ų5388 Ų8837%0.37145%0.453SS..  trans-62.5128.7169.6171.90000107.5G41 K45G41-S43 VanDerWaalsContact C-N 3.3Å; G41-S43 PolarHBondContact O-N 2.93Å; S43-K45 VanDerWaalsContact CB-O 3.31Å; S43-K45 WeakPolarHBondContact CB-O 3.17Å; S43-K45 PolarHBondContact O-N 2.83Å; S43-K45 PolarHBondContact OG-N 2.85Å; S43-K45 PolarHBondContact OG-O 2.85Å
44S75.9Confident79.9Confident117 Ų11789.5 Ų89.582%0.81846%0.463SS*.SBendtrans-58.8-34.3173.7179.70000110.9R42R42-S44 PolarHBondContact O-N 2.77Å
45K86.9Confident80.2Confident162 Ų16289 Ų8970%0.70447%0.472SS*.  trans-85135.2173.4-60-172.9180-174.30110.8L32 S43L32-K45 HydrophobicContact CD1-CB 4.13Å; S43-K45 VanDerWaalsContact CB-O 3.31Å; S43-K45 WeakPolarHBondContact CB-O 3.17Å; S43-K45 PolarHBondContact O-N 2.83Å; S43-K45 PolarHBondContact OG-N 2.85Å; S43-K45 PolarHBondContact OG-O 2.85Å
46F90.2Very high80.7Confident47 Ų4789.7 Ų89.721%0.20648%0.475CS..  trans-135.7155.1174.361.3-90.8000110L32 Y48 D64 P66L32-F46 VanDerWaalsContact CD1-C 3.42Å; F46-Y48 HydrophobicContact CB-CD2 4.32Å; F46-Y48 HydrophobicContact CB-CE1 4.1Å; F46-Y48 HydrophobicContact CB-CE2 3.77Å; F46-Y48 HydrophobicContact CD1-CE2 4.3Å; F46-Y48 AromaticContact CD2-CD2 3.39Å; F46-Y48 HydrophobicContact CD2-CD2 3.39Å; F46-Y48 AromaticContact CD2-CE2 3.25Å; F46-Y48 HydrophobicContact CD2-CE2 3.25Å; F46-Y48 HydrophobicContact CD2-CG 4.29Å; F46-Y48 HydrophobicContact CE2-CD2 4.01Å; F46-Y48 AromaticContact CE2-CE2 3.91Å; F46-Y48 HydrophobicContact CE2-CE2 3.91Å; F46-Y48 HydrophobicContact CG-CD2 4.07Å; F46-Y48 AromaticContact CG-CE2 3.49Å; F46-Y48 HydrophobicContact CG-CE2 3.49Å; F46-Y48 VanDerWaalsContact CG-CE2 3.49Å; F46-Y48 AromaticContact CG-CZ 3.86Å; F46-D64 WeakPolarHBondContact CE2-O 3.39Å; F46-P66 HydrophobicContact CE1-CB 4.21Å; F46-P66 HydrophobicContact CZ-CB 3.71Å; F46-P66 HydrophobicContact CZ-CG 4.25Å
47Y94.6Very high81.5Confident58 Ų5880.6 Ų80.623%0.22744%0.437CS..  trans-141.7113.7158.6-165.9-66.6000104N30 I31 L62 V63 D64N30-Y47 CarbonylContact C-O 3.43Å; N30-Y47 WeakPolarHBondContact CA-O 3.38Å; N30-Y47 PolarHBondContact OD1-N 2.81Å; N30-Y47 PolarHBondContact OD1-O 2.79Å; I31-Y47 HydrophobicContact CD1-CD1 3.27Å; I31-Y47 HydrophobicContact CD1-CE1 3.75Å; I31-Y47 HydrophobicContact CD1-CG 3.9Å; I31-Y47 HydrophobicContact CG1-CD1 3.6Å; I31-Y47 HydrophobicContact CG1-CG 3.99Å; I31-Y47 VanDerWaalsContact CG1-O 3.32Å; I31-Y47 WeakPolarHBondContact CG1-O 3.26Å; I31-Y47 PolarHBondContact N-O 2.93Å; Y47-L62 HydrophobicContact CE1-CB 3.81Å; Y47-L62 HydrophobicContact CE1-CD1 4.39Å; Y47-L62 HydrophobicContact CE1-CD2 3.97Å; Y47-L62 HydrophobicContact CE1-CG 4.24Å; Y47-V63 CarbonylContact C-O 3.56Å; Y47-D64 HydrophobicContact CD2-CB 3.89Å; Y47-D64 HydrophobicContact CE2-CB 3.85Å
48Y95.2Very high82.7Confident25 Ų2577.9 Ų77.910%0.09842%0.422CS..EExtended strand (participates in β ladder)trans-94.6131.9-175.8-63.5-61.5000110.5I28 R29 N30 F46 L62 V63 N71 A72I28-Y48 HydrophobicContact CG2-CD1 3.87Å; I28-Y48 HydrophobicContact CG2-CG 4.1Å; R29-Y48 CarbonylContact O-C 3.55Å; R29-Y48 WeakPolarHBondContact O-CA 3.16Å; N30-Y48 HydrophobicContact CB-CD1 4Å; N30-Y48 HydrophobicContact CB-CE1 3.83Å; F46-Y48 HydrophobicContact CB-CD2 4.32Å; F46-Y48 HydrophobicContact CB-CE1 4.1Å; F46-Y48 HydrophobicContact CB-CE2 3.77Å; F46-Y48 HydrophobicContact CD1-CE2 4.3Å; F46-Y48 AromaticContact CD2-CD2 3.39Å; F46-Y48 HydrophobicContact CD2-CD2 3.39Å; F46-Y48 AromaticContact CD2-CE2 3.25Å; F46-Y48 HydrophobicContact CD2-CE2 3.25Å; F46-Y48 HydrophobicContact CD2-CG 4.29Å; F46-Y48 HydrophobicContact CE2-CD2 4.01Å; F46-Y48 AromaticContact CE2-CE2 3.91Å; F46-Y48 HydrophobicContact CE2-CE2 3.91Å; F46-Y48 HydrophobicContact CG-CD2 4.07Å; F46-Y48 AromaticContact CG-CE2 3.49Å; F46-Y48 HydrophobicContact CG-CE2 3.49Å; F46-Y48 VanDerWaalsContact CG-CE2 3.49Å; F46-Y48 AromaticContact CG-CZ 3.86Å; Y48-L62 WeakPolarHBondContact O-CA 3.38Å; Y48-V63 PolarHBondContact N-O 3.06Å; Y48-V63 PolarHBondContact O-N 2.8Å; Y48-N71 HydrophobicContact CE2-CB 4.46Å; Y48-A72 HydrophobicContact CE1-CB 4.04Å
49R95.8Very high84.5Confident101 Ų10171.4 Ų71.438%0.38138%0.382SS..EExtended strand (participates in β ladder)trans-93.4127157.9173.1-179.3161.8162.51.1107.9I28 R29 I31 D51 V60 L62I28-R49 WeakPolarHBondContact CA-O 3.49Å; R29-R49 PolarHBondContact N-O 3.18Å; R29-R49 PolarHBondContact O-N 2.83Å; I31-R49 HydrophobicContact CG2-CB 3.47Å; I31-R49 VanDerWaalsContact CG2-CB 3.47Å; R49-D51 IonicContact CZ-OD1 2.85Å; R49-D51 VanDerWaalsContact CZ-OD1 3.28Å; R49-D51 IonicContact NE-OD1 3.17Å; R49-D51 PolarHBondContact NE-OD1 3.01Å; R49-D51 IonicContact NE-OD2 3.28Å; R49-D51 IonicContact NH2-OD1 2.81Å; R49-D51 PolarHBondContact NH2-OD1 3.36Å; R49-D51 IonicContact NH2-OD2 3.98Å; R49-V60 HydrophobicContact CG-CG1 3.6Å; R49-L62 HydrophobicContact CB-CD2 4.5Å
50I96.7Very high86.4Confident2 Ų268.9 Ų68.91%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-120113.4-179.5-53.6-174.7000107.4V25 I28 L52 V60 G61 V63 L70V25-I50 HydrophobicContact CG1-CG2 4.34Å; V25-I50 HydrophobicContact CG2-CG2 4.38Å; I28-I50 HydrophobicContact CD1-CD1 4.17Å; I28-I50 HydrophobicContact CD1-CG1 4.24Å; I28-I50 HydrophobicContact CD1-CG2 4.31Å; I28-I50 HydrophobicContact CG1-CB 4.48Å; I28-I50 HydrophobicContact CG1-CG1 4.14Å; I28-I50 HydrophobicContact CG1-CG2 4.07Å; I28-I50 HydrophobicContact CG2-CG1 4.27Å; I50-L52 HydrophobicContact CG2-CD1 4.5Å; I50-L52 HydrophobicContact CG2-CD2 3.54Å; I50-L52 HydrophobicContact CG2-CG 3.81Å; I50-V60 CarbonylContact O-C 3.53Å; I50-V60 WeakPolarHBondContact O-CA 3.44Å; I50-G61 PolarHBondContact N-O 3Å; I50-G61 PolarHBondContact O-N 2.84Å; I50-V63 HydrophobicContact CD1-CB 4.39Å; I50-V63 HydrophobicContact CD1-CG2 3.54Å; I50-V63 HydrophobicContact CG1-CG2 4.37Å; I50-L70 HydrophobicContact CD1-CD1 4.19Å; I50-L70 HydrophobicContact CD1-CD2 3.44Å; I50-L70 VanDerWaalsContact CD1-CD2 3.44Å; I50-L70 HydrophobicContact CD1-CG 3.75Å
51D96.4Very high88.5Confident32 Ų3259 Ų5917%0.17131%0.31CS..EExtended strand (participates in β ladder)trans-83.8117.6173.7-57.5-40.3000107.9K26 R27 R49K26-D51 HydrophobicContact CB-CB 4.26Å; K26-D51 WeakPolarHBondContact CB-O 3.44Å; K26-D51 PolarHBondContact N-O 3.18Å; R27-D51 PolarHBondContact O-N 2.81Å; R49-D51 IonicContact CZ-OD1 2.85Å; R49-D51 VanDerWaalsContact CZ-OD1 3.28Å; R49-D51 IonicContact NE-OD1 3.17Å; R49-D51 PolarHBondContact NE-OD1 3.01Å; R49-D51 IonicContact NE-OD2 3.28Å; R49-D51 IonicContact NH2-OD1 2.81Å; R49-D51 PolarHBondContact NH2-OD1 3.36Å; R49-D51 IonicContact NH2-OD2 3.98Å
52L96.9Very high90.4Very high0 Ų058 Ų580%029%0.294CS..EExtended strand (participates in β ladder)trans-115.1146.8-175.3-63.9174.5000111L23 Q24 V25 I50 E58 V59 V80 I82 I93 L95L23-L52 HydrophobicContact CB-CB 4.12Å; L23-L52 HydrophobicContact CB-CD2 4.43Å; L23-L52 HydrophobicContact CD1-CB 3.89Å; L23-L52 HydrophobicContact CD1-CD1 4.1Å; Q24-L52 CarbonylContact O-C 3.59Å; Q24-L52 VanDerWaalsContact O-CA 3.31Å; Q24-L52 WeakPolarHBondContact O-CA 3.41Å; V25-L52 HydrophobicContact CG2-CD2 3.92Å; I50-L52 HydrophobicContact CG2-CD1 4.5Å; I50-L52 HydrophobicContact CG2-CD2 3.54Å; I50-L52 HydrophobicContact CG2-CG 3.81Å; L52-E58 CarbonylContact O-C 3.6Å; L52-E58 VanDerWaalsContact O-CA 3.26Å; L52-E58 WeakPolarHBondContact O-CA 3.38Å; L52-V59 HydrophobicContact CB-CG1 3.78Å; L52-V59 WeakPolarHBondContact CB-O 3.33Å; L52-V59 HydrophobicContact CD1-CG1 4.32Å; L52-V59 PolarHBondContact N-O 2.97Å; L52-V59 PolarHBondContact O-N 2.79Å; L52-V80 HydrophobicContact CD1-CG2 4.27Å; L52-V80 HydrophobicContact CD2-CG2 3.54Å; L52-I82 HydrophobicContact CD1-CD1 3.83Å; L52-I93 HydrophobicContact CD1-CD1 4.3Å; L52-L95 HydrophobicContact CD1-CD1 3.95Å
53T95.5Very high92.1Very high12 Ų1248.8 Ų48.87%0.07426%0.259CS..EExtended strand (participates in β ladder)trans-145.8150.1179.6-172.70000112.6Q24 K26 G55 S57Q24-T53 HydrophobicContact CB-CG2 4.12Å; Q24-T53 WeakPolarHBondContact CB-O 3.45Å; Q24-T53 HydrophobicContact CG-CG2 4.45Å; Q24-T53 PolarHBondContact N-O 2.97Å; Q24-T53 PolarHBondContact O-N 3.14Å; K26-T53 HydrophobicContact CD-CG2 3.71Å; K26-T53 HydrophobicContact CG-CG2 3.47Å; K26-T53 VanDerWaalsContact CG-CG2 3.47Å; T53-G55 PolarHBondContact OG1-N 3.08Å; T53-S57 VanDerWaalsContact CA-O 3.3Å; T53-S57 WeakPolarHBondContact CA-O 3.33Å; T53-S57 WeakPolarHBondContact CB-O 3.42Å; T53-S57 PolarHBondContact OG1-O 2.93Å
54D93.6Very high93.4Very high83 Ų8351 Ų5144%0.44427%0.267SS..SBendtrans-94.5-0.3165.573.5-18000112.5L9 L23 K56 S57L9-D54 HydrophobicContact CD2-CB 3.96Å; L9-D54 WeakPolarHBondContact CD2-OD2 3.43Å; L23-D54 HydrophobicContact CD2-CB 3.97Å; D54-K56 PolarHBondContact OD1-N 3.43Å; D54-S57 PolarHBondContact N-O 2.81Å; D54-S57 PolarHBondContact OD1-N 2.96Å
55G91.7Very high94.3Very high67 Ų6747.7 Ų47.769%0.69124%0.242SC*.SBendtrans98.2-10.1-175.300000114.7T53T53-G55 PolarHBondContact OG1-N 3.08Å
56K90.6Very high94.5Very high177 Ų17743.6 Ų43.677%0.7723%0.232SC*.SBendtrans-120.1-43.6175-65.7179.9-178.5177.40111.7P7 D54P7-K56 WeakPolarHBondContact CG-O 3.37Å; D54-K56 PolarHBondContact OD1-N 3.43Å
57S92.4Very high94.6Very high11 Ų1141.9 Ų41.98%0.07723%0.225CC..  trans-120.3162.2-174.9-68.90000111P7 I8 T53 D54P7-S57 WeakPolarHBondContact O-CA 3.32Å; P7-S57 WeakPolarHBondContact O-CB 3.4Å; P7-S57 PolarHBondContact O-OG 2.79Å; I8-S57 PolarHBondContact O-OG 3.16Å; T53-S57 VanDerWaalsContact CA-O 3.3Å; T53-S57 WeakPolarHBondContact CA-O 3.33Å; T53-S57 WeakPolarHBondContact CB-O 3.42Å; T53-S57 PolarHBondContact OG1-O 2.93Å; D54-S57 PolarHBondContact N-O 2.81Å; D54-S57 PolarHBondContact OD1-N 2.96Å
58E93.5Very high94.4Very high36 Ų3650.4 Ų50.417%0.16826%0.256CS..EExtended strand (participates in β ladder)trans-132.3145.2-176.7-57.9-166.7-16500111.7P7 K26 L52 N91P7-E58 PolarHBondContact O-N 2.78Å; K26-E58 WeakPolarHBondContact CD-OE2 3.3Å; K26-E58 IonicContact NZ-OE1 3.86Å; K26-E58 PolarHBondContact NZ-OE1 2.85Å; K26-E58 IonicContact NZ-OE2 2.55Å; K26-E58 PolarHBondContact NZ-OE2 3.33Å; L52-E58 CarbonylContact O-C 3.6Å; L52-E58 VanDerWaalsContact O-CA 3.26Å; L52-E58 WeakPolarHBondContact O-CA 3.38Å; E58-N91 PolarHBondContact O-ND2 3.44Å; E58-N91 PolarHBondContact O-OD1 2.82Å; E58-N91 VanDerWaalsContact O-OD1 3.12Å
59V95.7Very high94.1Very high1 Ų150.9 Ų50.91%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-137.7148.9173.568.10000109.4L9 W13 L23 L52 N91 I93L9-V59 HydrophobicContact CD1-CB 3.82Å; L9-V59 HydrophobicContact CD1-CG1 3.54Å; W13-V59 HydrophobicContact CZ2-CB 4.48Å; W13-V59 HydrophobicContact CZ2-CG1 4.19Å; W13-V59 HydrophobicContact CZ2-CG2 4.15Å; L23-V59 HydrophobicContact CD1-CG1 3.52Å; L52-V59 HydrophobicContact CB-CG1 3.78Å; L52-V59 WeakPolarHBondContact CB-O 3.33Å; L52-V59 HydrophobicContact CD1-CG1 4.32Å; L52-V59 PolarHBondContact N-O 2.97Å; L52-V59 PolarHBondContact O-N 2.79Å; V59-N91 WeakPolarHBondContact CG2-O 3.3Å; V59-I93 HydrophobicContact CG1-CD1 3.95Å; V59-I93 HydrophobicContact CG2-CD1 3.94Å; V59-I93 HydrophobicContact CG2-CG1 4.04Å; V59-I93 HydrophobicContact CG2-CG2 3.86Å
60V96.6Very high93.9Very high17 Ų1746.3 Ų46.310%0.10325%0.252CS..EExtended strand (participates in β ladder)trans-103.5114.3179.5-176.80000110R49 I50 L62 N91 F92 I93R49-V60 HydrophobicContact CG-CG1 3.6Å; I50-V60 CarbonylContact O-C 3.53Å; I50-V60 WeakPolarHBondContact O-CA 3.44Å; V60-L62 HydrophobicContact CG1-CD2 4.25Å; V60-N91 PolarHBondContact N-O 2.89Å; V60-F92 HydrophobicContact CB-CD1 3.61Å; V60-F92 HydrophobicContact CB-CE1 3.78Å; V60-F92 HydrophobicContact CB-CG 4.47Å; V60-F92 HydrophobicContact CG1-CD1 3.61Å; V60-F92 HydrophobicContact CG1-CE1 3.63Å; V60-F92 HydrophobicContact CG2-CD1 4.49Å; V60-F92 HydrophobicContact CG2-CE1 4.23Å; V60-F92 CarbonylContact O-C 3.58Å; V60-F92 VanDerWaalsContact O-CA 3.26Å; V60-F92 WeakPolarHBondContact O-CA 3.48Å; V60-I93 PolarHBondContact O-N 2.84Å
61G97.1Very high93.5Very high0 Ų048.1 Ų48.10%026%0.262CS..EExtended strand (participates in β ladder)trans-82.2135.5169.900000111.9I50 I93I50-G61 PolarHBondContact N-O 3Å; I50-G61 PolarHBondContact O-N 2.84Å; G61-I93 CarbonylContact C-O 3.57Å; G61-I93 WeakPolarHBondContact CA-O 3.45Å
62L97.3Very high93.1Very high23 Ų2349.2 Ų49.212%0.1228%0.275CS..EExtended strand (participates in β ladder)trans-112.4128.1172.4-61.3-178.9000109.1Y47 Y48 R49 V60 F92 I93 F94 L95Y47-L62 HydrophobicContact CE1-CB 3.81Å; Y47-L62 HydrophobicContact CE1-CD1 4.39Å; Y47-L62 HydrophobicContact CE1-CD2 3.97Å; Y47-L62 HydrophobicContact CE1-CG 4.24Å; Y48-L62 WeakPolarHBondContact O-CA 3.38Å; R49-L62 HydrophobicContact CB-CD2 4.5Å; V60-L62 HydrophobicContact CG1-CD2 4.25Å; L62-F92 HydrophobicContact CD1-CB 4.25Å; L62-F92 HydrophobicContact CD1-CD1 4.02Å; L62-F92 HydrophobicContact CD1-CG 4.42Å; L62-F92 HydrophobicContact CD2-CD1 4.13Å; L62-F92 HydrophobicContact CG-CD1 4.1Å; L62-I93 PolarHBondContact N-O 3.38Å; L62-F94 HydrophobicContact CB-CD1 4.12Å; L62-F94 HydrophobicContact CB-CE1 4.31Å; L62-F94 HydrophobicContact CD1-CD1 4.42Å; L62-F94 HydrophobicContact CD1-CE1 3.84Å; L62-F94 HydrophobicContact CD1-CZ 4.2Å; L62-L95 PolarHBondContact O-N 3.05Å
63V96.2Very high92.6Very high1 Ų154.6 Ų54.61%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-130.8115.9-176.7175.60000109.6Y47 Y48 I50 T65 I67 L70 L95Y47-V63 CarbonylContact C-O 3.56Å; Y48-V63 PolarHBondContact N-O 3.06Å; Y48-V63 PolarHBondContact O-N 2.8Å; I50-V63 HydrophobicContact CD1-CB 4.39Å; I50-V63 HydrophobicContact CD1-CG2 3.54Å; I50-V63 HydrophobicContact CG1-CG2 4.37Å; V63-T65 WeakPolarHBondContact CG1-O 3.49Å; V63-I67 HydrophobicContact CG1-CD1 3.84Å; V63-I67 HydrophobicContact CG1-CG1 4.28Å; V63-I67 HydrophobicContact CG2-CD1 3.82Å; V63-L70 HydrophobicContact CG2-CD2 4.47Å; V63-L95 HydrophobicContact CG2-CB 3.63Å; V63-L95 HydrophobicContact CG2-CD1 4.38Å
64D93.7Very high92.3Very high98 Ų9854.7 Ų54.752%0.52430%0.304SS..  trans-106.7-19.9174.268.7-20.8000112.7F46 Y47F46-D64 WeakPolarHBondContact CE2-O 3.39Å; Y47-D64 HydrophobicContact CD2-CB 3.89Å; Y47-D64 HydrophobicContact CE2-CB 3.85Å
65T93.1Very high92.2Very high49 Ų4954.7 Ų54.730%0.30131%0.309SS..SBendtrans-101.8147.8176.260.20000112V63 I67V63-T65 WeakPolarHBondContact CG1-O 3.49Å; T65-I67 PolarHBondContact O-N 3.31Å; T65-I67 VanDerWaalsContact O-N 3.14Å
66P91.8Very high92.3Very high75 Ų7556.3 Ų56.349%0.48731%0.308SS..  trans-77.4107.6-172.226.4-31.4000111.6F46 K97F46-P66 HydrophobicContact CE1-CB 4.21Å; F46-P66 HydrophobicContact CZ-CB 3.71Å; F46-P66 HydrophobicContact CZ-CG 4.25Å; P66-K97 WeakPolarHBondContact O-CE 3.41Å
67I93.3Very high92.4Very high12 Ų1249.3 Ų49.36%0.06229%0.285CS..  trans-86.6137.8174.9-62.2162.2000110V63 T65 G69 L70 L95 K97 T100V63-I67 HydrophobicContact CG1-CD1 3.84Å; V63-I67 HydrophobicContact CG1-CG1 4.28Å; V63-I67 HydrophobicContact CG2-CD1 3.82Å; T65-I67 PolarHBondContact O-N 3.31Å; T65-I67 VanDerWaalsContact O-N 3.14Å; I67-G69 PolarHBondContact O-N 2.89Å; I67-L70 HydrophobicContact CB-CB 4Å; I67-L70 HydrophobicContact CB-CD2 4.24Å; I67-L70 HydrophobicContact CD1-CD2 3.91Å; I67-L70 HydrophobicContact CG2-CB 3.96Å; I67-L70 HydrophobicContact CG2-CD2 4.2Å; I67-L70 PolarHBondContact O-N 2.77Å; I67-L95 HydrophobicContact CD1-CB 4.31Å; I67-K97 HydrophobicContact CG1-CG 4.34Å; I67-T100 HydrophobicContact CD1-CG2 4.07Å
68R90.4Very high92.5Very high236 Ų23650 Ų5089%0.89129%0.29SS*.THydrogen-bonded Turntrans-58.1123-177.7-177.7-179.7177.5-176.9-1.7110.6L70R68-L70 PolarHBondContact O-N 2.67Å
69G88.2Confident92.5Very high35 Ų3552.1 Ų52.136%0.36130%0.299SS..THydrogen-bonded Turntrans76.8-12.4176.800000115.4I67 T74 L102I67-G69 PolarHBondContact O-N 2.89Å; G69-T74 PolarHBondContact O-OG1 3.4Å; G69-L102 WeakPolarHBondContact O-CD2 3.48Å
70L91.1Very high92.5Very high5 Ų552.1 Ų52.13%0.02630%0.299CS..  trans-97.1103.6-178.1-166.169.3000110.1V25 I28 I50 V63 I67 R68 T74 V80 T100 L102V25-L70 HydrophobicContact CG2-CD1 4.3Å; I28-L70 HydrophobicContact CD1-CD1 3.63Å; I28-L70 HydrophobicContact CD1-CG 4.14Å; I50-L70 HydrophobicContact CD1-CD1 4.19Å; I50-L70 HydrophobicContact CD1-CD2 3.44Å; I50-L70 VanDerWaalsContact CD1-CD2 3.44Å; I50-L70 HydrophobicContact CD1-CG 3.75Å; V63-L70 HydrophobicContact CG2-CD2 4.47Å; I67-L70 HydrophobicContact CB-CB 4Å; I67-L70 HydrophobicContact CB-CD2 4.24Å; I67-L70 HydrophobicContact CD1-CD2 3.91Å; I67-L70 HydrophobicContact CG2-CB 3.96Å; I67-L70 HydrophobicContact CG2-CD2 4.2Å; I67-L70 PolarHBondContact O-N 2.77Å; R68-L70 PolarHBondContact O-N 2.67Å; L70-T74 WeakPolarHBondContact CA-OG1 3.41Å; L70-T74 HydrophobicContact CD1-CG2 4.38Å; L70-V80 HydrophobicContact CD1-CG1 3.84Å; L70-T100 HydrophobicContact CD2-CG2 4.24Å; L70-L102 HydrophobicContact CD1-CD1 4.26Å
71N89.5Confident92.5Very high41 Ų4155.8 Ų55.822%0.21931%0.311CS..SBendtrans-155.5-176.6-177.261.233.4000111I28 Y48 D73 T74I28-N71 WeakPolarHBondContact CD1-O 3.14Å; Y48-N71 HydrophobicContact CE2-CB 4.46Å; N71-D73 PolarHBondContact O-N 2.84Å; N71-D73 VanDerWaalsContact O-N 3.1Å; N71-D73 WeakPolarHBondContact OD1-CA 3.32Å; N71-D73 VanDerWaalsContact OD1-CB 3.31Å; N71-D73 WeakPolarHBondContact OD1-CB 3.47Å; N71-D73 PolarHBondContact OD1-N 2.93Å; N71-T74 PolarHBondContact N-OG1 2.91Å; N71-T74 WeakPolarHBondContact O-CB 3.49Å; N71-T74 PolarHBondContact O-N 2.86Å; N71-T74 VanDerWaalsContact O-N 3.08Å; N71-T74 PolarHBondContact O-OG1 2.89Å; N71-T74 VanDerWaalsContact O-OG1 3.05Å; N71-T74 PolarHBondContact OD1-N 2.93Å
72A87.5Confident92.5Very high55 Ų5555.8 Ų55.846%0.45531%0.311SS..THydrogen-bonded Turntrans-61.1-18.517900000114.6Y48Y48-A72 HydrophobicContact CE1-CB 4.04Å
73D85.9Confident92.4Very high113 Ų11356.9 Ų56.960%0.60432%0.319SS*.THydrogen-bonded Turntrans-91.2-7.2179.7-52.6-50.2000112.1R42 N71R42-D73 IonicContact NH1-OD2 2.71Å; R42-D73 PolarHBondContact NH1-OD2 2.87Å; N71-D73 PolarHBondContact O-N 2.84Å; N71-D73 VanDerWaalsContact O-N 3.1Å; N71-D73 WeakPolarHBondContact OD1-CA 3.32Å; N71-D73 VanDerWaalsContact OD1-CB 3.31Å; N71-D73 WeakPolarHBondContact OD1-CB 3.47Å; N71-D73 PolarHBondContact OD1-N 2.93Å
74T90Very high92.4Very high13 Ų1357 Ų578%0.0832%0.319CS..SBendtrans-63.2124.5177.2-53.60000110.1I28 G69 L70 N71 S78 L102I28-T74 HydrophobicContact CD1-CG2 4.39Å; G69-T74 PolarHBondContact O-OG1 3.4Å; L70-T74 WeakPolarHBondContact CA-OG1 3.41Å; L70-T74 HydrophobicContact CD1-CG2 4.38Å; N71-T74 PolarHBondContact N-OG1 2.91Å; N71-T74 WeakPolarHBondContact O-CB 3.49Å; N71-T74 PolarHBondContact O-N 2.86Å; N71-T74 VanDerWaalsContact O-N 3.08Å; N71-T74 PolarHBondContact O-OG1 2.89Å; N71-T74 VanDerWaalsContact O-OG1 3.05Å; N71-T74 PolarHBondContact OD1-N 2.93Å; T74-S78 WeakPolarHBondContact CG2-OG 3.4Å; T74-L102 HydrophobicContact CG2-CD1 4.24Å
75P91.1Very high92.5Very high84 Ų8456 Ų5655%0.54532%0.318SS..PPolyproline II helixtrans-68.2144.5-176.825.7-32.8000111.5S78P75-S78 VanDerWaalsContact O-CB 3.28Å; P75-S78 WeakPolarHBondContact O-CB 3.49Å; P75-S78 PolarHBondContact O-N 3.14Å; P75-S78 PolarHBondContact O-OG 2.74Å
76P92.5Very high92.6Very high101 Ų10153.9 Ų53.966%0.65631%0.305SS*.THydrogen-bonded Turntrans-53.4144.5166.7-24.834.8000111.3K26 S78K26-P76 WeakPolarHBondContact O-CB 3.31Å; P76-S78 VanDerWaalsContact C-N 3.32Å
77G93.4Very high92.8Very high29 Ų2956.9 Ų56.930%0.29931%0.313SS..THydrogen-bonded Turntrans95.2-18.9-176.700000114.4V25 K79V25-G77 PolarHBondContact O-N 3.26Å; G77-K79 PolarHBondContact O-NZ 3.33Å
78S93.7Very high92.8Very high25 Ų2558 Ų5818%0.17532%0.321CS..  trans-48.9142171.4-69.10000111.7Q24 V25 T74 P75 P76Q24-S78 WeakPolarHBondContact CA-O 3.28Å; V25-S78 PolarHBondContact N-O 3.31Å; T74-S78 WeakPolarHBondContact CG2-OG 3.4Å; P75-S78 VanDerWaalsContact O-CB 3.28Å; P75-S78 WeakPolarHBondContact O-CB 3.49Å; P75-S78 PolarHBondContact O-N 3.14Å; P75-S78 PolarHBondContact O-OG 2.74Å; P76-S78 VanDerWaalsContact C-N 3.32Å
79K95.3Very high93Very high81 Ų8153.7 Ų53.735%0.35231%0.311SS..EExtended strand (participates in β ladder)trans-103.4134.5-179.2-63.7-67.9-176.6-840109.6V22 L23 Q24 G77 L102 L103V22-K79 HydrophobicContact CG1-CB 4.13Å; V22-K79 HydrophobicContact CG1-CD 4.3Å; L23-K79 CarbonylContact O-C 3.55Å; L23-K79 WeakPolarHBondContact O-CA 3.23Å; Q24-K79 HydrophobicContact CB-CD 4.16Å; G77-K79 PolarHBondContact O-NZ 3.33Å; K79-L102 WeakPolarHBondContact O-CD1 3.28Å; K79-L103 HydrophobicContact CB-CB 4.1Å; K79-L103 WeakPolarHBondContact O-CA 3.33Å; K79-L103 WeakPolarHBondContact O-CB 3.49Å; K79-L103 PolarHBondContact O-N 3.22Å
80V95.5Very high93Very high1 Ų155.4 Ų55.41%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-119.4136.6175.3-66.80000109V22 L23 V25 L52 L70 T100 M101 L102V22-V80 CarbonylContact C-O 3.58Å; V22-V80 VanDerWaalsContact CA-O 3.3Å; V22-V80 WeakPolarHBondContact CA-O 3.5Å; L23-V80 HydrophobicContact CB-CG2 4.25Å; L23-V80 PolarHBondContact N-O 3.29Å; L23-V80 WeakPolarHBondContact O-CG2 3.46Å; L23-V80 PolarHBondContact O-N 2.71Å; V25-V80 HydrophobicContact CG2-CG1 3.79Å; V25-V80 HydrophobicContact CG2-CG2 4.46Å; L52-V80 HydrophobicContact CD1-CG2 4.27Å; L52-V80 HydrophobicContact CD2-CG2 3.54Å; L70-V80 HydrophobicContact CD1-CG1 3.84Å; V80-T100 HydrophobicContact CB-CG2 4.49Å; V80-M101 WeakPolarHBondContact CA-O 3.26Å; V80-L102 HydrophobicContact CG1-CD1 3.88Å
81R96Very high93.1Very high94 Ų9457.1 Ų57.136%0.35534%0.339SS..EExtended strand (participates in β ladder)trans-96128.2170.1-173178.771.9170.82108.3S20 V21 V22 T100 M101 L103S20-R81 WeakPolarHBondContact OG-CD 2.95Å; S20-R81 WeakPolarHBondContact OG-CG 3.47Å; V21-R81 WeakPolarHBondContact O-CA 2.93Å; V22-R81 HydrophobicContact CG2-CB 4.46Å; V22-R81 HydrophobicContact CG2-CG 4.41Å; R81-T100 WeakPolarHBondContact O-CA 3.31Å; R81-M101 PolarHBondContact N-O 3.29Å; R81-M101 PolarHBondContact O-N 3.33Å; R81-L103 HydrophobicContact CB-CD1 3.89Å; R81-L103 HydrophobicContact CB-CD2 3.74Å; R81-L103 HydrophobicContact CB-CG 3.7Å
82I96.7Very high93.3Very high0 Ų059.5 Ų59.50%035%0.347CS..EExtended strand (participates in β ladder)trans-114.6129.9175.5-58.8169.9000107W13 S20 V21 L23 L52 V86 I93 L95 N99W13-I82 HydrophobicContact CE3-CG2 4.43Å; W13-I82 HydrophobicContact CH2-CD1 4.36Å; W13-I82 HydrophobicContact CZ3-CB 4.42Å; W13-I82 HydrophobicContact CZ3-CD1 4.39Å; W13-I82 HydrophobicContact CZ3-CG2 3.84Å; S20-I82 CarbonylContact C-O 3.49Å; S20-I82 WeakPolarHBondContact CA-O 3.31Å; S20-I82 PolarHBondContact OG-O 3.47Å; V21-I82 PolarHBondContact N-O 2.96Å; V21-I82 PolarHBondContact O-N 2.91Å; L23-I82 HydrophobicContact CD1-CD1 3.88Å; L23-I82 HydrophobicContact CG-CD1 4.43Å; L52-I82 HydrophobicContact CD1-CD1 3.83Å; I82-V86 HydrophobicContact CG2-CG2 3.6Å; I82-I93 HydrophobicContact CD1-CD1 3.8Å; I82-L95 HydrophobicContact CD1-CD2 3.99Å; I82-L95 HydrophobicContact CG1-CD2 4.13Å; I82-L95 HydrophobicContact CG2-CD2 4.17Å; I82-N99 CarbonylContact C-O 3.57Å; I82-N99 WeakPolarHBondContact CA-O 3.37Å
83T96.5Very high93.7Very high47 Ų4756.9 Ų56.929%0.28833%0.325SS..EExtended strand (participates in β ladder)trans-109.3120.9178.1-550000108.4V86 N99T83-V86 VanDerWaalsContact O-CG2 3.3Å; T83-V86 WeakPolarHBondContact O-CG2 3.3Å; T83-N99 PolarHBondContact N-O 2.96Å
84C95.8Very high94.3Very high3 Ų354.9 Ų54.92%0.0231%0.311CS..SBendtrans-80.3151177-540000110.3E16 E18 R19E16-C84 HydrophobicContact CB-CB 4.34Å; E16-C84 CarbonylContact O-C 3.48Å; E16-C84 WeakPolarHBondContact O-CB 3.27Å; E18-C84 WeakPolarHBondContact CA-O 2.83Å; E18-C84 PolarHBondContact N-O 2.91Å; R19-C84 HydrophobicContact CB-CB 4.28Å; R19-C84 WeakPolarHBondContact O-CB 3.47Å; R19-C84 PolarHBondContact O-N 2.99Å
85P95.5Very high94.6Very high78 Ų7854.3 Ų54.351%0.50631%0.308SS..  cis-77.3148.26.932-35.3000113.5W13W13-P85 CarbonylContact O-C 3.58Å; W13-P85 VanDerWaalsContact O-CA 3.23Å; W13-P85 WeakPolarHBondContact O-CA 3.22Å
86V95.4Very high94.8Very high3 Ų352.8 Ų52.82%0.01830%0.295CS..  trans-130.7133174.5-179.90000109W13 E14 I82 T83 S88 I93 F94 L95 N99W13-V86 CarbonylContact C-O 3.59Å; W13-V86 HydrophobicContact CB-CB 4.46Å; W13-V86 WeakPolarHBondContact CB-O 3.42Å; W13-V86 HydrophobicContact CE3-CB 4.42Å; W13-V86 PolarHBondContact O-N 3.36Å; E14-V86 WeakPolarHBondContact CG-O 3.49Å; I82-V86 HydrophobicContact CG2-CG2 3.6Å; T83-V86 VanDerWaalsContact O-CG2 3.3Å; T83-V86 WeakPolarHBondContact O-CG2 3.3Å; V86-S88 PolarHBondContact O-N 2.85Å; V86-I93 HydrophobicContact CG1-CB 4.09Å; V86-F94 WeakPolarHBondContact CG1-O 2.99Å; V86-L95 HydrophobicContact CG1-CD2 4.37Å; V86-N99 HydrophobicContact CG2-CB 3.92Å
87E95.5Very high94.9Very high139 Ų13954.6 Ų54.665%0.6529%0.293SS*.  trans-60.6132.5174.2-65-180177.800110.2F94E87-F94 HydrophobicContact CB-CB 4.27Å; E87-F94 HydrophobicContact CB-CD2 3.98Å; E87-F94 PolarHBondContact O-N 2.8Å
88S94.1Very high94.9Very high35 Ų3558 Ų5825%0.24531%0.312CS..EExtended strand (participates in β ladder)trans-138.5143.3-174.565.20000112.3E14 V86 F92E14-S88 PolarHBondContact OE1-N 3.21Å; E14-S88 VanDerWaalsContact OE1-O 3.08Å; E14-S88 PolarHBondContact OE1-OG 3.37Å; E14-S88 VanDerWaalsContact OE1-OG 3.06Å; V86-S88 PolarHBondContact O-N 2.85Å; S88-F92 CarbonylContact C-O 3.56Å; S88-F92 VanDerWaalsContact CA-O 3.27Å; S88-F92 WeakPolarHBondContact CA-O 3.41Å
89E93.1Very high95Very high145 Ų14557.6 Ų57.668%0.67831%0.308SS*.EExtended strand (participates in β ladder)trans-135.9107.5172.4-168.1179.5174.400109.1N91 F92E89-N91 PolarHBondContact O-N 2.79Å; E89-F92 PolarHBondContact N-O 2.9Å; E89-F92 WeakPolarHBondContact O-CB 3.48Å; E89-F92 PolarHBondContact O-N 3.19Å
90G89.6Confident95Very high72 Ų7254 Ų5474%0.74229%0.293SS*.THydrogen-bonded Turntrans60.7-118.6-173.300000111.9
91N91.5Very high95Very high41 Ų4158.8 Ų58.822%0.21932%0.316CS..THydrogen-bonded Turntrans-98.917.6176.3-160.131.2000113.3E58 V59 V60 E89E58-N91 PolarHBondContact O-ND2 3.44Å; E58-N91 PolarHBondContact O-OD1 2.82Å; E58-N91 VanDerWaalsContact O-OD1 3.12Å; V59-N91 WeakPolarHBondContact CG2-O 3.3Å; V60-N91 PolarHBondContact N-O 2.89Å; E89-N91 PolarHBondContact O-N 2.79Å
92F94.9Very high94.9Very high90 Ų9055.5 Ų55.540%0.39531%0.306SS..EExtended strand (participates in β ladder)trans-106.3140.7175.6-62-88000110.4V60 L62 S88 E89V60-F92 HydrophobicContact CB-CD1 3.61Å; V60-F92 HydrophobicContact CB-CE1 3.78Å; V60-F92 HydrophobicContact CB-CG 4.47Å; V60-F92 HydrophobicContact CG1-CD1 3.61Å; V60-F92 HydrophobicContact CG1-CE1 3.63Å; V60-F92 HydrophobicContact CG2-CD1 4.49Å; V60-F92 HydrophobicContact CG2-CE1 4.23Å; V60-F92 CarbonylContact O-C 3.58Å; V60-F92 VanDerWaalsContact O-CA 3.26Å; V60-F92 WeakPolarHBondContact O-CA 3.48Å; L62-F92 HydrophobicContact CD1-CB 4.25Å; L62-F92 HydrophobicContact CD1-CD1 4.02Å; L62-F92 HydrophobicContact CD1-CG 4.42Å; L62-F92 HydrophobicContact CD2-CD1 4.13Å; L62-F92 HydrophobicContact CG-CD1 4.1Å; S88-F92 CarbonylContact C-O 3.56Å; S88-F92 VanDerWaalsContact CA-O 3.27Å; S88-F92 WeakPolarHBondContact CA-O 3.41Å; E89-F92 PolarHBondContact N-O 2.9Å; E89-F92 WeakPolarHBondContact O-CB 3.48Å; E89-F92 PolarHBondContact O-N 3.19Å
93I96.6Very high94.7Very high0 Ų058.6 Ų58.60%032%0.322CS..EExtended strand (participates in β ladder)trans-128.6140174.859.7-179.2000109.9W13 L52 V59 V60 G61 L62 I82 V86 L95W13-I93 HydrophobicContact CD2-CG2 3.7Å; W13-I93 HydrophobicContact CE3-CG2 4.37Å; W13-I93 HydrophobicContact CG-CG2 3.77Å; W13-I93 HydrophobicContact CH2-CD1 3.91Å; W13-I93 HydrophobicContact CZ2-CD1 4.02Å; W13-I93 HydrophobicContact CZ2-CG2 4.2Å; W13-I93 HydrophobicContact CZ3-CD1 4.2Å; L52-I93 HydrophobicContact CD1-CD1 4.3Å; V59-I93 HydrophobicContact CG1-CD1 3.95Å; V59-I93 HydrophobicContact CG2-CD1 3.94Å; V59-I93 HydrophobicContact CG2-CG1 4.04Å; V59-I93 HydrophobicContact CG2-CG2 3.86Å; V60-I93 PolarHBondContact O-N 2.84Å; G61-I93 CarbonylContact C-O 3.57Å; G61-I93 WeakPolarHBondContact CA-O 3.45Å; L62-I93 PolarHBondContact N-O 3.38Å; I82-I93 HydrophobicContact CD1-CD1 3.8Å; V86-I93 HydrophobicContact CG1-CB 4.09Å; I93-L95 HydrophobicContact CD1-CD2 3.78Å; I93-L95 HydrophobicContact CD1-CG 4.45Å; I93-L95 HydrophobicContact CG1-CD2 3.89Å; I93-L95 HydrophobicContact CG1-CG 4.19Å
94F97Very high93.7Very high71 Ų7163.3 Ų63.331%0.31134%0.341SS..EExtended strand (participates in β ladder)trans-93.3113.3-179.9-66.7-82.9000110.7L62 V86 E87 N99L62-F94 HydrophobicContact CB-CD1 4.12Å; L62-F94 HydrophobicContact CB-CE1 4.31Å; L62-F94 HydrophobicContact CD1-CD1 4.42Å; L62-F94 HydrophobicContact CD1-CE1 3.84Å; L62-F94 HydrophobicContact CD1-CZ 4.2Å; V86-F94 WeakPolarHBondContact CG1-O 2.99Å; E87-F94 HydrophobicContact CB-CB 4.27Å; E87-F94 HydrophobicContact CB-CD2 3.98Å; E87-F94 PolarHBondContact O-N 2.8Å; F94-N99 PolarHBondContact O-ND2 2.88Å
95L96.9Very high91.9Very high2 Ų267.3 Ų67.31%0.0137%0.368CS..  trans-105.5130.6-173.6-58.4-178.6000110.2L52 L62 V63 I67 I82 V86 I93 N99 T100L52-L95 HydrophobicContact CD1-CD1 3.95Å; L62-L95 PolarHBondContact O-N 3.05Å; V63-L95 HydrophobicContact CG2-CB 3.63Å; V63-L95 HydrophobicContact CG2-CD1 4.38Å; I67-L95 HydrophobicContact CD1-CB 4.31Å; I82-L95 HydrophobicContact CD1-CD2 3.99Å; I82-L95 HydrophobicContact CG1-CD2 4.13Å; I82-L95 HydrophobicContact CG2-CD2 4.17Å; V86-L95 HydrophobicContact CG1-CD2 4.37Å; I93-L95 HydrophobicContact CD1-CD2 3.78Å; I93-L95 HydrophobicContact CD1-CG 4.45Å; I93-L95 HydrophobicContact CG1-CD2 3.89Å; I93-L95 HydrophobicContact CG1-CG 4.19Å; L95-N99 WeakPolarHBondContact CA-OD1 2.7Å; L95-T100 WeakPolarHBondContact CB-OG1 3.44Å; L95-T100 HydrophobicContact CD1-CG2 4.46Å; L95-T100 VanDerWaalsContact CD2-OG1 3.28Å; L95-T100 WeakPolarHBondContact CD2-OG1 3.42Å
96D95.4Very high89.7Confident52 Ų5267 Ų6728%0.27837%0.373SS..  trans-134.1-175.3179.679.3-14.7000111.1S98 N99 T100D96-S98 PolarHBondContact O-N 2.79Å; D96-S98 WeakPolarHBondContact OD1-CA 3.49Å; D96-S98 PolarHBondContact OD1-N 2.89Å; D96-S98 PolarHBondContact OD1-OG 3.19Å; D96-S98 WeakPolarHBondContact OD2-CB 3.42Å; D96-S98 PolarHBondContact OD2-OG 3.18Å; D96-N99 PolarHBondContact N-OD1 3.19Å; D96-N99 PolarHBondContact O-OD1 3.08Å; D96-N99 WeakPolarHBondContact OD1-CB 3.36Å; D96-N99 PolarHBondContact OD1-N 3.18Å; D96-N99 PolarHBondContact OD1-ND2 3.1Å; D96-N99 PolarHBondContact OD1-OD1 3.17Å; D96-N99 VanDerWaalsContact OD1-OD1 3.06Å; D96-T100 VanDerWaalsContact O-CB 3.26Å; D96-T100 WeakPolarHBondContact O-CB 3.35Å; D96-T100 PolarHBondContact O-N 2.97Å
97K94.5Very high87.4Confident139 Ų13972.8 Ų72.860%0.60441%0.411SS*.THydrogen-bonded Turntrans-70.6-19.6177.8-65173.4178.61720113.6P66 I67P66-K97 WeakPolarHBondContact O-CE 3.41Å; I67-K97 HydrophobicContact CG1-CG 4.34Å
98S94.3Very high85.2Confident100 Ų10070.9 Ų70.970%0.69941%0.405SS*.THydrogen-bonded Turntrans-84.8-37.4-175.976.10000111.3D96D96-S98 PolarHBondContact O-N 2.79Å; D96-S98 WeakPolarHBondContact OD1-CA 3.49Å; D96-S98 PolarHBondContact OD1-N 2.89Å; D96-S98 PolarHBondContact OD1-OG 3.19Å; D96-S98 WeakPolarHBondContact OD2-CB 3.42Å; D96-S98 PolarHBondContact OD2-OG 3.18Å
99N94.9Very high83Confident16 Ų1679 Ų799%0.08644%0.436CS..THydrogen-bonded Turntrans-100-20.5-177.369.925.5000113.6I82 T83 V86 F94 L95 D96I82-N99 CarbonylContact C-O 3.57Å; I82-N99 WeakPolarHBondContact CA-O 3.37Å; T83-N99 PolarHBondContact N-O 2.96Å; V86-N99 HydrophobicContact CG2-CB 3.92Å; F94-N99 PolarHBondContact O-ND2 2.88Å; L95-N99 WeakPolarHBondContact CA-OD1 2.7Å; D96-N99 PolarHBondContact N-OD1 3.19Å; D96-N99 PolarHBondContact O-OD1 3.08Å; D96-N99 WeakPolarHBondContact OD1-CB 3.36Å; D96-N99 PolarHBondContact OD1-N 3.18Å; D96-N99 PolarHBondContact OD1-ND2 3.1Å; D96-N99 PolarHBondContact OD1-OD1 3.17Å; D96-N99 VanDerWaalsContact OD1-OD1 3.06Å
100T96.1Very high81.1Confident7 Ų778 Ų784%0.04343%0.434CS..EExtended strand (participates in β ladder)trans-122.6134.3-172.4-59.20000113.3I67 L70 V80 R81 L95 D96I67-T100 HydrophobicContact CD1-CG2 4.07Å; L70-T100 HydrophobicContact CD2-CG2 4.24Å; V80-T100 HydrophobicContact CB-CG2 4.49Å; R81-T100 WeakPolarHBondContact O-CA 3.31Å; L95-T100 WeakPolarHBondContact CB-OG1 3.44Å; L95-T100 HydrophobicContact CD1-CG2 4.46Å; L95-T100 VanDerWaalsContact CD2-OG1 3.28Å; L95-T100 WeakPolarHBondContact CD2-OG1 3.42Å; D96-T100 VanDerWaalsContact O-CB 3.26Å; D96-T100 WeakPolarHBondContact O-CB 3.35Å; D96-T100 PolarHBondContact O-N 2.97Å
101M95Very high79.2Confident101 Ų10181.2 Ų81.250%0.49843%0.433SS..EExtended strand (participates in β ladder)trans-135.3127.6174.3-177.4176.8-71.800110.3V80 R81 L103V80-M101 WeakPolarHBondContact CA-O 3.26Å; R81-M101 PolarHBondContact N-O 3.29Å; R81-M101 PolarHBondContact O-N 3.33Å; M101-L103 PolarHBondContact O-N 3Å
102L94.5Very high77.2Confident25 Ų2586.3 Ų86.313%0.13145%0.454CS..EExtended strand (participates in β ladder)trans-65.9116.4167.9-176.970.1000108.8G69 L70 T74 K79 V80 E104G69-L102 WeakPolarHBondContact O-CD2 3.48Å; L70-L102 HydrophobicContact CD1-CD1 4.26Å; T74-L102 HydrophobicContact CG2-CD1 4.24Å; K79-L102 WeakPolarHBondContact O-CD1 3.28Å; V80-L102 HydrophobicContact CG1-CD1 3.88Å; L102-E104 HydrophobicContact CD2-CB 4.4Å; L102-E104 HydrophobicContact CG-CB 4.41Å; L102-E104 PolarHBondContact O-N 2.71Å
103L92.2Very high75.3Confident64 Ų6485.8 Ų85.834%0.33546%0.458SS..EExtended strand (participates in β ladder)trans-80.272.7169.9-61.3-175.9000108.1V22 K79 R81 M101 S105V22-L103 HydrophobicContact CB-CD1 4.39Å; V22-L103 HydrophobicContact CG1-CD1 3.8Å; V22-L103 HydrophobicContact CG2-CD1 3.64Å; K79-L103 HydrophobicContact CB-CB 4.1Å; K79-L103 WeakPolarHBondContact O-CA 3.33Å; K79-L103 WeakPolarHBondContact O-CB 3.49Å; K79-L103 PolarHBondContact O-N 3.22Å; R81-L103 HydrophobicContact CB-CD1 3.89Å; R81-L103 HydrophobicContact CB-CD2 3.74Å; R81-L103 HydrophobicContact CB-CG 3.7Å; M101-L103 PolarHBondContact O-N 3Å; L103-S105 PolarHBondContact O-N 2.79Å
104E74.1Confident73.1Confident147 Ų14789.5 Ų89.569%0.68748%0.484SS*.  trans-69.4114.2168.3-164162.7-154.800107.1L102 A106L102-E104 HydrophobicContact CD2-CB 4.4Å; L102-E104 HydrophobicContact CG-CB 4.41Å; L102-E104 PolarHBondContact O-N 2.71Å; E104-A106 PolarHBondContact O-N 2.73Å
105S58.6Low70.6Confident86 Ų8689.9 Ų89.960%0.60150%0.495SS*.  trans-57.7125165.267.10000106.1L103L103-S105 PolarHBondContact O-N 2.79Å
106A49.7Very low68.3Low73 Ų7395.3 Ų95.360%0.60352%0.521SS*.SBendtrans-21.9137.5-178.300000113.9E104 N108E104-A106 PolarHBondContact O-N 2.73Å; A106-N108 VanDerWaalsContact C-N 3.33Å; A106-N108 WeakPolarHBondContact O-CA 3.09Å; A106-N108 WeakPolarHBondContact O-CB 3.19Å; A106-N108 PolarHBondContact O-N 3.17Å
107P47.3Very low66Low124 Ų12494.8 Ų94.881%0.80552%0.52SS*.  trans-44.997.9-170.420.6-34.5000110.2K109P107-K109 PolarHBondContact O-N 3.15Å
108N48.5Very low63.9Low98 Ų9894.6 Ų94.652%0.52452%0.519SS..  trans-83.6104.2-161.2-130.6-13.6000105.6A106 L110A106-N108 VanDerWaalsContact C-N 3.33Å; A106-N108 WeakPolarHBondContact O-CA 3.09Å; A106-N108 WeakPolarHBondContact O-CB 3.19Å; A106-N108 PolarHBondContact O-N 3.17Å; N108-L110 WeakPolarHBondContact CB-O 3.47Å; N108-L110 CarbonylContact O-C 3.52Å; N108-L110 PolarHBondContact O-N 3.23Å
109K48Very low61.6Low207 Ų20795.6 Ų95.690%0.952%0.516SS*.SBendtrans-49.3-7.2157.8-93.7179.2172.8178.80112.8P107P107-K109 PolarHBondContact O-N 3.15Å
110L53.3Low59.5Low123 Ų12397.2 Ų97.264%0.64453%0.532SS*.  trans-112.392.3173.7-55.2169.7000105.9N108N108-L110 WeakPolarHBondContact CB-O 3.47Å; N108-L110 CarbonylContact O-C 3.52Å; N108-L110 PolarHBondContact O-N 3.23Å
111L50Low57.3Low139 Ų139101 Ų10173%0.72855%0.552SS**  -16377.985.3-74.8167.4000108.4T113L111-T113 PolarHBondContact O-N 3.1Å
112K48.9Very low55.2Low148 Ų148103.8 Ų103.864%0.64356%0.563SS**THydrogen-bonded Turntrans-65.877.5150.4-71.3-178-179.8178.20108Q116K112-Q116 HydrophobicContact CB-CG 4.3Å; K112-Q116 PolarHBondContact O-OE1 3.3Å
113T55.3Low53.1Low80 Ų80109.3 Ų109.349%0.49159%0.593SS.*THydrogen-bonded Turntrans-139.3-18.9161.457.50000112.9L111 T117L111-T113 PolarHBondContact O-N 3.1Å; T113-T117 WeakPolarHBondContact O-CB 3.35Å; T113-T117 WeakPolarHBondContact O-CG2 3.38Å; T113-T117 PolarHBondContact O-N 3.13Å; T113-T117 PolarHBondContact O-OG1 3.26Å
114S50.4Low51Low78 Ų78110.6 Ų110.655%0.54561%0.607SS.*Hα-helixtrans-79.2-46.2175.2-171.80000113T117 K118S114-T117 PolarHBondContact O-N 3.47Å; S114-T117 PolarHBondContact O-OG1 2.95Å; S114-K118 WeakPolarHBondContact O-CG 3.35Å; S114-K118 PolarHBondContact O-N 3.02Å
115S45.3Very low50Low78 Ų78110.9 Ų110.955%0.54561%0.609SS.*Hα-helixtrans-75.1-30.9174.846.50000113T117 K118 N119S115-T117 VanDerWaalsContact C-N 3.31Å; S115-K118 PolarHBondContact O-N 2.69Å; S115-N119 PolarHBondContact O-N 2.94Å
116Q49Very low49.7Very low116 Ų116116.3 Ų116.354%0.54262%0.616SS.*Hα-helixtrans-68.8-31.7169.7-77.2-176.6-4.600112K112 A120K112-Q116 HydrophobicContact CB-CG 4.3Å; K112-Q116 PolarHBondContact O-OE1 3.3Å; Q116-A120 VanDerWaalsContact O-CB 3.29Å; Q116-A120 WeakPolarHBondContact O-CB 3.2Å; Q116-A120 PolarHBondContact O-N 2.86Å; Q116-A120 VanDerWaalsContact O-N 3.1Å
117T47Very low49.8Very low42 Ų42116.2 Ų116.226%0.25861%0.608SS.*Hα-helixtrans-76.2-34.2170.254.70000112.5T113 S114 S115 N119 A120 L121 R135T113-T117 WeakPolarHBondContact O-CB 3.35Å; T113-T117 WeakPolarHBondContact O-CG2 3.38Å; T113-T117 PolarHBondContact O-N 3.13Å; T113-T117 PolarHBondContact O-OG1 3.26Å; S114-T117 PolarHBondContact O-N 3.47Å; S114-T117 PolarHBondContact O-OG1 2.95Å; S115-T117 VanDerWaalsContact C-N 3.31Å; T117-N119 VanDerWaalsContact C-N 3.33Å; T117-N119 PolarHBondContact O-N 3.24Å; T117-A120 CarbonylContact O-C 3.29Å; T117-A120 VanDerWaalsContact O-C 3.29Å; T117-A120 WeakPolarHBondContact O-CA 3.39Å; T117-A120 PolarHBondContact O-N 2.92Å; T117-L121 WeakPolarHBondContact O-CA 3.48Å; T117-L121 WeakPolarHBondContact O-CB 3.31Å; T117-L121 WeakPolarHBondContact O-CD1 3.2Å; T117-L121 WeakPolarHBondContact O-CG 3.19Å; T117-L121 PolarHBondContact O-N 3.29Å; T117-R135 VanDerWaalsContact CB-NH2 3.29Å
118K48.6Very low50.3Low135 Ų135120 Ų12059%0.58761%0.612SS**Hα-helixtrans-60.3-41.4175.3-65.7-111.6-173.8172.70112.6S114 S115 A120 L121 E122S114-K118 WeakPolarHBondContact O-CG 3.35Å; S114-K118 PolarHBondContact O-N 3.02Å; S115-K118 PolarHBondContact O-N 2.69Å; K118-A120 VanDerWaalsContact C-N 3.33Å; K118-L121 HydrophobicContact CB-CD1 4.41Å; K118-L121 HydrophobicContact CD-CD1 4.42Å; K118-L121 HydrophobicContact CG-CD1 4.13Å; K118-L121 WeakPolarHBondContact O-CB 3.45Å; K118-L121 PolarHBondContact O-N 3.39Å; K118-E122 PolarHBondContact O-N 2.99Å
119N47.8Very low50.7Low120 Ų120122.7 Ų122.764%0.64263%0.626SS**Hα-helixtrans-74.2-25.3174.3-64.7-5.5000112.4S115 T117S115-N119 PolarHBondContact O-N 2.94Å; T117-N119 VanDerWaalsContact C-N 3.33Å; T117-N119 PolarHBondContact O-N 3.24Å
120A49Very low51.2Low51 Ų51114.8 Ų114.842%0.42160%0.597SS.*Hα-helixtrans-81.6-17.116800000113.6Q116 T117 K118 S124Q116-A120 VanDerWaalsContact O-CB 3.29Å; Q116-A120 WeakPolarHBondContact O-CB 3.2Å; Q116-A120 PolarHBondContact O-N 2.86Å; Q116-A120 VanDerWaalsContact O-N 3.1Å; T117-A120 CarbonylContact O-C 3.29Å; T117-A120 VanDerWaalsContact O-C 3.29Å; T117-A120 WeakPolarHBondContact O-CA 3.39Å; T117-A120 PolarHBondContact O-N 2.92Å; K118-A120 VanDerWaalsContact C-N 3.33Å; A120-S124 WeakPolarHBondContact O-CB 3.37Å; A120-S124 PolarHBondContact O-N 3.09Å
121L50Low51.7Low87 Ų87117.1 Ų117.146%0.45561%0.61SS.*Hα-helixtrans-78.9-28.4-178-82.1159.3000110.3T117 K118T117-L121 WeakPolarHBondContact O-CA 3.48Å; T117-L121 WeakPolarHBondContact O-CB 3.31Å; T117-L121 WeakPolarHBondContact O-CD1 3.2Å; T117-L121 WeakPolarHBondContact O-CG 3.19Å; T117-L121 PolarHBondContact O-N 3.29Å; K118-L121 HydrophobicContact CB-CD1 4.41Å; K118-L121 HydrophobicContact CD-CD1 4.42Å; K118-L121 HydrophobicContact CG-CD1 4.13Å; K118-L121 WeakPolarHBondContact O-CB 3.45Å; K118-L121 PolarHBondContact O-N 3.39Å
122E50.9Low52.4Low159 Ų159119.9 Ų119.974%0.74361%0.611SS**Hα-helixtrans-78.3-34.9173.1-164.3168-169.700111.8K118K118-E122 PolarHBondContact O-N 2.99Å
123N50.4Low53.2Low141 Ų141116.1 Ų116.175%0.75460%0.601SS**Hα-helixtrans-93.9-15.8-178-71.1-11.1000114.9Q125N123-Q125 PolarHBondContact O-N 3.17Å; N123-Q125 VanDerWaalsContact O-N 3.1Å
124S49.2Very low53.8Low90 Ų90113.7 Ų113.763%0.62959%0.587SS**  trans-88.563173.3-173.50000109.3A120 W126A120-S124 WeakPolarHBondContact O-CB 3.37Å; A120-S124 PolarHBondContact O-N 3.09Å; S124-W126 PolarHBondContact O-N 3.05Å; S124-W126 VanDerWaalsContact O-N 3.08Å
125Q51.9Low54.5Low154 Ų154118.5 Ų118.572%0.7259%0.593SS**  trans-49.8120.9157.6-75.7178.6-11.700106.8N123 T127N123-Q125 PolarHBondContact O-N 3.17Å; N123-Q125 VanDerWaalsContact O-N 3.1Å; Q125-T127 PolarHBondContact O-N 2.82Å
126W53.8Low55.7Low200 Ų200124.7 Ų124.776%0.75861%0.605SS**  trans-61.790167176.829.5000106.7S124S124-W126 PolarHBondContact O-N 3.05Å; S124-W126 VanDerWaalsContact O-N 3.08Å
127T51.8Low56.7Low71 Ų71120.5 Ų120.544%0.43659%0.587SS.*  trans-75.3132.2167.660.70000105.9Q125 D129 S130Q125-T127 PolarHBondContact O-N 2.82Å; T127-D129 PolarHBondContact O-N 2.93Å; T127-S130 PolarHBondContact O-N 3.01Å; T127-S130 PolarHBondContact O-OG 3Å; T127-S130 VanDerWaalsContact O-OG 3.05Å
128K57.7Low58Low204 Ų204127 Ų12789%0.88761%0.607SS**THydrogen-bonded Turntrans-50.1-22.8174.1-75.1-177174.1-178.70112.5
129D56.6Low59.1Low154 Ų154131 Ų13182%0.82463%0.625SS**THydrogen-bonded Turntrans-86.1-11.3-178.3-67-22.4000115.1T127 N131T127-D129 PolarHBondContact O-N 2.93Å; D129-N131 PolarHBondContact O-N 2.69Å
130S57.4Low60.4Low40 Ų40129.5 Ų129.528%0.2864%0.637SS.*  trans-76.5111173.765.60000108.6T127 R132T127-S130 PolarHBondContact O-N 3.01Å; T127-S130 PolarHBondContact O-OG 3Å; T127-S130 VanDerWaalsContact O-OG 3.05Å; S130-R132 PolarHBondContact O-N 2.97Å
131N63.8Low61.6Low172 Ų172131.7 Ų131.792%0.9264%0.639SS**  trans-6833.7171.6-159.926.3000112.3D129D129-N131 PolarHBondContact O-N 2.69Å
132R65.8Low62.7Low198 Ų198131.8 Ų131.875%0.74765%0.652SS**PPolyproline II helixtrans-100.5133.6-178.8-66-171.4-179-154.40.8108.5S130S130-R132 PolarHBondContact O-N 2.97Å
133P64.7Low63.6Low68 Ų68128.5 Ų128.544%0.44264%0.639SS.*PPolyproline II helixtrans-66.5152179.128.8-34.7000110.8V137 L143P133-V137 HydrophobicContact CB-CB 3.99Å; P133-V137 HydrophobicContact CB-CG1 4.09Å; P133-V137 HydrophobicContact CB-CG2 4.14Å; P133-L143 HydrophobicContact CB-CD1 4.33Å; P133-L143 HydrophobicContact CB-CG 4.06Å
134P69Low64.5Low29 Ų29126.4 Ų126.419%0.18863%0.633CS.*PPolyproline II helixtrans-52.4150.5171.7-26.430.8000113W136 V137 L143P134-W136 HydrophobicContact CB-CD2 3.63Å; P134-W136 HydrophobicContact CB-CE3 3.9Å; P134-W136 HydrophobicContact CB-CG 4.35Å; P134-W136 HydrophobicContact CB-CH2 3.58Å; P134-W136 HydrophobicContact CB-CZ2 3.27Å; P134-W136 HydrophobicContact CB-CZ3 3.88Å; P134-W136 HydrophobicContact CG-CH2 4.15Å; P134-W136 HydrophobicContact CG-CZ2 3.64Å; P134-W136 PolarHBondContact O-N 3.29Å; P134-V137 HydrophobicContact CB-CG2 4.21Å; P134-V137 HydrophobicContact CG-CG2 4.4Å; P134-V137 VanDerWaalsContact O-CB 3.31Å; P134-V137 WeakPolarHBondContact O-CB 3.21Å; P134-V137 WeakPolarHBondContact O-CG2 3.39Å; P134-V137 PolarHBondContact O-N 3.35Å; P134-L143 HydrophobicContact CG-CD1 4.45Å
135R63.9Low65.7Low180 Ų180128.2 Ų128.268%0.67964%0.636SS**THydrogen-bonded Turntrans-63-15.8-171.9-137.1176.3-172.9-89.51.2115.3T117T117-R135 VanDerWaalsContact CB-NH2 3.29Å
136W71.3Confident66.7Low208 Ų208123.5 Ų123.579%0.78862%0.618SS**THydrogen-bonded Turntrans-88-8.8175.956.680000113.7P134P134-W136 HydrophobicContact CB-CD2 3.63Å; P134-W136 HydrophobicContact CB-CE3 3.9Å; P134-W136 HydrophobicContact CB-CG 4.35Å; P134-W136 HydrophobicContact CB-CH2 3.58Å; P134-W136 HydrophobicContact CB-CZ2 3.27Å; P134-W136 HydrophobicContact CB-CZ3 3.88Å; P134-W136 HydrophobicContact CG-CH2 4.15Å; P134-W136 HydrophobicContact CG-CZ2 3.64Å; P134-W136 PolarHBondContact O-N 3.29Å
137V70.8Confident67.8Low27 Ų27117.5 Ų117.516%0.16460%0.603CS.*SBendtrans-80134.5174.3-175.30000108.2P133 P134 E141 L143P133-V137 HydrophobicContact CB-CB 3.99Å; P133-V137 HydrophobicContact CB-CG1 4.09Å; P133-V137 HydrophobicContact CB-CG2 4.14Å; P134-V137 HydrophobicContact CB-CG2 4.21Å; P134-V137 HydrophobicContact CG-CG2 4.4Å; P134-V137 VanDerWaalsContact O-CB 3.31Å; P134-V137 WeakPolarHBondContact O-CB 3.21Å; P134-V137 WeakPolarHBondContact O-CG2 3.39Å; P134-V137 PolarHBondContact O-N 3.35Å; V137-E141 HydrophobicContact CG1-CB 3.96Å; V137-E141 WeakPolarHBondContact CG1-O 3.07Å; V137-L143 HydrophobicContact CG2-CD2 3.48Å; V137-L143 VanDerWaalsContact CG2-CD2 3.48Å; V137-L143 HydrophobicContact CG2-CG 4.36Å
138R72.7Confident69Low179 Ų179121.2 Ų121.268%0.67562%0.616SS**PPolyproline II helixtrans-70152.6-177.5-58173.7168.1173-1.7110.2G140 E141R138-G140 PolarHBondContact O-N 2.88Å; R138-E141 HydrophobicContact CB-CG 4.15Å; R138-E141 WeakPolarHBondContact CB-OE2 3.14Å; R138-E141 WeakPolarHBondContact CD-OE1 2.96Å; R138-E141 WeakPolarHBondContact O-CB 3.36Å; R138-E141 PolarHBondContact O-N 3.34Å; R138-E141 VanDerWaalsContact O-N 3.13Å
139F73.7Confident69.8Low220 Ų220117 Ų11797%0.96560%0.602SS**THydrogen-bonded Turntrans-60.3131.3176.3-71.1-74.3000110.9E141F139-E141 VanDerWaalsContact C-N 3.32Å
140G73.7Confident70.6Confident88 Ų88112.8 Ų112.891%0.90758%0.579SS**THydrogen-bonded Turntrans87.3-6.9-17800000114.5R138R138-G140 PolarHBondContact O-N 2.88Å
141E74Confident71.6Confident96 Ų96118.4 Ų118.445%0.44960%0.599SS.*PPolyproline II helixtrans-90.2121.7174.4-66.1177.1176.400109.7V137 R138 F139V137-E141 HydrophobicContact CG1-CB 3.96Å; V137-E141 WeakPolarHBondContact CG1-O 3.07Å; R138-E141 HydrophobicContact CB-CG 4.15Å; R138-E141 WeakPolarHBondContact CB-OE2 3.14Å; R138-E141 WeakPolarHBondContact CD-OE1 2.96Å; R138-E141 WeakPolarHBondContact O-CB 3.36Å; R138-E141 PolarHBondContact O-N 3.34Å; R138-E141 VanDerWaalsContact O-N 3.13Å; F139-E141 VanDerWaalsContact C-N 3.32Å
142A74Confident72.3Confident90 Ų90116.6 Ų116.674%0.74459%0.589SS**PPolyproline II helixtrans-71.1144.2165.700000109
143L70.3Confident73Confident90 Ų90112.4 Ų112.447%0.47158%0.576SS.*PPolyproline II helixtrans-60.9136.9168.4-76.5171.3000109.1P133 P134 V137P133-L143 HydrophobicContact CB-CD1 4.33Å; P133-L143 HydrophobicContact CB-CG 4.06Å; P134-L143 HydrophobicContact CG-CD1 4.45Å; V137-L143 HydrophobicContact CG2-CD2 3.48Å; V137-L143 VanDerWaalsContact CG2-CD2 3.48Å; V137-L143 HydrophobicContact CG2-CG 4.36Å
144P68.5Low73.7Confident97 Ų97116 Ų11663%0.6359%0.588SS**PPolyproline II helixtrans-58.4143167.224.9-31.3000109.1T146P144-T146 HydrophobicContact CG-CG2 4.29Å; P144-T146 WeakPolarHBondContact O-CG2 3.19Å; P144-T146 PolarHBondContact O-N 2.94Å
145D74.9Confident74.3Confident128 Ų128119.8 Ų119.868%0.68462%0.615SS**  trans-63.2105.4171.9-173.6-2.1000108.2T147D145-T147 VanDerWaalsContact OD1-CB 3.31Å; D145-T147 WeakPolarHBondContact OD1-CB 3.49Å; D145-T147 WeakPolarHBondContact OD1-CG2 3.13Å; D145-T147 PolarHBondContact OD1-N 2.92Å; D145-T147 PolarHBondContact OD1-OG1 3.13Å; D145-T147 PolarHBondContact OD2-OG1 3.35Å
146T71.5Confident74.9Confident55 Ų55116 Ų11634%0.33761%0.605SS.*  trans-957.1-176.750.30000111.9P144 E148 L149 L150P144-T146 HydrophobicContact CG-CG2 4.29Å; P144-T146 WeakPolarHBondContact O-CG2 3.19Å; P144-T146 PolarHBondContact O-N 2.94Å; T146-E148 VanDerWaalsContact C-N 3.26Å; T146-E148 PolarHBondContact O-N 3.38Å; T146-E148 VanDerWaalsContact O-N 3.17Å; T146-L149 HydrophobicContact CG2-CD1 4.32Å; T146-L149 PolarHBondContact O-N 2.6Å; T146-L149 VanDerWaalsContact O-N 3.09Å; T146-L150 WeakPolarHBondContact O-CB 3.38Å; T146-L150 WeakPolarHBondContact O-CG 3.37Å; T146-L150 PolarHBondContact O-N 3.36Å
147T77Confident75.3Confident74 Ų74111.3 Ų111.345%0.45459%0.591SS.*Hα-helixtrans-53-39.5-176.648.50000113.6D145 K151D145-T147 VanDerWaalsContact OD1-CB 3.31Å; D145-T147 WeakPolarHBondContact OD1-CB 3.49Å; D145-T147 WeakPolarHBondContact OD1-CG2 3.13Å; D145-T147 PolarHBondContact OD1-N 2.92Å; D145-T147 PolarHBondContact OD1-OG1 3.13Å; D145-T147 PolarHBondContact OD2-OG1 3.35Å; T147-K151 WeakPolarHBondContact O-CG 3.29Å; T147-K151 PolarHBondContact O-N 2.89Å
148E76.8Confident75.6Confident149 Ų149116.1 Ų116.170%0.69662%0.62SS**Hα-helixtrans-72.5-44.5176.5-64.5-165.716300112.9T146 L150 K151T146-E148 VanDerWaalsContact C-N 3.26Å; T146-E148 PolarHBondContact O-N 3.38Å; T146-E148 VanDerWaalsContact O-N 3.17Å; E148-L150 VanDerWaalsContact C-N 3.28Å; E148-L150 PolarHBondContact O-N 2.75Å; E148-K151 PolarHBondContact O-N 3.03Å
149L76Confident75.4Confident114 Ų114115.1 Ų115.160%0.59763%0.628SS**Hα-helixtrans-60.8-42177.2-66.3175.9000111T146 K151 N152 F153T146-L149 HydrophobicContact CG2-CD1 4.32Å; T146-L149 PolarHBondContact O-N 2.6Å; T146-L149 VanDerWaalsContact O-N 3.09Å; L149-K151 PolarHBondContact O-N 3.19Å; L149-N152 PolarHBondContact O-N 3.07Å; L149-N152 VanDerWaalsContact O-N 3.13Å; L149-F153 WeakPolarHBondContact O-CD2 3.31Å
150L73.1Confident74.5Confident66 Ų66117.5 Ų117.535%0.34664%0.638SS.*Hα-helixtrans-62.4-36.6179.1-77.4-177.3000113T146 E148 N152 F153 M156T146-L150 WeakPolarHBondContact O-CB 3.38Å; T146-L150 WeakPolarHBondContact O-CG 3.37Å; T146-L150 PolarHBondContact O-N 3.36Å; E148-L150 VanDerWaalsContact C-N 3.28Å; E148-L150 PolarHBondContact O-N 2.75Å; L150-N152 PolarHBondContact O-N 3.1Å; L150-F153 HydrophobicContact CD2-CD2 4.31Å; L150-F153 PolarHBondContact O-N 3.17Å; L150-M156 HydrophobicContact CB-CE 3.36Å; L150-M156 HydrophobicContact CD1-CE 4.28Å; L150-M156 HydrophobicContact CD2-CE 3.48Å; L150-M156 VanDerWaalsContact CD2-CE 3.48Å; L150-M156 HydrophobicContact CD2-SD 4.1Å; L150-M156 HydrophobicContact CG-CE 3.83Å; L150-M156 WeakPolarHBondContact O-CE 3.07Å
151K77.5Confident74.5Confident158 Ų158119 Ų11969%0.68763%0.625SS**Hα-helixtrans-62.9-28.6174.3-74.2170.4-174.4173.90112.8T147 E148 L149T147-K151 WeakPolarHBondContact O-CG 3.29Å; T147-K151 PolarHBondContact O-N 2.89Å; E148-K151 PolarHBondContact O-N 3.03Å; L149-K151 PolarHBondContact O-N 3.19Å
152N79.9Confident74.5Confident134 Ų134120.2 Ų120.272%0.71763%0.634SS**THydrogen-bonded Turntrans-84.6-10.1-178.9-66.78.4000113L149 L150 E154L149-N152 PolarHBondContact O-N 3.07Å; L149-N152 VanDerWaalsContact O-N 3.13Å; L150-N152 PolarHBondContact O-N 3.1Å; N152-E154 PolarHBondContact O-N 3.41Å; N152-E154 VanDerWaalsContact O-N 3.1Å
153F79.7Confident74.6Confident110 Ų110121.9 Ų121.948%0.48263%0.628SS.*  trans-72105.9174.4-83.1-89.4000110.3L149 L150 S155 M156L149-F153 WeakPolarHBondContact O-CD2 3.31Å; L150-F153 HydrophobicContact CD2-CD2 4.31Å; L150-F153 PolarHBondContact O-N 3.17Å; F153-S155 PolarHBondContact O-N 3.1Å; F153-S155 VanDerWaalsContact O-N 3.15Å; F153-M156 HydrophobicContact CB-CB 4.28Å; F153-M156 HydrophobicContact CB-CG 4.06Å; F153-M156 PolarHBondContact O-N 2.95Å
154E78.8Confident74.8Confident145 Ų145123.8 Ų123.868%0.67864%0.637SS**G310 helixtrans-44.9-41.6170.5-84.4-89.7123.900112.6N152 M156 K157N152-E154 PolarHBondContact O-N 3.41Å; N152-E154 VanDerWaalsContact O-N 3.1Å; E154-M156 PolarHBondContact O-N 2.77Å; E154-K157 WeakPolarHBondContact O-CB 3.43Å; E154-K157 PolarHBondContact O-N 3.18Å; E154-K157 IonicContact OE1-NZ 2.73Å; E154-K157 PolarHBondContact OE1-NZ 3.08Å
155S81.8Confident75.2Confident108 Ų108125.4 Ų125.476%0.75564%0.637SS**G310 helixtrans-68.4-17.7-178.957.30000114.7F153F153-S155 PolarHBondContact O-N 3.1Å; F153-S155 VanDerWaalsContact O-N 3.15Å
156M77Confident75.2Confident99 Ų99125.3 Ų125.349%0.48863%0.634SS.*G310 helixtrans-97.8-6.6177.3-66-144.6-49.900113.6L150 F153 E154 V158L150-M156 HydrophobicContact CB-CE 3.36Å; L150-M156 HydrophobicContact CD1-CE 4.28Å; L150-M156 HydrophobicContact CD2-CE 3.48Å; L150-M156 VanDerWaalsContact CD2-CE 3.48Å; L150-M156 HydrophobicContact CD2-SD 4.1Å; L150-M156 HydrophobicContact CG-CE 3.83Å; L150-M156 WeakPolarHBondContact O-CE 3.07Å; F153-M156 HydrophobicContact CB-CB 4.28Å; F153-M156 HydrophobicContact CB-CG 4.06Å; F153-M156 PolarHBondContact O-N 2.95Å; E154-M156 PolarHBondContact O-N 2.77Å; M156-V158 PolarHBondContact O-N 2.74Å
157K79.3Confident75.5Confident111 Ų111130.3 Ų130.348%0.48366%0.655SS.*SBendtrans-65105.6170-63.4178.7-175.9171.20106.5E154 N159E154-K157 WeakPolarHBondContact O-CB 3.43Å; E154-K157 PolarHBondContact O-N 3.18Å; E154-K157 IonicContact OE1-NZ 2.73Å; E154-K157 PolarHBondContact OE1-NZ 3.08Å; K157-N159 PolarHBondContact O-N 3.05Å
158V76.6Confident75.4Confident127 Ų127134.6 Ų134.677%0.7767%0.671SS**  trans-60.7112.5170.3-179.60000105.7M156 K160M156-V158 PolarHBondContact O-N 2.74Å; V158-K160 PolarHBondContact O-N 2.99Å
159N70.1Confident75.3Confident158 Ų158133.4 Ų133.485%0.84567%0.669SS**  trans-57.5107.1166-73.5-26.3000106K157K157-N159 PolarHBondContact O-N 3.05Å
160K53.3Low75.2Confident271 Ų271135.2 Ų135.2100%1.17868%0.675SS**  trans-67.30172.4-80.3-173.5176.7-178.40110.1V158V158-K160 PolarHBondContact O-N 2.99Å

Retrieved 160 of 160 residues in 87.1 ms (Link to these results)

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