A0A096MSL0_PAPAN Loading...

Cysteine and glycine-rich protein 1

Could play a role in neuronal development.

AlphaFold DB (P97315), UniProt , Accession A0A096MSL0, Species PAPAN (Papio anubis, Olive baboon), Gene CSRP1, Length 193 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
1M44.8Very low67.1Low228 Ų228113.3 Ų113.3100%1.12366%0.659SS**  0109.10-60.1160.7-16500107.1N3M1-N3 PolarHBondContact O-N 2.69Å
2P55Low68.4Low106 Ų106111 Ų11169%0.68865%0.648SS**  trans-66.8119.6176.224.1-28.7000109.5W4P2-W4 HydrophobicContact CB-CE3 4.33Å; P2-W4 HydrophobicContact CB-CZ3 4.42Å; P2-W4 HydrophobicContact CG-CE3 4.07Å; P2-W4 HydrophobicContact CG-CZ3 3.97Å; P2-W4 PolarHBondContact O-N 3.46Å
3N54.7Low69.8Low165 Ų165105.4 Ų105.488%0.88262%0.618SS**  trans-62.892.5178.7-105.8-57.4000109.7M1 G5M1-N3 PolarHBondContact O-N 2.69Å; N3-G5 PolarHBondContact O-N 2.98Å
4W51.3Low70.6Confident237 Ų237108.7 Ų108.790%0.89862%0.624SS**  trans-77.921.3-179.3-131.3-76.1000114.1P2P2-W4 HydrophobicContact CB-CE3 4.33Å; P2-W4 HydrophobicContact CB-CZ3 4.42Å; P2-W4 HydrophobicContact CG-CE3 4.07Å; P2-W4 HydrophobicContact CG-CZ3 3.97Å; P2-W4 PolarHBondContact O-N 3.46Å
5G57Low71.6Confident66 Ų66110.9 Ų110.968%0.6862%0.624SS**  trans-117.333-171.100000114.3N3 G7N3-G5 PolarHBondContact O-N 2.98Å; G5-G7 PolarHBondContact O-N 2.83Å
6G66.1Low72.6Confident79 Ų79108.3 Ų108.381%0.81461%0.612SS**  trans-71.859.9177.700000112.9
7G74.7Confident73.4Confident44 Ų44102.3 Ų102.345%0.45458%0.578SS.*PPolyproline II helixtrans-62.2146.2170.500000110.6G5 K9G5-G7 PolarHBondContact O-N 2.83Å; G7-K9 PolarHBondContact O-N 3.27Å
8K80.8Confident73.9Confident118 Ų118106.2 Ų106.251%0.51358%0.583SS.*PPolyproline II helixtrans-66133173.2-59.9-75.3-171.4163.60108.4V17 S29K8-V17 PolarHBondContact O-N 2.94Å; K8-S29 VanDerWaalsContact CB-CB 3.47Å; K8-S29 WeakPolarHBondContact CB-OG 3.42Å; K8-S29 VanDerWaalsContact CG-OG 3.29Å; K8-S29 WeakPolarHBondContact CG-OG 3.4Å
9K86.3Confident74.2Confident149 Ų149110.2 Ų110.265%0.64860%0.595SS**BIsolated β-bridgetrans-95.7145.6176.562.4178.3178.7178.20110.5G7 G11G7-K9 PolarHBondContact O-N 3.27Å; K9-G11 PolarHBondContact O-N 3Å
10C87.2Confident74.6Confident1 Ų1109.1 Ų109.11%0.00760%0.601CS.*PPolyproline II helixtrans-65.6126.1177.6-173.90000110.2V12 C13 Q14 K15 V17 S29 H31 C34C10-V12 PolarHBondContact O-N 3.12Å; C10-C13 WeakPolarHBondContact CB-SG 3.22Å; C10-Q14 WeakPolarHBondContact O-CA 3.26Å; C10-Q14 PolarHBondContact O-N 3.16Å; C10-K15 WeakPolarHBondContact CB-O 3.17Å; C10-K15 PolarHBondContact N-O 3.48Å; C10-V17 HydrophobicContact CB-CG2 3.68Å; C10-V17 VanDerWaalsContact N-CG2 3.32Å; C10-S29 VanDerWaalsContact CA-O 3.28Å; C10-S29 WeakPolarHBondContact CA-O 3.47Å; C10-H31 VanDerWaalsContact CB-CE1 3.48Å; C10-H31 WeakPolarHBondContact CB-CE1 3.42Å; C10-H31 WeakPolarHBondContact CB-ND1 3.2Å; C10-H31 PolarHBondContact SG-ND1 2.87Å; C10-C34 VanDerWaalsContact SG-CB 3.54Å
11G80.1Confident74.8Confident53 Ų53108.8 Ų108.855%0.54660%0.595SS.*THydrogen-bonded Turntrans-59.6-27174.600000113.1K9K9-G11 PolarHBondContact O-N 3Å
12V82.6Confident76.5Confident86 Ų86100.1 Ų100.152%0.52155%0.552SS.*THydrogen-bonded Turntrans-89.5-54.6-176.7179.40000112.3C10 F30 C34C10-V12 PolarHBondContact O-N 3.12Å; V12-F30 HydrophobicContact CG2-CD1 3.84Å; V12-F30 HydrophobicContact CG2-CE1 3.94Å; V12-C34 HydrophobicContact CB-CB 4.06Å; V12-C34 HydrophobicContact CG1-CB 4.37Å; V12-C34 HydrophobicContact CG2-CB 4.5Å
13C86.1Confident78Confident38 Ų3896.3 Ų96.326%0.25753%0.527SS..THydrogen-bonded Turntrans-101.6-0.9-174.577.40000114.1C10 K15 H31C10-C13 WeakPolarHBondContact CB-SG 3.22Å; C13-K15 PolarHBondContact O-N 3.15Å; C13-K15 WeakPolarHBondContact SG-CE 3.11Å; C13-H31 PolarHBondContact SG-CE1 3.44Å; C13-H31 PolarHBondContact SG-ND1 3.04Å
14Q81.5Confident79.3Confident152 Ų15294.9 Ų94.971%0.7152%0.515SS*.  trans59.6-2.2179.8-54.21803300115.7C10C10-Q14 WeakPolarHBondContact O-CA 3.26Å; C10-Q14 PolarHBondContact O-N 3.16Å
15K86.1Confident80.5Confident141 Ų14184.2 Ų84.261%0.61348%0.476SS*.SBendtrans-74.5150.9174.3-68.2176.7-79.8-178.60110.7C10 C13 V17 H31C10-K15 WeakPolarHBondContact CB-O 3.17Å; C10-K15 PolarHBondContact N-O 3.48Å; C13-K15 PolarHBondContact O-N 3.15Å; C13-K15 WeakPolarHBondContact SG-CE 3.11Å; K15-V17 PolarHBondContact O-N 3.01Å; K15-H31 PolarHBondContact O-CE1 2.81Å
16T86.9Confident81.4Confident70 Ų7089.1 Ų89.143%0.42948%0.481SS..BIsolated β-bridgetrans-57.1132.1173.5-44.80000110.1H31T16-H31 PolarHBondContact O-NE2 2.86Å
17V85.7Confident82Confident6 Ų688 Ų884%0.03647%0.47CS..PPolyproline II helixtrans-96.3122.1175.1-157.40000107.4K8 C10 K15 E22K8-V17 PolarHBondContact O-N 2.94Å; C10-V17 HydrophobicContact CB-CG2 3.68Å; C10-V17 VanDerWaalsContact N-CG2 3.32Å; K15-V17 PolarHBondContact O-N 3.01Å; V17-E22 HydrophobicContact CB-CB 4.06Å; V17-E22 VanDerWaalsContact CG1-CA 3.42Å; V17-E22 HydrophobicContact CG1-CB 3.26Å
18Y83.5Confident82.3Confident173 Ų17390 Ų9068%0.67847%0.47SS*.PPolyproline II helixtrans-85.7148.2175.3-62.1-74.3000109.5A20 E21 E22Y18-A20 PolarHBondContact O-N 3.01Å; Y18-E21 PolarHBondContact O-N 2.9Å; Y18-E22 PolarHBondContact O-N 3.28Å; Y18-E22 VanDerWaalsContact O-N 3.13Å
19F80.1Confident82.5Confident182 Ų18284.5 Ų84.580%0.79845%0.447SS*.THydrogen-bonded Turntrans-49.3-32.3-178.1-175.8-104.7000114.5E21 E22F19-E21 PolarHBondContact O-N 3.03Å; F19-E22 WeakPolarHBondContact CA-OE1 3.34Å
20A81Confident82.6Confident87 Ų8778 Ų7872%0.71942%0.418SS*.THydrogen-bonded Turntrans-68.9-29.118000000114.5Y18Y18-A20 PolarHBondContact O-N 3.01Å
21E78.6Confident82.7Confident104 Ų10479.2 Ų79.249%0.48642%0.424SS..THydrogen-bonded Turntrans-122.29.2-172.1-67.3-67.2134.200112.3Y18 F19 H31 K32Y18-E21 PolarHBondContact O-N 2.9Å; F19-E21 PolarHBondContact O-N 3.03Å; E21-H31 CarbonylContact O-C 3.57Å; E21-H31 WeakPolarHBondContact O-CA 3.34Å; E21-K32 PolarHBondContact O-N 3.2Å
22E81.9Confident82.9Confident45 Ų4583.3 Ų83.321%0.2143%0.427CS..EExtended strand (participates in β ladder)trans-83.7125.5-17979.6176.7126.800112.3V17 Y18 F19 S29 F30V17-E22 HydrophobicContact CB-CB 4.06Å; V17-E22 VanDerWaalsContact CG1-CA 3.42Å; V17-E22 HydrophobicContact CG1-CB 3.26Å; Y18-E22 PolarHBondContact O-N 3.28Å; Y18-E22 VanDerWaalsContact O-N 3.13Å; F19-E22 WeakPolarHBondContact CA-OE1 3.34Å; E22-S29 WeakPolarHBondContact OE2-CB 3.39Å; E22-S29 PolarHBondContact OE2-OG 2.78Å; E22-F30 CarbonylContact C-O 3.5Å; E22-F30 WeakPolarHBondContact CA-O 3.33Å
23V86Confident83Confident27 Ų2783 Ų8316%0.16443%0.429CS..EExtended strand (participates in β ladder)trans-102.3115.9165-173.30000106.6F30 K32 F35V23-F30 PolarHBondContact N-O 3.48Å; V23-F30 PolarHBondContact O-N 2.94Å; V23-K32 HydrophobicContact CG2-CB 4.49Å; V23-F35 HydrophobicContact CB-CD1 4.36Å; V23-F35 HydrophobicContact CB-CD2 4.31Å; V23-F35 HydrophobicContact CB-CG 4.18Å; V23-F35 HydrophobicContact CG1-CD1 3.8Å; V23-F35 HydrophobicContact CG1-CD2 4.16Å; V23-F35 HydrophobicContact CG1-CE1 3.69Å; V23-F35 HydrophobicContact CG1-CE2 4.05Å; V23-F35 HydrophobicContact CG1-CG 4.03Å; V23-F35 HydrophobicContact CG1-CZ 3.79Å; V23-F35 HydrophobicContact CG2-CB 4.47Å; V23-F35 HydrophobicContact CG2-CG 4.48Å
24Q80.7Confident83Confident135 Ų13582.1 Ų82.163%0.63142%0.423SS*.EExtended strand (participates in β ladder)trans-85.3130.1175.6-67.8-178.1-3.300109.7N28Q24-N28 WeakPolarHBondContact CA-O 2.96Å
25C78.1Confident83.4Confident13 Ų1374.9 Ų74.99%0.08839%0.389CS..EExtended strand (participates in β ladder)trans-141.2116179-163.90000109G27 N28 F30 F35 V51C25-G27 PolarHBondContact O-N 3.02Å; C25-N28 PolarHBondContact N-O 2.94Å; C25-N28 PolarHBondContact O-N 3.16Å; C25-F30 HydrophobicContact CB-CD2 4.1Å; C25-F30 HydrophobicContact CB-CE2 3.96Å; C25-F35 HydrophobicContact CB-CE2 3.68Å; C25-F35 HydrophobicContact CB-CZ 3.97Å; C25-V51 WeakPolarHBondContact SG-CG2 3.36Å
26E74.7Confident83.5Confident168 Ų16871.1 Ų71.179%0.78538%0.375SS*.THydrogen-bonded Turntrans44.636.2179.4-135.6-176.712700115.3V51E26-V51 HydrophobicContact CB-CG2 4.32Å; E26-V51 WeakPolarHBondContact OE2-CB 3.1Å
27G79.2Confident83.7Confident56 Ų5667.9 Ų67.958%0.57736%0.355SS*.THydrogen-bonded Turntrans99.7-10.1177.200000115.7C25C25-G27 PolarHBondContact O-N 3.02Å
28N82.1Confident83.7Confident86 Ų8673.1 Ų73.146%0.4638%0.38SS..EExtended strand (participates in β ladder)trans-103.9142.2177.3-67.3-9.4000111.2Q24 C25 F30Q24-N28 WeakPolarHBondContact CA-O 2.96Å; C25-N28 PolarHBondContact N-O 2.94Å; C25-N28 PolarHBondContact O-N 3.16Å; N28-F30 HydrophobicContact CB-CE2 3.69Å; N28-F30 HydrophobicContact CB-CZ 3.97Å
29S84.3Confident83.8Confident2 Ų268.7 Ų68.71%0.01437%0.372CS..EExtended strand (participates in β ladder)trans-96.2136.1174.3-55.40000109.9K8 C10 E22K8-S29 VanDerWaalsContact CB-CB 3.47Å; K8-S29 WeakPolarHBondContact CB-OG 3.42Å; K8-S29 VanDerWaalsContact CG-OG 3.29Å; K8-S29 WeakPolarHBondContact CG-OG 3.4Å; C10-S29 VanDerWaalsContact CA-O 3.28Å; C10-S29 WeakPolarHBondContact CA-O 3.47Å; E22-S29 WeakPolarHBondContact OE2-CB 3.39Å; E22-S29 PolarHBondContact OE2-OG 2.78Å
30F87.7Confident84.2Confident13 Ų1362.2 Ų62.26%0.05735%0.348CS..EExtended strand (participates in β ladder)trans-126.1150.5174.6-61-88.9000109.6V12 E22 V23 C25 N28 F35 I56V12-F30 HydrophobicContact CG2-CD1 3.84Å; V12-F30 HydrophobicContact CG2-CE1 3.94Å; E22-F30 CarbonylContact C-O 3.5Å; E22-F30 WeakPolarHBondContact CA-O 3.33Å; V23-F30 PolarHBondContact N-O 3.48Å; V23-F30 PolarHBondContact O-N 2.94Å; C25-F30 HydrophobicContact CB-CD2 4.1Å; C25-F30 HydrophobicContact CB-CE2 3.96Å; N28-F30 HydrophobicContact CB-CE2 3.69Å; N28-F30 HydrophobicContact CB-CZ 3.97Å; F30-F35 HydrophobicContact CB-CB 4.44Å; F30-F35 HydrophobicContact CB-CD2 3.77Å; F30-F35 AromaticContact CD2-CD2 3.95Å; F30-F35 HydrophobicContact CD2-CD2 3.95Å; F30-F35 AromaticContact CD2-CE2 3.96Å; F30-F35 HydrophobicContact CD2-CE2 3.96Å; F30-F35 AromaticContact CG-CD2 3.93Å; F30-F35 HydrophobicContact CG-CD2 3.93Å; F30-F35 HydrophobicContact CG-CE2 4.41Å; F30-I56 HydrophobicContact CE2-CG2 4.48Å; F30-I56 HydrophobicContact CZ-CG2 4.32Å
31H88.9Confident84.5Confident27 Ų2766.1 Ų66.113%0.12535%0.349CS..EExtended strand (participates in β ladder)trans-67.5147.3167.7-58.397.9000110C10 C13 K15 T16 E21 S33 C34 F35C10-H31 VanDerWaalsContact CB-CE1 3.48Å; C10-H31 WeakPolarHBondContact CB-CE1 3.42Å; C10-H31 WeakPolarHBondContact CB-ND1 3.2Å; C10-H31 PolarHBondContact SG-ND1 2.87Å; C13-H31 PolarHBondContact SG-CE1 3.44Å; C13-H31 PolarHBondContact SG-ND1 3.04Å; K15-H31 PolarHBondContact O-CE1 2.81Å; T16-H31 PolarHBondContact O-NE2 2.86Å; E21-H31 CarbonylContact O-C 3.57Å; E21-H31 WeakPolarHBondContact O-CA 3.34Å; H31-S33 PolarHBondContact O-N 3.25Å; H31-S33 VanDerWaalsContact O-N 3.08Å; H31-C34 HydrophobicContact CB-CB 3.94Å; H31-C34 CarbonylContact O-C 3.59Å; H31-C34 WeakPolarHBondContact O-CA 3.45Å; H31-C34 PolarHBondContact O-N 2.83Å; H31-F35 PolarHBondContact O-N 3.17Å
32K84.8Confident84.9Confident138 Ų13867.4 Ų67.460%0.635%0.353SS*.THydrogen-bonded Turntrans-48.7-35.9170.6-162.5173.6-156.3-78.30113.5E21 V23E21-K32 PolarHBondContact O-N 3.2Å; V23-K32 HydrophobicContact CG2-CB 4.49Å
33S84.7Confident85.1Confident81 Ų8170.5 Ų70.557%0.56637%0.371SS*.THydrogen-bonded Turntrans-81.1-24.9175.8570000114.2H31 L36H31-S33 PolarHBondContact O-N 3.25Å; H31-S33 VanDerWaalsContact O-N 3.08Å; S33-L36 WeakPolarHBondContact O-CG 3.28Å
34C87.2Confident85.1Confident19 Ų1970 Ų7013%0.12837%0.367CS..THydrogen-bonded Turntrans-88.9-12.1177.4-67.70000113.1C10 V12 H31 L36C10-C34 VanDerWaalsContact SG-CB 3.54Å; V12-C34 HydrophobicContact CB-CB 4.06Å; V12-C34 HydrophobicContact CG1-CB 4.37Å; V12-C34 HydrophobicContact CG2-CB 4.5Å; H31-C34 HydrophobicContact CB-CB 3.94Å; H31-C34 CarbonylContact O-C 3.59Å; H31-C34 WeakPolarHBondContact O-CA 3.45Å; H31-C34 PolarHBondContact O-N 2.83Å; C34-L36 PolarHBondContact O-N 3.43Å
35F89Confident85.2Confident0 Ų066.8 Ų66.80%036%0.355CS..  trans-77.171.1179.7-155.7-120.5000110.7V23 C25 F30 H31 L44 V49 I56V23-F35 HydrophobicContact CB-CD1 4.36Å; V23-F35 HydrophobicContact CB-CD2 4.31Å; V23-F35 HydrophobicContact CB-CG 4.18Å; V23-F35 HydrophobicContact CG1-CD1 3.8Å; V23-F35 HydrophobicContact CG1-CD2 4.16Å; V23-F35 HydrophobicContact CG1-CE1 3.69Å; V23-F35 HydrophobicContact CG1-CE2 4.05Å; V23-F35 HydrophobicContact CG1-CG 4.03Å; V23-F35 HydrophobicContact CG1-CZ 3.79Å; V23-F35 HydrophobicContact CG2-CB 4.47Å; V23-F35 HydrophobicContact CG2-CG 4.48Å; C25-F35 HydrophobicContact CB-CE2 3.68Å; C25-F35 HydrophobicContact CB-CZ 3.97Å; F30-F35 HydrophobicContact CB-CB 4.44Å; F30-F35 HydrophobicContact CB-CD2 3.77Å; F30-F35 AromaticContact CD2-CD2 3.95Å; F30-F35 HydrophobicContact CD2-CD2 3.95Å; F30-F35 AromaticContact CD2-CE2 3.96Å; F30-F35 HydrophobicContact CD2-CE2 3.96Å; F30-F35 AromaticContact CG-CD2 3.93Å; F30-F35 HydrophobicContact CG-CD2 3.93Å; F30-F35 HydrophobicContact CG-CE2 4.41Å; H31-F35 PolarHBondContact O-N 3.17Å; F35-L44 HydrophobicContact CD1-CB 3.45Å; F35-L44 VanDerWaalsContact CD1-CB 3.45Å; F35-L44 WeakPolarHBondContact CD1-O 3.45Å; F35-L44 HydrophobicContact CE1-CB 3.57Å; F35-L44 HydrophobicContact CG-CB 4.27Å; F35-L44 HydrophobicContact CZ-CB 4.5Å; F35-L44 PolarHBondContact O-N 3.09Å; F35-V49 HydrophobicContact CE1-CB 3.81Å; F35-V49 HydrophobicContact CE1-CG1 4.12Å; F35-V49 HydrophobicContact CE1-CG2 4.18Å; F35-V49 HydrophobicContact CE2-CG2 4.16Å; F35-V49 HydrophobicContact CZ-CB 3.57Å; F35-V49 HydrophobicContact CZ-CG1 3.74Å; F35-V49 HydrophobicContact CZ-CG2 3.54Å; F35-I56 HydrophobicContact CD2-CD1 3.68Å; F35-I56 HydrophobicContact CE2-CD1 3.99Å; F35-I56 HydrophobicContact CG-CD1 4.38Å
36L88.9Confident85.2Confident62 Ų6270.7 Ų70.733%0.32538%0.382SS..BIsolated β-bridgetrans-118.5141.1-173.5-58.2173.1000110.1S33 C34 M38 K42 N43 I56S33-L36 WeakPolarHBondContact O-CG 3.28Å; C34-L36 PolarHBondContact O-N 3.43Å; L36-M38 PolarHBondContact O-N 2.79Å; L36-K42 WeakPolarHBondContact CA-O 3.48Å; L36-N43 HydrophobicContact CD2-CB 4.21Å; L36-N43 VanDerWaalsContact CD2-ND2 3.31Å; L36-N43 WeakPolarHBondContact CD2-ND2 3.37Å; L36-I56 WeakPolarHBondContact O-CD1 3.44Å; L36-I56 WeakPolarHBondContact O-CG1 3.27Å
37C90.6Very high85.6Confident1 Ų168.5 Ų68.51%0.00738%0.38CS..  trans-67.4130.7172.8171.90000110.8V39 C40 K41 K42 L44 C58C37-V39 PolarHBondContact O-N 3.25Å; C37-V39 PolarHBondContact SG-N 2.81Å; C37-C40 WeakPolarHBondContact CB-SG 3.42Å; C37-K41 WeakPolarHBondContact O-CA 3.41Å; C37-K41 PolarHBondContact O-N 3.43Å; C37-K42 PolarHBondContact N-O 3.15Å; C37-L44 HydrophobicContact CB-CD1 3.97Å; C37-L44 HydrophobicContact CB-CD2 4.25Å; C37-L44 HydrophobicContact CB-CG 4.17Å; C37-C58 HydrophobicContact CB-CB 4.14Å; C37-C58 PolarHBondContact SG-N 3.2Å
38M84.9Confident85.9Confident116 Ų11668.5 Ų68.557%0.57137%0.369SS*.THydrogen-bonded Turntrans-57.8-34.8179.8-166.9-175.1-171.300113.7L36 E55 I56 Y57L36-M38 PolarHBondContact O-N 2.79Å; M38-E55 VanDerWaalsContact CE-OE1 3.29Å; M38-E55 WeakPolarHBondContact CE-OE1 3.41Å; M38-E55 HydrophobicContact SD-CB 4.48Å; M38-E55 HydrophobicContact SD-CG 4.24Å; M38-I56 PolarHBondContact N-O 2.64Å; M38-I56 VanDerWaalsContact N-O 3.11Å; M38-Y57 HydrophobicContact CB-CE1 4.3Å
39V86.4Confident86.1Confident81 Ų8166 Ų6649%0.49136%0.356SS..THydrogen-bonded Turntrans-84.3-47-175.5179.50000112.5C37 Y57 C61C37-V39 PolarHBondContact O-N 3.25Å; C37-V39 PolarHBondContact SG-N 2.81Å; V39-Y57 HydrophobicContact CG2-CD1 3.71Å; V39-Y57 HydrophobicContact CG2-CE1 3.61Å; V39-C61 HydrophobicContact CB-CB 3.97Å; V39-C61 HydrophobicContact CG1-CB 4.28Å; V39-C61 HydrophobicContact CG2-CB 4.26Å
40C89.2Confident86.3Confident46 Ų4666.9 Ų66.931%0.31136%0.364SS..THydrogen-bonded Turntrans-104.7-4.6-173.566.60000114.2C37 K42 C58C37-C40 WeakPolarHBondContact CB-SG 3.42Å; C40-K42 HydrophobicContact CB-CG 4.37Å; C40-K42 PolarHBondContact O-N 3.07Å; C40-C58 VanDerWaalsContact SG-SG 3.63Å
41K86Confident86.1Confident168 Ų16868.1 Ų68.173%0.7337%0.373SS*.  trans51.417.4-175.6-58-171.5-180-169.40114.8C37C37-K41 WeakPolarHBondContact O-CA 3.41Å; C37-K41 PolarHBondContact O-N 3.43Å
42K86.6Confident85.7Confident131 Ų13170.2 Ų70.257%0.5738%0.383SS*.PPolyproline II helixtrans-76.9142.4174.4-68.3-162.4-63.2-1790110L36 C37 C40 L44L36-K42 WeakPolarHBondContact CA-O 3.48Å; C37-K42 PolarHBondContact N-O 3.15Å; C40-K42 HydrophobicContact CB-CG 4.37Å; C40-K42 PolarHBondContact O-N 3.07Å; K42-L44 PolarHBondContact O-N 3Å
43N87.2Confident85.5Confident111 Ų11167 Ų6759%0.59439%0.388SS*.BIsolated β-bridgetrans-55126.2165.5-60.485.8000109.8L36L36-N43 HydrophobicContact CD2-CB 4.21Å; L36-N43 VanDerWaalsContact CD2-ND2 3.31Å; L36-N43 WeakPolarHBondContact CD2-ND2 3.37Å
44L85.4Confident85.2Confident15 Ų1572 Ų728%0.07940%0.403CS..PPolyproline II helixtrans-93.4162.8172.4-67.5161.2000108.3F35 C37 K42 V49 I56 C58F35-L44 HydrophobicContact CD1-CB 3.45Å; F35-L44 VanDerWaalsContact CD1-CB 3.45Å; F35-L44 WeakPolarHBondContact CD1-O 3.45Å; F35-L44 HydrophobicContact CE1-CB 3.57Å; F35-L44 HydrophobicContact CG-CB 4.27Å; F35-L44 HydrophobicContact CZ-CB 4.5Å; F35-L44 PolarHBondContact O-N 3.09Å; C37-L44 HydrophobicContact CB-CD1 3.97Å; C37-L44 HydrophobicContact CB-CD2 4.25Å; C37-L44 HydrophobicContact CB-CG 4.17Å; K42-L44 PolarHBondContact O-N 3Å; L44-V49 HydrophobicContact CB-CB 4.43Å; L44-V49 HydrophobicContact CD1-CG2 4.18Å; L44-I56 HydrophobicContact CD1-CB 4.31Å; L44-I56 HydrophobicContact CD1-CD1 4.07Å; L44-I56 HydrophobicContact CD1-CG1 4.28Å; L44-C58 HydrophobicContact CD2-CB 3.39Å
45D83.5Confident85.1Confident69 Ų6974.6 Ų74.637%0.36941%0.413SS..  trans-125.2167.5167.561.8-91000108.3T47 T48 V49D45-T47 PolarHBondContact O-N 2.76Å; D45-T47 VanDerWaalsContact OD2-CA 3.26Å; D45-T47 WeakPolarHBondContact OD2-CA 3.44Å; D45-T47 WeakPolarHBondContact OD2-CB 3.48Å; D45-T47 PolarHBondContact OD2-N 2.9Å; D45-T47 PolarHBondContact OD2-OG1 2.96Å; D45-T48 VanDerWaalsContact CG-OG1 3.26Å; D45-T48 PolarHBondContact N-OG1 2.88Å; D45-T48 PolarHBondContact O-N 3.1Å; D45-T48 VanDerWaalsContact O-N 3.15Å; D45-T48 WeakPolarHBondContact OD1-CB 3.25Å; D45-T48 WeakPolarHBondContact OD1-CG2 3.29Å; D45-T48 PolarHBondContact OD1-OG1 2.92Å; D45-T48 PolarHBondContact OD2-N 3.18Å; D45-V49 PolarHBondContact O-N 3.17Å
46S78.9Confident85Confident94 Ų9475.3 Ų75.366%0.65742%0.417SS*.THydrogen-bonded Turntrans-56.7-16.1-179.448.20000114.1
47T81.6Confident85Confident122 Ų12272.9 Ų72.975%0.74840%0.403SS*.THydrogen-bonded Turntrans-99.2-28.1-179.2-39.90000112.9D45D45-T47 PolarHBondContact O-N 2.76Å; D45-T47 VanDerWaalsContact OD2-CA 3.26Å; D45-T47 WeakPolarHBondContact OD2-CA 3.44Å; D45-T47 WeakPolarHBondContact OD2-CB 3.48Å; D45-T47 PolarHBondContact OD2-N 2.9Å; D45-T47 PolarHBondContact OD2-OG1 2.96Å
48T85.2Confident85Confident57 Ų5773.3 Ų73.335%0.3541%0.406SS..THydrogen-bonded Turntrans-102.9-3.6-174.764.80000115D45 C58 K59D45-T48 VanDerWaalsContact CG-OG1 3.26Å; D45-T48 PolarHBondContact N-OG1 2.88Å; D45-T48 PolarHBondContact O-N 3.1Å; D45-T48 VanDerWaalsContact O-N 3.15Å; D45-T48 WeakPolarHBondContact OD1-CB 3.25Å; D45-T48 WeakPolarHBondContact OD1-CG2 3.29Å; D45-T48 PolarHBondContact OD1-OG1 2.92Å; D45-T48 PolarHBondContact OD2-N 3.18Å; T48-C58 WeakPolarHBondContact O-CA 3.43Å; T48-K59 PolarHBondContact O-N 2.89Å
49V86.4Confident85.2Confident32 Ų3275.8 Ų75.819%0.19441%0.414CS..EExtended strand (participates in β ladder)trans-73.2140.7173.664.50000112F35 L44 D45 V51 I56 Y57F35-V49 HydrophobicContact CE1-CB 3.81Å; F35-V49 HydrophobicContact CE1-CG1 4.12Å; F35-V49 HydrophobicContact CE1-CG2 4.18Å; F35-V49 HydrophobicContact CE2-CG2 4.16Å; F35-V49 HydrophobicContact CZ-CB 3.57Å; F35-V49 HydrophobicContact CZ-CG1 3.74Å; F35-V49 HydrophobicContact CZ-CG2 3.54Å; L44-V49 HydrophobicContact CB-CB 4.43Å; L44-V49 HydrophobicContact CD1-CG2 4.18Å; D45-V49 PolarHBondContact O-N 3.17Å; V49-V51 HydrophobicContact CG2-CG2 4.38Å; V49-I56 HydrophobicContact CG2-CB 4.11Å; V49-I56 HydrophobicContact CG2-CG2 4.2Å; V49-Y57 CarbonylContact C-O 3.49Å; V49-Y57 WeakPolarHBondContact CA-O 3.1Å
50A88.8Confident85.2Confident22 Ų2275.6 Ų75.618%0.18242%0.416CS..EExtended strand (participates in β ladder)trans-129.5122166.600000107.5Y57 Y62A50-Y57 PolarHBondContact N-O 3.03Å; A50-Y57 WeakPolarHBondContact O-CA 3.26Å; A50-Y57 WeakPolarHBondContact O-CB 3.46Å; A50-Y57 PolarHBondContact O-N 3.2Å; A50-Y62 HydrophobicContact CB-CD1 4.35Å; A50-Y62 HydrophobicContact CB-CD2 3.86Å; A50-Y62 HydrophobicContact CB-CG 3.73Å
51V83.4Confident85.2Confident38 Ų3873.5 Ų73.523%0.2340%0.402CS..EExtended strand (participates in β ladder)trans-90.3138.2177.8-171.50000108.6C25 E26 V49 G53 E55 I56C25-V51 WeakPolarHBondContact SG-CG2 3.36Å; E26-V51 HydrophobicContact CB-CG2 4.32Å; E26-V51 WeakPolarHBondContact OE2-CB 3.1Å; V49-V51 HydrophobicContact CG2-CG2 4.38Å; V51-G53 WeakPolarHBondContact CG1-O 3.13Å; V51-E55 WeakPolarHBondContact CA-O 3.38Å; V51-I56 HydrophobicContact CG2-CG2 4.27Å
52H81.8Confident85.3Confident72 Ų7269.7 Ų69.733%0.33338%0.384SS..EExtended strand (participates in β ladder)trans-131.998.1169.6-170.6-73.8000109.1E54 E55 Y57 Y62 Y66H52-E54 PolarHBondContact O-N 3.46Å; H52-E55 PolarHBondContact N-O 3.2Å; H52-E55 PolarHBondContact O-N 2.92Å; H52-Y57 HydrophobicContact CB-CD2 3.99Å; H52-Y57 HydrophobicContact CB-CE2 3.86Å; H52-Y62 HydrophobicContact CB-CD2 4.36Å; H52-Y62 HydrophobicContact CB-CE2 3.96Å; H52-Y62 AromaticContact CD2-CE2 3.8Å; H52-Y66 HydrophobicContact CB-CD2 4.48Å; H52-Y66 HydrophobicContact CB-CE2 3.84Å; H52-Y66 AromaticContact CD2-CD1 3.63Å; H52-Y66 AromaticContact CD2-CD2 3.77Å; H52-Y66 AromaticContact CD2-CE1 3.45Å; H52-Y66 VanDerWaalsContact CD2-CE1 3.45Å; H52-Y66 WeakPolarHBondContact CD2-CE1 3.4Å; H52-Y66 AromaticContact CD2-CE2 3.59Å; H52-Y66 AromaticContact CD2-CG 3.79Å; H52-Y66 AromaticContact CD2-CZ 3.41Å; H52-Y66 VanDerWaalsContact CD2-CZ 3.41Å; H52-Y66 AromaticContact CE1-CE1 3.39Å; H52-Y66 WeakPolarHBondContact CE1-CE1 3.45Å; H52-Y66 AromaticContact CE1-CZ 3.55Å; H52-Y66 AromaticContact CG-CE1 3.85Å; H52-Y66 AromaticContact CG-CE2 3.54Å; H52-Y66 AromaticContact CG-CZ 3.36Å; H52-Y66 AromaticContact ND1-CE1 3.8Å; H52-Y66 AromaticContact ND1-CZ 3.44Å; H52-Y66 PolarHBondContact ND1-OH 2.8Å; H52-Y66 AromaticContact NE2-CD1 3.45Å; H52-Y66 WeakPolarHBondContact NE2-CD1 3.33Å; H52-Y66 AromaticContact NE2-CE1 3.14Å; H52-Y66 WeakPolarHBondContact NE2-CE1 3.4Å; H52-Y66 AromaticContact NE2-CZ 3.55Å
53G80.5Confident85.2Confident70 Ų7065.4 Ų65.472%0.72238%0.376SS*.THydrogen-bonded Turntrans68.5-120-173.300000111V51V51-G53 WeakPolarHBondContact CG1-O 3.13Å
54E78.1Confident85.1Confident187 Ų18767.3 Ų67.387%0.87438%0.379SS*.THydrogen-bonded Turntrans-943.8-178-128.5172.5107.500113.7H52H52-E54 PolarHBondContact O-N 3.46Å
55E84Confident84.8Confident72 Ų7273.3 Ų73.334%0.33641%0.405SS..EExtended strand (participates in β ladder)trans-118.8144.6-169.9-60.2177.2133.800112.4M38 V51 H52 Y57M38-E55 VanDerWaalsContact CE-OE1 3.29Å; M38-E55 WeakPolarHBondContact CE-OE1 3.41Å; M38-E55 HydrophobicContact SD-CB 4.48Å; M38-E55 HydrophobicContact SD-CG 4.24Å; V51-E55 WeakPolarHBondContact CA-O 3.38Å; H52-E55 PolarHBondContact N-O 3.2Å; H52-E55 PolarHBondContact O-N 2.92Å; E55-Y57 HydrophobicContact CB-CD2 4.41Å; E55-Y57 HydrophobicContact CB-CE2 3.56Å; E55-Y57 PolarHBondContact OE2-OH 3.47Å
56I86.8Confident84.8Confident15 Ų1574.4 Ų74.48%0.07740%0.404CS..EExtended strand (participates in β ladder)trans-105.8131.217960.1170.6000112.5F30 F35 L36 M38 L44 V49 V51F30-I56 HydrophobicContact CE2-CG2 4.48Å; F30-I56 HydrophobicContact CZ-CG2 4.32Å; F35-I56 HydrophobicContact CD2-CD1 3.68Å; F35-I56 HydrophobicContact CE2-CD1 3.99Å; F35-I56 HydrophobicContact CG-CD1 4.38Å; L36-I56 WeakPolarHBondContact O-CD1 3.44Å; L36-I56 WeakPolarHBondContact O-CG1 3.27Å; M38-I56 PolarHBondContact N-O 2.64Å; M38-I56 VanDerWaalsContact N-O 3.11Å; L44-I56 HydrophobicContact CD1-CB 4.31Å; L44-I56 HydrophobicContact CD1-CD1 4.07Å; L44-I56 HydrophobicContact CD1-CG1 4.28Å; V49-I56 HydrophobicContact CG2-CB 4.11Å; V49-I56 HydrophobicContact CG2-CG2 4.2Å; V51-I56 HydrophobicContact CG2-CG2 4.27Å
57Y90.4Very high84.7Confident12 Ų1270.9 Ų70.95%0.04738%0.383CS..EExtended strand (participates in β ladder)trans-125.3159-178.8-62.4-86.9000110.8M38 V39 V49 A50 H52 E55 Y66M38-Y57 HydrophobicContact CB-CE1 4.3Å; V39-Y57 HydrophobicContact CG2-CD1 3.71Å; V39-Y57 HydrophobicContact CG2-CE1 3.61Å; V49-Y57 CarbonylContact C-O 3.49Å; V49-Y57 WeakPolarHBondContact CA-O 3.1Å; A50-Y57 PolarHBondContact N-O 3.03Å; A50-Y57 WeakPolarHBondContact O-CA 3.26Å; A50-Y57 WeakPolarHBondContact O-CB 3.46Å; A50-Y57 PolarHBondContact O-N 3.2Å; H52-Y57 HydrophobicContact CB-CD2 3.99Å; H52-Y57 HydrophobicContact CB-CE2 3.86Å; E55-Y57 HydrophobicContact CB-CD2 4.41Å; E55-Y57 HydrophobicContact CB-CE2 3.56Å; E55-Y57 PolarHBondContact OE2-OH 3.47Å; Y57-Y66 HydrophobicContact CE2-CE2 4.24Å
58C90.6Very high84.3Confident10 Ų1069.8 Ų69.87%0.06838%0.378CS..EExtended strand (participates in β ladder)trans-84153.6165.270.70000110.1C37 C40 L44 T48 S60 C61 Y62C37-C58 HydrophobicContact CB-CB 4.14Å; C37-C58 PolarHBondContact SG-N 3.2Å; C40-C58 VanDerWaalsContact SG-SG 3.63Å; L44-C58 HydrophobicContact CD2-CB 3.39Å; T48-C58 WeakPolarHBondContact O-CA 3.43Å; C58-S60 PolarHBondContact O-N 2.97Å; C58-C61 PolarHBondContact O-N 3.36Å; C58-C61 VanDerWaalsContact SG-CB 3.57Å; C58-C61 PolarHBondContact SG-N 2.88Å; C58-C61 PolarHBondContact SG-SG 2.98Å; C58-Y62 WeakPolarHBondContact O-CB 3.28Å; C58-Y62 PolarHBondContact O-N 2.81Å
59K88.4Confident83.1Confident168 Ų16877.3 Ų77.373%0.7341%0.406SS*.Hα-helixtrans-45.5-41.1175.4-170.3172.6-173.7172.80113.3T48 G63T48-K59 PolarHBondContact O-N 2.89Å; K59-G63 PolarHBondContact O-N 3.4Å
60S87.4Confident81.9Confident76 Ų7679.5 Ų79.553%0.53144%0.435SS..Hα-helixtrans-68.3-40.5178-490000113.4C58 K64C58-S60 PolarHBondContact O-N 2.97Å; S60-K64 WeakPolarHBondContact O-CB 3.5Å; S60-K64 WeakPolarHBondContact O-CE 3.44Å; S60-K64 VanDerWaalsContact O-CG 3.28Å; S60-K64 WeakPolarHBondContact O-CG 2.99Å; S60-K64 PolarHBondContact O-N 3.17Å
61C88.4Confident80.4Confident3 Ų387.7 Ų87.72%0.0246%0.463CS..Hα-helixtrans-77.9-36.8179.7-72.30000111.8V39 C58 K64 K65V39-C61 HydrophobicContact CB-CB 3.97Å; V39-C61 HydrophobicContact CG1-CB 4.28Å; V39-C61 HydrophobicContact CG2-CB 4.26Å; C58-C61 PolarHBondContact O-N 3.36Å; C58-C61 VanDerWaalsContact SG-CB 3.57Å; C58-C61 PolarHBondContact SG-N 2.88Å; C58-C61 PolarHBondContact SG-SG 2.98Å; C61-K64 PolarHBondContact O-N 3.47Å; C61-K64 VanDerWaalsContact O-N 3.16Å; C61-K65 WeakPolarHBondContact O-CG 3.14Å; C61-K65 PolarHBondContact O-N 3.49Å
62Y87.8Confident79Confident88 Ų8889.2 Ų89.235%0.34549%0.486SS..Hα-helixtrans-58.6-50172.3-175.3-92.2000111A50 H52 C58 K64 K65 Y66 G67A50-Y62 HydrophobicContact CB-CD1 4.35Å; A50-Y62 HydrophobicContact CB-CD2 3.86Å; A50-Y62 HydrophobicContact CB-CG 3.73Å; H52-Y62 HydrophobicContact CB-CD2 4.36Å; H52-Y62 HydrophobicContact CB-CE2 3.96Å; H52-Y62 AromaticContact CD2-CE2 3.8Å; C58-Y62 WeakPolarHBondContact O-CB 3.28Å; C58-Y62 PolarHBondContact O-N 2.81Å; Y62-K64 VanDerWaalsContact C-N 3.25Å; Y62-K64 PolarHBondContact O-N 3.38Å; Y62-K65 PolarHBondContact O-N 2.9Å; Y62-K65 VanDerWaalsContact O-N 3.16Å; Y62-Y66 AromaticContact CD2-CD2 3.62Å; Y62-Y66 HydrophobicContact CD2-CD2 3.62Å; Y62-Y66 HydrophobicContact CD2-CE2 4.26Å; Y62-Y66 HydrophobicContact CD2-CG 4.46Å; Y62-Y66 AromaticContact CE2-CD2 3.72Å; Y62-Y66 HydrophobicContact CE2-CD2 3.72Å; Y62-Y66 HydrophobicContact CE2-CE2 4.39Å; Y62-Y66 HydrophobicContact CE2-CG 4.21Å; Y62-Y66 HydrophobicContact CG-CD2 4.27Å; Y62-Y66 PolarHBondContact O-N 3.02Å; Y62-G67 PolarHBondContact O-N 2.99Å
63G85.1Confident77.8Confident40 Ų4097.2 Ų97.241%0.41252%0.515SS..Hα-helixtrans-62.3-2917500000114K59 G67K59-G63 PolarHBondContact O-N 3.4Å; G63-G67 WeakPolarHBondContact O-CA 3.45Å; G63-G67 PolarHBondContact O-N 3.03Å; G63-G67 VanDerWaalsContact O-N 3.08Å
64K84.5Confident76.7Confident152 Ų15296.6 Ų96.666%0.66151%0.508SS*.Hα-helixtrans-76.1-31.3175.2-78.6179.8-78174.80113.5S60 C61 Y62S60-K64 WeakPolarHBondContact O-CB 3.5Å; S60-K64 WeakPolarHBondContact O-CE 3.44Å; S60-K64 VanDerWaalsContact O-CG 3.28Å; S60-K64 WeakPolarHBondContact O-CG 2.99Å; S60-K64 PolarHBondContact O-N 3.17Å; C61-K64 PolarHBondContact O-N 3.47Å; C61-K64 VanDerWaalsContact O-N 3.16Å; Y62-K64 VanDerWaalsContact C-N 3.25Å; Y62-K64 PolarHBondContact O-N 3.38Å
65K80.1Confident75.5Confident140 Ų14097.8 Ų97.861%0.60951%0.514SS*.Hα-helixtrans-94.6-43.3-176.2-68.5-70.7-67.2-173.90112.9C61 Y62C61-K65 WeakPolarHBondContact O-CG 3.14Å; C61-K65 PolarHBondContact O-N 3.49Å; Y62-K65 PolarHBondContact O-N 2.9Å; Y62-K65 VanDerWaalsContact O-N 3.16Å
66Y83.5Confident73.8Confident93 Ų9396.9 Ų96.937%0.36552%0.524SS..THydrogen-bonded Turntrans-113.5-8.8-176.2-57.7-75.8000113.5H52 Y57 Y62H52-Y66 HydrophobicContact CB-CD2 4.48Å; H52-Y66 HydrophobicContact CB-CE2 3.84Å; H52-Y66 AromaticContact CD2-CD1 3.63Å; H52-Y66 AromaticContact CD2-CD2 3.77Å; H52-Y66 AromaticContact CD2-CE1 3.45Å; H52-Y66 VanDerWaalsContact CD2-CE1 3.45Å; H52-Y66 WeakPolarHBondContact CD2-CE1 3.4Å; H52-Y66 AromaticContact CD2-CE2 3.59Å; H52-Y66 AromaticContact CD2-CG 3.79Å; H52-Y66 AromaticContact CD2-CZ 3.41Å; H52-Y66 VanDerWaalsContact CD2-CZ 3.41Å; H52-Y66 AromaticContact CE1-CE1 3.39Å; H52-Y66 WeakPolarHBondContact CE1-CE1 3.45Å; H52-Y66 AromaticContact CE1-CZ 3.55Å; H52-Y66 AromaticContact CG-CE1 3.85Å; H52-Y66 AromaticContact CG-CE2 3.54Å; H52-Y66 AromaticContact CG-CZ 3.36Å; H52-Y66 AromaticContact ND1-CE1 3.8Å; H52-Y66 AromaticContact ND1-CZ 3.44Å; H52-Y66 PolarHBondContact ND1-OH 2.8Å; H52-Y66 AromaticContact NE2-CD1 3.45Å; H52-Y66 WeakPolarHBondContact NE2-CD1 3.33Å; H52-Y66 AromaticContact NE2-CE1 3.14Å; H52-Y66 WeakPolarHBondContact NE2-CE1 3.4Å; H52-Y66 AromaticContact NE2-CZ 3.55Å; Y57-Y66 HydrophobicContact CE2-CE2 4.24Å; Y62-Y66 AromaticContact CD2-CD2 3.62Å; Y62-Y66 HydrophobicContact CD2-CD2 3.62Å; Y62-Y66 HydrophobicContact CD2-CE2 4.26Å; Y62-Y66 HydrophobicContact CD2-CG 4.46Å; Y62-Y66 AromaticContact CE2-CD2 3.72Å; Y62-Y66 HydrophobicContact CE2-CD2 3.72Å; Y62-Y66 HydrophobicContact CE2-CE2 4.39Å; Y62-Y66 HydrophobicContact CE2-CG 4.21Å; Y62-Y66 HydrophobicContact CG-CD2 4.27Å; Y62-Y66 PolarHBondContact O-N 3.02Å
67G76.8Confident72.3Confident20 Ų20101 Ų10121%0.20656%0.56CS.*SBendtrans-66.2161.6172.700000111.9Y62 G63 K69Y62-G67 PolarHBondContact O-N 2.99Å; G63-G67 WeakPolarHBondContact O-CA 3.45Å; G63-G67 PolarHBondContact O-N 3.03Å; G63-G67 VanDerWaalsContact O-N 3.08Å; G67-K69 PolarHBondContact O-N 2.85Å
68P71.9Confident70.6Confident99 Ų99103.9 Ų103.964%0.64359%0.594SS**  trans-53.7107.9-173.722.3-33.6000110.8G70 Y71P68-G70 PolarHBondContact O-N 3.06Å; P68-Y71 PolarHBondContact O-N 2.87Å
69K61.3Low68.7Low214 Ų214109.6 Ų109.693%0.9363%0.629SS**THydrogen-bonded Turntrans-69.870.1179.3-170.5100.4172.9164.90109.6G67G67-K69 PolarHBondContact O-N 2.85Å
70G61.3Low66.9Low79 Ų79108.8 Ų108.881%0.81463%0.631SS**THydrogen-bonded Turntrans157.7-16.3-177.100000115.4P68P68-G70 PolarHBondContact O-N 3.06Å
71Y56.8Low65.5Low194 Ų194109.5 Ų109.576%0.76164%0.637SS**SBendtrans-110.296.7175-140.893.9000109.1P68 Y73P68-Y71 PolarHBondContact O-N 2.87Å; Y71-Y73 PolarHBondContact O-N 3.37Å
72G53.3Low64.3Low70 Ų70114.8 Ų114.872%0.72267%0.669SS**  trans-60.1101.6-17000000113.8G74G72-G74 PolarHBondContact O-N 3.19Å
73Y57.2Low62.5Low239 Ų239116.5 Ų116.594%0.93768%0.684SS**  trans-80.232.3157.6-114.3-87.3000112Y71Y71-Y73 PolarHBondContact O-N 3.37Å
74G57.7Low61.2Low57 Ų57122.9 Ų122.959%0.58870%0.7SS**  trans-129.484174.800000107.9G72 G76G72-G74 PolarHBondContact O-N 3.19Å; G74-G76 PolarHBondContact O-N 2.91Å
75Q51.8Low59.7Low213 Ų213117.5 Ų117.5100%0.99569%0.688SS**  trans-71.376.2173.7-166.1-168.8-21.800108.5
76G48.6Very low58.5Low53 Ų53119.6 Ų119.655%0.54670%0.7SS.*  trans160.7124.9174.100000113.8G74 G78G74-G76 PolarHBondContact O-N 2.91Å; G76-G78 PolarHBondContact O-N 2.72Å
77A55.3Low57.3Low100 Ų100120.3 Ų120.383%0.82672%0.719SS**THydrogen-bonded Turntrans-66.712.2175.700000115
78G55.8Low56.4Low74 Ų74125.8 Ų125.876%0.76374%0.742SS**THydrogen-bonded Turntrans-96.7-4.3-167.800000116.7G76G76-G78 PolarHBondContact O-N 2.72Å
79T49.1Very low55.2Low130 Ų130124.2 Ų124.280%0.79875%0.745SS**  trans-128.937-178.3820000113.1S81T79-S81 PolarHBondContact O-N 3.4Å
80L51.7Low54.7Low150 Ų150119.9 Ų119.979%0.78573%0.73SS**  trans-70.870.8162-80.5165.9000108.9T82L80-T82 VanDerWaalsContact C-N 3.3Å; L80-T82 PolarHBondContact O-N 2.97Å; L80-T82 VanDerWaalsContact O-N 3.1Å
81S57.4Low53.5Low92 Ų92125.7 Ų125.764%0.64373%0.733SS**  trans-69.999.4153.8-1720000105.9T79 D83T79-S81 PolarHBondContact O-N 3.4Å; S81-D83 PolarHBondContact O-N 2.95Å; S81-D83 PolarHBondContact OG-OD1 2.82Å
82T62.8Low53.4Low114 Ų114125 Ų12570%0.69974%0.736SS**  trans-83.866.5159.4-61.90000106.9L80 K84L80-T82 VanDerWaalsContact C-N 3.3Å; L80-T82 PolarHBondContact O-N 2.97Å; L80-T82 VanDerWaalsContact O-N 3.1Å; T82-K84 HydrophobicContact CG2-CB 4.24Å; T82-K84 PolarHBondContact O-N 2.98Å; T82-K84 VanDerWaalsContact O-N 3.13Å
83D51.7Low53.1Low123 Ų123131 Ų13166%0.65875%0.745SS**  trans-80.981.215169.7-73.3000106.1S81 G85S81-D83 PolarHBondContact O-N 2.95Å; S81-D83 PolarHBondContact OG-OD1 2.82Å; D83-G85 VanDerWaalsContact C-N 3.28Å; D83-G85 PolarHBondContact O-N 3.17Å
84K56.1Low52.4Low174 Ų174128.5 Ų128.576%0.75774%0.742SS**  trans-55.7104.6154.8-176152.8174.8169.60104.2T82 E86T82-K84 HydrophobicContact CG2-CB 4.24Å; T82-K84 PolarHBondContact O-N 2.98Å; T82-K84 VanDerWaalsContact O-N 3.13Å; K84-E86 PolarHBondContact O-N 2.76Å
85G53.8Low51.5Low39 Ų39130 Ų13040%0.40275%0.75SS.*  trans-6366.5-170.900000113.9D83 S87 L88D83-G85 VanDerWaalsContact C-N 3.28Å; D83-G85 PolarHBondContact O-N 3.17Å; G85-S87 PolarHBondContact O-N 2.93Å; G85-L88 PolarHBondContact O-N 3.29Å
86E55.9Low51.3Low184 Ų184125.3 Ų125.386%0.8674%0.738SS**G310 helixtrans-62.3-19.8173.5-156.8155.492.300111.2K84 L88K84-E86 PolarHBondContact O-N 2.76Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 2.91Å
87S58.3Low50.8Low108 Ų108126.1 Ų126.176%0.75575%0.746SS**G310 helixtrans-75.8-9.5178.849.80000115.4G85G85-S87 PolarHBondContact O-N 2.93Å
88L57.7Low50.5Low135 Ų135130.5 Ų130.571%0.70775%0.749SS**G310 helixtrans-117.312.7-176.8-66.1177.9000115.2G85 E86 I90G85-L88 PolarHBondContact O-N 3.29Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 2.91Å; L88-I90 HydrophobicContact CB-CD1 3.52Å; L88-I90 WeakPolarHBondContact O-CD1 3.39Å; L88-I90 PolarHBondContact O-N 3.16Å
89G45.9Very low49.9Very low67 Ų67136.9 Ų136.969%0.69175%0.75SS**  trans58.322.3163.100000115.9K91G89-K91 VanDerWaalsContact C-N 3.29Å; G89-K91 PolarHBondContact O-N 3.39Å
90I49.6Very low50Low123 Ų123135.4 Ų135.463%0.63174%0.742SS**  trans-73.289.3175.3-56.9102.1000107.9L88 H92L88-I90 HydrophobicContact CB-CD1 3.52Å; L88-I90 WeakPolarHBondContact O-CD1 3.39Å; L88-I90 PolarHBondContact O-N 3.16Å; I90-H92 PolarHBondContact O-N 3.5Å
91K37.8Very low49.9Very low200 Ų200134.4 Ų134.487%0.8774%0.743SS**  trans-55.7106.7163.7-83.7179158.9178.60107.8G89 E93G89-K91 VanDerWaalsContact C-N 3.29Å; G89-K91 PolarHBondContact O-N 3.39Å; K91-E93 PolarHBondContact O-N 2.87Å; K91-E93 VanDerWaalsContact O-N 3.08Å
92H54.5Low49.4Very low179 Ų179134.4 Ų134.483%0.82974%0.739SS**  trans-64.3105.7163.3-90.6-105.6000107.2I90 E94I90-H92 PolarHBondContact O-N 3.5Å; H92-E94 PolarHBondContact O-N 3.08Å
93E45.4Very low48.7Very low196 Ų196134.6 Ų134.692%0.91674%0.736SS**  trans-69.6114.5164.9-161.1150.485.100107.5K91 A95K91-E93 PolarHBondContact O-N 2.87Å; K91-E93 VanDerWaalsContact O-N 3.08Å; E93-A95 PolarHBondContact O-N 3.1Å; E93-A95 VanDerWaalsContact O-N 3.16Å
94E43.4Very low48.7Very low187 Ų187133.7 Ų133.787%0.87474%0.737SS**  trans-77.989.9-168-168.917294.300109.7H92H92-E94 PolarHBondContact O-N 3.08Å
95A39.1Very low48Very low90 Ų90131.2 Ų131.274%0.74473%0.732SS**  trans-94140.6158.800000109E93E93-A95 PolarHBondContact O-N 3.1Å; E93-A95 VanDerWaalsContact O-N 3.16Å
96P46.4Very low47.7Very low114 Ų114133 Ų13374%0.7474%0.743SS**  -71.3146.8-121.329.8-34.6000111.2H98P96-H98 PolarHBondContact O-N 3.29Å
97G40Very low47.3Very low70 Ų70129.7 Ų129.772%0.72274%0.74SS**  trans-37.2112.3176.500000111.3R99G97-R99 PolarHBondContact O-N 3.13Å
98H48.6Very low47.1Very low192 Ų192132.6 Ų132.689%0.88974%0.739SS**  trans-60.690.4148.1-102.1-84.9000104.8P96 P100P96-H98 PolarHBondContact O-N 3.29Å; H98-P100 VanDerWaalsContact O-N 3.15Å
99R43.4Very low46.5Very low208 Ų208135.4 Ų135.479%0.78575%0.746SS**  trans-33.2123.4158.8-168.1-177.3-172.1-147.23.2104.6G97 T101G97-R99 PolarHBondContact O-N 3.13Å; R99-T101 PolarHBondContact O-N 3.08Å
100P49.7Very low46.6Very low98 Ų98136.4 Ų136.464%0.63675%0.748SS**  trans-48.2125.2164.621.6-30.1000103.7H98 T102H98-P100 VanDerWaalsContact O-N 3.15Å; P100-T102 PolarHBondContact O-N 3.26Å
101T51.2Low46.8Very low129 Ų129136.8 Ų136.879%0.79175%0.747SS**  trans-65.873156.9-1720000104.2R99 N103R99-T101 PolarHBondContact O-N 3.08Å; T101-N103 PolarHBondContact O-N 3.05Å
102T47.1Very low47.8Very low92 Ų92135.8 Ų135.856%0.56474%0.743SS**  trans-58.185.6145.8-179.60000101P100 P104P100-T102 PolarHBondContact O-N 3.26Å; T102-P104 WeakPolarHBondContact O-CD 3.15Å
103N48Very low48Very low119 Ų119135.2 Ų135.264%0.63674%0.744SS**  trans-59.697.4162.4-165.819.5000101.9T101 N105T101-N103 PolarHBondContact O-N 3.05Å; N103-N105 PolarHBondContact O-N 3.2Å; N103-N105 VanDerWaalsContact O-N 3.17Å
104P50.3Low48Very low104 Ų104128.8 Ų128.868%0.67573%0.73SS**  trans-66.9126171.630-21.7000103.2T102T102-P104 WeakPolarHBondContact O-CD 3.15Å
105N42.6Very low48.6Very low121 Ų121123.7 Ų123.765%0.64773%0.728SS**  trans93.491.1178.3-147.8-10.2000113N103N103-N105 PolarHBondContact O-N 3.2Å; N103-N105 VanDerWaalsContact O-N 3.17Å
106A46.7Very low49.7Very low78 Ų78122.5 Ų122.565%0.64571%0.714SS**SBend-148.331.895.700000115K108A106-K108 PolarHBondContact O-N 3.04Å; A106-K108 VanDerWaalsContact O-N 3.15Å
107S48.2Very low50.9Low114 Ų114120.9 Ų120.980%0.79770%0.697SS**THydrogen-bonded Turntrans-72.711.8165.4-62.60000114
108K52.5Low52.9Low168 Ų168124.9 Ų124.973%0.7369%0.69SS**THydrogen-bonded Turntrans-1414.1-174.4-134.3173.1169.1175.10118.5A106A106-K108 PolarHBondContact O-N 3.04Å; A106-K108 VanDerWaalsContact O-N 3.15Å
109F46.4Very low54.6Low194 Ų194115.8 Ų115.885%0.85165%0.648SS**THydrogen-bonded Turntrans-129.30.1174-130.1-93.9000117.3
110A48.5Very low56.4Low89 Ų89109.1 Ų109.174%0.73663%0.632SS**SBendtrans-105.111.4167.100000113.3K112A110-K112 PolarHBondContact O-N 2.79Å
111Q53.4Low57.8Low130 Ų130111.5 Ų111.561%0.60763%0.628SS**SBendtrans-76.556.8161.9-66.1178.2-46.100110.1
112K58.9Low59.4Low180 Ų180107.4 Ų107.478%0.78360%0.604SS**SBendtrans-171.4125.7162.5-115.8172.4177.4-171.60109.1A110A110-K112 PolarHBondContact O-N 2.79Å
113I57.6Low60.8Low167 Ų167107.3 Ų107.386%0.85661%0.607SS**SBendtrans85.847.8164.8-31.8-54.7000117.7
114G46Very low62.3Low60 Ų60107.4 Ų107.462%0.61960%0.604SS**SBendtrans-172.3114.3159.800000111.9S116G114-S116 PolarHBondContact O-N 3.16Å; G114-S116 PolarHBondContact O-OG 3.27Å
115G55.3Low63.8Low81 Ų81104 Ų10484%0.83558%0.584SS**  trans-60.272-172.600000114.8E117G115-E117 PolarHBondContact O-N 2.95Å
116S62.9Low65.5Low65 Ų6598.7 Ų98.746%0.45556%0.557SS.*  trans-80.174.2168.146.90000108.6G114 R118G114-S116 PolarHBondContact O-N 3.16Å; G114-S116 PolarHBondContact O-OG 3.27Å; S116-R118 WeakPolarHBondContact O-CG 3.39Å; S116-R118 PolarHBondContact O-N 3.16Å; S116-R118 VanDerWaalsContact O-N 3.12Å
117E72.6Confident67.2Low79 Ų79103.5 Ų103.537%0.36956%0.559SS.*  trans-18109.6150.7-69.4-7288.400111.4G115 V126 K131 S138G115-E117 PolarHBondContact O-N 2.95Å; E117-V126 WeakPolarHBondContact O-CB 3.49Å; E117-V126 PolarHBondContact O-N 2.87Å; E117-K131 VanDerWaalsContact OE2-CE 3.26Å; E117-K131 WeakPolarHBondContact OE2-CE 3.46Å; E117-K131 IonicContact OE2-NZ 2.83Å; E117-K131 PolarHBondContact OE2-NZ 3.47Å; E117-S138 WeakPolarHBondContact CA-OG 3.26Å; E117-S138 VanDerWaalsContact CB-OG 3.22Å; E117-S138 WeakPolarHBondContact CB-OG 3.5Å
118R81.2Confident68.5Low155 Ų155102.7 Ų102.759%0.58556%0.56SS**BIsolated β-bridgetrans-105.9140.3-175.5-59.3-169.9-177.2139.81.5110.9S116 S138S116-R118 WeakPolarHBondContact O-CG 3.39Å; S116-R118 PolarHBondContact O-N 3.16Å; S116-R118 VanDerWaalsContact O-N 3.12Å; R118-S138 PolarHBondContact N-OG 2.93Å; R118-S138 VanDerWaalsContact O-O 3.14Å; R118-S138 PolarHBondContact O-OG 3.4Å
119C84.4Confident69.8Low0 Ų099.6 Ų99.60%057%0.565CS.*  trans-79.6125.6173.8-177.20000110.1R121 C122 S123 Q124 V126 S138 H140 C143C119-R121 PolarHBondContact O-N 2.93Å; C119-R121 PolarHBondContact SG-N 2.68Å; C119-C122 VanDerWaalsContact CB-SG 3.58Å; C119-S123 WeakPolarHBondContact O-CA 3.49Å; C119-S123 PolarHBondContact O-N 2.97Å; C119-Q124 PolarHBondContact N-O 3.24Å; C119-V126 HydrophobicContact CB-CG2 3.65Å; C119-S138 WeakPolarHBondContact CA-O 3.11Å; C119-H140 VanDerWaalsContact CB-CE1 3.48Å; C119-H140 WeakPolarHBondContact CB-CE1 3.49Å; C119-H140 VanDerWaalsContact CB-ND1 3.25Å; C119-H140 WeakPolarHBondContact CB-ND1 3.47Å; C119-C143 WeakPolarHBondContact SG-CB 3.13Å
120P80.3Confident71.2Confident69 Ų6994.4 Ų94.445%0.44854%0.544SS..THydrogen-bonded Turntrans-69.9-14.8177.929.3-36.4000113.4K137 W139P120-K137 HydrophobicContact CG-CD 4.4Å; P120-W139 HydrophobicContact CB-CH2 4.45Å; P120-W139 HydrophobicContact CG-CD2 4.05Å; P120-W139 HydrophobicContact CG-CE3 3.91Å; P120-W139 HydrophobicContact CG-CH2 3.3Å; P120-W139 HydrophobicContact CG-CZ2 3.43Å; P120-W139 VanDerWaalsContact CG-CZ2 3.43Å; P120-W139 HydrophobicContact CG-CZ3 3.56Å
121R80Confident72.7Confident147 Ų14794 Ų9456%0.55553%0.525SS*.THydrogen-bonded Turntrans-81.3-43.4179.8-173.6117.6-84.5-145.9-4.1113C119 W139 C143C119-R121 PolarHBondContact O-N 2.93Å; C119-R121 PolarHBondContact SG-N 2.68Å; R121-W139 HydrophobicContact CB-CE3 4.37Å; R121-W139 HydrophobicContact CB-CZ3 4.11Å; R121-C143 HydrophobicContact CB-CB 3.99Å; R121-C143 HydrophobicContact CG-CB 4.28Å
122C84Confident74.1Confident43 Ų4389.2 Ų89.229%0.29151%0.505SS..THydrogen-bonded Turntrans-113.3-0.7-177.665.70000113.4C119 Q124 H140C119-C122 VanDerWaalsContact CB-SG 3.58Å; C122-Q124 HydrophobicContact CB-CG 4.4Å; C122-Q124 WeakPolarHBondContact O-CG 3.47Å; C122-Q124 PolarHBondContact O-N 3.35Å; C122-H140 PolarHBondContact SG-CE1 2.59Å; C122-H140 PolarHBondContact SG-ND1 3.23Å
123S77.6Confident75.2Confident91 Ų9185.6 Ų85.664%0.63649%0.493SS*.  trans53.710.6-17561.30000115.6C119C119-S123 WeakPolarHBondContact O-CA 3.49Å; C119-S123 PolarHBondContact O-N 2.97Å
124Q79.4Confident76.1Confident120 Ų12077.9 Ų77.956%0.56146%0.455SS*.  trans-87.2155.7177.4-60.8-53.9-61.900112C119 C122C119-Q124 PolarHBondContact N-O 3.24Å; C122-Q124 HydrophobicContact CB-CG 4.4Å; C122-Q124 WeakPolarHBondContact O-CG 3.47Å; C122-Q124 PolarHBondContact O-N 3.35Å
125A81.7Confident77.3Confident32 Ų3276.7 Ų76.726%0.26444%0.439SS..BIsolated β-bridgetrans-63136171.900000110.8H140A125-H140 PolarHBondContact O-NE2 3.05Å
126V78.5Confident78.3Confident11 Ų1176.6 Ų76.67%0.06744%0.438CS..  trans-95.7105.2177.8-173.80000108E117 C119 K131 W139E117-V126 WeakPolarHBondContact O-CB 3.49Å; E117-V126 PolarHBondContact O-N 2.87Å; C119-V126 HydrophobicContact CB-CG2 3.65Å; V126-K131 HydrophobicContact CG1-CB 3.64Å; V126-K131 HydrophobicContact CG1-CG 3.92Å; V126-W139 WeakPolarHBondContact CG1-O 3.48Å
127Y82.1Confident79.2Confident178 Ų17878.7 Ų78.770%0.69844%0.439SS*.  trans-72.6153.3175-68.4-82000111A129 E130 K131Y127-A129 PolarHBondContact O-N 3.26Å; Y127-E130 PolarHBondContact O-N 3.03Å; Y127-K131 PolarHBondContact O-N 2.9Å; Y127-K131 VanDerWaalsContact O-N 3.09Å
128A76.4Confident79.8Confident98 Ų9875.1 Ų75.181%0.8142%0.423SS*.THydrogen-bonded Turntrans-52.2-29.6-178.100000113.9E130A128-E130 PolarHBondContact O-N 2.77Å
129A78Confident80.1Confident102 Ų10268 Ų6884%0.84340%0.396SS*.THydrogen-bonded Turntrans-67.8-29.9179.500000114.5Y127Y127-A129 PolarHBondContact O-N 3.26Å
130E76.7Confident80.1Confident86 Ų8669 Ų6940%0.40240%0.4SS..THydrogen-bonded Turntrans-1197.6-179.1-66.8-139.910900113.1Y127 A128 V132 W139 H140 K141Y127-E130 PolarHBondContact O-N 3.03Å; A128-E130 PolarHBondContact O-N 2.77Å; E130-V132 PolarHBondContact O-N 2.83Å; E130-W139 VanDerWaalsContact O-O 3.13Å; E130-H140 CarbonylContact O-C 3.54Å; E130-H140 WeakPolarHBondContact O-CA 3.23Å; E130-K141 PolarHBondContact O-N 3.36Å
131K79.9Confident80.2Confident79 Ų7972 Ų7234%0.34341%0.407SS..EExtended strand (participates in β ladder)trans-69.7112.5-177.1-174.4-178.1176.1177.70110.9E117 V126 Y127E117-K131 VanDerWaalsContact OE2-CE 3.26Å; E117-K131 WeakPolarHBondContact OE2-CE 3.46Å; E117-K131 IonicContact OE2-NZ 2.83Å; E117-K131 PolarHBondContact OE2-NZ 3.47Å; V126-K131 HydrophobicContact CG1-CB 3.64Å; V126-K131 HydrophobicContact CG1-CG 3.92Å; Y127-K131 PolarHBondContact O-N 2.9Å; Y127-K131 VanDerWaalsContact O-N 3.09Å
132V83.8Confident80.4Confident31 Ų3167.7 Ų67.719%0.18840%0.399CS..EExtended strand (participates in β ladder)trans-110.9137.8161-580000109.3E130 W139 F144E130-V132 PolarHBondContact O-N 2.83Å; V132-W139 HydrophobicContact CG2-CB 3.86Å; V132-W139 WeakPolarHBondContact CG2-O 3.4Å; V132-W139 PolarHBondContact N-O 3.3Å; V132-W139 PolarHBondContact O-N 2.93Å; V132-F144 HydrophobicContact CG2-CB 3.59Å; V132-F144 HydrophobicContact CG2-CD1 3.88Å; V132-F144 HydrophobicContact CG2-CD2 3.55Å; V132-F144 HydrophobicContact CG2-CE1 4.39Å; V132-F144 HydrophobicContact CG2-CE2 4.06Å; V132-F144 HydrophobicContact CG2-CG 3.42Å; V132-F144 VanDerWaalsContact CG2-CG 3.42Å; V132-F144 HydrophobicContact CG2-CZ 4.43Å
133I81.2Confident80.5Confident103 Ų10366.5 Ų66.553%0.52839%0.391SS..EExtended strand (participates in β ladder)trans-99.3126.5178.2-58.8166.6000107.3
134G76.1Confident80.9Confident6 Ų662.3 Ų62.36%0.06236%0.361CS..EExtended strand (participates in β ladder)trans-154.5142.1173.800000110.3G136 K137 W139G134-G136 PolarHBondContact O-N 2.61Å; G134-K137 PolarHBondContact N-O 2.8Å; G134-K137 PolarHBondContact O-N 3.2Å; G134-W139 PolarHBondContact O-NE1 3.35Å
135A70.8Confident81.3Confident35 Ų3562.8 Ų62.829%0.28936%0.358SS..THydrogen-bonded Turntrans58.828.3-17600000114.3K137 D160A135-K137 PolarHBondContact O-N 3.44Å; A135-K137 VanDerWaalsContact O-N 3.16Å; A135-D160 HydrophobicContact CB-CB 3.21Å
136G77.3Confident81.6Confident78 Ų7861.3 Ų61.380%0.80435%0.346SS*.THydrogen-bonded Turntrans67.89.6-173.100000115G134G134-G136 PolarHBondContact O-N 2.61Å
137K82Confident81.9Confident109 Ų10962.6 Ų62.647%0.47436%0.357SS..EExtended strand (participates in β ladder)trans-120156.4176.2-65.3176-172.6-74.40110.7P120 G134 A135 W139P120-K137 HydrophobicContact CG-CD 4.4Å; G134-K137 PolarHBondContact N-O 2.8Å; G134-K137 PolarHBondContact O-N 3.2Å; A135-K137 PolarHBondContact O-N 3.44Å; A135-K137 VanDerWaalsContact O-N 3.16Å; K137-W139 PolarHBondContact O-NE1 3.38Å
138S84.4Confident82.1Confident4 Ų460.3 Ų60.33%0.02835%0.351CS..EExtended strand (participates in β ladder)trans-88.313617451.70000112E117 R118 C119E117-S138 WeakPolarHBondContact CA-OG 3.26Å; E117-S138 VanDerWaalsContact CB-OG 3.22Å; E117-S138 WeakPolarHBondContact CB-OG 3.5Å; R118-S138 PolarHBondContact N-OG 2.93Å; R118-S138 VanDerWaalsContact O-O 3.14Å; R118-S138 PolarHBondContact O-OG 3.4Å; C119-S138 WeakPolarHBondContact CA-O 3.11Å
139W86.8Confident82.6Confident7 Ų758.9 Ų58.93%0.02733%0.334CS..EExtended strand (participates in β ladder)trans-132.4155178.6-54.876.6000110.1P120 R121 V126 E130 V132 G134 K137 F144 I165P120-W139 HydrophobicContact CB-CH2 4.45Å; P120-W139 HydrophobicContact CG-CD2 4.05Å; P120-W139 HydrophobicContact CG-CE3 3.91Å; P120-W139 HydrophobicContact CG-CH2 3.3Å; P120-W139 HydrophobicContact CG-CZ2 3.43Å; P120-W139 VanDerWaalsContact CG-CZ2 3.43Å; P120-W139 HydrophobicContact CG-CZ3 3.56Å; R121-W139 HydrophobicContact CB-CE3 4.37Å; R121-W139 HydrophobicContact CB-CZ3 4.11Å; V126-W139 WeakPolarHBondContact CG1-O 3.48Å; E130-W139 VanDerWaalsContact O-O 3.13Å; V132-W139 HydrophobicContact CG2-CB 3.86Å; V132-W139 WeakPolarHBondContact CG2-O 3.4Å; V132-W139 PolarHBondContact N-O 3.3Å; V132-W139 PolarHBondContact O-N 2.93Å; G134-W139 PolarHBondContact O-NE1 3.35Å; K137-W139 PolarHBondContact O-NE1 3.38Å; W139-F144 HydrophobicContact CB-CB 4.32Å; W139-F144 HydrophobicContact CB-CD2 3.56Å; W139-F144 HydrophobicContact CB-CE2 4.3Å; W139-F144 HydrophobicContact CB-CG 4.38Å; W139-F144 AromaticContact CD1-CD2 3.81Å; W139-F144 AromaticContact CD1-CE2 3.72Å; W139-F144 HydrophobicContact CD2-CD2 4.08Å; W139-F144 AromaticContact CG-CD2 3.55Å; W139-F144 HydrophobicContact CG-CD2 3.55Å; W139-F144 AromaticContact CG-CE2 3.96Å; W139-F144 HydrophobicContact CG-CE2 3.96Å; W139-I165 HydrophobicContact CD2-CD1 4.4Å; W139-I165 HydrophobicContact CE3-CD1 4.22Å; W139-I165 HydrophobicContact CH2-CD1 4.47Å; W139-I165 HydrophobicContact CH2-CG1 4.26Å; W139-I165 HydrophobicContact CH2-CG2 4.13Å; W139-I165 HydrophobicContact CZ2-CG2 3.71Å; W139-I165 HydrophobicContact CZ3-CD1 4.24Å; W139-I165 HydrophobicContact CZ3-CG1 4.37Å
140H86.3Confident82.9Confident19 Ų1956.2 Ų56.29%0.08832%0.316CS..EExtended strand (participates in β ladder)trans-73.7146.2165.4-5595.6000110.1C119 C122 A125 E130 S142 C143 F144C119-H140 VanDerWaalsContact CB-CE1 3.48Å; C119-H140 WeakPolarHBondContact CB-CE1 3.49Å; C119-H140 VanDerWaalsContact CB-ND1 3.25Å; C119-H140 WeakPolarHBondContact CB-ND1 3.47Å; C122-H140 PolarHBondContact SG-CE1 2.59Å; C122-H140 PolarHBondContact SG-ND1 3.23Å; A125-H140 PolarHBondContact O-NE2 3.05Å; E130-H140 CarbonylContact O-C 3.54Å; E130-H140 WeakPolarHBondContact O-CA 3.23Å; H140-S142 PolarHBondContact O-N 3.03Å; H140-S142 VanDerWaalsContact O-N 3.1Å; H140-C143 HydrophobicContact CB-CB 3.98Å; H140-C143 CarbonylContact O-C 3.55Å; H140-C143 WeakPolarHBondContact O-CA 3.35Å; H140-C143 PolarHBondContact O-N 2.81Å; H140-F144 WeakPolarHBondContact O-CB 3.29Å; H140-F144 PolarHBondContact O-N 2.96Å
141K82.3Confident83.2Confident134 Ų13459 Ų5958%0.58333%0.327SS*.THydrogen-bonded Turntrans-48.8-37.1170.1-163.5-178.1-149.8-670112.4E130E130-K141 PolarHBondContact O-N 3.36Å
142S82.9Confident83.3Confident56 Ų5657.5 Ų57.539%0.39233%0.334SS..THydrogen-bonded Turntrans-73.8-33176.156.60000114.1H140 R145H140-S142 PolarHBondContact O-N 3.03Å; H140-S142 VanDerWaalsContact O-N 3.1Å; S142-R145 WeakPolarHBondContact O-CD 3.4Å; S142-R145 PolarHBondContact O-NE 3.15Å
143C86.1Confident83Confident18 Ų1856.9 Ų56.912%0.12233%0.33CS..THydrogen-bonded Turntrans-86.1-15.8179.9-69.40000113.5C119 R121 H140 R145C119-C143 WeakPolarHBondContact SG-CB 3.13Å; R121-C143 HydrophobicContact CB-CB 3.99Å; R121-C143 HydrophobicContact CG-CB 4.28Å; H140-C143 HydrophobicContact CB-CB 3.98Å; H140-C143 CarbonylContact O-C 3.55Å; H140-C143 WeakPolarHBondContact O-CA 3.35Å; H140-C143 PolarHBondContact O-N 2.81Å; C143-R145 PolarHBondContact O-N 2.95Å
144F86.8Confident82.7Confident2 Ų258.2 Ų58.21%0.00933%0.334CS..  trans-77.467.5-178-155-116.2000111.7V132 W139 H140 L153 L158 I165V132-F144 HydrophobicContact CG2-CB 3.59Å; V132-F144 HydrophobicContact CG2-CD1 3.88Å; V132-F144 HydrophobicContact CG2-CD2 3.55Å; V132-F144 HydrophobicContact CG2-CE1 4.39Å; V132-F144 HydrophobicContact CG2-CE2 4.06Å; V132-F144 HydrophobicContact CG2-CG 3.42Å; V132-F144 VanDerWaalsContact CG2-CG 3.42Å; V132-F144 HydrophobicContact CG2-CZ 4.43Å; W139-F144 HydrophobicContact CB-CB 4.32Å; W139-F144 HydrophobicContact CB-CD2 3.56Å; W139-F144 HydrophobicContact CB-CE2 4.3Å; W139-F144 HydrophobicContact CB-CG 4.38Å; W139-F144 AromaticContact CD1-CD2 3.81Å; W139-F144 AromaticContact CD1-CE2 3.72Å; W139-F144 HydrophobicContact CD2-CD2 4.08Å; W139-F144 AromaticContact CG-CD2 3.55Å; W139-F144 HydrophobicContact CG-CD2 3.55Å; W139-F144 AromaticContact CG-CE2 3.96Å; W139-F144 HydrophobicContact CG-CE2 3.96Å; H140-F144 WeakPolarHBondContact O-CB 3.29Å; H140-F144 PolarHBondContact O-N 2.96Å; F144-L153 HydrophobicContact CD1-CB 4.04Å; F144-L153 VanDerWaalsContact CD1-O 3.28Å; F144-L153 WeakPolarHBondContact CD1-O 3.36Å; F144-L153 HydrophobicContact CE1-CB 4.11Å; F144-L153 PolarHBondContact O-N 2.86Å; F144-L158 HydrophobicContact CE1-CD2 3.85Å; F144-L158 HydrophobicContact CE2-CD1 4.09Å; F144-L158 HydrophobicContact CZ-CB 4.42Å; F144-L158 HydrophobicContact CZ-CD1 3.65Å; F144-L158 HydrophobicContact CZ-CD2 3.44Å; F144-L158 VanDerWaalsContact CZ-CD2 3.44Å; F144-L158 HydrophobicContact CZ-CG 4.01Å; F144-I165 HydrophobicContact CB-CD1 4.48Å; F144-I165 HydrophobicContact CD2-CD1 3.49Å; F144-I165 VanDerWaalsContact CD2-CD1 3.49Å; F144-I165 HydrophobicContact CE2-CD1 3.9Å; F144-I165 HydrophobicContact CG-CD1 3.97Å
145R87.6Confident82.3Confident130 Ų13061.5 Ų61.549%0.49136%0.356SS..BIsolated β-bridgetrans-125.5142.7-175.6-67.7177.2-179.9165.73.2110.7S142 C143 A147 G150 K151 I165S142-R145 WeakPolarHBondContact O-CD 3.4Å; S142-R145 PolarHBondContact O-NE 3.15Å; C143-R145 PolarHBondContact O-N 2.95Å; R145-A147 PolarHBondContact O-N 2.94Å; R145-G150 WeakPolarHBondContact CD-O 3.31Å; R145-K151 WeakPolarHBondContact CA-O 3.41Å; R145-I165 WeakPolarHBondContact O-CG1 3.01Å
146C88.7Confident82.3Confident2 Ų265.9 Ų65.91%0.01438%0.379CS..  trans-56.5129.1175.2-179.40000111.1K148 C149 G150 K151 L153 I165 C167C146-K148 PolarHBondContact O-N 3.11Å; C146-K148 PolarHBondContact SG-N 3.18Å; C146-C149 WeakPolarHBondContact CB-SG 3.46Å; C146-C149 PolarHBondContact SG-SG 3.43Å; C146-G150 VanDerWaalsContact O-CA 3.26Å; C146-G150 WeakPolarHBondContact O-CA 3.37Å; C146-G150 PolarHBondContact O-N 3.46Å; C146-K151 PolarHBondContact N-O 2.84Å; C146-L153 HydrophobicContact CB-CD1 4.03Å; C146-L153 HydrophobicContact CB-CG 4.44Å; C146-I165 WeakPolarHBondContact CA-O 3.46Å; C146-C167 HydrophobicContact CB-CB 4.23Å; C146-C167 PolarHBondContact SG-N 3.18Å; C146-C167 VanDerWaalsContact SG-N 3.4Å
147A84.5Confident82Confident37 Ų3765.8 Ų65.831%0.30636%0.363SS..THydrogen-bonded Turntrans-61-26.4178.200000113.5R145 E164 I165 Y166R145-A147 PolarHBondContact O-N 2.94Å; A147-E164 HydrophobicContact CB-CB 4.31Å; A147-I165 PolarHBondContact N-O 2.84Å; A147-Y166 HydrophobicContact CB-CE1 4.36Å
148K85.1Confident81.8Confident130 Ų13062.4 Ų62.457%0.56535%0.35SS*.THydrogen-bonded Turntrans-91.9-45.8-177.2-66.9-70.9-176.7178.10114.2C146 Y166 C170C146-K148 PolarHBondContact O-N 3.11Å; C146-K148 PolarHBondContact SG-N 3.18Å; K148-Y166 HydrophobicContact CD-CE1 4.32Å; K148-Y166 HydrophobicContact CG-CD1 3.75Å; K148-Y166 HydrophobicContact CG-CE1 3.54Å; K148-C170 HydrophobicContact CB-CB 4.29Å
149C88Confident81.8Confident69 Ų6963.1 Ų63.147%0.46636%0.356SS..THydrogen-bonded Turntrans-107.2-5.5-175.264.90000114C146 K151C146-C149 WeakPolarHBondContact CB-SG 3.46Å; C146-C149 PolarHBondContact SG-SG 3.43Å; C149-K151 PolarHBondContact O-N 2.78Å; C149-K151 VanDerWaalsContact SG-CB 3.56Å
150G83.3Confident81.6Confident45 Ų4567 Ų6746%0.46438%0.378SS..  trans66.4-1.6-177.200000114.8R145 C146 G152R145-G150 WeakPolarHBondContact CD-O 3.31Å; C146-G150 VanDerWaalsContact O-CA 3.26Å; C146-G150 WeakPolarHBondContact O-CA 3.37Å; C146-G150 PolarHBondContact O-N 3.46Å; G150-G152 PolarHBondContact O-N 3.31Å
151K83.6Confident81.3Confident144 Ų14469.7 Ų69.763%0.62639%0.389SS*.PPolyproline II helixtrans-62.9130.5178.3178.5173.1-93-168.30109.6R145 C146 C149 L153R145-K151 WeakPolarHBondContact CA-O 3.41Å; C146-K151 PolarHBondContact N-O 2.84Å; C149-K151 PolarHBondContact O-N 2.78Å; C149-K151 VanDerWaalsContact SG-CB 3.56Å; K151-L153 PolarHBondContact O-N 2.85Å
152G82.4Confident81.1Confident48 Ų4869.6 Ų69.650%0.49540%0.395SS..BIsolated β-bridgetrans-58.4126.9169.100000110G150G150-G152 PolarHBondContact O-N 3.31Å
153L76.8Confident80.8Confident19 Ų1969.2 Ų69.210%0.09940%0.399CS..PPolyproline II helixtrans-99.8165.3175.6-63.9169.9000109.6F144 C146 K151 L158 Y166 C167F144-L153 HydrophobicContact CD1-CB 4.04Å; F144-L153 VanDerWaalsContact CD1-O 3.28Å; F144-L153 WeakPolarHBondContact CD1-O 3.36Å; F144-L153 HydrophobicContact CE1-CB 4.11Å; F144-L153 PolarHBondContact O-N 2.86Å; C146-L153 HydrophobicContact CB-CD1 4.03Å; C146-L153 HydrophobicContact CB-CG 4.44Å; K151-L153 PolarHBondContact O-N 2.85Å; L153-L158 HydrophobicContact CD1-CB 4.13Å; L153-Y166 VanDerWaalsContact CD1-C 3.48Å; L153-Y166 WeakPolarHBondContact CD1-O 3.45Å; L153-C167 HydrophobicContact CD1-CB 4.01Å; L153-C167 HydrophobicContact CD2-CB 3.2Å; L153-C167 HydrophobicContact CG-CB 4.15Å
154E75.3Confident80.6Confident131 Ų13172.4 Ų72.461%0.61241%0.413SS*.  trans-119.6153.1168.7-61.9-163.9117.800108T156 T157E154-T156 PolarHBondContact O-N 3Å; E154-T157 PolarHBondContact O-N 2.94Å
155S67Low80.5Confident75 Ų7572.5 Ų72.552%0.52441%0.413SS..THydrogen-bonded Turntrans-50.3-20.8-174.134.20000114.1L158S155-L158 WeakPolarHBondContact O-CD2 3.45Å
156T70.8Confident80.5Confident127 Ų12767 Ų6778%0.77939%0.393SS*.THydrogen-bonded Turntrans-80.5-25.2-178.8-49.60000114.5E154E154-T156 PolarHBondContact O-N 3Å
157T72Confident80.5Confident76 Ų7667.8 Ų67.847%0.46640%0.398SS..SBendtrans-133.931-167.361.20000115.7E154 K168E154-T157 PolarHBondContact O-N 2.94Å; T157-K168 PolarHBondContact O-N 2.78Å
158L76.3Confident80.4Confident37 Ų3773.7 Ų73.719%0.19442%0.417CS..EExtended strand (participates in β ladder)trans-94.5158.317269.6143.9000112.9F144 L153 S155 I165 Y166F144-L158 HydrophobicContact CE1-CD2 3.85Å; F144-L158 HydrophobicContact CE2-CD1 4.09Å; F144-L158 HydrophobicContact CZ-CB 4.42Å; F144-L158 HydrophobicContact CZ-CD1 3.65Å; F144-L158 HydrophobicContact CZ-CD2 3.44Å; F144-L158 VanDerWaalsContact CZ-CD2 3.44Å; F144-L158 HydrophobicContact CZ-CG 4.01Å; L153-L158 HydrophobicContact CD1-CB 4.13Å; S155-L158 WeakPolarHBondContact O-CD2 3.45Å; L158-I165 HydrophobicContact CD1-CB 4.45Å; L158-I165 HydrophobicContact CD1-CG2 3.89Å; L158-Y166 WeakPolarHBondContact CA-O 3.42Å
159A84.8Confident80.5Confident20 Ų2069.1 Ų69.117%0.16541%0.406CS..EExtended strand (participates in β ladder)trans-127.4134163.300000108.1Y166 Y171A159-Y166 PolarHBondContact N-O 2.93Å; A159-Y166 PolarHBondContact O-N 3.08Å; A159-Y171 HydrophobicContact CB-CD1 3.99Å; A159-Y171 HydrophobicContact CB-CD2 3.46Å; A159-Y171 VanDerWaalsContact CB-CD2 3.46Å; A159-Y171 HydrophobicContact CB-CE1 4.49Å; A159-Y171 HydrophobicContact CB-CE2 4.03Å; A159-Y171 HydrophobicContact CB-CG 3.44Å; A159-Y171 VanDerWaalsContact CB-CG 3.44Å
160D82.1Confident80.4Confident88 Ų8866.7 Ų66.747%0.47139%0.39SS..EExtended strand (participates in β ladder)trans-104.4140.8176.764-81.5000112A135 E164 I165A135-D160 HydrophobicContact CB-CB 3.21Å; D160-E164 WeakPolarHBondContact CA-O 3.29Å; D160-I165 HydrophobicContact CB-CG2 4.48Å
161K80.4Confident80.5Confident76 Ų7668.8 Ų68.833%0.3339%0.385SS..EExtended strand (participates in β ladder)trans-151.4122.6-176.9-142.2-72.4-172170.90108.4G163 E164 Y166 Y171 F175K161-G163 PolarHBondContact O-N 2.86Å; K161-G163 VanDerWaalsContact O-N 3.16Å; K161-E164 PolarHBondContact N-O 2.77Å; K161-E164 PolarHBondContact O-N 2.9Å; K161-Y166 HydrophobicContact CB-CD2 4.02Å; K161-Y166 HydrophobicContact CB-CE2 3.81Å; K161-Y171 HydrophobicContact CB-CE2 4.3Å; K161-Y171 HydrophobicContact CG-CE2 4.06Å; K161-F175 HydrophobicContact CB-CE2 4.37Å; K161-F175 HydrophobicContact CB-CZ 4.29Å; K161-F175 HydrophobicContact CD-CE1 3.95Å; K161-F175 HydrophobicContact CD-CZ 4.13Å; K161-F175 HydrophobicContact CG-CD1 4.42Å; K161-F175 HydrophobicContact CG-CE1 4.09Å; K161-F175 HydrophobicContact CG-CE2 4.3Å; K161-F175 HydrophobicContact CG-CZ 4.01Å
162D78.2Confident80.6Confident132 Ų13264.9 Ų64.971%0.70638%0.379SS*.THydrogen-bonded Turntrans53.332178.8-68.2-69.1000115E164D162-E164 VanDerWaalsContact C-N 3.35Å
163G76.2Confident80.6Confident47 Ų4769.7 Ų69.749%0.48539%0.386SS..THydrogen-bonded Turntrans85.73.2-179.800000115K161K161-G163 PolarHBondContact O-N 2.86Å; K161-G163 VanDerWaalsContact O-N 3.16Å
164E81.9Confident80.8Confident85 Ų8572.8 Ų72.840%0.39740%0.403SS..EExtended strand (participates in β ladder)trans-111150.8173.5-73153.358.700111.5A147 D160 K161 D162 Y166A147-E164 HydrophobicContact CB-CB 4.31Å; D160-E164 WeakPolarHBondContact CA-O 3.29Å; K161-E164 PolarHBondContact N-O 2.77Å; K161-E164 PolarHBondContact O-N 2.9Å; D162-E164 VanDerWaalsContact C-N 3.35Å; E164-Y166 HydrophobicContact CB-CE2 3.71Å; E164-Y166 PolarHBondContact OE1-OH 3.39Å
165I86Confident81.1Confident4 Ų470.2 Ų70.22%0.02139%0.39CS..EExtended strand (participates in β ladder)trans-103.4136.917858.7172.9000111.2W139 F144 R145 C146 A147 L158 D160W139-I165 HydrophobicContact CD2-CD1 4.4Å; W139-I165 HydrophobicContact CE3-CD1 4.22Å; W139-I165 HydrophobicContact CH2-CD1 4.47Å; W139-I165 HydrophobicContact CH2-CG1 4.26Å; W139-I165 HydrophobicContact CH2-CG2 4.13Å; W139-I165 HydrophobicContact CZ2-CG2 3.71Å; W139-I165 HydrophobicContact CZ3-CD1 4.24Å; W139-I165 HydrophobicContact CZ3-CG1 4.37Å; F144-I165 HydrophobicContact CB-CD1 4.48Å; F144-I165 HydrophobicContact CD2-CD1 3.49Å; F144-I165 VanDerWaalsContact CD2-CD1 3.49Å; F144-I165 HydrophobicContact CE2-CD1 3.9Å; F144-I165 HydrophobicContact CG-CD1 3.97Å; R145-I165 WeakPolarHBondContact O-CG1 3.01Å; C146-I165 WeakPolarHBondContact CA-O 3.46Å; A147-I165 PolarHBondContact N-O 2.84Å; L158-I165 HydrophobicContact CD1-CB 4.45Å; L158-I165 HydrophobicContact CD1-CG2 3.89Å; D160-I165 HydrophobicContact CB-CG2 4.48Å
166Y87.7Confident81.5Confident16 Ų1667.6 Ų67.66%0.06338%0.375CS..EExtended strand (participates in β ladder)trans-126.5151-178-62.4-94.6000109.9A147 K148 L153 L158 A159 K161 E164 F175A147-Y166 HydrophobicContact CB-CE1 4.36Å; K148-Y166 HydrophobicContact CD-CE1 4.32Å; K148-Y166 HydrophobicContact CG-CD1 3.75Å; K148-Y166 HydrophobicContact CG-CE1 3.54Å; L153-Y166 VanDerWaalsContact CD1-C 3.48Å; L153-Y166 WeakPolarHBondContact CD1-O 3.45Å; L158-Y166 WeakPolarHBondContact CA-O 3.42Å; A159-Y166 PolarHBondContact N-O 2.93Å; A159-Y166 PolarHBondContact O-N 3.08Å; K161-Y166 HydrophobicContact CB-CD2 4.02Å; K161-Y166 HydrophobicContact CB-CE2 3.81Å; E164-Y166 HydrophobicContact CB-CE2 3.71Å; E164-Y166 PolarHBondContact OE1-OH 3.39Å; Y166-F175 HydrophobicContact CD1-CE2 4.14Å; Y166-F175 HydrophobicContact CD2-CE2 4.27Å; Y166-F175 HydrophobicContact CE1-CE2 4Å; Y166-F175 HydrophobicContact CE1-CZ 4.38Å; Y166-F175 HydrophobicContact CE2-CE2 4.19Å; Y166-F175 HydrophobicContact CE2-CZ 4.4Å; Y166-F175 HydrophobicContact CG-CE2 4.26Å
167C88Confident81.5Confident18 Ų1868 Ų6812%0.12238%0.379CS..EExtended strand (participates in β ladder)trans-79.7152.6171.475.80000110.4C146 L153 G169 C170 Y171C146-C167 HydrophobicContact CB-CB 4.23Å; C146-C167 PolarHBondContact SG-N 3.18Å; C146-C167 VanDerWaalsContact SG-N 3.4Å; L153-C167 HydrophobicContact CD1-CB 4.01Å; L153-C167 HydrophobicContact CD2-CB 3.2Å; L153-C167 HydrophobicContact CG-CB 4.15Å; C167-G169 PolarHBondContact O-N 2.99Å; C167-C170 PolarHBondContact O-N 2.86Å; C167-C170 VanDerWaalsContact SG-CB 3.6Å; C167-C170 PolarHBondContact SG-N 3.47Å; C167-C170 PolarHBondContact SG-SG 2.97Å; C167-Y171 WeakPolarHBondContact O-CB 3.36Å; C167-Y171 PolarHBondContact O-N 3.13Å
168K83.6Confident80.9Confident161 Ų16173 Ų7370%0.739%0.394SS*.Hα-helixtrans-46.3-39.9176.1-172.3-179.6-179.4-179.90113.1T157 A172T157-K168 PolarHBondContact O-N 2.78Å; K168-A172 VanDerWaalsContact O-CB 3.29Å; K168-A172 WeakPolarHBondContact O-CB 3.5Å; K168-A172 PolarHBondContact O-N 2.86Å
169G85.2Confident79.8Confident34 Ų3474.3 Ų74.335%0.35142%0.417SS..Hα-helixtrans-68.2-43.8178.200000114.3C167 K173C167-G169 PolarHBondContact O-N 2.99Å; G169-K173 WeakPolarHBondContact O-CB 3.43Å; G169-K173 WeakPolarHBondContact O-CD 3.11Å; G169-K173 WeakPolarHBondContact O-CG 3.28Å; G169-K173 PolarHBondContact O-N 3.4Å
170C86.2Confident78.7Confident18 Ų1883.4 Ų83.412%0.12245%0.453CS..Hα-helixtrans-71.6-39.3176-73.50000110.8K148 C167 K173 N174K148-C170 HydrophobicContact CB-CB 4.29Å; C167-C170 PolarHBondContact O-N 2.86Å; C167-C170 VanDerWaalsContact SG-CB 3.6Å; C167-C170 PolarHBondContact SG-N 3.47Å; C167-C170 PolarHBondContact SG-SG 2.97Å; C170-K173 PolarHBondContact O-N 3.48Å; C170-N174 VanDerWaalsContact O-CB 3.27Å; C170-N174 WeakPolarHBondContact O-CB 3.39Å; C170-N174 PolarHBondContact O-N 2.82Å; C170-N174 PolarHBondContact O-OD1 2.84Å
171Y86.5Confident77.1Confident89 Ų8982.1 Ų82.135%0.34946%0.461SS..Hα-helixtrans-61.4-48.8178.1-171-94.8000111.3A159 K161 C167 K173 N174 F175 G176A159-Y171 HydrophobicContact CB-CD1 3.99Å; A159-Y171 HydrophobicContact CB-CD2 3.46Å; A159-Y171 VanDerWaalsContact CB-CD2 3.46Å; A159-Y171 HydrophobicContact CB-CE1 4.49Å; A159-Y171 HydrophobicContact CB-CE2 4.03Å; A159-Y171 HydrophobicContact CB-CG 3.44Å; A159-Y171 VanDerWaalsContact CB-CG 3.44Å; K161-Y171 HydrophobicContact CB-CE2 4.3Å; K161-Y171 HydrophobicContact CG-CE2 4.06Å; C167-Y171 WeakPolarHBondContact O-CB 3.36Å; C167-Y171 PolarHBondContact O-N 3.13Å; Y171-K173 PolarHBondContact O-N 3.02Å; Y171-N174 PolarHBondContact O-N 3.11Å; Y171-F175 HydrophobicContact CD2-CB 4.28Å; Y171-F175 AromaticContact CD2-CD2 3.42Å; Y171-F175 HydrophobicContact CD2-CD2 3.42Å; Y171-F175 VanDerWaalsContact CD2-CD2 3.42Å; Y171-F175 HydrophobicContact CD2-CE2 4.06Å; Y171-F175 HydrophobicContact CD2-CG 4.16Å; Y171-F175 HydrophobicContact CE1-CB 4.4Å; Y171-F175 HydrophobicContact CE2-CB 4.04Å; Y171-F175 AromaticContact CE2-CD2 3.69Å; Y171-F175 HydrophobicContact CE2-CD2 3.69Å; Y171-F175 HydrophobicContact CE2-CE2 4.39Å; Y171-F175 HydrophobicContact CE2-CG 4.03Å; Y171-F175 HydrophobicContact CG-CD2 4.11Å; Y171-F175 WeakPolarHBondContact O-CA 3.46Å; Y171-F175 WeakPolarHBondContact O-CB 3.48Å; Y171-F175 PolarHBondContact O-N 3.46Å; Y171-G176 PolarHBondContact O-N 3.46Å
172A85Confident75.9Confident61 Ų6189 Ų8950%0.50449%0.491SS..Hα-helixtrans-62.9-38.9176.800000113.4K168 G176K168-A172 VanDerWaalsContact O-CB 3.29Å; K168-A172 WeakPolarHBondContact O-CB 3.5Å; K168-A172 PolarHBondContact O-N 2.86Å; A172-G176 WeakPolarHBondContact O-CA 3.48Å; A172-G176 PolarHBondContact O-N 2.81Å; A172-G176 VanDerWaalsContact O-N 3.07Å
173K83.5Confident74.6Confident150 Ų15085.9 Ų85.965%0.65249%0.49SS*.Hα-helixtrans-73.9-29.2-179-70.8172.7-163.8-175.50114.1G169 C170 Y171 K178G169-K173 WeakPolarHBondContact O-CB 3.43Å; G169-K173 WeakPolarHBondContact O-CD 3.11Å; G169-K173 WeakPolarHBondContact O-CG 3.28Å; G169-K173 PolarHBondContact O-N 3.4Å; C170-K173 PolarHBondContact O-N 3.48Å; Y171-K173 PolarHBondContact O-N 3.02Å; K173-K178 PolarHBondContact O-NZ 3.22Å
174N80.4Confident73.3Confident83 Ų8392.9 Ų92.944%0.44451%0.51SS..Hα-helixtrans-102.1-38.7-174.4-7277.2000113.2C170 Y171C170-N174 VanDerWaalsContact O-CB 3.27Å; C170-N174 WeakPolarHBondContact O-CB 3.39Å; C170-N174 PolarHBondContact O-N 2.82Å; C170-N174 PolarHBondContact O-OD1 2.84Å; Y171-N174 PolarHBondContact O-N 3.11Å
175F81.4Confident71.7Confident78 Ų7892.6 Ų92.634%0.34253%0.53SS..Hα-helixtrans-115-8.4-177.1-55.1-76.6000113.5K161 Y166 Y171K161-F175 HydrophobicContact CB-CE2 4.37Å; K161-F175 HydrophobicContact CB-CZ 4.29Å; K161-F175 HydrophobicContact CD-CE1 3.95Å; K161-F175 HydrophobicContact CD-CZ 4.13Å; K161-F175 HydrophobicContact CG-CD1 4.42Å; K161-F175 HydrophobicContact CG-CE1 4.09Å; K161-F175 HydrophobicContact CG-CE2 4.3Å; K161-F175 HydrophobicContact CG-CZ 4.01Å; Y166-F175 HydrophobicContact CD1-CE2 4.14Å; Y166-F175 HydrophobicContact CD2-CE2 4.27Å; Y166-F175 HydrophobicContact CE1-CE2 4Å; Y166-F175 HydrophobicContact CE1-CZ 4.38Å; Y166-F175 HydrophobicContact CE2-CE2 4.19Å; Y166-F175 HydrophobicContact CE2-CZ 4.4Å; Y166-F175 HydrophobicContact CG-CE2 4.26Å; Y171-F175 HydrophobicContact CD2-CB 4.28Å; Y171-F175 AromaticContact CD2-CD2 3.42Å; Y171-F175 HydrophobicContact CD2-CD2 3.42Å; Y171-F175 VanDerWaalsContact CD2-CD2 3.42Å; Y171-F175 HydrophobicContact CD2-CE2 4.06Å; Y171-F175 HydrophobicContact CD2-CG 4.16Å; Y171-F175 HydrophobicContact CE1-CB 4.4Å; Y171-F175 HydrophobicContact CE2-CB 4.04Å; Y171-F175 AromaticContact CE2-CD2 3.69Å; Y171-F175 HydrophobicContact CE2-CD2 3.69Å; Y171-F175 HydrophobicContact CE2-CE2 4.39Å; Y171-F175 HydrophobicContact CE2-CG 4.03Å; Y171-F175 HydrophobicContact CG-CD2 4.11Å; Y171-F175 WeakPolarHBondContact O-CA 3.46Å; Y171-F175 WeakPolarHBondContact O-CB 3.48Å; Y171-F175 PolarHBondContact O-N 3.46Å
176G75.7Confident69.8Low20 Ų2097.4 Ų97.421%0.20657%0.57CS.*SBendtrans-63156.517100000111.2Y171 A172 K178Y171-G176 PolarHBondContact O-N 3.46Å; A172-G176 WeakPolarHBondContact O-CA 3.48Å; A172-G176 PolarHBondContact O-N 2.81Å; A172-G176 VanDerWaalsContact O-N 3.07Å; G176-K178 PolarHBondContact O-N 2.92Å
177P71.1Confident68.2Low134 Ų134100 Ų10087%0.8760%0.602SS**  trans-57.5100.718024.7-33.9000109.7G179P177-G179 PolarHBondContact O-N 3.05Å; P177-G179 VanDerWaalsContact O-N 3.15Å
178K59.8Low66.3Low181 Ų181102.8 Ų102.879%0.78763%0.626SS**  trans-91.662.9-179.5-149.2160-174.5158.60107.9K173 G176K173-K178 PolarHBondContact O-NZ 3.22Å; G176-K178 PolarHBondContact O-N 2.92Å
179G53.2Low64.8Low65 Ų65102.5 Ų102.567%0.6763%0.631SS**  trans163.387.1-17900000114.3P177P177-G179 PolarHBondContact O-N 3.05Å; P177-G179 VanDerWaalsContact O-N 3.15Å
180F60.7Low63.3Low212 Ų212107.5 Ų107.593%0.9366%0.655SS**  trans-160.4126.8137.4-158.9-106.5000108
181G48.8Very low61.4Low61 Ų61114.4 Ų114.463%0.62969%0.685SS**  trans-82.1169.6-157.500000118.1
182F54.9Low59.5Low221 Ų221115.5 Ų115.597%0.96971%0.706SS**  trans160.6121.7153.7-105.5-86.7000103.9
183G49.9Very low58.3Low66 Ų66124.5 Ų124.568%0.6874%0.737SS**  cis130.5116.228.600000107
184Q50.3Low57.1Low194 Ų194123.2 Ų123.291%0.90774%0.742SS**  trans61.8114.4165.4-134.483.821.300120.5
185G48.2Very low55.8Low79 Ų79125.3 Ų125.381%0.81476%0.757SS**  trans-173.143163.500000112.5G187G185-G187 PolarHBondContact O-N 3.28Å
186A46.6Very low54.4Low105 Ų105127.9 Ų127.987%0.86878%0.78SS**  trans-68.1124.3166.900000108.8
187G52.7Low53.2Low71 Ų71134.3 Ų134.373%0.73281%0.814SS**  trans-162.390.5175.900000112.6G185G185-G187 PolarHBondContact O-N 3.28Å
188A49Very low52Low76 Ų76134.3 Ų134.363%0.62881%0.811SS**  trans57.195.7153.800000117.2
189L50.7Low51.5Low154 Ų154131.2 Ų131.281%0.80681%0.812SS**  18.710579.562.8157.6000115
190V53.6Low51.4Low140 Ų140135.9 Ų135.985%0.84882%0.822SS**  trans-114.1126.5153.2-660000107.7
191H48.1Very low50.7Low163 Ų163130.1 Ų130.176%0.75581%0.814SS**  trans-67.1146.9-171.7-103.4103.8000112.8E193H191-E193 IonicContact CD2-OE2 3.98Å
192S46.8Very low50.8Low112 Ų112135.8 Ų135.878%0.78383%0.83SS**  trans-90126.9157.5-590000108.5
193E59.2Low50.5Low249 Ų249128.1 Ų128.1100%1.16482%0.817SS**  trans-137.60153.4-116.6122.178.800108.4H191H191-E193 IonicContact CD2-OE2 3.98Å

Retrieved 193 of 193 residues in 152.2 ms (Link to these results)