A0A077Z2Y1_TRITR Loading...

Collagen and Col cuticle N domain containing prot ein

AlphaFold DB , UniProt , Accession A0A077Z2Y1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 355 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
1M76.4Confident90.6Very high212 Ų212124.6 Ų124.6100%1.04460%0.602SS**  0-15.10-74.3-165.8-167.500111.5E3 K4M1-E3 PolarHBondContact O-N 2.9Å; M1-K4 PolarHBondContact O-N 3.27Å
2D90.7Very high90.8Very high131 Ų131124.4 Ų124.470%0.70160%0.599SS**Hα-helixtrans-68-32.5-169.6-47.6-70.4000114.2K4 L5 L6D2-K4 VanDerWaalsContact C-N 3.34Å; D2-K4 PolarHBondContact O-N 2.94Å; D2-L5 PolarHBondContact O-N 3.16Å; D2-L6 WeakPolarHBondContact O-CB 3.17Å; D2-L6 PolarHBondContact O-N 3.48Å
3E92.2Very high91Very high171 Ų171124 Ų12480%0.79960%0.598SS**Hα-helixtrans-62.5-39.2178.5-165.8-170.4132.300112.5M1 A7M1-E3 PolarHBondContact O-N 2.9Å; E3-A7 WeakPolarHBondContact O-CB 3.39Å; E3-A7 PolarHBondContact O-N 3.25Å
4K92.1Very high91.2Very high164 Ų164128.6 Ų128.671%0.71361%0.606SS**Hα-helixtrans-67.5-41.8177.8-71-171.6177.9-177.40111.4M1 D2 A7 E8M1-K4 PolarHBondContact O-N 3.27Å; D2-K4 VanDerWaalsContact C-N 3.34Å; D2-K4 PolarHBondContact O-N 2.94Å; K4-A7 PolarHBondContact O-N 3.35Å; K4-E8 WeakPolarHBondContact O-CG 3.47Å; K4-E8 PolarHBondContact O-N 3.24Å
5L93.2Very high91.4Very high100 Ų100131.5 Ų131.552%0.52461%0.609SS.*Hα-helixtrans-64.2-44177.8-174.567.1000111.2D2 A7 E8 Q9D2-L5 PolarHBondContact O-N 3.16Å; L5-A7 PolarHBondContact O-N 3.36Å; L5-E8 PolarHBondContact O-N 3.1Å; L5-Q9 WeakPolarHBondContact O-CG 3.27Å; L5-Q9 PolarHBondContact O-N 3.43Å
6L93Very high91.7Very high92 Ų92128.3 Ų128.348%0.48260%0.601SS.*Hα-helixtrans-63.1-42176.6-170.174000111.5D2 E8 Q9 H10D2-L6 WeakPolarHBondContact O-CB 3.17Å; D2-L6 PolarHBondContact O-N 3.48Å; L6-E8 VanDerWaalsContact C-N 3.34Å; L6-E8 PolarHBondContact O-N 3.22Å; L6-Q9 PolarHBondContact O-N 3.18Å; L6-H10 PolarHBondContact O-CD2 3.4Å; L6-H10 PolarHBondContact O-N 3.22Å
7A91.2Very high91.8Very high43 Ų43124.3 Ų124.336%0.35560%0.595SS.*Hα-helixtrans-65.4-35.3177.100000112.9E3 K4 L5 R11E3-A7 WeakPolarHBondContact O-CB 3.39Å; E3-A7 PolarHBondContact O-N 3.25Å; K4-A7 PolarHBondContact O-N 3.35Å; L5-A7 PolarHBondContact O-N 3.36Å; A7-R11 PolarHBondContact O-N 3.25Å; A7-R11 VanDerWaalsContact O-N 3.12Å
8E91.8Very high92Very high116 Ų116125.3 Ų125.354%0.54260%0.597SS.*Hα-helixtrans-69.5-43.8172.4-76.4178.2-175.900111.9K4 L5 L6 H10 R11 H12K4-E8 WeakPolarHBondContact O-CG 3.47Å; K4-E8 PolarHBondContact O-N 3.24Å; L5-E8 PolarHBondContact O-N 3.1Å; L6-E8 VanDerWaalsContact C-N 3.34Å; L6-E8 PolarHBondContact O-N 3.22Å; E8-H10 VanDerWaalsContact C-N 3.35Å; E8-H10 PolarHBondContact O-N 3.21Å; E8-R11 PolarHBondContact O-N 3.27Å; E8-H12 PolarHBondContact O-N 3.35Å
9Q92.2Very high92.2Very high109 Ų109124.3 Ų124.351%0.50960%0.595SS.*Hα-helixtrans-59.3-43.7174.2-76.1-176.7-54.900111.7L5 L6 R11 H12 M13L5-Q9 WeakPolarHBondContact O-CG 3.27Å; L5-Q9 PolarHBondContact O-N 3.43Å; L6-Q9 PolarHBondContact O-N 3.18Å; Q9-R11 PolarHBondContact O-N 3.21Å; Q9-H12 PolarHBondContact O-N 2.99Å; Q9-M13 WeakPolarHBondContact O-CG 3.02Å; Q9-M13 PolarHBondContact O-N 3.12Å
10H91.7Very high92.4Very high88 Ų88120.4 Ų120.441%0.40759%0.588SS.*Hα-helixtrans-63.4-40175.3-78.8-56.5000112.8L6 E8 M13 R14L6-H10 PolarHBondContact O-CD2 3.4Å; L6-H10 PolarHBondContact O-N 3.22Å; E8-H10 VanDerWaalsContact C-N 3.35Å; E8-H10 PolarHBondContact O-N 3.21Å; H10-M13 PolarHBondContact O-N 2.98Å; H10-R14 WeakPolarHBondContact O-CB 3.35Å; H10-R14 VanDerWaalsContact O-CG 3.32Å; H10-R14 WeakPolarHBondContact O-CG 3.24Å; H10-R14 PolarHBondContact O-N 3.2Å
11R92.1Very high92.6Very high145 Ų145119 Ų11955%0.54759%0.587SS.*Hα-helixtrans-64.5-40.6174.4-86.9-173-80-178.2-2.4111.8A7 E8 Q9 R14 R15A7-R11 PolarHBondContact O-N 3.25Å; A7-R11 VanDerWaalsContact O-N 3.12Å; E8-R11 PolarHBondContact O-N 3.27Å; Q9-R11 PolarHBondContact O-N 3.21Å; R11-R14 PolarHBondContact O-N 3.39Å; R11-R15 WeakPolarHBondContact O-CG 3.31Å; R11-R15 PolarHBondContact O-N 3.34Å
12H93.1Very high93.6Very high122 Ų122111.5 Ų111.557%0.56555%0.553SS**Hα-helixtrans-63.1-48.4175.6-171-89.3000111.3E8 Q9 R14 R15 V16E8-H12 PolarHBondContact O-N 3.35Å; Q9-H12 PolarHBondContact O-N 2.99Å; H12-R14 VanDerWaalsContact C-N 3.33Å; H12-R14 PolarHBondContact O-N 3.4Å; H12-R15 PolarHBondContact O-N 3.3Å; H12-R15 VanDerWaalsContact O-N 3.16Å; H12-V16 WeakPolarHBondContact O-CG2 3.36Å; H12-V16 PolarHBondContact O-N 3.32Å
13M93.4Very high93.9Very high119 Ų119110 Ų11059%0.58655%0.549SS*.Hα-helixtrans-60.3-40.1177.3-71-152.8-67.500112.6Q9 H10 V16 A17Q9-M13 WeakPolarHBondContact O-CG 3.02Å; Q9-M13 PolarHBondContact O-N 3.12Å; H10-M13 PolarHBondContact O-N 2.98Å; M13-V16 PolarHBondContact O-N 3.38Å; M13-A17 WeakPolarHBondContact O-CB 3.45Å; M13-A17 PolarHBondContact O-N 3.31Å
14R93.8Very high94.1Very high189 Ų189105.2 Ų105.271%0.71353%0.534SS*.Hα-helixtrans-63.5-40.8175.2-74.1177.9-174.5-176.53.2112.5H10 R11 H12 A17 F18H10-R14 WeakPolarHBondContact O-CB 3.35Å; H10-R14 VanDerWaalsContact O-CG 3.32Å; H10-R14 WeakPolarHBondContact O-CG 3.24Å; H10-R14 PolarHBondContact O-N 3.2Å; R11-R14 PolarHBondContact O-N 3.39Å; H12-R14 VanDerWaalsContact C-N 3.33Å; H12-R14 PolarHBondContact O-N 3.4Å; R14-A17 PolarHBondContact O-N 2.96Å; R14-F18 WeakPolarHBondContact O-CB 3.19Å; R14-F18 PolarHBondContact O-N 3.3Å
15R94Very high94.3Very high171 Ų171100.6 Ų100.665%0.64552%0.519SS*.Hα-helixtrans-64.3-45.7176.5-73.4174.9-178.7177.9-0.3111.4R11 H12 F18 L19R11-R15 WeakPolarHBondContact O-CG 3.31Å; R11-R15 PolarHBondContact O-N 3.34Å; H12-R15 PolarHBondContact O-N 3.3Å; H12-R15 VanDerWaalsContact O-N 3.16Å; R15-F18 PolarHBondContact O-N 3.46Å; R15-L19 WeakPolarHBondContact O-CB 3.14Å; R15-L19 VanDerWaalsContact O-CG 3.28Å; R15-L19 WeakPolarHBondContact O-CG 2.94Å; R15-L19 PolarHBondContact O-N 3.38Å
16V95.6Very high94.4Very high80 Ų80100 Ų10049%0.48552%0.52SS..Hα-helixtrans-62.4-44.3177.5174.80000111H12 M13 L19 G20H12-V16 WeakPolarHBondContact O-CG2 3.36Å; H12-V16 PolarHBondContact O-N 3.32Å; M13-V16 PolarHBondContact O-N 3.38Å; V16-L19 PolarHBondContact O-N 3.38Å; V16-G20 PolarHBondContact O-N 3.4Å
17A94.5Very high94.6Very high61 Ų6198.1 Ų98.150%0.50452%0.517SS..Hα-helixtrans-61.8-44.7176.700000112M13 R14 G20 V21M13-A17 WeakPolarHBondContact O-CB 3.45Å; M13-A17 PolarHBondContact O-N 3.31Å; R14-A17 PolarHBondContact O-N 2.96Å; A17-G20 PolarHBondContact O-N 3.41Å; A17-V21 WeakPolarHBondContact O-CG2 3.23Å; A17-V21 PolarHBondContact O-N 3.28Å
18F95.1Very high94.9Very high143 Ų143100.1 Ų100.163%0.62753%0.525SS*.Hα-helixtrans-62.2-45.5176.9-176.9-96.7000111.9R14 R15 G20 V21 V22R14-F18 WeakPolarHBondContact O-CB 3.19Å; R14-F18 PolarHBondContact O-N 3.3Å; R15-F18 PolarHBondContact O-N 3.46Å; F18-G20 VanDerWaalsContact C-N 3.31Å; F18-G20 PolarHBondContact O-N 3.48Å; F18-V21 PolarHBondContact O-N 3.24Å; F18-V22 HydrophobicContact CD1-CG2 3.99Å; F18-V22 HydrophobicContact CE1-CG2 3.59Å; F18-V22 HydrophobicContact CE2-CG2 4.37Å; F18-V22 HydrophobicContact CZ-CG2 3.81Å; F18-V22 WeakPolarHBondContact O-CG2 3.48Å; F18-V22 PolarHBondContact O-N 3.39Å
19L96.1Very high95Very high106 Ų10699.8 Ų99.856%0.55553%0.525SS*.Hα-helixtrans-60.9-40.9175.9-71.2172.8000111.7R15 V16 V21 V22 V23R15-L19 WeakPolarHBondContact O-CB 3.14Å; R15-L19 VanDerWaalsContact O-CG 3.28Å; R15-L19 WeakPolarHBondContact O-CG 2.94Å; R15-L19 PolarHBondContact O-N 3.38Å; V16-L19 PolarHBondContact O-N 3.38Å; L19-V21 PolarHBondContact O-N 3.47Å; L19-V22 PolarHBondContact O-N 2.84Å; L19-V23 WeakPolarHBondContact O-CB 3.25Å; L19-V23 VanDerWaalsContact O-CG2 3.29Å; L19-V23 WeakPolarHBondContact O-CG2 3.42Å; L19-V23 PolarHBondContact O-N 3.34Å
20G96.5Very high95.1Very high45 Ų4596.7 Ų96.746%0.46452%0.519SS..Hα-helixtrans-60.4-43175.400000112.9V16 A17 F18 S24V16-G20 PolarHBondContact O-N 3.4Å; A17-G20 PolarHBondContact O-N 3.41Å; F18-G20 VanDerWaalsContact C-N 3.31Å; F18-G20 PolarHBondContact O-N 3.48Å; G20-S24 WeakPolarHBondContact O-CB 3.2Å; G20-S24 PolarHBondContact O-N 3.29Å
21V96.5Very high95.3Very high91 Ų9195.4 Ų95.455%0.55252%0.52SS*.Hα-helixtrans-64.3-45.6175.3174.70000110.8A17 F18 L19 V23 S24 T25A17-V21 WeakPolarHBondContact O-CG2 3.23Å; A17-V21 PolarHBondContact O-N 3.28Å; F18-V21 PolarHBondContact O-N 3.24Å; L19-V21 PolarHBondContact O-N 3.47Å; V21-V23 PolarHBondContact O-N 3.36Å; V21-S24 PolarHBondContact O-N 2.96Å; V21-T25 HydrophobicContact CG1-CG2 4.3Å; V21-T25 WeakPolarHBondContact O-CG2 3.41Å; V21-T25 PolarHBondContact O-N 2.97Å; V21-T25 PolarHBondContact O-OG1 3.48Å
22V96.9Very high95.4Very high56 Ų5693 Ų9334%0.33952%0.521SS..Hα-helixtrans-62.9-43.1179.2172.80000111.8F18 L19 S24 T25 V26F18-V22 HydrophobicContact CD1-CG2 3.99Å; F18-V22 HydrophobicContact CE1-CG2 3.59Å; F18-V22 HydrophobicContact CE2-CG2 4.37Å; F18-V22 HydrophobicContact CZ-CG2 3.81Å; F18-V22 WeakPolarHBondContact O-CG2 3.48Å; F18-V22 PolarHBondContact O-N 3.39Å; L19-V22 PolarHBondContact O-N 2.84Å; V22-S24 VanDerWaalsContact C-N 3.35Å; V22-T25 WeakPolarHBondContact CA-OG1 3.44Å; V22-T25 PolarHBondContact O-N 3.46Å; V22-T25 PolarHBondContact O-OG1 2.98Å; V22-V26 HydrophobicContact CG1-CG2 4.44Å; V22-V26 WeakPolarHBondContact O-CB 3.32Å; V22-V26 VanDerWaalsContact O-CG2 3.22Å; V22-V26 WeakPolarHBondContact O-CG2 3.36Å; V22-V26 PolarHBondContact O-N 3.37Å
23V97Very high95.5Very high100 Ų10091 Ų9161%0.60652%0.517SS*.Hα-helixtrans-64.9-41.8177.4172.20000110.8L19 V21 V26 A27L19-V23 WeakPolarHBondContact O-CB 3.25Å; L19-V23 VanDerWaalsContact O-CG2 3.29Å; L19-V23 WeakPolarHBondContact O-CG2 3.42Å; L19-V23 PolarHBondContact O-N 3.34Å; V21-V23 PolarHBondContact O-N 3.36Å; V23-V26 PolarHBondContact O-N 3.07Å; V23-A27 WeakPolarHBondContact O-CB 3.41Å; V23-A27 PolarHBondContact O-N 2.77Å
24S96.5Very high95.5Very high69 Ų6988.4 Ų88.448%0.48351%0.508SS..Hα-helixtrans-63.5-45.5177-175.80000112.1G20 V21 V22 V26 A27 V28G20-S24 WeakPolarHBondContact O-CB 3.2Å; G20-S24 PolarHBondContact O-N 3.29Å; V21-S24 PolarHBondContact O-N 2.96Å; V22-S24 VanDerWaalsContact C-N 3.35Å; S24-V26 PolarHBondContact O-N 3.47Å; S24-A27 PolarHBondContact O-N 2.91Å; S24-V28 WeakPolarHBondContact O-CG2 3.41Å; S24-V28 PolarHBondContact O-N 3.24Å
25T96Very high95.6Very high68 Ų6884.8 Ų84.842%0.41750%0.502SS..Hα-helixtrans-64.7-41.9178.3550000111.7V21 V22 V28 I29V21-T25 HydrophobicContact CG1-CG2 4.3Å; V21-T25 WeakPolarHBondContact O-CG2 3.41Å; V21-T25 PolarHBondContact O-N 2.97Å; V21-T25 PolarHBondContact O-OG1 3.48Å; V22-T25 WeakPolarHBondContact CA-OG1 3.44Å; V22-T25 PolarHBondContact O-N 3.46Å; V22-T25 PolarHBondContact O-OG1 2.98Å; T25-V28 PolarHBondContact O-N 3.24Å; T25-I29 WeakPolarHBondContact O-CB 3.39Å; T25-I29 WeakPolarHBondContact O-CD1 3.25Å; T25-I29 WeakPolarHBondContact O-CG1 3.44Å; T25-I29 PolarHBondContact O-N 3.28Å
26V96.3Very high95.6Very high88 Ų8880.2 Ų80.253%0.53350%0.495SS..Hα-helixtrans-62.6-42.81751720000111.1V22 V23 S24 I29 A30V22-V26 HydrophobicContact CG1-CG2 4.44Å; V22-V26 WeakPolarHBondContact O-CB 3.32Å; V22-V26 VanDerWaalsContact O-CG2 3.22Å; V22-V26 WeakPolarHBondContact O-CG2 3.36Å; V22-V26 PolarHBondContact O-N 3.37Å; V23-V26 PolarHBondContact O-N 3.07Å; S24-V26 PolarHBondContact O-N 3.47Å; V26-I29 PolarHBondContact O-N 3.48Å; V26-A30 VanDerWaalsContact O-CB 3.26Å; V26-A30 WeakPolarHBondContact O-CB 3.27Å; V26-A30 PolarHBondContact O-N 3.05Å
27A96.1Very high95.6Very high51 Ų5181.8 Ų81.842%0.42150%0.5SS..Hα-helixtrans-62-44.5176.900000111.9V23 S24 A30 S31V23-A27 WeakPolarHBondContact O-CB 3.41Å; V23-A27 PolarHBondContact O-N 2.77Å; S24-A27 PolarHBondContact O-N 2.91Å; A27-A30 PolarHBondContact O-N 3.36Å; A27-S31 PolarHBondContact O-N 3.47Å; A27-S31 PolarHBondContact O-OG 2.83Å; A27-S31 VanDerWaalsContact O-OG 3.1Å
28V97Very high95.6Very high86 Ų8683.1 Ų83.152%0.52150%0.498SS..Hα-helixtrans-63.6-45.8176.7173.10000111.1S24 T25 A30 S31 V32S24-V28 WeakPolarHBondContact O-CG2 3.41Å; S24-V28 PolarHBondContact O-N 3.24Å; T25-V28 PolarHBondContact O-N 3.24Å; V28-A30 VanDerWaalsContact C-N 3.34Å; V28-A30 PolarHBondContact O-N 3.35Å; V28-S31 PolarHBondContact O-N 3.09Å; V28-V32 HydrophobicContact CG1-CG2 4.27Å; V28-V32 WeakPolarHBondContact O-CB 3.43Å; V28-V32 VanDerWaalsContact O-CG2 3.25Å; V28-V32 WeakPolarHBondContact O-CG2 3.29Å; V28-V32 PolarHBondContact O-N 3.42Å
29I94.7Very high95.7Very high108 Ų10883.8 Ų83.855%0.55450%0.497SS*.Hα-helixtrans-61.2-45.4177.2-68164000110.3T25 V26 S31 V32 V33T25-I29 WeakPolarHBondContact O-CB 3.39Å; T25-I29 WeakPolarHBondContact O-CD1 3.25Å; T25-I29 WeakPolarHBondContact O-CG1 3.44Å; T25-I29 PolarHBondContact O-N 3.28Å; V26-I29 PolarHBondContact O-N 3.48Å; I29-S31 PolarHBondContact O-N 3.01Å; I29-V32 PolarHBondContact O-N 2.87Å; I29-V33 HydrophobicContact CG2-CG2 4.45Å; I29-V33 WeakPolarHBondContact O-CG2 3.33Å; I29-V33 PolarHBondContact O-N 2.96Å
30A94.6Very high95.6Very high45 Ų4582.1 Ų82.137%0.37249%0.494SS..Hα-helixtrans-59.9-45.3176.700000111V26 A27 V28 V33 T34V26-A30 VanDerWaalsContact O-CB 3.26Å; V26-A30 WeakPolarHBondContact O-CB 3.27Å; V26-A30 PolarHBondContact O-N 3.05Å; A27-A30 PolarHBondContact O-N 3.36Å; V28-A30 VanDerWaalsContact C-N 3.34Å; V28-A30 PolarHBondContact O-N 3.35Å; A30-V33 PolarHBondContact O-N 3.34Å; A30-T34 WeakPolarHBondContact O-CB 3.29Å; A30-T34 WeakPolarHBondContact O-CG2 3.4Å; A30-T34 PolarHBondContact O-N 2.83Å; A30-T34 PolarHBondContact O-OG1 3.42Å
31S94.7Very high95.6Very high60 Ų6087.1 Ų87.142%0.4250%0.5SS..Hα-helixtrans-63.7-42.9176.3-62.20000112.7A27 V28 I29 V33 L35A27-S31 PolarHBondContact O-N 3.47Å; A27-S31 PolarHBondContact O-OG 2.83Å; A27-S31 VanDerWaalsContact O-OG 3.1Å; V28-S31 PolarHBondContact O-N 3.09Å; I29-S31 PolarHBondContact O-N 3.01Å; S31-V33 VanDerWaalsContact C-N 3.26Å; S31-V33 PolarHBondContact O-N 3.23Å; S31-L35 VanDerWaalsContact O-CB 3.28Å; S31-L35 WeakPolarHBondContact O-CB 3.43Å; S31-L35 WeakPolarHBondContact O-CG 3.47Å; S31-L35 PolarHBondContact O-N 3.01Å
32V95.3Very high95.6Very high96 Ų9686.7 Ų86.758%0.58249%0.494SS*.Hα-helixtrans-65.4-30.2179.11710000111.9V28 I29 P36V28-V32 HydrophobicContact CG1-CG2 4.27Å; V28-V32 WeakPolarHBondContact O-CB 3.43Å; V28-V32 VanDerWaalsContact O-CG2 3.25Å; V28-V32 WeakPolarHBondContact O-CG2 3.29Å; V28-V32 PolarHBondContact O-N 3.42Å; I29-V32 PolarHBondContact O-N 2.87Å; V32-P36 WeakPolarHBondContact O-CD 3.37Å; V32-P36 WeakPolarHBondContact O-CG 3.31Å
33V94.5Very high95.5Very high79 Ų7989.1 Ų89.148%0.47950%0.501SS..Hα-helixtrans-87.4-44.7177.11750000111.8I29 A30 S31 P36 L37I29-V33 HydrophobicContact CG2-CG2 4.45Å; I29-V33 WeakPolarHBondContact O-CG2 3.33Å; I29-V33 PolarHBondContact O-N 2.96Å; A30-V33 PolarHBondContact O-N 3.34Å; S31-V33 VanDerWaalsContact C-N 3.26Å; S31-V33 PolarHBondContact O-N 3.23Å; V33-P36 WeakPolarHBondContact O-CD 3.41Å; V33-L37 HydrophobicContact CG1-CD1 3.75Å; V33-L37 WeakPolarHBondContact O-CB 3.43Å; V33-L37 WeakPolarHBondContact O-CD1 3.28Å; V33-L37 WeakPolarHBondContact O-CG 3.2Å; V33-L37 PolarHBondContact O-N 3.24Å
34T94.5Very high95.4Very high65 Ų6587.8 Ų87.840%0.39950%0.497SS..Hα-helixtrans-70.9-38.9-175.354.60000112.5A30 L37 I38A30-T34 WeakPolarHBondContact O-CB 3.29Å; A30-T34 WeakPolarHBondContact O-CG2 3.4Å; A30-T34 PolarHBondContact O-N 2.83Å; A30-T34 PolarHBondContact O-OG1 3.42Å; T34-L37 PolarHBondContact O-N 2.95Å; T34-I38 WeakPolarHBondContact O-CB 3.39Å; T34-I38 WeakPolarHBondContact O-CD1 3.37Å; T34-I38 WeakPolarHBondContact O-CG1 3.31Å; T34-I38 PolarHBondContact O-N 3.48Å
35L95.1Very high95.2Very high112 Ų11288.7 Ų88.759%0.58650%0.496SS*.Hα-helixtrans-64.4-48.3-177.7-67.7172.7000112.7S31 L37 I38 Y39S31-L35 VanDerWaalsContact O-CB 3.28Å; S31-L35 WeakPolarHBondContact O-CB 3.43Å; S31-L35 WeakPolarHBondContact O-CG 3.47Å; S31-L35 PolarHBondContact O-N 3.01Å; L35-L37 PolarHBondContact O-N 2.75Å; L35-I38 PolarHBondContact O-N 3.49Å; L35-Y39 WeakPolarHBondContact O-CB 3.38Å; L35-Y39 PolarHBondContact O-N 3Å
36P95Very high95.1Very high75 Ų7591 Ų9149%0.48750%0.502SS..Hα-helixtrans-64.8-36.9175.2-23.335.8000113.1V32 V33 Y39 S40V32-P36 WeakPolarHBondContact O-CD 3.37Å; V32-P36 WeakPolarHBondContact O-CG 3.31Å; V33-P36 WeakPolarHBondContact O-CD 3.41Å; P36-Y39 PolarHBondContact O-N 3.14Å; P36-S40 VanDerWaalsContact O-CB 3.28Å; P36-S40 WeakPolarHBondContact O-CB 3.4Å; P36-S40 PolarHBondContact O-N 3.46Å
37L94.8Very high94.9Very high113 Ų11389.7 Ų89.759%0.59250%0.496SS*.Hα-helixtrans-64.1-46.2176.1-74.2176.4000111.5V33 T34 L35 Y39 S40 Y41V33-L37 HydrophobicContact CG1-CD1 3.75Å; V33-L37 WeakPolarHBondContact O-CB 3.43Å; V33-L37 WeakPolarHBondContact O-CD1 3.28Å; V33-L37 WeakPolarHBondContact O-CG 3.2Å; V33-L37 PolarHBondContact O-N 3.24Å; T34-L37 PolarHBondContact O-N 2.95Å; L35-L37 PolarHBondContact O-N 2.75Å; L37-Y39 VanDerWaalsContact C-N 3.34Å; L37-S40 PolarHBondContact O-N 3.26Å; L37-Y41 VanDerWaalsContact O-CB 3.28Å; L37-Y41 WeakPolarHBondContact O-CB 3.18Å; L37-Y41 PolarHBondContact O-N 2.8Å
38I95.5Very high94.7Very high90 Ų9092.8 Ų92.846%0.46250%0.502SS..Hα-helixtrans-63-42.9176-69.4165.2000110.2T34 L35 Y41 I42T34-I38 WeakPolarHBondContact O-CB 3.39Å; T34-I38 WeakPolarHBondContact O-CD1 3.37Å; T34-I38 WeakPolarHBondContact O-CG1 3.31Å; T34-I38 PolarHBondContact O-N 3.48Å; L35-I38 PolarHBondContact O-N 3.49Å; I38-Y41 PolarHBondContact O-N 3.09Å; I38-I42 HydrophobicContact CG2-CD1 3.67Å; I38-I42 HydrophobicContact CG2-CG1 4.32Å; I38-I42 WeakPolarHBondContact O-CB 3.39Å; I38-I42 VanDerWaalsContact O-CG1 3.26Å; I38-I42 WeakPolarHBondContact O-CG1 3.48Å; I38-I42 PolarHBondContact O-N 2.8Å
39Y96.1Very high94.5Very high157 Ų15794.3 Ų94.362%0.61651%0.507SS*.Hα-helixtrans-61.5-48.2177-178.1-96.5000111.9L35 P36 L37 Y41 I42 Q43L35-Y39 WeakPolarHBondContact O-CB 3.38Å; L35-Y39 PolarHBondContact O-N 3Å; P36-Y39 PolarHBondContact O-N 3.14Å; L37-Y39 VanDerWaalsContact C-N 3.34Å; Y39-Y41 VanDerWaalsContact C-N 3.31Å; Y39-Y41 PolarHBondContact O-N 2.84Å; Y39-I42 PolarHBondContact O-N 3.36Å; Y39-Q43 WeakPolarHBondContact O-CB 3.41Å; Y39-Q43 PolarHBondContact O-N 3.21Å
40S94.9Very high94.4Very high71 Ų7193.5 Ų93.550%0.49750%0.502SS..Hα-helixtrans-60.1-41.6176.5178.70000111.7P36 L37 Q43 S44P36-S40 VanDerWaalsContact O-CB 3.28Å; P36-S40 WeakPolarHBondContact O-CB 3.4Å; P36-S40 PolarHBondContact O-N 3.46Å; L37-S40 PolarHBondContact O-N 3.26Å; S40-Q43 PolarHBondContact O-N 2.91Å; S40-S44 WeakPolarHBondContact O-CB 3.49Å; S40-S44 PolarHBondContact O-N 3.36Å
41Y95.7Very high94.1Very high150 Ų15096.5 Ų96.559%0.58851%0.512SS*.Hα-helixtrans-63.5-47.8176.2-179.6-107.2000112.2L37 I38 Y39 Q43 S44 L45L37-Y41 VanDerWaalsContact O-CB 3.28Å; L37-Y41 WeakPolarHBondContact O-CB 3.18Å; L37-Y41 PolarHBondContact O-N 2.8Å; I38-Y41 PolarHBondContact O-N 3.09Å; Y39-Y41 VanDerWaalsContact C-N 3.31Å; Y39-Y41 PolarHBondContact O-N 2.84Å; Y41-Q43 VanDerWaalsContact C-N 3.35Å; Y41-Q43 PolarHBondContact O-N 3.02Å; Y41-S44 PolarHBondContact O-N 3.49Å; Y41-L45 HydrophobicContact CD1-CD1 3.81Å; Y41-L45 HydrophobicContact CD1-CG 4.49Å; Y41-L45 HydrophobicContact CE1-CD1 3.27Å; Y41-L45 HydrophobicContact CE1-CG 4.15Å; Y41-L45 HydrophobicContact CE2-CD1 4.27Å; Y41-L45 HydrophobicContact CE2-CG 4.33Å; Y41-L45 WeakPolarHBondContact O-CG 3.21Å; Y41-L45 PolarHBondContact O-N 3.01Å
42I96.4Very high94Very high81 Ų8198.2 Ų98.242%0.41551%0.513SS..Hα-helixtrans-61.2-44.5176.7-68.8167.6000110.5I38 Y39 S44 L45 Q46I38-I42 HydrophobicContact CG2-CD1 3.67Å; I38-I42 HydrophobicContact CG2-CG1 4.32Å; I38-I42 WeakPolarHBondContact O-CB 3.39Å; I38-I42 VanDerWaalsContact O-CG1 3.26Å; I38-I42 WeakPolarHBondContact O-CG1 3.48Å; I38-I42 PolarHBondContact O-N 2.8Å; Y39-I42 PolarHBondContact O-N 3.36Å; I42-S44 VanDerWaalsContact C-N 3.34Å; I42-S44 PolarHBondContact O-N 3.07Å; I42-L45 PolarHBondContact O-N 3.01Å; I42-Q46 HydrophobicContact CG2-CG 4.34Å; I42-Q46 WeakPolarHBondContact O-CB 3.25Å; I42-Q46 WeakPolarHBondContact O-CG 3.36Å; I42-Q46 PolarHBondContact O-N 2.72Å
43Q95.1Very high93.9Very high107 Ų10798.9 Ų98.950%0.551%0.513SS..Hα-helixtrans-62.6-41.4178.5-173.3179.8-1.300111.8Y39 S40 Y41 Q46 S47Y39-Q43 WeakPolarHBondContact O-CB 3.41Å; Y39-Q43 PolarHBondContact O-N 3.21Å; S40-Q43 PolarHBondContact O-N 2.91Å; Y41-Q43 VanDerWaalsContact C-N 3.35Å; Y41-Q43 PolarHBondContact O-N 3.02Å; Q43-Q46 PolarHBondContact O-N 3.42Å; Q43-S47 PolarHBondContact O-N 3.32Å; Q43-S47 PolarHBondContact O-OG 3.04Å
44S94.3Very high93.6Very high73 Ų7398.9 Ų98.951%0.5151%0.511SS..Hα-helixtrans-65.3-38.8175.1-173.70000112.3S40 Y41 I42 S47 H48S40-S44 WeakPolarHBondContact O-CB 3.49Å; S40-S44 PolarHBondContact O-N 3.36Å; Y41-S44 PolarHBondContact O-N 3.49Å; I42-S44 VanDerWaalsContact C-N 3.34Å; I42-S44 PolarHBondContact O-N 3.07Å; S44-S47 PolarHBondContact O-OG 3.32Å; S44-H48 WeakPolarHBondContact O-CB 3.34Å; S44-H48 PolarHBondContact O-N 3.48Å; S44-H48 VanDerWaalsContact O-N 3.15Å
45L93.6Very high93.4Very high88 Ų88101.6 Ų101.646%0.46152%0.517SS..Hα-helixtrans-67-42.1174.8-76.4177.1000111.5Y41 I42 H48 L49Y41-L45 HydrophobicContact CD1-CD1 3.81Å; Y41-L45 HydrophobicContact CD1-CG 4.49Å; Y41-L45 HydrophobicContact CE1-CD1 3.27Å; Y41-L45 HydrophobicContact CE1-CG 4.15Å; Y41-L45 HydrophobicContact CE2-CD1 4.27Å; Y41-L45 HydrophobicContact CE2-CG 4.33Å; Y41-L45 WeakPolarHBondContact O-CG 3.21Å; Y41-L45 PolarHBondContact O-N 3.01Å; I42-L45 PolarHBondContact O-N 3.01Å; L45-H48 PolarHBondContact O-N 2.82Å; L45-L49 VanDerWaalsContact O-CB 3.28Å; L45-L49 WeakPolarHBondContact O-CB 3.45Å; L45-L49 PolarHBondContact O-N 2.99Å
46Q93.4Very high93Very high117 Ų11799.8 Ų99.855%0.54751%0.513SS..Hα-helixtrans-61.3-45.8177-77.4-177.8-32.800111.5I42 Q43 H48 L49 I50I42-Q46 HydrophobicContact CG2-CG 4.34Å; I42-Q46 WeakPolarHBondContact O-CB 3.25Å; I42-Q46 WeakPolarHBondContact O-CG 3.36Å; I42-Q46 PolarHBondContact O-N 2.72Å; Q43-Q46 PolarHBondContact O-N 3.42Å; Q46-H48 PolarHBondContact O-N 3.33Å; Q46-L49 PolarHBondContact O-N 2.79Å; Q46-I50 WeakPolarHBondContact O-CB 3.45Å; Q46-I50 WeakPolarHBondContact O-CD1 3.28Å; Q46-I50 WeakPolarHBondContact O-CG1 3.28Å; Q46-I50 PolarHBondContact O-N 3.45Å
47S92.4Very high92.8Very high59 Ų59103.1 Ų103.141%0.41352%0.52SS..Hα-helixtrans-63.3-42.8178.965.80000111.8Q43 S44 N51Q43-S47 PolarHBondContact O-N 3.32Å; Q43-S47 PolarHBondContact O-OG 3.04Å; S44-S47 PolarHBondContact O-OG 3.32Å; S47-N51 WeakPolarHBondContact O-CB 3.48Å; S47-N51 PolarHBondContact O-N 2.94Å; S47-N51 PolarHBondContact O-ND2 2.92Å
48H90.7Very high92.4Very high117 Ų117101.3 Ų101.354%0.54251%0.513SS..Hα-helixtrans-63.3-44.9176-167.2-68000111.8S44 L45 Q46 N51 E52S44-H48 WeakPolarHBondContact O-CB 3.34Å; S44-H48 PolarHBondContact O-N 3.48Å; S44-H48 VanDerWaalsContact O-N 3.15Å; L45-H48 PolarHBondContact O-N 2.82Å; Q46-H48 PolarHBondContact O-N 3.33Å; H48-N51 PolarHBondContact O-N 3.4Å; H48-E52 IonicContact CE1-OE1 3.63Å; H48-E52 WeakPolarHBondContact O-CG 3.47Å; H48-E52 PolarHBondContact O-N 3.41Å
49L93.2Very high92Very high118 Ų118105.3 Ų105.362%0.61852%0.523SS*.Hα-helixtrans-67.5-38.4-178.9-168.2136.9000112L45 Q46 L53L45-L49 VanDerWaalsContact O-CB 3.28Å; L45-L49 WeakPolarHBondContact O-CB 3.45Å; L45-L49 PolarHBondContact O-N 2.99Å; Q46-L49 PolarHBondContact O-N 2.79Å; L49-L53 VanDerWaalsContact O-CB 3.25Å; L49-L53 WeakPolarHBondContact O-CB 3.44Å; L49-L53 PolarHBondContact O-N 2.98Å
50I92.1Very high91.6Very high91 Ų91100.3 Ų100.347%0.46751%0.511SS..Hα-helixtrans-62.2-47174.2-70.4163.8000110.4Q46 E52 L53 D54Q46-I50 WeakPolarHBondContact O-CB 3.45Å; Q46-I50 WeakPolarHBondContact O-CD1 3.28Å; Q46-I50 WeakPolarHBondContact O-CG1 3.28Å; Q46-I50 PolarHBondContact O-N 3.45Å; I50-E52 PolarHBondContact O-N 2.98Å; I50-L53 PolarHBondContact O-N 3.04Å; I50-D54 WeakPolarHBondContact O-CB 3.16Å; I50-D54 PolarHBondContact O-N 2.91Å
51N89.7Confident91.1Very high107 Ų107104.5 Ų104.557%0.57252%0.516SS*.Hα-helixtrans-61.5-44.3179.9-70.7-20.3000112.3S47 H48 D54 F55S47-N51 WeakPolarHBondContact O-CB 3.48Å; S47-N51 PolarHBondContact O-N 2.94Å; S47-N51 PolarHBondContact O-ND2 2.92Å; H48-N51 PolarHBondContact O-N 3.4Å; N51-D54 PolarHBondContact O-N 3.03Å; N51-F55 WeakPolarHBondContact O-CB 3.33Å; N51-F55 PolarHBondContact O-N 2.79Å
52E91.6Very high90.5Very high96 Ų96100.4 Ų100.445%0.44950%0.504SS..Hα-helixtrans-65.7-41.1176.8-72.7-65.6166.400111.9H48 I50 F55 C56H48-E52 IonicContact CE1-OE1 3.63Å; H48-E52 WeakPolarHBondContact O-CG 3.47Å; H48-E52 PolarHBondContact O-N 3.41Å; I50-E52 PolarHBondContact O-N 2.98Å; E52-F55 PolarHBondContact O-N 3.41Å; E52-C56 WeakPolarHBondContact O-CB 3.33Å; E52-C56 PolarHBondContact O-N 2.95Å; E52-C56 PolarHBondContact O-SG 3.41Å
53L92.7Very high89.7Confident110 Ų110101.8 Ų101.858%0.57651%0.51SS*.Hα-helixtrans-63.9-43.8177.4-159.693.7000111.2L49 I50 C56 K57L49-L53 VanDerWaalsContact O-CB 3.25Å; L49-L53 WeakPolarHBondContact O-CB 3.44Å; L49-L53 PolarHBondContact O-N 2.98Å; I50-L53 PolarHBondContact O-N 3.04Å; L53-C56 PolarHBondContact O-N 3.3Å; L53-K57 WeakPolarHBondContact O-CB 3.26Å; L53-K57 PolarHBondContact O-N 3.36Å
54D89.6Confident89.1Confident80 Ų80105 Ų10543%0.42852%0.518SS..Hα-helixtrans-67.2-37.9177.9-81.1-21000112I50 N51 K57 T58I50-D54 WeakPolarHBondContact O-CB 3.16Å; I50-D54 PolarHBondContact O-N 2.91Å; N51-D54 PolarHBondContact O-N 3.03Å; D54-K57 PolarHBondContact O-N 2.96Å; D54-T58 VanDerWaalsContact O-CB 3.31Å; D54-T58 WeakPolarHBondContact O-CB 2.92Å; D54-T58 PolarHBondContact O-N 3.22Å; D54-T58 PolarHBondContact O-OG1 3.44Å
55F88.7Confident88.4Confident122 Ų122106.2 Ų106.254%0.53552%0.518SS..Hα-helixtrans-63.6-47.9173.1-177.3-101.5000111.3N51 E52 K57 T58 R59N51-F55 WeakPolarHBondContact O-CB 3.33Å; N51-F55 PolarHBondContact O-N 2.79Å; E52-F55 PolarHBondContact O-N 3.41Å; F55-K57 VanDerWaalsContact C-N 3.35Å; F55-K57 PolarHBondContact O-N 3.47Å; F55-T58 PolarHBondContact O-N 2.92Å; F55-R59 VanDerWaalsContact O-CB 3.29Å; F55-R59 WeakPolarHBondContact O-CB 3.11Å; F55-R59 PolarHBondContact O-N 2.95Å
56C88.5Confident87.6Confident74 Ų74106.9 Ų106.950%0.552%0.519SS..Hα-helixtrans-61.8-41.2176.5-72.50000112.1E52 L53 S60E52-C56 WeakPolarHBondContact O-CB 3.33Å; E52-C56 PolarHBondContact O-N 2.95Å; E52-C56 PolarHBondContact O-SG 3.41Å; L53-C56 PolarHBondContact O-N 3.3Å; C56-S60 VanDerWaalsContact O-CB 3.31Å; C56-S60 WeakPolarHBondContact O-CB 3.44Å; C56-S60 PolarHBondContact O-N 3.38Å; C56-S60 PolarHBondContact O-OG 2.83Å
57K90.7Very high86.8Confident144 Ų144104.5 Ų104.563%0.62651%0.509SS*.Hα-helixtrans-66.6-42.8177.7-172.5176.6-178.7178.70111.9L53 D54 F55 S60 R61L53-K57 WeakPolarHBondContact O-CB 3.26Å; L53-K57 PolarHBondContact O-N 3.36Å; D54-K57 PolarHBondContact O-N 2.96Å; F55-K57 VanDerWaalsContact C-N 3.35Å; F55-K57 PolarHBondContact O-N 3.47Å; K57-S60 WeakPolarHBondContact CA-OG 3.28Å; K57-S60 PolarHBondContact O-OG 3.11Å; K57-R61 WeakPolarHBondContact O-CB 3.33Å; K57-R61 PolarHBondContact O-N 2.67Å
58T86.8Confident86.1Confident75 Ų75107.7 Ų107.746%0.4652%0.516SS..Hα-helixtrans-66.1-45.4177.7-57.70000110.9D54 F55 R61 D62D54-T58 VanDerWaalsContact O-CB 3.31Å; D54-T58 WeakPolarHBondContact O-CB 2.92Å; D54-T58 PolarHBondContact O-N 3.22Å; D54-T58 PolarHBondContact O-OG1 3.44Å; F55-T58 PolarHBondContact O-N 2.92Å; T58-R61 PolarHBondContact O-N 2.97Å; T58-D62 PolarHBondContact O-N 3.21Å
59R85.5Confident85.3Confident174 Ų174104.8 Ų104.866%0.65751%0.506SS*.Hα-helixtrans-65.3-41.3179.4-170.8178.5177.6121.3-0.7112.4F55 M63F55-R59 VanDerWaalsContact O-CB 3.29Å; F55-R59 WeakPolarHBondContact O-CB 3.11Å; F55-R59 PolarHBondContact O-N 2.95Å; R59-M63 WeakPolarHBondContact O-CB 3.18Å; R59-M63 PolarHBondContact O-N 2.78Å
60S87.7Confident84.1Confident52 Ų52104.3 Ų104.336%0.36450%0.503SS..Hα-helixtrans-66-37.7175.654.30000112C56 K57 W64C56-S60 VanDerWaalsContact O-CB 3.31Å; C56-S60 WeakPolarHBondContact O-CB 3.44Å; C56-S60 PolarHBondContact O-N 3.38Å; C56-S60 PolarHBondContact O-OG 2.83Å; K57-S60 WeakPolarHBondContact CA-OG 3.28Å; K57-S60 PolarHBondContact O-OG 3.11Å; S60-W64 WeakPolarHBondContact O-CB 3.43Å; S60-W64 PolarHBondContact O-N 3.04Å
61R85.5Confident83.3Confident159 Ų159107 Ų10760%0.651%0.513SS*.Hα-helixtrans-63.4-49.2174.4-170-177.374.4166.71.5112.3K57 T58 M63 W64 L65K57-R61 WeakPolarHBondContact O-CB 3.33Å; K57-R61 PolarHBondContact O-N 2.67Å; T58-R61 PolarHBondContact O-N 2.97Å; R61-M63 VanDerWaalsContact C-N 3.31Å; R61-M63 PolarHBondContact O-N 2.88Å; R61-W64 PolarHBondContact O-N 3.48Å; R61-L65 HydrophobicContact CG-CD1 4.31Å; R61-L65 WeakPolarHBondContact O-CG 3.26Å; R61-L65 PolarHBondContact O-N 3.45Å
62D81.7Confident82.5Confident64 Ų64103.9 Ų103.934%0.34250%0.5SS..Hα-helixtrans-61.6-41.6179-94.122.8000111.1T58 W64 L65 E66 R81T58-D62 PolarHBondContact O-N 3.21Å; D62-W64 PolarHBondContact O-N 2.95Å; D62-L65 PolarHBondContact O-N 3.46Å; D62-E66 WeakPolarHBondContact O-CG 3.19Å; D62-E66 PolarHBondContact O-N 3.38Å; D62-R81 IonicContact OD2-NH1 3.68Å
63M80.5Confident80.9Confident110 Ų110110.6 Ų110.654%0.54252%0.522SS..Hα-helixtrans-61.8-43175-172.4-178.974.400112.2R59 R61 E66 I67R59-M63 WeakPolarHBondContact O-CB 3.18Å; R59-M63 PolarHBondContact O-N 2.78Å; R61-M63 VanDerWaalsContact C-N 3.31Å; R61-M63 PolarHBondContact O-N 2.88Å; M63-E66 PolarHBondContact O-N 3.41Å; M63-I67 HydrophobicContact CG-CD1 4.05Å; M63-I67 VanDerWaalsContact O-CG1 3.29Å; M63-I67 WeakPolarHBondContact O-CG1 3.22Å; M63-I67 PolarHBondContact O-N 3.46Å
64W82.3Confident79Confident176 Ų176112.3 Ų112.367%0.66752%0.524SS*.Hα-helixtrans-65.7-38.8177.7-9995.1000113S60 R61 D62 I67 F68S60-W64 WeakPolarHBondContact O-CB 3.43Å; S60-W64 PolarHBondContact O-N 3.04Å; R61-W64 PolarHBondContact O-N 3.48Å; D62-W64 PolarHBondContact O-N 2.95Å; W64-I67 PolarHBondContact O-N 2.91Å; W64-F68 WeakPolarHBondContact O-CB 3.44Å; W64-F68 PolarHBondContact O-N 3.24Å
65L79.9Confident77.5Confident98 Ų98114 Ų11451%0.51354%0.54SS..Hα-helixtrans-63.7-43.9175.3-71.5172.3000111.1R61 D62 F68 T69R61-L65 HydrophobicContact CG-CD1 4.31Å; R61-L65 WeakPolarHBondContact O-CG 3.26Å; R61-L65 PolarHBondContact O-N 3.45Å; D62-L65 PolarHBondContact O-N 3.46Å; L65-F68 PolarHBondContact O-N 2.81Å; L65-T69 VanDerWaalsContact O-CG2 3.27Å; L65-T69 WeakPolarHBondContact O-CG2 3.25Å; L65-T69 PolarHBondContact O-N 3.05Å; L65-T69 PolarHBondContact O-OG1 2.87Å
66E76Confident75.8Confident102 Ų102111.3 Ų111.348%0.47753%0.533SS..Hα-helixtrans-60-47.8174.4-74-72158.900111.5D62 M63 F68 T69 I70D62-E66 WeakPolarHBondContact O-CG 3.19Å; D62-E66 PolarHBondContact O-N 3.38Å; M63-E66 PolarHBondContact O-N 3.41Å; E66-F68 VanDerWaalsContact C-N 3.32Å; E66-F68 PolarHBondContact O-N 3.37Å; E66-T69 PolarHBondContact O-N 3.01Å; E66-T69 PolarHBondContact O-OG1 2.95Å; E66-I70 WeakPolarHBondContact O-CG1 3.22Å; E66-I70 PolarHBondContact O-N 2.8Å
67I77.2Confident74.3Confident67 Ų67113.1 Ų113.134%0.34454%0.542SS..Hα-helixtrans-58.5-44.2177.2-68.8166.2000111.2M63 W64 I70 Q71M63-I67 HydrophobicContact CG-CD1 4.05Å; M63-I67 VanDerWaalsContact O-CG1 3.29Å; M63-I67 WeakPolarHBondContact O-CG1 3.22Å; M63-I67 PolarHBondContact O-N 3.46Å; W64-I67 PolarHBondContact O-N 2.91Å; I67-I70 PolarHBondContact O-N 2.87Å; I67-Q71 HydrophobicContact CG2-CG 4.45Å; I67-Q71 WeakPolarHBondContact O-CG 3.22Å; I67-Q71 PolarHBondContact O-N 2.96Å
68F77.6Confident72.7Confident126 Ų126117.6 Ų117.655%0.55356%0.555SS**Hα-helixtrans-65.1-40.4179.1-168.8-94.7000112W64 L65 E66 I70 Q71 S72W64-F68 WeakPolarHBondContact O-CB 3.44Å; W64-F68 PolarHBondContact O-N 3.24Å; L65-F68 PolarHBondContact O-N 2.81Å; E66-F68 VanDerWaalsContact C-N 3.32Å; E66-F68 PolarHBondContact O-N 3.37Å; F68-I70 PolarHBondContact O-N 2.88Å; F68-Q71 PolarHBondContact O-N 2.97Å; F68-S72 WeakPolarHBondContact O-CB 3.43Å; F68-S72 PolarHBondContact O-N 3.12Å; F68-S72 PolarHBondContact O-OG 2.89Å
69T73.6Confident71.3Confident55 Ų55120.2 Ų120.234%0.33756%0.562SS.*Hα-helixtrans-62.3-43.4176.261.90000111.6L65 E66 S72L65-T69 VanDerWaalsContact O-CG2 3.27Å; L65-T69 WeakPolarHBondContact O-CG2 3.25Å; L65-T69 PolarHBondContact O-N 3.05Å; L65-T69 PolarHBondContact O-OG1 2.87Å; E66-T69 PolarHBondContact O-N 3.01Å; E66-T69 PolarHBondContact O-OG1 2.95Å; T69-S72 PolarHBondContact O-N 3.34Å; T69-S72 PolarHBondContact O-OG 3.37Å
70I68.7Low70.1Confident109 Ų109121.1 Ų121.156%0.55957%0.565SS**Hα-helixtrans-64.1-45.7177.3-64.3165.2000111.2E66 I67 F68 S72 R73 V76E66-I70 WeakPolarHBondContact O-CG1 3.22Å; E66-I70 PolarHBondContact O-N 2.8Å; I67-I70 PolarHBondContact O-N 2.87Å; F68-I70 PolarHBondContact O-N 2.88Å; I70-S72 VanDerWaalsContact C-N 3.31Å; I70-S72 PolarHBondContact O-N 2.9Å; I70-R73 PolarHBondContact O-N 2.88Å; I70-V76 HydrophobicContact CG1-CG2 4.08Å
71Q75.7Confident68.7Low146 Ų146124.1 Ų124.168%0.68257%0.569SS**Hα-helixtrans-65.6-33.6179.7-76.1-173.2-12.200113I67 F68 R73I67-Q71 HydrophobicContact CG2-CG 4.45Å; I67-Q71 WeakPolarHBondContact O-CG 3.22Å; I67-Q71 PolarHBondContact O-N 2.96Å; F68-Q71 PolarHBondContact O-N 2.97Å; Q71-R73 PolarHBondContact O-N 2.94Å; Q71-R73 VanDerWaalsContact O-N 3.07Å
72S72Confident67.8Low43 Ų43120.4 Ų120.430%0.30156%0.558SS.*THydrogen-bonded Turntrans-70.1-1.1-179.671.90000114.4F68 T69 I70 K74F68-S72 WeakPolarHBondContact O-CB 3.43Å; F68-S72 PolarHBondContact O-N 3.12Å; F68-S72 PolarHBondContact O-OG 2.89Å; T69-S72 PolarHBondContact O-N 3.34Å; T69-S72 PolarHBondContact O-OG 3.37Å; I70-S72 VanDerWaalsContact C-N 3.31Å; I70-S72 PolarHBondContact O-N 2.9Å; S72-K74 PolarHBondContact O-N 3.27Å; S72-K74 WeakPolarHBondContact OG-CG 3.33Å
73R58.1Low67.1Low236 Ų236124.5 Ų124.589%0.89157%0.569SS**THydrogen-bonded Turntrans51.314.6-173.1-65.7-173179.7-174.40.5114I70 Q71I70-R73 PolarHBondContact O-N 2.88Å; Q71-R73 PolarHBondContact O-N 2.94Å; Q71-R73 VanDerWaalsContact O-N 3.07Å
74K53.9Low65.9Low146 Ų146123.4 Ų123.464%0.63557%0.565SS**  trans-71.1140.4172.8-68179.7-178179.80107.4S72 V76S72-K74 PolarHBondContact O-N 3.27Å; S72-K74 WeakPolarHBondContact OG-CG 3.33Å; K74-V76 PolarHBondContact O-N 2.94Å
75P56.7Low65Low117 Ų117125.2 Ų125.276%0.7658%0.578SS**  trans-57.2113178.223.5-32.4000108.7T77P75-T77 PolarHBondContact O-N 3.44Å
76V53Low64.2Low64 Ų64123 Ų12339%0.38858%0.579SS.*  trans-72.597.4176.7179.70000106.8I70 K74 R78I70-V76 HydrophobicContact CG1-CG2 4.08Å; K74-V76 PolarHBondContact O-N 2.94Å; V76-R78 PolarHBondContact O-N 3.24Å; V76-R78 VanDerWaalsContact O-N 3.09Å
77T57.4Low63.4Low112 Ų112124.7 Ų124.769%0.68759%0.587SS**  trans-73.1100.3170.449.80000107.4P75 Q79P75-T77 PolarHBondContact O-N 3.44Å; T77-Q79 VanDerWaalsContact C-N 3.28Å; T77-Q79 PolarHBondContact O-N 3.15Å
78R56.5Low62.9Low238 Ų238128.6 Ų128.690%0.89860%0.597SS**  trans-64.693.6168.6-78.6-164.5176.6-144.40.8108.4V76 R80V76-R78 PolarHBondContact O-N 3.24Å; V76-R78 VanDerWaalsContact O-N 3.09Å; R78-R80 PolarHBondContact O-N 2.9Å
79Q58.8Low62.7Low130 Ų130125.1 Ų125.161%0.60759%0.586SS**PPolyproline II helixtrans-73.5123170.7-78.1-174.6-39.200108.9T77 R81T77-Q79 VanDerWaalsContact C-N 3.28Å; T77-Q79 PolarHBondContact O-N 3.15Å; Q79-R81 PolarHBondContact O-N 3.46Å
80R58.7Low62.6Low193 Ų193126.9 Ų126.973%0.72859%0.594SS**PPolyproline II helixtrans-63.5118.4172.2-171.4-178.9-174.9-164.8-0.1107.9R78 A91R78-R80 PolarHBondContact O-N 2.9Å; R80-A91 HydrophobicContact CB-CB 4.34Å; R80-A91 WeakPolarHBondContact O-CB 3.33Å; R80-A91 PolarHBondContact O-N 3.21Å
81R59.9Low62.2Low115 Ų115123.1 Ų123.143%0.43458%0.579SS.*EExtended strand (participates in β ladder)trans-100.4142172.4-64.7-175.7177.8174.44109.2D62 Q79 W88 V89 N90D62-R81 IonicContact OD2-NH1 3.68Å; Q79-R81 PolarHBondContact O-N 3.46Å; R81-W88 HydrophobicContact CB-CB 4.39Å; R81-W88 HydrophobicContact CB-CE3 3.79Å; R81-V89 CarbonylContact C-O 3.51Å; R81-V89 VanDerWaalsContact CA-O 3.25Å; R81-V89 WeakPolarHBondContact CA-O 3.32Å; R81-N90 PolarHBondContact NE-OD1 3.3Å
82E66.1Low61.1Low82 Ų82121 Ų12138%0.38359%0.586SS.*EExtended strand (participates in β ladder)trans-115146177.7-71.4176.2175.200109.4V89 A91E82-V89 PolarHBondContact N-O 2.89Å; E82-V89 WeakPolarHBondContact O-CG2 3.48Å; E82-V89 PolarHBondContact O-N 2.91Å; E82-A91 HydrophobicContact CG-CB 4.07Å
83W65.6Low59.8Low150 Ų150124 Ų12457%0.56861%0.607SS**EExtended strand (participates in β ladder)trans-92.1108.7-177.4-176.2-97.2000109.5G86 W88W83-G86 WeakPolarHBondContact CH2-O 3.36Å; W83-W88 HydrophobicContact CB-CE3 4.39Å; W83-W88 HydrophobicContact CB-CZ3 4.26Å; W83-W88 AromaticContact CE3-CD1 3.71Å; W83-W88 AromaticContact CE3-CD2 3.67Å; W83-W88 HydrophobicContact CE3-CD2 3.67Å; W83-W88 AromaticContact CE3-CE2 3.45Å; W83-W88 VanDerWaalsContact CE3-CE2 3.45Å; W83-W88 HydrophobicContact CE3-CE3 4.34Å; W83-W88 AromaticContact CE3-CG 3.83Å; W83-W88 HydrophobicContact CE3-CG 3.83Å; W83-W88 AromaticContact CE3-CZ2 3.95Å; W83-W88 HydrophobicContact CE3-CZ2 3.95Å; W83-W88 AromaticContact CE3-NE1 3.47Å; W83-W88 AromaticContact CZ3-CD1 3.49Å; W83-W88 VanDerWaalsContact CZ3-CD1 3.49Å; W83-W88 HydrophobicContact CZ3-CD2 4.25Å; W83-W88 AromaticContact CZ3-CE2 3.8Å; W83-W88 HydrophobicContact CZ3-CG 4.06Å; W83-W88 HydrophobicContact CZ3-CZ2 4.47Å; W83-W88 AromaticContact CZ3-NE1 3.29Å; W83-W88 VanDerWaalsContact CZ3-NE1 3.29Å
84L55.3Low58.7Low86 Ų86116.5 Ų116.545%0.4560%0.604SS.*EExtended strand (participates in β ladder)trans-132.9132179.8-70.2172.5000109.6G86 Q87 V89L84-G86 PolarHBondContact O-N 2.98Å; L84-G86 VanDerWaalsContact O-N 3.14Å; L84-Q87 PolarHBondContact N-O 3.38Å; L84-Q87 PolarHBondContact O-N 3.49Å; L84-V89 HydrophobicContact CB-CG2 4.01Å; L84-V89 HydrophobicContact CD1-CG2 3.76Å; L84-V89 HydrophobicContact CG-CG2 4.14Å
85F65.2Low57.6Low214 Ų214115 Ų11594%0.93961%0.607SS**THydrogen-bonded Turntrans52.134.1178.1-54.5-75.2000115.3Q87F85-Q87 VanDerWaalsContact C-N 3.33Å
86G61.7Low56.3Low52 Ų52116.4 Ų116.454%0.53661%0.613SS.*THydrogen-bonded Turntrans80.89.2179.800000114.8W83 L84W83-G86 WeakPolarHBondContact CH2-O 3.36Å; L84-G86 PolarHBondContact O-N 2.98Å; L84-G86 VanDerWaalsContact O-N 3.14Å
87Q60.4Low55.1Low137 Ų137116.6 Ų116.664%0.6463%0.628SS**EExtended strand (participates in β ladder)trans-130.9143.7179.7-167.8173.2-1700111.1L84 F85 V89L84-Q87 PolarHBondContact N-O 3.38Å; L84-Q87 PolarHBondContact O-N 3.49Å; F85-Q87 VanDerWaalsContact C-N 3.33Å; Q87-V89 PolarHBondContact O-N 3.42Å
88W65.9Low54.2Low149 Ų149117.5 Ų117.556%0.56464%0.636SS**EExtended strand (participates in β ladder)trans-75.5119.2169.9-70.6104.1000109.8R81 W83R81-W88 HydrophobicContact CB-CB 4.39Å; R81-W88 HydrophobicContact CB-CE3 3.79Å; W83-W88 HydrophobicContact CB-CE3 4.39Å; W83-W88 HydrophobicContact CB-CZ3 4.26Å; W83-W88 AromaticContact CE3-CD1 3.71Å; W83-W88 AromaticContact CE3-CD2 3.67Å; W83-W88 HydrophobicContact CE3-CD2 3.67Å; W83-W88 AromaticContact CE3-CE2 3.45Å; W83-W88 VanDerWaalsContact CE3-CE2 3.45Å; W83-W88 HydrophobicContact CE3-CE3 4.34Å; W83-W88 AromaticContact CE3-CG 3.83Å; W83-W88 HydrophobicContact CE3-CG 3.83Å; W83-W88 AromaticContact CE3-CZ2 3.95Å; W83-W88 HydrophobicContact CE3-CZ2 3.95Å; W83-W88 AromaticContact CE3-NE1 3.47Å; W83-W88 AromaticContact CZ3-CD1 3.49Å; W83-W88 VanDerWaalsContact CZ3-CD1 3.49Å; W83-W88 HydrophobicContact CZ3-CD2 4.25Å; W83-W88 AromaticContact CZ3-CE2 3.8Å; W83-W88 HydrophobicContact CZ3-CG 4.06Å; W83-W88 HydrophobicContact CZ3-CZ2 4.47Å; W83-W88 AromaticContact CZ3-NE1 3.29Å; W83-W88 VanDerWaalsContact CZ3-NE1 3.29Å
89V73.6Confident52.8Low54 Ų54115.6 Ų115.633%0.32764%0.638SS.*EExtended strand (participates in β ladder)trans-113.6148.1174.7-66.20000110.5R81 E82 L84 Q87 A91R81-V89 CarbonylContact C-O 3.51Å; R81-V89 VanDerWaalsContact CA-O 3.25Å; R81-V89 WeakPolarHBondContact CA-O 3.32Å; E82-V89 PolarHBondContact N-O 2.89Å; E82-V89 WeakPolarHBondContact O-CG2 3.48Å; E82-V89 PolarHBondContact O-N 2.91Å; L84-V89 HydrophobicContact CB-CG2 4.01Å; L84-V89 HydrophobicContact CD1-CG2 3.76Å; L84-V89 HydrophobicContact CG-CG2 4.14Å; Q87-V89 PolarHBondContact O-N 3.42Å; V89-A91 PolarHBondContact O-N 3.39Å
90N70.6Confident51.2Low91 Ų91112.9 Ų112.949%0.48765%0.645SS.*EExtended strand (participates in β ladder)trans-69128177-66.3-36000109.2R81 A92R81-N90 PolarHBondContact NE-OD1 3.3Å; N90-A92 PolarHBondContact O-N 3.15Å
91A60.6Low49.6Very low31 Ų31115.3 Ų115.326%0.25666%0.655SS.*  trans-62.7113.7175.900000108.3R80 E82 V89 S93R80-A91 HydrophobicContact CB-CB 4.34Å; R80-A91 WeakPolarHBondContact O-CB 3.33Å; R80-A91 PolarHBondContact O-N 3.21Å; E82-A91 HydrophobicContact CG-CB 4.07Å; V89-A91 PolarHBondContact O-N 3.39Å; A91-S93 PolarHBondContact O-N 3.37Å
92A53.9Low48Very low101 Ų101113 Ų11384%0.83567%0.668SS**  trans-58.6110.9178.200000108.4N90 G94N90-A92 PolarHBondContact O-N 3.15Å; A92-G94 PolarHBondContact O-N 3.48Å
93S44.7Very low46.1Very low106 Ų106116 Ų11674%0.74169%0.691SS**  trans-61.9104.8176.751.80000108.6A91 T95A91-S93 PolarHBondContact O-N 3.37Å; S93-T95 PolarHBondContact O-N 3.33Å
94G33.5Very low44.1Very low79 Ų79112.8 Ų112.881%0.81471%0.705SS**  trans-64.696.5173.100000110.6A92A92-G94 PolarHBondContact O-N 3.48Å
95T32.3Very low42.7Very low114 Ų114112.3 Ų112.370%0.69972%0.722SS**  trans-141.692.3163.150.30000109.1S93S93-T95 PolarHBondContact O-N 3.33Å
96T28.3Very low40.8Very low146 Ų146105.5 Ų105.590%0.89671%0.711SS**  trans31.8117.2141.257.10000119.7
97G29Very low39Very low68 Ų68108.6 Ų108.670%0.70172%0.72SS**  trans153.8109.5151.800000113.9Q99G97-Q99 PolarHBondContact O-N 2.88Å
98P38.6Very low37.7Very low132 Ų132107.2 Ų107.286%0.85772%0.723SS**  trans-91.382.917935-28000109.6
99Q25.9Very low35.8Very low198 Ų198106.1 Ų106.193%0.92573%0.733SS**  trans-151.4136.3162-77-149.9-1300111.8G97G97-Q99 PolarHBondContact O-N 2.88Å
100G26.4Very low33.8Very low73 Ų73110 Ų11075%0.75375%0.751SS**  trans115.579.2159.600000114G102G100-G102 PolarHBondContact O-N 3.34Å
101Y24.6Very low31.7Very low243 Ų243108.7 Ų108.795%0.95375%0.748SS**  trans-55.192.2146.8-90.9-100.3000107.7
102G26.1Very low30.8Very low68 Ų68112.8 Ų112.870%0.70177%0.772SS**  trans-117.782.1177.400000108.6G100 G104G100-G102 PolarHBondContact O-N 3.34Å; G102-G104 PolarHBondContact O-N 3.42Å
103T26.1Very low29.6Very low143 Ų143117.5 Ų117.588%0.87777%0.77SS**  trans-49.6128.4160.145.40000110.4
104G24.5Very low28.8Very low83 Ų83118.8 Ų118.886%0.85677%0.768SS**  trans121.699.7163.600000113.9G102G102-G104 PolarHBondContact O-N 3.42Å
105G24.6Very low28.7Very low77 Ų77120 Ų12079%0.79476%0.764SS**  trans166.982.4170.300000109.5
106G25Very low28.7Very low70 Ų70121 Ų12172%0.72277%0.77SS**  trans-47.6136.7-168.100000114.1P108G106-P108 WeakPolarHBondContact O-CD 3.29Å
107T25.5Very low28.8Very low117 Ų117118.4 Ų118.472%0.71876%0.758SS**  trans-44.6120.3149.346.20000107.8T109T107-T109 PolarHBondContact O-N 3.43Å
108P32Very low29.1Very low109 Ų109120.5 Ų120.571%0.70876%0.759SS**  trans-68.496.1165.928.4-28.6000105G106 I110G106-P108 WeakPolarHBondContact O-CD 3.29Å; P108-I110 HydrophobicContact CB-CG1 4.13Å; P108-I110 PolarHBondContact O-N 3.46Å
109T26.4Very low29Very low125 Ų125119.9 Ų119.977%0.76776%0.755SS**  trans-61.384.2159.3-540000105.1T107 S111T107-T109 PolarHBondContact O-N 3.43Å; T109-S111 PolarHBondContact O-N 3.41Å
110I31.1Very low29.4Very low137 Ų137116.7 Ų116.770%0.70375%0.749SS**  trans-70.693.1171.5-61.2174.6000104.5P108P108-I110 HydrophobicContact CB-CG1 4.13Å; P108-I110 PolarHBondContact O-N 3.46Å
111S26.7Very low29.8Very low62 Ų62119 Ų11943%0.43475%0.751SS.*  trans-56.4130164.3-176.30000107.4T109 Y113 D114T109-S111 PolarHBondContact O-N 3.41Å; S111-Y113 PolarHBondContact O-N 2.87Å; S111-D114 PolarHBondContact O-N 2.84Å
112P41.1Very low29.9Very low117 Ų117119.2 Ų119.276%0.7675%0.751SS**THydrogen-bonded Turntrans-69.513.9-171.826.1-32.8000114.9
113Y29Very low30.1Very low200 Ų200119.5 Ų119.578%0.78475%0.754SS**THydrogen-bonded Turntrans-115.91.8179.1-69.9-73.6000115.3S111 S115S111-Y113 PolarHBondContact O-N 2.87Å; Y113-S115 VanDerWaalsContact C-N 3.28Å; Y113-S115 PolarHBondContact O-N 2.87Å
114D27.8Very low30.1Very low134 Ų134116.9 Ų116.972%0.71776%0.755SS**  trans-78.786.5171.7-83.5-31000110.4S111 V116S111-D114 PolarHBondContact O-N 2.84Å; D114-V116 VanDerWaalsContact C-N 3.25Å; D114-V116 PolarHBondContact O-N 3.3Å
115S32Very low30.4Very low103 Ų103116.6 Ų116.672%0.7275%0.752SS**  trans-59.188.516254.50000109Y113 S117Y113-S115 VanDerWaalsContact C-N 3.28Å; Y113-S115 PolarHBondContact O-N 2.87Å; S115-S117 PolarHBondContact O-N 3.4Å
116V32Very low30.9Very low135 Ų135117.7 Ų117.782%0.81875%0.754SS**  trans-69.489.2163.4-177.90000106.6D114D114-V116 VanDerWaalsContact C-N 3.25Å; D114-V116 PolarHBondContact O-N 3.3Å
117S30.8Very low31.6Very low93 Ų93120.4 Ų120.465%0.6576%0.759SS**PPolyproline II helixtrans-55.1131.3168.8-65.90000108.9S115S115-S117 PolarHBondContact O-N 3.4Å
118P35.5Very low32Very low111 Ų111119.6 Ų119.672%0.72176%0.764SS**PPolyproline II helixtrans-63.3146178.826.2-32.5000110.1V120P118-V120 PolarHBondContact O-N 2.83Å; P118-V120 VanDerWaalsContact O-N 3.15Å
119P35Very low32.2Very low120 Ų120119.9 Ų119.978%0.77977%0.766SS**PPolyproline II helixtrans-65.6118.7-177.825.4-31.1000109.9
120V34.1Very low32.5Very low130 Ų130118.7 Ų118.779%0.78876%0.763SS**PPolyproline II helixtrans-50.6127.2170.3-97.50000110.3P118 Y122P118-V120 PolarHBondContact O-N 2.83Å; P118-V120 VanDerWaalsContact O-N 3.15Å; V120-Y122 PolarHBondContact O-N 2.78Å
121P35.4Very low32.5Very low122 Ų122121.4 Ų121.479%0.79277%0.773SS**PPolyproline II helixtrans-69.5128.417527.2-29.9000109.3G123P121-G123 PolarHBondContact O-N 3.22Å
122Y27.7Very low32.7Very low248 Ų248122.2 Ų122.297%0.97379%0.791SS**PPolyproline II helixtrans-47.7118.5168.4-101.6-102.2000110.6V120V120-Y122 PolarHBondContact O-N 2.78Å
123G30.7Very low32.2Very low74 Ų74120 Ų12076%0.76379%0.79SS**  trans-178.584.6175.200000109.9P121P121-G123 PolarHBondContact O-N 3.22Å
124G26.2Very low32.1Very low87 Ų87121.7 Ų121.790%0.89780%0.796SS**  trans-68.3152.1176.400000112.6
125G30Very low32.7Very low77 Ų77121.6 Ų121.679%0.79480%0.8SS**  trans152.677.4165.800000115.5
126A34.5Very low33Very low101 Ų101121.2 Ų121.284%0.83580%0.795SS**  trans53.5153.3140.400000122
127P41.2Very low33.6Very low126 Ų126120.5 Ų120.582%0.81879%0.793SS**PPolyproline II helixtrans-100.9142.7-143.637.1-31.3000114.5
128A32.7Very low33.7Very low100 Ų100124.5 Ų124.583%0.82680%0.802SS**PPolyproline II helixtrans-90.9135.5166.700000110.7
129P36.9Very low34Very low115 Ų115124.7 Ų124.775%0.74780%0.803SS**PPolyproline II helixtrans-90.9142.5-174.936.8-33.4000112.8
130S31.6Very low34.1Very low101 Ų101123.7 Ų123.771%0.70680%0.799SS**  trans50.1130.9133.773.60000122
131Q31.7Very low34.3Very low193 Ų193127.8 Ų127.890%0.90280%0.802SS**  trans98.9139.7141.5-53.8-127.317.200119.7
132G31Very low34.4Very low80 Ų80130 Ų13083%0.82580%0.801SS**  trans107.4105.417000000111
133G30.7Very low34.8Very low71 Ų71124.7 Ų124.773%0.73280%0.795SS**  cis118.893.23500000106.6V135G133-V135 PolarHBondContact O-N 2.84Å
134Y27.3Very low35.3Very low234 Ų234127.4 Ų127.492%0.91880%0.797SS**  trans-60.7123.9178-121.2-101.5000109.9
135V39.1Very low36Very low133 Ų133128.4 Ų128.481%0.80679%0.787SS**  trans-123.2112.7166.2-178.30000108.2G133G133-V135 PolarHBondContact O-N 2.84Å
136P40Very low36.3Very low94 Ų94130.9 Ų130.961%0.6179%0.787SS**PPolyproline II helixtrans-76.9164.8179.131.4-32.6000112.3
137P43.7Very low36.8Very low120 Ų120131.9 Ų131.978%0.77979%0.785SS**PPolyproline II helixtrans-87.8144-145.533.3-33.4000113.6
138Q33.1Very low36.8Very low178 Ų178132.3 Ų132.383%0.83279%0.786SS**PPolyproline II helixtrans-89.9135.7172.1-68.6-71-69.200110.4
139P41.9Very low37Very low115 Ų115132.2 Ų132.275%0.74779%0.785SS**PPolyproline II helixtrans-89.2118176.233.2-28000110.3
140S36.6Very low37.4Very low98 Ų98134.5 Ų134.569%0.68579%0.79SS**  trans-119.710416653.90000108.6E142S140-E142 PolarHBondContact O-N 3.42Å
141Y37.7Very low37.9Very low217 Ų217134.9 Ų134.985%0.85179%0.79SS**  trans-74.297.516851.7-82000107.2
142E38.6Very low38.3Very low167 Ų167130.9 Ų130.978%0.7879%0.79SS**  trans-91.9121.1167.8-80.4-179.7153.100109.1S140 V144S140-E142 PolarHBondContact O-N 3.42Å; E142-V144 PolarHBondContact O-N 2.97Å; E142-V144 VanDerWaalsContact O-N 3.08Å
143T35.7Very low38.9Very low137 Ų137133.4 Ų133.484%0.8479%0.789SS**  trans-57.6103.2178.1-51.20000110.5
144V41.2Very low39.4Very low132 Ų132135.8 Ų135.880%0.879%0.79SS**PPolyproline II helixtrans-77.1129.3175-179.80000109.3E142E142-V144 PolarHBondContact O-N 2.97Å; E142-V144 VanDerWaalsContact O-N 3.08Å
145P40.2Very low40.1Very low108 Ų108131.4 Ų131.470%0.70179%0.787SS**PPolyproline II helixtrans-72.5146.7-169.627.8-34000113.5
146T36.9Very low40.2Very low129 Ų129131 Ų13179%0.79178%0.784SS**PPolyproline II helixtrans-50.3123.9-179.5-33.50000112.4T148T146-T148 PolarHBondContact O-N 3.36Å
147P44.7Very low40.5Very low122 Ų122134.2 Ų134.279%0.79279%0.791SS**PPolyproline II helixtrans-68.2122.3178.126.1-31.8000110.4
148T42.4Very low40.4Very low135 Ų135137.4 Ų137.483%0.82880%0.796SS**PPolyproline II helixtrans-66.6132.5173.3-42.10000109.5T146 L150T146-T148 PolarHBondContact O-N 3.36Å; T148-L150 PolarHBondContact O-N 2.88Å
149A37.2Very low40.8Very low98 Ų98134.3 Ų134.381%0.8179%0.793SS**PPolyproline II helixtrans-58127.4-176.700000112.4
150L44.3Very low41Very low163 Ų163133.9 Ų133.985%0.85379%0.791SS**  trans-104.7150.9164.8-73.6176.7000109.8T148T148-L150 PolarHBondContact O-N 2.88Å
151P42.4Very low41.7Very low109 Ų109134.7 Ų134.771%0.70879%0.792SS**  trans-81.4161.3-152.532.6-35.5000114.4V153P151-V153 PolarHBondContact O-N 3Å
152A39.8Very low42.2Very low109 Ų109129.2 Ų129.290%0.90178%0.784SS**  trans-51.1113.3-177.400000113.2
153V43.2Very low42.8Very low133 Ų133129 Ų12981%0.80678%0.783SS**  trans-92.4118.2166.2-179.80000108P151P151-V153 PolarHBondContact O-N 3Å
154T41.8Very low43.5Very low121 Ų121127.4 Ų127.474%0.74277%0.766SS**  trans-38.2135.5174.832.90000114.3V156T154-V156 PolarHBondContact O-N 3.41Å
155V41.3Very low43.9Very low141 Ų141121.4 Ų121.486%0.85573%0.731SS**  trans-40.5102.7171.2177.70000110.4Q157V155-Q157 PolarHBondContact O-N 3.39Å
156V42.6Very low44.6Very low124 Ų124120.8 Ų120.875%0.75273%0.727SS**  trans-74.889.2164.4-1760000105.2T154 E158T154-V156 PolarHBondContact O-N 3.41Å; V156-E158 PolarHBondContact O-N 2.83Å; V156-E158 VanDerWaalsContact O-N 3.12Å
157Q45.3Very low45.6Very low162 Ų162119.4 Ų119.476%0.75772%0.72SS**  trans-50.7118.5159.7-161.6166.98.600105.5V155 C159V155-Q157 PolarHBondContact O-N 3.39Å; Q157-C159 PolarHBondContact O-N 3.36Å
158E41.5Very low46.2Very low187 Ų187113.8 Ų113.887%0.87468%0.684SS**  trans-55.587.3-177.9-69.8165.4151.800108.6V156 C160V156-E158 PolarHBondContact O-N 2.83Å; V156-E158 VanDerWaalsContact O-N 3.12Å; E158-C160 PolarHBondContact O-N 2.9Å
159C41.1Very low47.1Very low114 Ų114111.5 Ų111.577%0.7767%0.672SS**  trans-64.3105.4172.1-78.10000105.5Q157 T161Q157-C159 PolarHBondContact O-N 3.36Å; C159-T161 PolarHBondContact O-N 2.62Å; C159-T161 VanDerWaalsContact O-N 3.11Å
160C45.8Very low48.4Very low105 Ų105111.4 Ų111.471%0.70966%0.663SS**  trans-34.5118.7170.7-82.10000109.6E158 C162E158-C160 PolarHBondContact O-N 2.9Å; C160-C162 PolarHBondContact O-N 3.37Å
161T52.1Low49Very low115 Ų115104 Ų10471%0.70663%0.625SS**  trans-69.377.4164540000106.8C159 H163C159-T161 PolarHBondContact O-N 2.62Å; C159-T161 VanDerWaalsContact O-N 3.11Å; T161-H163 PolarHBondContact O-N 2.87Å
162C47.7Very low49.8Very low102 Ų102102.6 Ų102.669%0.68962%0.616SS**  trans-58.199.8156.743.10000104.8C160 Q164C160-C162 PolarHBondContact O-N 3.37Å; C162-Q164 VanDerWaalsContact C-N 3.33Å; C162-Q164 PolarHBondContact O-N 3.3Å
163H51Low50.9Low163 Ų163102.5 Ų102.576%0.75561%0.606SS**  trans-54105.6175.4-76.4-86.3000105.9T161 G165T161-H163 PolarHBondContact O-N 2.87Å; H163-G165 PolarHBondContact O-N 3.1Å
164Q51.2Low51.5Low103 Ų10396.6 Ų96.648%0.48157%0.573SS.*PPolyproline II helixtrans-48.6132.2169.7-90.9174.7-0.100106.3C162C162-Q164 VanDerWaalsContact C-N 3.33Å; C162-Q164 PolarHBondContact O-N 3.3Å
165G50.5Low52.1Low6 Ų698.6 Ų98.66%0.06257%0.574CS.*PPolyproline II helixtrans-50151.417500000109.8H163H163-G165 PolarHBondContact O-N 3.1Å
166P54.3Low52.7Low95 Ų9597.7 Ų97.762%0.61756%0.564SS**PPolyproline II helixtrans-48.8140.2-176.921.1-32.6000110G168P166-G168 PolarHBondContact O-N 3.46Å
167P58.5Low53.1Low101 Ų10192 Ų9266%0.65653%0.531SS*.PPolyproline II helixtrans-46.1136.7177.3-2833.9000110.5
168G55.9Low53.3Low4 Ų488 Ų884%0.04153%0.526CS..PPolyproline II helixtrans-57.6156.3179.800000111.4P166 G338P166-G168 PolarHBondContact O-N 3.46Å; G168-G338 VanDerWaalsContact CA-CA 3.47Å
169P62.5Low53.7Low87 Ų8784.8 Ų84.857%0.56551%0.514SS*.PPolyproline II helixtrans-53.2147.2177.124-33.2000110.3G171P169-G171 PolarHBondContact O-N 3.27Å
170P63.6Low54.1Low96 Ų9679.8 Ų79.862%0.62348%0.482SS*.PPolyproline II helixtrans-48.8143.1174.2-26.434.3000110.9
171G57.3Low54.2Low6 Ų685.4 Ų85.46%0.06249%0.488CS..PPolyproline II helixtrans-58.9158.2178.200000112P169P169-G171 PolarHBondContact O-N 3.27Å
172P59.5Low54Low80 Ų8085 Ų8552%0.51948%0.482SS..PPolyproline II helixtrans-54146.6174.624.8-32.9000109.9V333P172-V333 HydrophobicContact CG-CG2 4.37Å
173P61.3Low54Low107 Ų10781.6 Ų81.670%0.69546%0.464SS*.PPolyproline II helixtrans-48.9143.7172.1-25.734.2000110.8
174G57.4Low53.8Low10 Ų1083 Ų8310%0.10347%0.47CS..PPolyproline II helixtrans-57.5152.117400000111.2G221 G332G174-G221 PolarHBondContact N-O 2.88Å; G174-G332 VanDerWaalsContact CA-CA 3.47Å
175E54.4Low53.7Low163 Ų16383.3 Ų83.376%0.76248%0.482SS*.PPolyproline II helixtrans-55.2144.6173.8-63.9-177160.200110.1G177E175-G177 PolarHBondContact O-N 3.47Å
176D53.9Low53.5Low121 Ų12186.4 Ų86.465%0.64751%0.514SS*.PPolyproline II helixtrans-53.5136.7179-70.3-31.2000109.7P224D176-P224 WeakPolarHBondContact OD1-CD 3.38Å; D176-P224 WeakPolarHBondContact OD1-CG 3.5Å
177G49.6Very low52.9Low5 Ų587.7 Ų87.75%0.05253%0.525CS..PPolyproline II helixtrans-60143.3177.400000110.4E175 D179 I327 G329E175-G177 PolarHBondContact O-N 3.47Å; G177-D179 PolarHBondContact O-N 3.37Å; G177-I327 WeakPolarHBondContact CA-O 3.4Å; G177-G329 VanDerWaalsContact CA-CA 3.4Å
178A49.6Very low52.4Low79 Ų7990.4 Ų90.465%0.65353%0.534SS*.PPolyproline II helixtrans-51.7133.6177.300000110.4
179D50.5Low51.7Low118 Ų11894 Ų9463%0.63157%0.571SS**PPolyproline II helixtrans-49.7143.3178.9-68.6-40.8000110.7G177 R181G177-D179 PolarHBondContact O-N 3.37Å; D179-R181 PolarHBondContact O-N 3.27Å
180G49Very low50.5Low9 Ų995.8 Ų95.89%0.09359%0.585CS.*PPolyproline II helixtrans-55.1131.3172.200000108.9D182G180-D182 PolarHBondContact O-N 2.95Å
181R49.2Very low49.5Very low224 Ų22497.2 Ų97.285%0.84559%0.594SS**PPolyproline II helixtrans-57.4133.4177.3-62-176.3-170.6-179.23.1108.6D179 G183D179-R181 PolarHBondContact O-N 3.27Å; R181-G183 PolarHBondContact O-N 3.19Å
182D46.9Very low48.4Very low106 Ų106100.8 Ų100.857%0.56763%0.632SS**PPolyproline II helixtrans-47.4135.5169.5-65.1-32.8000108.9G180 E184 P230G180-D182 PolarHBondContact O-N 2.95Å; D182-E184 PolarHBondContact O-N 2.99Å; D182-P230 VanDerWaalsContact OD1-CD 3.27Å; D182-P230 WeakPolarHBondContact OD1-CD 3.46Å; D182-P230 WeakPolarHBondContact OD1-CG 3.43Å
183G47.4Very low47.4Very low30 Ų30108.3 Ų108.331%0.30965%0.65SS.*PPolyproline II helixtrans-57.7131.7169.500000108.3R181 P185R181-G183 PolarHBondContact O-N 3.19Å; G183-P185 WeakPolarHBondContact O-CD 3.35Å; G183-P185 VanDerWaalsContact O-N 3.07Å
184E47.1Very low46.2Very low192 Ų192111.3 Ų111.390%0.89766%0.66SS**PPolyproline II helixtrans-50117.5-175.8-76.2178107.900110.5D182D182-E184 PolarHBondContact O-N 2.99Å
185P49.8Very low45Very low111 Ų111114.8 Ų114.872%0.72170%0.695SS**PPolyproline II helixtrans-61.5143.2162.4-18.933.2000108.5G183 S187G183-P185 WeakPolarHBondContact O-CD 3.35Å; G183-P185 VanDerWaalsContact O-N 3.07Å; P185-S187 PolarHBondContact O-N 3.46Å
186G46.2Very low44.1Very low71 Ų71114.9 Ų114.973%0.73269%0.694SS**PPolyproline II helixtrans-48.2137.4174.800000111.2D188G186-D188 PolarHBondContact O-N 3.49Å
187S40.4Very low43.2Very low121 Ų121116.3 Ų116.385%0.84671%0.706SS**  trans-68.1112.5-16552.70000113.3P185P185-S187 PolarHBondContact O-N 3.46Å
188D49.4Very low42.5Very low159 Ų159122.2 Ų122.285%0.8574%0.736SS**PPolyproline II helixtrans-95.3137.4158.3-70.9-29.8000110.1G186G186-D188 PolarHBondContact O-N 3.49Å
189G40.6Very low42.6Very low79 Ų79123.5 Ų123.581%0.81474%0.738SS**PPolyproline II helixtrans-64.4145.8-168.100000115.8
190S37.1Very low42.3Very low124 Ų124122.4 Ų122.487%0.86774%0.737SS**PPolyproline II helixtrans-88.7139-167.8-32.70000114.8
191P42.2Very low41.6Very low126 Ų126131 Ų13182%0.81878%0.775SS**  trans-132.91341469.313.2000115.4
192G34.9Very low41.4Very low82 Ų82123.9 Ų123.985%0.84577%0.771SS**  trans81.5116.7140.900000120
193R38.5Very low41.3Very low237 Ų237125 Ų12589%0.89478%0.784SS**  trans-103.3160.2178.6-59.7174.7178.6-178.9-1.5111.3
194D35.4Very low41.1Very low171 Ų171130.1 Ų130.191%0.91481%0.809SS**  trans163.5148.8141.1-73.9-24000108.3
195G33.8Very low40.9Very low82 Ų82126.6 Ų126.685%0.84580%0.803SS**  cis-169.6167.14.200000109.9
196K33.9Very low40.4Very low166 Ų166130.6 Ų130.672%0.72281%0.812SS**  trans-96.6151.3-157.6175.9-176-175.4-169.70114.5
197V36.2Very low40.6Very low151 Ų151132.4 Ų132.492%0.91581%0.811SS**  trans-142.8144.3155.3-175.70000110.8
198L34Very low40.4Very low128 Ų128132.2 Ų132.267%0.6781%0.808SS**  trans-115.6175.6-165.5-88.4170000111.8
199P51Low40.4Very low107 Ų107133.7 Ų133.770%0.69581%0.809SS**  trans-104.7-145.4-153.847.5-38.3000111.4
200P46.2Very low40.9Very low95 Ų95137.7 Ų137.762%0.61781%0.81SS**  cis-134.9-162.5-29.736.4-15.5000112.8
201E32.8Very low41.4Very low190 Ų190134.5 Ų134.589%0.88879%0.787SS**  trans90.5123143-81.4164.4174.100121.8
202G46.5Very low41.9Very low73 Ų73134.5 Ų134.575%0.75378%0.78SS**  trans-154.7152.1167.100000111.8
203P43.7Very low42.8Very low130 Ų130133.2 Ų133.284%0.84476%0.757SS**PPolyproline II helixtrans-103.1155.4-142.629.9-17.1000115.4
204V43.5Very low43.5Very low138 Ų138121.9 Ų121.984%0.83671%0.714SS**PPolyproline II helixtrans-81.6134.8-170.4-146.80000111.7
205P42.5Very low44.6Very low118 Ų118119.5 Ų119.577%0.76670%0.699SS**PPolyproline II helixtrans-84.6137177.931.6-31.3000112.7
206E39.9Very low46Very low195 Ų195116.6 Ų116.691%0.91167%0.667SS**PPolyproline II helixtrans-69.6125.7-173.9-63.6172152.400113.4
207P49.6Very low47.3Very low109 Ų109108.8 Ų108.871%0.70863%0.633SS**PPolyproline II helixtrans-101.2148.7177.433-25.9000114.5
208C36.7Very low48.5Very low116 Ų116105.5 Ų105.578%0.78462%0.615SS**PPolyproline II helixtrans-64.9137.5-171.9-52.30000114.8I210C208-I210 PolarHBondContact O-N 3.3Å
209Q50.4Low49.9Very low190 Ų190102.4 Ų102.489%0.88860%0.602SS**SBendtrans-82.9-3.3-164.7-92.5175.1-35.300118.3
210I50.8Low50.2Low163 Ų16397.5 Ų97.584%0.83657%0.572SS**SBendtrans-105.1-28.9-167.4-63.2163.4000113.9C208C208-I210 PolarHBondContact O-N 3.3Å
211C46.2Very low50.7Low57 Ų5795.7 Ų95.739%0.38557%0.57SS.*SBendtrans-115.197174.8-56.70000107P213 P340C211-P213 WeakPolarHBondContact O-CD 3.37Å; C211-P340 HydrophobicContact CB-CB 4.06Å
212L53.7Low52.2Low127 Ų12789.5 Ų89.567%0.66555%0.551SS**PPolyproline II helixtrans-55119.4176.9-83.688.3000107.9
213P52.7Low52.4Low54 Ų5486.2 Ų86.235%0.35152%0.517SS..PPolyproline II helixtrans-52.7145.7170.1-26.136.6000109.5C211C211-P213 WeakPolarHBondContact O-CD 3.37Å
214G54.7Low52.9Low0 Ų084 Ų840%050%0.503CS..BIsolated β-bridgetrans-53.2147.6178.100000110.6A216 S337 G338G214-A216 PolarHBondContact O-N 2.88Å; G214-S337 WeakPolarHBondContact O-CA 3.41Å; G214-S337 WeakPolarHBondContact O-CB 3.4Å; G214-S337 PolarHBondContact O-OG 3.36Å; G214-S337 VanDerWaalsContact O-OG 3.05Å; G214-G338 PolarHBondContact N-O 3.17Å; G214-G338 PolarHBondContact O-N 2.98Å
215M58.7Low53.5Low120 Ų12083.3 Ų83.359%0.59149%0.489SS*.PPolyproline II helixtrans-48132.4179.9-69.4-178.97600109.9G217M215-G217 PolarHBondContact O-N 2.91Å
216A63.2Low53.9Low22 Ų2278.1 Ų78.118%0.18246%0.457CS..PPolyproline II helixtrans-54.4134.8178.900000110.2G214 R334 G335G214-A216 PolarHBondContact O-N 2.88Å; A216-R334 HydrophobicContact CB-CG 3.93Å; A216-R334 VanDerWaalsContact CB-CZ 3.4Å; A216-R334 VanDerWaalsContact O-CZ 3.24Å; A216-R334 PolarHBondContact O-NE 2.92Å; A216-R334 PolarHBondContact O-NH2 3.28Å; A216-G335 VanDerWaalsContact CB-O 3.31Å; A216-G335 WeakPolarHBondContact CB-O 3.35Å
217G61Low54.4Low1 Ų172.9 Ų72.91%0.0144%0.44CS..PPolyproline II helixtrans-58.1160.8-173.400000111.9M215 R334 G335M215-G217 PolarHBondContact O-N 2.91Å; G217-R334 WeakPolarHBondContact O-CG 3.46Å; G217-G335 PolarHBondContact N-O 3.49Å
218P61.8Low54.7Low82 Ų8273 Ų7353%0.53244%0.441SS..PPolyproline II helixtrans-56.8150.2177.824.5-33000111.1
219P61.7Low55.4Low63 Ų6368.3 Ų68.341%0.40941%0.411SS..BIsolated β-bridgetrans-55.2141174.3-20.130.4000111.2Q331 G332P219-Q331 HydrophobicContact CB-CG 4.03Å; P219-G332 WeakPolarHBondContact CB-O 3.34Å
220G57.2Low55.5Low5 Ų563.8 Ų63.85%0.05240%0.399CS..PPolyproline II helixtrans-57.4152.3176.700000111.6Q331 G332G220-Q331 VanDerWaalsContact O-CG 3.23Å; G220-Q331 WeakPolarHBondContact O-CG 3.28Å; G220-G332 PolarHBondContact N-O 3.3Å; G220-G332 PolarHBondContact O-N 3.47Å
221G58.1Low55.8Low56 Ų5663.8 Ų63.858%0.57739%0.393SS*.PPolyproline II helixtrans-56.5155.1172.800000111.6G174G174-G221 PolarHBondContact N-O 2.88Å
222A63.3Low56Low60 Ų6063 Ų6350%0.49639%0.394SS..BIsolated β-bridgetrans-58.4139.4173.600000110.5I328A222-I328 HydrophobicContact CB-CG2 3.6Å
223G51.5Low55.9Low4 Ų466.5 Ų66.54%0.04140%0.404CS..PPolyproline II helixtrans-58152.5177.200000111.6
224P53.9Low55.9Low85 Ų8570 Ų7055%0.55243%0.426SS*.PPolyproline II helixtrans-57.8152.4177.627-33.7000110.9D176 G226D176-P224 WeakPolarHBondContact OD1-CD 3.38Å; D176-P224 WeakPolarHBondContact OD1-CG 3.5Å; P224-G226 PolarHBondContact O-N 3.49Å
225K57.1Low55.8Low123 Ų12372.5 Ų72.554%0.53545%0.453SS..PPolyproline II helixtrans-66.2128.5176.7-169.2-179.7-172.6172.20109.4G326K225-G326 WeakPolarHBondContact CE-O 3.32Å; K225-G326 VanDerWaalsContact CG-O 3.24Å; K225-G326 WeakPolarHBondContact CG-O 3.5Å
226G49.7Very low55.5Low9 Ų971.3 Ų71.39%0.09346%0.462CS..PPolyproline II helixtrans-55.8150.417500000112.2P224P224-G226 PolarHBondContact O-N 3.49Å
227P50.3Low55.1Low85 Ų8576.2 Ų76.255%0.55249%0.492SS*.PPolyproline II helixtrans-60.5154.4-178.225.9-33.7000111.8G229P227-G229 PolarHBondContact O-N 3.48Å
228P56.3Low54.6Low112 Ų11279.1 Ų79.173%0.72752%0.522SS*.PPolyproline II helixtrans-58.7137.3171.3-21.432.9000111
229G50.9Low53.9Low16 Ų1683.4 Ų83.417%0.16554%0.54CS..PPolyproline II helixtrans-58.9151.7177.500000112.6P227P227-G229 PolarHBondContact O-N 3.48Å
230P53.4Low53.4Low96 Ų9688.3 Ų88.362%0.62356%0.562SS**PPolyproline II helixtrans-59.2149.6-179.425-34.4000112.6D182D182-P230 VanDerWaalsContact OD1-CD 3.27Å; D182-P230 WeakPolarHBondContact OD1-CD 3.46Å; D182-P230 WeakPolarHBondContact OD1-CG 3.43Å
231K55.9Low53Low162 Ų16291.1 Ų91.170%0.70459%0.592SS**PPolyproline II helixtrans-64.2134.1176.9-171.6176.1-179.71770110.1
232G51.5Low52.4Low40 Ų4098.7 Ų98.741%0.41261%0.609SS.*PPolyproline II helixtrans-54146.117800000113.2
233K50.5Low51.7Low201 Ų201107.3 Ų107.387%0.87463%0.628SS**PPolyproline II helixtrans-67.6148.2-177.9-66.2-178.2-178.4178.20111.3
234P54.5Low51.6Low127 Ų127110.5 Ų110.583%0.82566%0.661SS**PPolyproline II helixtrans-58.2142.5174-23.133.8000112.3
235G51.6Low51.1Low54 Ų54115.8 Ų115.856%0.55768%0.678SS**PPolyproline II helixtrans-60.9154.2178.300000113.5
236A51.5Low50.7Low95 Ų95121.5 Ų121.579%0.78570%0.696SS**PPolyproline II helixtrans-65.4148.3-176.900000112.6
237P54.9Low50.6Low125 Ų125124.2 Ų124.281%0.81272%0.724SS**PPolyproline II helixtrans-59.7142.5175.2-23.133.9000112.8
238G51.6Low50.4Low62 Ų62129.4 Ų129.464%0.63974%0.743SS**PPolyproline II helixtrans-62.2151.6177.900000113.2
239L46.9Very low50.3Low172 Ų172131 Ų13190%0.90175%0.751SS**PPolyproline II helixtrans-74141.3-178.8-65.5173000112.1
240D50.4Low50.4Low165 Ų165133.3 Ų133.388%0.88277%0.774SS**PPolyproline II helixtrans-60137.9179.9-76.8-36.9000112.9
241G48.8Very low50.2Low65 Ų65133.8 Ų133.867%0.6779%0.786SS**PPolyproline II helixtrans-63148.5-178.900000114
242K45.3Very low50.3Low215 Ų215134.7 Ų134.794%0.93579%0.793SS**PPolyproline II helixtrans-66143.7-178.6-69.2-170.7176.5-1770112.4
243R50.4Low50.4Low241 Ų241135.4 Ų135.491%0.90980%0.801SS**PPolyproline II helixtrans-64.9131.8179.1-169.7-176.4-48.9-160.73.8111.1
244G48.4Very low50.5Low70 Ų70131.8 Ų131.872%0.72280%0.797SS**PPolyproline II helixtrans-63.6154.3178.400000113.9
245E42.9Very low50.7Low197 Ų197131.9 Ų131.992%0.92180%0.798SS**PPolyproline II helixtrans-73.5156.5-177.5-68.2-176.2155.900113.4
246R48.7Very low50.8Low243 Ų243132.6 Ų132.692%0.91781%0.806SS**PPolyproline II helixtrans-74.7134.4-176-174.5-175.3-62.9175.80.5111
247G49Very low50.8Low65 Ų65140 Ų14067%0.6781%0.813SS**PPolyproline II helixtrans-64.3153.6177.800000114.4
248M44.1Very low50.8Low195 Ų195140.7 Ų140.796%0.96182%0.815SS**PPolyproline II helixtrans-75.5151-177.3-67.517974.700113.4
249V55.5Low50.8Low146 Ų146140.8 Ų140.889%0.88582%0.815SS**PPolyproline II helixtrans-70.3135.2-179.7-179.40000110.9
250G52.6Low51Low63 Ų63140.3 Ų140.365%0.64981%0.814SS**PPolyproline II helixtrans-69.4154.3-179.300000114.3
251A49.3Very low51.3Low106 Ų106137.4 Ų137.488%0.87681%0.805SS**PPolyproline II helixtrans-72.9153.9-174.800000114.4
252E57.2Low51.7Low181 Ų181136.6 Ų136.685%0.84680%0.797SS**PPolyproline II helixtrans-64.7140.8-179.7-169175175.900112.6
253G54.2Low52Low56 Ų56132.6 Ų132.658%0.57779%0.793SS**PPolyproline II helixtrans-75.3155.1-176.100000114.2
254P53.3Low52.5Low124 Ų124127.8 Ų127.881%0.80578%0.779SS**PPolyproline II helixtrans-72.7154.5-174.628.5-34.5000114
255P57.5Low53Low130 Ų130126.5 Ų126.584%0.84477%0.765SS**PPolyproline II helixtrans-62.1146.5178.5-22.233.3000114.5
256G54.5Low53.5Low69 Ų69123.1 Ų123.171%0.71176%0.761SS**PPolyproline II helixtrans-68.1154-179.900000114.5
257R50.7Low54.1Low251 Ų251116.4 Ų116.495%0.94775%0.747SS**PPolyproline II helixtrans-77.1150.1-178.2-71.8-176.7170.4175.7-3.2112.7
258V54.9Low54.4Low139 Ų139116.3 Ų116.384%0.84275%0.745SS**PPolyproline II helixtrans-67.5136.8178-177.50000110.1
259G51.7Low54.5Low63 Ų63115.1 Ų115.165%0.64974%0.743SS**PPolyproline II helixtrans-74.5151.8-179.100000113.6
260D51.4Low54.1Low162 Ų162114.8 Ų114.887%0.86674%0.736SS**PPolyproline II helixtrans-74.1154.5-175.8-65.4-44000113.6
261C57.9Low53.9Low104 Ų104114.7 Ų114.770%0.70374%0.735SS**PPolyproline II helixtrans-67.3138.8-178.3-167.30000112.2
262G55.4Low53.7Low49 Ų49119.9 Ų119.951%0.50574%0.738SS.*PPolyproline II helixtrans-69.3154.4-177.900000114
263P53.5Low53.4Low131 Ų131119.1 Ų119.185%0.85174%0.739SS**PPolyproline II helixtrans-67.2150.4-177.326.9-33.6000113
264K59Low53.2Low139 Ų139123.1 Ų123.160%0.60475%0.745SS**PPolyproline II helixtrans-62.1137.1-179.5-171.2176.3-179.7178.30111.2
265G59.1Low52.9Low43 Ų43126.7 Ų126.744%0.44375%0.752SS.*PPolyproline II helixtrans-63.9155.5-179.200000113.7
266P54.4Low52.3Low127 Ų127127.5 Ų127.583%0.82575%0.747SS**PPolyproline II helixtrans-65.5153.9-178.827.1-33.6000112.5
267V61.2Low52.3Low102 Ų102129.4 Ų129.462%0.61875%0.745SS**PPolyproline II helixtrans-66.1134.7177178.20000109.1
268G56.2Low52.6Low62 Ų62119.6 Ų119.664%0.63972%0.722SS**PPolyproline II helixtrans-69.2145.1-177.100000112.8
269D45.6Very low52.5Low171 Ų171118.7 Ų118.791%0.91472%0.719SS**PPolyproline II helixtrans-65.4143.4-177.2-67.4-50.1000113.2
270D46.8Very low53.1Low138 Ų138119.8 Ų119.874%0.73872%0.715SS**PPolyproline II helixtrans-64.4132.4-171.5-69.5-40.7000114.1K272D270-K272 PolarHBondContact O-N 3.08Å
271G49.2Very low53.7Low61 Ų61113.8 Ų113.863%0.62969%0.691SS**  trans-75106.4174.300000112.1L273G271-L273 PolarHBondContact O-N 2.91Å
272K43.7Very low53.5Low215 Ų215114.4 Ų114.494%0.93569%0.694SS**THydrogen-bonded Turntrans-67.387174.9-162.6-177.9-164.6-1740111.4D270D270-K272 PolarHBondContact O-N 3.08Å
273L52.4Low53.8Low165 Ų165117.4 Ų117.486%0.86470%0.704SS**THydrogen-bonded Turntrans178.3-13.3136.4-163.253.4000111.8G271G271-L273 PolarHBondContact O-N 2.91Å
274I48.1Very low54Low140 Ų140113.2 Ų113.272%0.71869%0.686SS**SBendtrans-146.1110.1177.4-43.2172.8000107.9I276I274-I276 PolarHBondContact O-N 3.37Å
275E48.2Very low53.7Low200 Ų200112.2 Ų112.294%0.93569%0.693SS**  trans-69.188.4-175.6-68.9179.4172.200111.6
276I45Very low53.7Low146 Ų146115.7 Ų115.775%0.74971%0.708SS**  trans-123.1108159.8-60.2176.4000106.7I274 G278I274-I276 PolarHBondContact O-N 3.37Å; I276-G278 PolarHBondContact O-N 2.94Å; I276-G278 VanDerWaalsContact O-N 3.16Å
277T54.2Low53.8Low110 Ų110112.4 Ų112.468%0.67570%0.697SS**PPolyproline II helixtrans-54.6117.7172.2-50.90000109.3
278G56.5Low53.2Low45 Ų45114.2 Ų114.246%0.46471%0.709SS.*PPolyproline II helixtrans-65.4142.8178.900000111.5I276I276-G278 PolarHBondContact O-N 2.94Å; I276-G278 VanDerWaalsContact O-N 3.16Å
279P53.5Low53.2Low120 Ų120120.3 Ų120.378%0.77972%0.721SS**PPolyproline II helixtrans-60.8149.4178.324.8-33000111.4G281P279-G281 PolarHBondContact O-N 3.24Å
280P63.6Low53.7Low85 Ų85114.5 Ų114.555%0.55270%0.701SS**PPolyproline II helixtrans-53.8136.6178.9-24.932.7000112.2
281G63.9Low53.8Low37 Ų37114.1 Ų114.138%0.38171%0.706SS.*PPolyproline II helixtrans-57.2150.4176.800000112.7P279P279-G281 PolarHBondContact O-N 3.24Å
282P54.3Low54.3Low116 Ų116120.5 Ų120.575%0.75372%0.717SS**PPolyproline II helixtrans-60.9151.9-179.324.8-33.1000111.9
283P60.4Low55Low112 Ų112112.4 Ų112.473%0.72769%0.694SS**PPolyproline II helixtrans-53.9139.2173.6-23.833.6000111.7
284G59.4Low55Low44 Ų44110.2 Ų110.245%0.45469%0.69SS.*PPolyproline II helixtrans-63.3155.5175.500000112.1
285P51.5Low55.7Low117 Ų117109.6 Ų109.676%0.7669%0.694SS**PPolyproline II helixtrans-61.1153.1179.325.3-33.4000112.1G287P285-G287 PolarHBondContact O-N 3.43Å
286P59.9Low56.2Low116 Ų116102.9 Ų102.975%0.75368%0.679SS**PPolyproline II helixtrans-53.4137.9176.5-24.533.3000112
287G56.8Low56.4Low59 Ų59101.7 Ų101.761%0.60868%0.681SS**PPolyproline II helixtrans-58.7140.7175.400000111.3P285P285-G287 PolarHBondContact O-N 3.43Å
288T47.5Very low56.8Low140 Ų140102.4 Ų102.486%0.85969%0.687SS**PPolyproline II helixtrans-61.3145.3175.449.60000110.8G290T288-G290 PolarHBondContact O-N 3.03Å
289Q57Low56.8Low190 Ų190103.2 Ų103.289%0.88870%0.696SS**PPolyproline II helixtrans-49.6122.7175.7-176.3174.229.100110.4
290G56.6Low56.4Low49 Ų49107.1 Ų107.151%0.50570%0.7SS.*PPolyproline II helixtrans-60.4149175.800000111.2T288T288-G290 PolarHBondContact O-N 3.03Å
291P48.4Very low56.1Low129 Ų129110.6 Ų110.684%0.83871%0.714SS**PPolyproline II helixtrans-58.7149.6179.724.5-33.3000111.5G293P291-G293 PolarHBondContact O-N 3.28Å
292K60Low55.6Low196 Ų196112 Ų11285%0.85273%0.728SS**PPolyproline II helixtrans-50.3125.6175.5-174.3177.7179.3178.40109
293G57.8Low55.1Low44 Ų44114.8 Ų114.845%0.45473%0.734SS.*PPolyproline II helixtrans-55.8147176.200000111P291P291-G293 PolarHBondContact O-N 3.28Å
294P51.7Low54.9Low120 Ų120115.2 Ų115.278%0.77974%0.736SS**PPolyproline II helixtrans-58.5152.3178.324.9-33.3000110.8G296P294-G296 PolarHBondContact O-N 2.87Å
295P63.3Low54.5Low126 Ų126116.5 Ų116.582%0.81875%0.75SS**PPolyproline II helixtrans-49.8136.9174.5-25.233.6000111
296G58.3Low54Low59 Ų59119.1 Ų119.161%0.60876%0.757SS**PPolyproline II helixtrans-56.7149.4173.900000110.7P294P294-G296 PolarHBondContact O-N 2.87Å
297P50.1Low53.6Low121 Ų121123 Ų12379%0.78676%0.762SS**PPolyproline II helixtrans-56.8147.7177.524.4-33000110.3G299P297-G299 PolarHBondContact O-N 3.3Å
298P62.4Low53.4Low125 Ų125122.6 Ų122.681%0.81276%0.758SS**PPolyproline II helixtrans-48.9135.4175.4-26.233.6000110.7K300P298-K300 PolarHBondContact O-N 3.48Å
299G57.1Low53.2Low62 Ų62121.5 Ų121.564%0.63975%0.753SS**PPolyproline II helixtrans-53.1130.117300000109.2P297 D301P297-G299 PolarHBondContact O-N 3.3Å; G299-D301 PolarHBondContact O-N 3.01Å
300K45.2Very low53.2Low202 Ų202118 Ų11888%0.87875%0.747SS**PPolyproline II helixtrans-47.8133.1173.841.3-179.1167.5178.10109.7P298 G302P298-K300 PolarHBondContact O-N 3.48Å; K300-G302 PolarHBondContact O-N 2.9Å
301D56.5Low53Low158 Ų158118.6 Ų118.685%0.84575%0.752SS**  trans-45.7128.7178.1-71-37.4000109.4G299 M303G299-D301 PolarHBondContact O-N 3.01Å; D301-M303 PolarHBondContact O-N 3.42Å
302G52.7Low52.6Low66 Ų66120.1 Ų120.168%0.6875%0.754SS**PPolyproline II helixtrans-53131.2173.300000108.4K300K300-G302 PolarHBondContact O-N 2.9Å
303M44.9Very low52.3Low175 Ų175119.5 Ų119.586%0.86275%0.754SS**PPolyproline II helixtrans-49.9138177.4-71.3-174.468.300109D301 G305D301-M303 PolarHBondContact O-N 3.42Å; M303-G305 PolarHBondContact O-N 3.35Å; M303-G305 VanDerWaalsContact O-N 3.1Å
304P56.2Low52Low121 Ų121119.2 Ų119.279%0.78675%0.751SS**PPolyproline II helixtrans-47.8125.1173.9-25.832.9000108.8L306P304-L306 PolarHBondContact O-N 3.21Å
305G50.8Low51.8Low72 Ų72119.2 Ų119.274%0.74275%0.751SS**PPolyproline II helixtrans-50131.1176.100000108.5M303 K307M303-G305 PolarHBondContact O-N 3.35Å; M303-G305 VanDerWaalsContact O-N 3.1Å; G305-K307 PolarHBondContact O-N 3.49Å
306L41.4Very low51.4Low172 Ų172118.8 Ų118.890%0.90175%0.748SS**PPolyproline II helixtrans-49.7131.1177.9-71.2169.4000108P304 G308P304-L306 PolarHBondContact O-N 3.21Å; L306-G308 PolarHBondContact O-N 2.94Å
307K51.6Low51Low197 Ų197118.3 Ų118.386%0.85774%0.743SS**PPolyproline II helixtrans-49118.8172.3-176.1179.3178.3-179.40106.1G305G305-K307 PolarHBondContact O-N 3.49Å
308G51.2Low50.8Low51 Ų51120.3 Ų120.353%0.52675%0.747SS.*PPolyproline II helixtrans-50.7145.8175.500000108.8L306L306-G308 PolarHBondContact O-N 2.94Å
309P44Very low50.4Low117 Ų117121.1 Ų121.176%0.7674%0.742SS**PPolyproline II helixtrans-50.4145.9176.122.9-32.5000109.1G311P309-G311 PolarHBondContact O-N 3.42Å
310P58Low50.2Low117 Ų117120 Ų12076%0.7673%0.73SS**  trans-45.1131.8170.9-24.332.9000108.5D312P310-D312 PolarHBondContact O-N 2.91Å
311G51.7Low50.4Low60 Ų60115.4 Ų115.462%0.61972%0.723SS**PPolyproline II helixtrans-52.7138174.600000108.5P309 Q313P309-G311 PolarHBondContact O-N 3.42Å; G311-Q313 PolarHBondContact O-N 2.97Å
312D40.5Very low50.5Low162 Ų162112.3 Ų112.387%0.86672%0.72SS**PPolyproline II helixtrans-50.6134.5177-70.8-36.9000108.6P310 G314P310-D312 PolarHBondContact O-N 2.91Å; D312-G314 PolarHBondContact O-N 3.16Å
313Q52.1Low50.5Low182 Ų182110 Ų11085%0.8570%0.697SS**PPolyproline II helixtrans-51.4118.8175.8-177.5176.96.500107.2G311G311-Q313 PolarHBondContact O-N 2.97Å
314G52.1Low51Low38 Ų38105.9 Ų105.939%0.39269%0.685SS.*PPolyproline II helixtrans-50144.2174.200000109.1D312D312-G314 PolarHBondContact O-N 3.16Å
315P47.1Very low51.1Low120 Ų120104.2 Ų104.278%0.77967%0.674SS**PPolyproline II helixtrans-50.1141.1-178.521.8-32.8000109.4G317P315-G317 PolarHBondContact O-N 3.06Å; P315-G317 VanDerWaalsContact O-N 3.12Å
316P55.1Low51.2Low117 Ų117101 Ų10176%0.7664%0.64SS**PPolyproline II helixtrans-47.3126.9175.1-25.733000108.7D318P316-D318 PolarHBondContact O-N 3.46Å
317G51.2Low52.2Low49 Ų4999.1 Ų99.151%0.50563%0.63SS.*PPolyproline II helixtrans-51140.1176.300000109.4P315 M319P315-G317 PolarHBondContact O-N 3.06Å; P315-G317 VanDerWaalsContact O-N 3.12Å; G317-M319 PolarHBondContact O-N 3.12Å
318D46.1Very low52.8Low163 Ų16395.1 Ų95.187%0.87262%0.617SS**PPolyproline II helixtrans-49.2136.4-177.6-71.9-38.8000110.1P316 G320P316-D318 PolarHBondContact O-N 3.46Å; D318-G320 PolarHBondContact O-N 2.97Å
319M53.8Low52.9Low142 Ų14292.9 Ų92.970%0.759%0.594SS**  trans-56115.6176.9174.7165162.900107.9G317 S321G317-M319 PolarHBondContact O-N 3.12Å; M319-S321 PolarHBondContact O-N 3.27Å
320G52.6Low53.7Low38 Ų3891.6 Ų91.639%0.39259%0.585SS.*PPolyproline II helixtrans-48.3133.8176.700000109.9D318 A322D318-G320 PolarHBondContact O-N 2.97Å; G320-A322 PolarHBondContact O-N 3.37Å
321S49.9Very low53.9Low106 Ų10692.5 Ų92.574%0.74158%0.58SS**PPolyproline II helixtrans-53137.4-179.2-44.40000109.4M319 G323M319-S321 PolarHBondContact O-N 3.27Å; S321-G323 PolarHBondContact O-N 2.88Å
322A58.1Low54.2Low93 Ų9389.8 Ų89.877%0.76955%0.552SS**PPolyproline II helixtrans-54.8129.7176.600000109.3G320 S324G320-A322 PolarHBondContact O-N 3.37Å; A322-S324 PolarHBondContact O-N 3.48Å
323G52.9Low55.4Low19 Ų1987.2 Ų87.220%0.19654%0.542CS..PPolyproline II helixtrans-51.9139.7177.900000110.5S321S321-G323 PolarHBondContact O-N 2.88Å
324S54.1Low56Low87 Ų8785.3 Ų85.361%0.60853%0.527SS*.PPolyproline II helixtrans-57.6138.2177.3-61.90000108.8A322 G326A322-S324 PolarHBondContact O-N 3.48Å; S324-G326 PolarHBondContact O-N 3.19Å
325P59.1Low56.3Low86 Ų8683.6 Ų83.656%0.55851%0.509SS*.PPolyproline II helixtrans-58.4137.4177.8-19.829.7000110.9
326G53.7Low57.1Low4 Ų482 Ų824%0.04150%0.499CS..PPolyproline II helixtrans-51.5147.1177.800000112.3K225 S324K225-G326 WeakPolarHBondContact CE-O 3.32Å; K225-G326 VanDerWaalsContact CG-O 3.24Å; K225-G326 WeakPolarHBondContact CG-O 3.5Å; S324-G326 PolarHBondContact O-N 3.19Å
327I60.7Low57.5Low133 Ų13379.6 Ų79.668%0.68249%0.485SS*.PPolyproline II helixtrans-73.7143.9179.1-56.2175.2000107.7G177 G329G177-I327 WeakPolarHBondContact CA-O 3.4Å; I327-G329 PolarHBondContact O-N 3.47Å
328I64.9Low57.7Low113 Ų11377.3 Ų77.358%0.57946%0.462SS*.PPolyproline II helixtrans-62.1130.7173.2-67.7168.5000108.1A222A222-I328 HydrophobicContact CB-CG2 3.6Å
329G54.2Low58.3Low4 Ų473.6 Ų73.64%0.04145%0.446CS..PPolyproline II helixtrans-58.5152.5179.400000112.2G177 I327G177-G329 VanDerWaalsContact CA-CA 3.4Å; I327-G329 PolarHBondContact O-N 3.47Å
330P60.8Low58.4Low90 Ų9070.8 Ų70.858%0.58444%0.438SS*.PPolyproline II helixtrans-56.3151.1177.925.5-33.2000110.8G332P330-G332 PolarHBondContact O-N 2.87Å
331Q62.1Low58.5Low136 Ų13670.1 Ų70.164%0.63643%0.432SS*.BIsolated β-bridgetrans-57.4133.3175.4-171.71731200109.7P219 G220P219-Q331 HydrophobicContact CB-CG 4.03Å; G220-Q331 VanDerWaalsContact O-CG 3.23Å; G220-Q331 WeakPolarHBondContact O-CG 3.28Å
332G57.5Low58.7Low4 Ų469.6 Ų69.64%0.04143%0.428CS..PPolyproline II helixtrans-58.6146.8-179.900000111.8G174 P219 G220 P330G174-G332 VanDerWaalsContact CA-CA 3.47Å; P219-G332 WeakPolarHBondContact CB-O 3.34Å; G220-G332 PolarHBondContact N-O 3.3Å; G220-G332 PolarHBondContact O-N 3.47Å; P330-G332 PolarHBondContact O-N 2.87Å
333V65.7Low58.3Low108 Ų10867.1 Ų67.166%0.65541%0.405SS*.PPolyproline II helixtrans-60.4152.6179.3-67.30000111.1P172 G335P172-V333 HydrophobicContact CG-CG2 4.37Å; V333-G335 PolarHBondContact O-N 2.98Å
334R64.6Low58.6Low141 Ų14172.2 Ų72.253%0.53243%0.428SS..BIsolated β-bridgetrans-55.1131.6177.2-163.8-178.2-179.5-175.6-6110.1A216 G217A216-R334 HydrophobicContact CB-CG 3.93Å; A216-R334 VanDerWaalsContact CB-CZ 3.4Å; A216-R334 VanDerWaalsContact O-CZ 3.24Å; A216-R334 PolarHBondContact O-NE 2.92Å; A216-R334 PolarHBondContact O-NH2 3.28Å; G217-R334 WeakPolarHBondContact O-CG 3.46Å
335G58.5Low58.6Low2 Ų276.7 Ų76.72%0.02144%0.438CS..PPolyproline II helixtrans-63.1154.1179.500000112.4A216 G217 V333A216-G335 VanDerWaalsContact CB-O 3.31Å; A216-G335 WeakPolarHBondContact CB-O 3.35Å; G217-G335 PolarHBondContact N-O 3.49Å; V333-G335 PolarHBondContact O-N 2.98Å
336P63.6Low58.2Low88 Ų8875 Ų7557%0.57143%0.429SS*.PPolyproline II helixtrans-57.7151.1178.625.6-33.4000110.9
337S63.1Low58.1Low65 Ų6580.2 Ų80.246%0.45546%0.462SS..PPolyproline II helixtrans-55.7142.2174-82.50000111.8G214G214-S337 WeakPolarHBondContact O-CA 3.41Å; G214-S337 WeakPolarHBondContact O-CB 3.4Å; G214-S337 PolarHBondContact O-OG 3.36Å; G214-S337 VanDerWaalsContact O-OG 3.05Å
338G55.2Low57.6Low2 Ų279.8 Ų79.82%0.02147%0.465CS..BIsolated β-bridgetrans-63.615717700000111.6G168 G214G168-G338 VanDerWaalsContact CA-CA 3.47Å; G214-G338 PolarHBondContact N-O 3.17Å; G214-G338 PolarHBondContact O-N 2.98Å
339P58.4Low57Low85 Ų8579.9 Ų79.955%0.55247%0.473SS*.PPolyproline II helixtrans-55.6147.217824.2-33000110.9G341P339-G341 PolarHBondContact O-N 2.89Å
340P57.1Low57Low82 Ų8287.2 Ų87.253%0.53250%0.5SS..PPolyproline II helixtrans-53.8135.6176.3-23.832.7000111.4C211C211-P340 HydrophobicContact CB-CB 4.06Å
341G53.9Low56.6Low25 Ų2587.6 Ų87.626%0.25850%0.501SS..PPolyproline II helixtrans-62.9146.2177.400000111.9P339P339-G341 PolarHBondContact O-N 2.89Å
342S53.6Low55.9Low94 Ų9484.8 Ų84.866%0.65750%0.501SS*.PPolyproline II helixtrans-78.3131.7178.369.80000111D344S342-D344 PolarHBondContact O-N 2.88Å; S342-D344 PolarHBondContact OG-OD2 3.33Å
343C51.1Low55.4Low42 Ų4291.3 Ų91.328%0.28454%0.542SS..  trans-86.628.2-179.8-580000113.1H345 C346 R350C343-H345 PolarHBondContact O-N 3.44Å; C343-C346 HydrophobicContact CB-CB 4.24Å; C343-C346 PolarHBondContact O-N 3.38Å; C343-R350 PolarHBondContact O-NH2 3.41Å
344D59Low54.6Low126 Ų12689.5 Ų89.567%0.67455%0.545SS*.THydrogen-bonded Turntrans-62.1-14.8-176.2-70.7-35.8000113.6S342S342-D344 PolarHBondContact O-N 2.88Å; S342-D344 PolarHBondContact OG-OD2 3.33Å
345H54Low53.4Low180 Ų18095.8 Ų95.883%0.83357%0.571SS**THydrogen-bonded Turntrans-105.96.6176.3-59.6-59.5000114.7C343 P347C343-H345 PolarHBondContact O-N 3.44Å; H345-P347 VanDerWaalsContact O-CD 3.25Å; H345-P347 WeakPolarHBondContact O-CD 3.47Å
346C50.1Low53.1Low52 Ų52100.5 Ų100.535%0.35160%0.598SS.*  trans-86.4112.6174.2-76.90000110.7C343 T348C343-C346 HydrophobicContact CB-CB 4.24Å; C343-C346 PolarHBondContact O-N 3.38Å; C346-T348 PolarHBondContact O-N 3.39Å
347P51.7Low52.6Low113 Ų113101.1 Ų101.173%0.73460%0.6SS**PPolyproline II helixtrans-62.1136.4172.825.7-32000110.2H345H345-P347 VanDerWaalsContact O-CD 3.25Å; H345-P347 WeakPolarHBondContact O-CD 3.47Å
348T51Low52Low124 Ų124103.1 Ų103.176%0.76161%0.608SS**SBendtrans-58.3140.4173.646.90000110.8C346C346-T348 PolarHBondContact O-N 3.39Å
349P52.4Low51.8Low115 Ų115109.1 Ų109.175%0.74764%0.642SS**PPolyproline II helixcis-10114116.511.29.1000113T351P349-T351 PolarHBondContact O-N 2.95Å; P349-T351 VanDerWaalsContact O-N 3.09Å
350R52.8Low51.4Low157 Ų157110.6 Ų110.659%0.59265%0.648SS**  trans-87.452.6-178.7-61-168.3-174.8165.65.2112.3C343C343-R350 PolarHBondContact O-NH2 3.41Å
351T53.7Low51Low99 Ų99112.5 Ų112.561%0.60766%0.655SS**SBendtrans-132.3124.6173.5-29.80000108.7P349P349-T351 PolarHBondContact O-N 2.95Å; P349-T351 VanDerWaalsContact O-N 3.09Å
352A47.3Very low50.8Low77 Ų77118.7 Ų118.764%0.63668%0.684SS**  trans-60.6137.4177.400000109.7G354A352-G354 PolarHBondContact O-N 3.29Å
353P46.2Very low50.6Low141 Ų141120.6 Ų120.692%0.91669%0.686SS**THydrogen-bonded Turntrans-64.4111.4179.624-30.2000109.6
354G48.4Very low50.6Low69 Ų69127.2 Ų127.271%0.71172%0.719SS**THydrogen-bonded Turntrans145.5-6.4178.200000116.7A352A352-G354 PolarHBondContact O-N 3.29Å
355Y40Very low49.8Very low273 Ų273127.3 Ų127.3100%1.07172%0.724SS**  trans-135.20167.6-71.3-86.5000109.7

Retrieved 355 of 355 residues in 372.2 ms (Link to these results)