A0A077Z745_TRITR Loading...

Cuticle collagen 14

AlphaFold DB , UniProt , Accession A0A077Z745, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 324 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
1M45.6Very low46.2Very low230 Ų230115.1 Ų115.1100%1.13365%0.646SS**  0-3.10-58.1-152.2-157.400114.5
2G48.8Very low47.1Very low53 Ų53110.5 Ų110.555%0.54663%0.634SS.*  trans-80.1-19.5-175.600000117.3A4 Q5G2-A4 VanDerWaalsContact C-N 3.34Å; G2-A4 PolarHBondContact O-N 3.33Å; G2-Q5 PolarHBondContact O-N 3.45Å
3V45.1Very low48.4Very low126 Ų126109.4 Ų109.476%0.76462%0.623SS**Hα-helixtrans-72.7-27.9-174.7-160.90000112.3
4A41.8Very low49.2Very low70 Ų70104.4 Ų104.458%0.57960%0.602SS**Hα-helixtrans-70.1-32.3177.700000112.4G2 V8G2-A4 VanDerWaalsContact C-N 3.34Å; G2-A4 PolarHBondContact O-N 3.33Å; A4-V8 VanDerWaalsContact O-CG2 3.27Å; A4-V8 WeakPolarHBondContact O-CG2 3.42Å; A4-V8 PolarHBondContact O-N 3.11Å
5Q41Very low50.2Low162 Ų162106.7 Ų106.776%0.75760%0.602SS**Hα-helixtrans-74-29.4-177-128.6170.6-61.900112.6G2G2-Q5 PolarHBondContact O-N 3.45Å
6Q43.2Very low51.2Low156 Ų156103.1 Ų103.173%0.72959%0.59SS**Hα-helixtrans-80.5-32.5-179-156.8153.2-17.800112.8S9 S10Q6-S9 PolarHBondContact O-N 3.26Å; Q6-S10 PolarHBondContact O-N 3.44Å
7Q38.7Very low52Low116 Ų11699.4 Ų99.454%0.54258%0.575SS.*Hα-helixtrans-68.4-34.4173.4-108.6-111-34.400113K11Q7-K11 WeakPolarHBondContact O-CG 3.44Å; Q7-K11 PolarHBondContact O-N 3.43Å
8V44.9Very low52.9Low102 Ų10297.7 Ų97.762%0.61856%0.563SS**Hα-helixtrans-69.7-34.8178.11790000111A4 A12A4-V8 VanDerWaalsContact O-CG2 3.27Å; A4-V8 WeakPolarHBondContact O-CG2 3.42Å; A4-V8 PolarHBondContact O-N 3.11Å; V8-A12 WeakPolarHBondContact O-CB 3.23Å; V8-A12 PolarHBondContact O-N 3.45Å; V8-A12 VanDerWaalsContact O-N 3.1Å
9S53.6Low53.8Low66 Ų6697 Ų9746%0.46256%0.56SS.*Hα-helixtrans-67.7-45.1177.2-175.30000112.7Q6 K11 A12 I13Q6-S9 PolarHBondContact O-N 3.26Å; S9-K11 VanDerWaalsContact C-N 3.34Å; S9-K11 PolarHBondContact O-N 3.49Å; S9-A12 PolarHBondContact O-N 3.48Å; S9-I13 VanDerWaalsContact O-CG1 3.32Å; S9-I13 WeakPolarHBondContact O-CG1 3.38Å; S9-I13 PolarHBondContact O-N 3.39Å
10S53.6Low54.6Low66 Ų6698.5 Ų98.546%0.46257%0.565SS.*Hα-helixtrans-63-38.1177.2-109.30000112.8Q6 I13 A14Q6-S10 PolarHBondContact O-N 3.44Å; S10-I13 PolarHBondContact O-N 3.4Å; S10-A14 PolarHBondContact O-N 3.47Å
11K51.6Low55.2Low119 Ų11994.5 Ų94.552%0.51754%0.543SS..Hα-helixtrans-68-39.2176.7-72.5174.8176.3169.20111.9Q7 S9 A14 F15Q7-K11 WeakPolarHBondContact O-CG 3.44Å; Q7-K11 PolarHBondContact O-N 3.43Å; S9-K11 VanDerWaalsContact C-N 3.34Å; S9-K11 PolarHBondContact O-N 3.49Å; K11-A14 PolarHBondContact O-N 3.49Å; K11-F15 WeakPolarHBondContact O-CD2 3.33Å; K11-F15 PolarHBondContact O-N 3.48Å
12A57.8Low56.4Low60 Ų6085.7 Ų85.750%0.49650%0.502SS..Hα-helixtrans-64.4-39.4175.800000112.4V8 S9 F15 A16V8-A12 WeakPolarHBondContact O-CB 3.23Å; V8-A12 PolarHBondContact O-N 3.45Å; V8-A12 VanDerWaalsContact O-N 3.1Å; S9-A12 PolarHBondContact O-N 3.48Å; A12-F15 PolarHBondContact O-N 3.5Å; A12-A16 WeakPolarHBondContact O-CB 3.37Å; A12-A16 PolarHBondContact O-N 3.41Å
13I63.8Low57.5Low96 Ų9687.8 Ų87.849%0.49250%0.504SS..Hα-helixtrans-66.7-42.3176.7-65.5165.2000111S9 S10 A16 A17S9-I13 VanDerWaalsContact O-CG1 3.32Å; S9-I13 WeakPolarHBondContact O-CG1 3.38Å; S9-I13 PolarHBondContact O-N 3.39Å; S10-I13 PolarHBondContact O-N 3.4Å; I13-A16 PolarHBondContact O-N 3.45Å; I13-A17 WeakPolarHBondContact O-CB 3.28Å; I13-A17 PolarHBondContact O-N 3.33Å
14A59.4Low58.6Low40 Ų4083.8 Ų83.833%0.33148%0.484SS..Hα-helixtrans-62.9-42.9175.300000112S10 K11 A17 I18S10-A14 PolarHBondContact O-N 3.47Å; K11-A14 PolarHBondContact O-N 3.49Å; A14-A17 PolarHBondContact O-N 3.5Å; A14-I18 VanDerWaalsContact O-CG1 3.29Å; A14-I18 WeakPolarHBondContact O-CG1 3.15Å; A14-I18 PolarHBondContact O-N 3.41Å
15F63.6Low60.1Low138 Ų13884.1 Ų84.161%0.60548%0.476SS*.Hα-helixtrans-63.3-43.7175.2-99.2-85.3000112.5K11 A12 A17 I18 V19K11-F15 WeakPolarHBondContact O-CD2 3.33Å; K11-F15 PolarHBondContact O-N 3.48Å; A12-F15 PolarHBondContact O-N 3.5Å; F15-A17 VanDerWaalsContact C-N 3.3Å; F15-A17 PolarHBondContact O-N 3.43Å; F15-I18 PolarHBondContact O-N 3.41Å; F15-V19 WeakPolarHBondContact O-CG2 3.47Å; F15-V19 PolarHBondContact O-N 3.46Å
16A65.9Low61.6Low50 Ų5079.7 Ų79.741%0.41346%0.46SS..Hα-helixtrans-61-39.3175.700000111.8A12 I13 V19 L20A12-A16 WeakPolarHBondContact O-CB 3.37Å; A12-A16 PolarHBondContact O-N 3.41Å; I13-A16 PolarHBondContact O-N 3.45Å; A16-V19 PolarHBondContact O-N 3.39Å; A16-L20 WeakPolarHBondContact O-CB 3.39Å; A16-L20 VanDerWaalsContact O-CG 3.24Å; A16-L20 WeakPolarHBondContact O-CG 3.09Å; A16-L20 PolarHBondContact O-N 3.45Å
17A65.2Low63.1Low40 Ų4073.8 Ų73.833%0.33144%0.441SS..Hα-helixtrans-65.3-38.5175.400000112.7I13 A14 F15 S21I13-A17 WeakPolarHBondContact O-CB 3.28Å; I13-A17 PolarHBondContact O-N 3.33Å; A14-A17 PolarHBondContact O-N 3.5Å; F15-A17 VanDerWaalsContact C-N 3.3Å; F15-A17 PolarHBondContact O-N 3.43Å; A17-S21 VanDerWaalsContact O-CB 3.28Å; A17-S21 WeakPolarHBondContact O-CB 3.26Å; A17-S21 PolarHBondContact O-N 3.19Å; A17-S21 PolarHBondContact O-OG 3.34Å
18I69.1Low64.4Low69 Ų6970.1 Ų70.135%0.35443%0.427SS..Hα-helixtrans-64.6-45.2174.8-67.5163.2000110.9A14 F15 S21 T22 M64A14-I18 VanDerWaalsContact O-CG1 3.29Å; A14-I18 WeakPolarHBondContact O-CG1 3.15Å; A14-I18 PolarHBondContact O-N 3.41Å; F15-I18 PolarHBondContact O-N 3.41Å; I18-S21 VanDerWaalsContact CA-OG 3.31Å; I18-S21 WeakPolarHBondContact CA-OG 3.08Å; I18-S21 PolarHBondContact O-N 2.86Å; I18-S21 PolarHBondContact O-OG 2.68Å; I18-T22 WeakPolarHBondContact O-CB 3.19Å; I18-T22 WeakPolarHBondContact O-CG2 3.43Å; I18-T22 PolarHBondContact O-N 3.38Å; I18-T22 PolarHBondContact O-OG1 2.94Å; I18-M64 HydrophobicContact CD1-CE 3.97Å; I18-M64 HydrophobicContact CG1-CE 3.3Å
19V69.5Low65.4Low84 Ų8469.9 Ų69.951%0.50942%0.422SS..Hα-helixtrans-65.8-43.8179.5175.10000110.9F15 A16 S21 T22 V23F15-V19 WeakPolarHBondContact O-CG2 3.47Å; F15-V19 PolarHBondContact O-N 3.46Å; A16-V19 PolarHBondContact O-N 3.39Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.25Å; V19-T22 WeakPolarHBondContact CA-OG1 3.47Å; V19-T22 PolarHBondContact O-OG1 2.82Å; V19-V23 WeakPolarHBondContact O-CB 3.21Å; V19-V23 VanDerWaalsContact O-CG2 3.24Å; V19-V23 WeakPolarHBondContact O-CG2 3.24Å; V19-V23 PolarHBondContact O-N 3.25Å
20L69.2Low66Low126 Ų12672.2 Ų72.266%0.6643%0.429SS*.Hα-helixtrans-66.4-35.8177.7-71.2168.4000112.7A16 A24A16-L20 WeakPolarHBondContact O-CB 3.39Å; A16-L20 VanDerWaalsContact O-CG 3.24Å; A16-L20 WeakPolarHBondContact O-CG 3.09Å; A16-L20 PolarHBondContact O-N 3.45Å; L20-A24 WeakPolarHBondContact O-CB 2.92Å; L20-A24 PolarHBondContact O-N 3.25Å
21S67.2Low66.5Low15 Ų1572.8 Ų72.811%0.10543%0.433CS..Hα-helixtrans-73.3-40.3178.149.60000112.5A17 I18 V19 A24 I25A17-S21 VanDerWaalsContact O-CB 3.28Å; A17-S21 WeakPolarHBondContact O-CB 3.26Å; A17-S21 PolarHBondContact O-N 3.19Å; A17-S21 PolarHBondContact O-OG 3.34Å; I18-S21 VanDerWaalsContact CA-OG 3.31Å; I18-S21 WeakPolarHBondContact CA-OG 3.08Å; I18-S21 PolarHBondContact O-N 2.86Å; I18-S21 PolarHBondContact O-OG 2.68Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.25Å; S21-A24 PolarHBondContact O-N 3.22Å; S21-I25 WeakPolarHBondContact O-CB 3.29Å; S21-I25 WeakPolarHBondContact O-CD1 3.24Å; S21-I25 VanDerWaalsContact O-CG1 3.23Å; S21-I25 WeakPolarHBondContact O-CG1 3.34Å; S21-I25 PolarHBondContact O-N 3.18Å
22T71.1Confident66.9Low45 Ų4570.2 Ų70.228%0.27642%0.422SS..Hα-helixtrans-62.8-40.6172.444.40000112.1I18 V19 T26 F83I18-T22 WeakPolarHBondContact O-CB 3.19Å; I18-T22 WeakPolarHBondContact O-CG2 3.43Å; I18-T22 PolarHBondContact O-N 3.38Å; I18-T22 PolarHBondContact O-OG1 2.94Å; V19-T22 WeakPolarHBondContact CA-OG1 3.47Å; V19-T22 PolarHBondContact O-OG1 2.82Å; T22-T26 VanDerWaalsContact O-CB 3.26Å; T22-T26 WeakPolarHBondContact O-CB 3.19Å; T22-T26 PolarHBondContact O-N 2.89Å; T22-T26 PolarHBondContact O-OG1 2.9Å; T22-F83 HydrophobicContact CG2-CZ 4.27Å
23V71.9Confident66.7Low97 Ų9771.2 Ų71.259%0.58842%0.423SS*.Hα-helixtrans-64-42173.6172.20000111.5V19 G27V19-V23 WeakPolarHBondContact O-CB 3.21Å; V19-V23 VanDerWaalsContact O-CG2 3.24Å; V19-V23 WeakPolarHBondContact O-CG2 3.24Å; V19-V23 PolarHBondContact O-N 3.25Å; V23-G27 PolarHBondContact O-N 3.15Å
24A67.8Low66.1Low42 Ų4273.5 Ų73.535%0.34744%0.436SS..Hα-helixtrans-66.4-41.9178.300000112.8L20 S21 G27 C28L20-A24 WeakPolarHBondContact O-CB 2.92Å; L20-A24 PolarHBondContact O-N 3.25Å; S21-A24 PolarHBondContact O-N 3.22Å; A24-G27 PolarHBondContact O-N 2.78Å; A24-C28 PolarHBondContact O-N 3.16Å
25I73.2Confident65.6Low77 Ų7773.5 Ų73.540%0.39544%0.436SS..Hα-helixtrans-67.3-44.8177.1-67.3164.8000110.1S21 G27 C28 L29S21-I25 WeakPolarHBondContact O-CB 3.29Å; S21-I25 WeakPolarHBondContact O-CD1 3.24Å; S21-I25 VanDerWaalsContact O-CG1 3.23Å; S21-I25 WeakPolarHBondContact O-CG1 3.34Å; S21-I25 PolarHBondContact O-N 3.18Å; I25-G27 VanDerWaalsContact C-N 3.29Å; I25-G27 PolarHBondContact O-N 3.28Å; I25-C28 PolarHBondContact O-N 2.86Å; I25-L29 HydrophobicContact CG2-CD1 3.9Å; I25-L29 HydrophobicContact CG2-CG 4.33Å; I25-L29 WeakPolarHBondContact O-CB 3.41Å; I25-L29 VanDerWaalsContact O-CG 3.27Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å; I25-L29 PolarHBondContact O-N 2.92Å
26T73.3Confident64.8Low70 Ų7074.2 Ų74.243%0.42944%0.439SS..Hα-helixtrans-63.4-37.7176.4-50.60000111T22 L29 L30T22-T26 VanDerWaalsContact O-CB 3.26Å; T22-T26 WeakPolarHBondContact O-CB 3.19Å; T22-T26 PolarHBondContact O-N 2.89Å; T22-T26 PolarHBondContact O-OG1 2.9Å; T26-L29 PolarHBondContact O-N 3.24Å; T26-L30 HydrophobicContact CG2-CD1 3.88Å; T26-L30 HydrophobicContact CG2-CG 4.32Å; T26-L30 WeakPolarHBondContact O-CB 3.16Å; T26-L30 VanDerWaalsContact O-CG 3.24Å; T26-L30 WeakPolarHBondContact O-CG 3.45Å; T26-L30 PolarHBondContact O-N 3.17Å
27G73.8Confident64Low32 Ų3280.7 Ų80.733%0.3346%0.46SS..Hα-helixtrans-59.6-53.7171.200000112.5V23 A24 I25 L29 L30 S31V23-G27 PolarHBondContact O-N 3.15Å; A24-G27 PolarHBondContact O-N 2.78Å; I25-G27 VanDerWaalsContact C-N 3.29Å; I25-G27 PolarHBondContact O-N 3.28Å; G27-L29 VanDerWaalsContact C-N 3.32Å; G27-L29 PolarHBondContact O-N 2.94Å; G27-L30 PolarHBondContact O-N 2.92Å; G27-S31 PolarHBondContact O-N 2.95Å; G27-S31 PolarHBondContact O-OG 3.08Å
28C66.4Low62.9Low38 Ų3888.7 Ų88.726%0.25748%0.484SS..Hα-helixtrans-53.1-50.5173.9-83.30000109.9A24 I25 L30 S31 F32 C53A24-C28 PolarHBondContact O-N 3.16Å; I25-C28 PolarHBondContact O-N 2.86Å; C28-L30 PolarHBondContact O-N 3.17Å; C28-S31 WeakPolarHBondContact O-CB 3.26Å; C28-S31 PolarHBondContact O-N 3.41Å; C28-S31 VanDerWaalsContact O-N 3.17Å; C28-F32 HydrophobicContact CB-CE2 4.35Å; C28-F32 WeakPolarHBondContact O-CD2 3.17Å; C28-F32 PolarHBondContact O-N 3.38Å; C28-F32 VanDerWaalsContact O-N 3.1Å; C28-C53 HydrophobicContact CB-CB 4.35Å; C28-C53 WeakPolarHBondContact CB-SG 3.43Å; C28-C53 WeakPolarHBondContact SG-CB 3.45Å; C28-C53 CovalentContact SG-SG 2.09Å; C28-C53 PolarHBondContact SG-SG 2.96Å
29L66.5Low61.7Low97 Ų9787.6 Ų87.651%0.50848%0.48SS..Hα-helixtrans-64.8-31.7-177.4-70.7175.1000114.4I25 T26 G27 P33I25-L29 HydrophobicContact CG2-CD1 3.9Å; I25-L29 HydrophobicContact CG2-CG 4.33Å; I25-L29 WeakPolarHBondContact O-CB 3.41Å; I25-L29 VanDerWaalsContact O-CG 3.27Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å; I25-L29 PolarHBondContact O-N 2.92Å; T26-L29 PolarHBondContact O-N 3.24Å; G27-L29 VanDerWaalsContact C-N 3.32Å; G27-L29 PolarHBondContact O-N 2.94Å; L29-P33 WeakPolarHBondContact O-CD 3.44Å
30L67.1Low60.5Low116 Ų11693.1 Ų93.161%0.60750%0.5SS*.Hα-helixtrans-77.7-27.3175.1-74.1167.5000112.2T26 G27 C28 P33T26-L30 HydrophobicContact CG2-CD1 3.88Å; T26-L30 HydrophobicContact CG2-CG 4.32Å; T26-L30 WeakPolarHBondContact O-CB 3.16Å; T26-L30 VanDerWaalsContact O-CG 3.24Å; T26-L30 WeakPolarHBondContact O-CG 3.45Å; T26-L30 PolarHBondContact O-N 3.17Å; G27-L30 PolarHBondContact O-N 2.92Å; C28-L30 PolarHBondContact O-N 3.17Å; L30-P33 WeakPolarHBondContact O-CD 3.23Å
31S63.3Low59.2Low78 Ų7896.3 Ų96.355%0.54551%0.509SS..Hα-helixtrans-74.5-29.4173.2-56.20000112.8G27 C28 A35G27-S31 PolarHBondContact O-N 2.95Å; G27-S31 PolarHBondContact O-OG 3.08Å; C28-S31 WeakPolarHBondContact O-CB 3.26Å; C28-S31 PolarHBondContact O-N 3.41Å; C28-S31 VanDerWaalsContact O-N 3.17Å; S31-A35 WeakPolarHBondContact O-CB 3.37Å; S31-A35 PolarHBondContact O-N 3.05Å; S31-A35 VanDerWaalsContact O-N 3.16Å
32F59Low57.8Low65 Ų65101.6 Ų101.629%0.28554%0.535SS..Hα-helixtrans-59.7-48.3-179.7-90.8-75.2000115.2C28 A35 F36 L50C28-F32 HydrophobicContact CB-CE2 4.35Å; C28-F32 WeakPolarHBondContact O-CD2 3.17Å; C28-F32 PolarHBondContact O-N 3.38Å; C28-F32 VanDerWaalsContact O-N 3.1Å; F32-A35 PolarHBondContact O-N 3.44Å; F32-F36 WeakPolarHBondContact O-CB 3.43Å; F32-F36 PolarHBondContact O-N 3.06Å; F32-L50 HydrophobicContact CZ-CD1 4.26Å
33P54.6Low56.9Low80 Ų80108.7 Ų108.752%0.51957%0.565SS.*Hα-helixtrans-73.4-27.5-177.324.4-32000113.8L29 L30 H37L29-P33 WeakPolarHBondContact O-CD 3.44Å; L30-P33 WeakPolarHBondContact O-CD 3.23Å; P33-H37 PolarHBondContact O-N 2.9Å
34L51.1Low55.8Low144 Ų144107.9 Ų107.975%0.75457%0.569SS**Hα-helixtrans-72.2-34.3173.3-82.5155.9000111.7
35A49.5Very low54.7Low41 Ų41108.5 Ų108.534%0.33957%0.571SS.*Hα-helixtrans-73.6-40.4171.600000112S31 F32 H37 Y38 V39S31-A35 WeakPolarHBondContact O-CB 3.37Å; S31-A35 PolarHBondContact O-N 3.05Å; S31-A35 VanDerWaalsContact O-N 3.16Å; F32-A35 PolarHBondContact O-N 3.44Å; A35-H37 VanDerWaalsContact C-N 3.27Å; A35-H37 PolarHBondContact O-N 3.19Å; A35-Y38 PolarHBondContact O-N 3.25Å; A35-V39 VanDerWaalsContact O-CB 3.24Å; A35-V39 WeakPolarHBondContact O-CB 3.47Å; A35-V39 WeakPolarHBondContact O-CG2 3.17Å; A35-V39 PolarHBondContact O-N 3.48Å
36F45.9Very low53.4Low153 Ų153106.8 Ų106.867%0.67157%0.568SS**Hα-helixtrans-62.2-30-176.9-118.1-95.5000114.1F32 Y38F32-F36 WeakPolarHBondContact O-CB 3.43Å; F32-F36 PolarHBondContact O-N 3.06Å; F36-Y38 VanDerWaalsContact C-N 3.32Å
37H48.8Very low52.3Low186 Ų186109 Ų10986%0.86157%0.573SS**THydrogen-bonded Turntrans-80-14.9176.6-126.7-73.7000113.5P33 A35P33-H37 PolarHBondContact O-N 2.9Å; A35-H37 VanDerWaalsContact C-N 3.27Å; A35-H37 PolarHBondContact O-N 3.19Å
38Y43.4Very low51.2Low208 Ų208110.2 Ų110.282%0.81658%0.58SS**THydrogen-bonded Turntrans-100.9-16.9177.2-149.1-95.5000112.3A35 F36A35-Y38 PolarHBondContact O-N 3.25Å; F36-Y38 VanDerWaalsContact C-N 3.32Å
39V44.3Very low50.4Low45 Ų45113 Ų11327%0.27359%0.592SS.*  trans-115.850.4-166.3-174.30000111.6A35 K41 A46A35-V39 VanDerWaalsContact O-CB 3.24Å; A35-V39 WeakPolarHBondContact O-CB 3.47Å; A35-V39 WeakPolarHBondContact O-CG2 3.17Å; A35-V39 PolarHBondContact O-N 3.48Å; V39-K41 VanDerWaalsContact C-N 3.29Å; V39-A46 HydrophobicContact CG1-CB 4.06Å
40Q42.3Very low49.8Very low200 Ų200110.8 Ų110.894%0.93558%0.581SS**SBendtrans-88.53156.6-85.3-152-46.200112.5
41K42.1Very low49.3Very low194 Ų194109.1 Ų109.184%0.84357%0.573SS**SBendtrans-131.25.2-168.6-130.8179.1-176.8-177.30117.1V39V39-K41 VanDerWaalsContact C-N 3.29Å
42L38.6Very low48.9Very low126 Ų126111.2 Ų111.266%0.6657%0.572SS**  trans-149.590.9-178-76.3170000110.9A44L42-A44 VanDerWaalsContact C-N 3.29Å; L42-A44 PolarHBondContact O-N 3.21Å
43E52.1Low48.7Very low193 Ų193109.1 Ų109.190%0.90257%0.565SS**THydrogen-bonded Turntrans-72.3-3.1-172.5-85.5-165.5137.500116.4
44A49.8Very low48.7Very low81 Ų81108.8 Ų108.867%0.66956%0.556SS**THydrogen-bonded Turntrans-94.6-33.4-177.300000114.7L42 A48L42-A44 VanDerWaalsContact C-N 3.29Å; L42-A44 PolarHBondContact O-N 3.21Å; A44-A48 PolarHBondContact O-N 3.3Å
45S43.5Very low49.1Very low55 Ų55106.2 Ų106.239%0.38555%0.546SS..Hα-helixtrans-76.6-39.8-173.355.70000112.9Q47 A48 D49S45-Q47 VanDerWaalsContact C-N 3.25Å; S45-Q47 PolarHBondContact O-N 3.47Å; S45-A48 PolarHBondContact O-N 2.96Å; S45-D49 PolarHBondContact O-N 2.92Å
46A45.4Very low49.4Very low40 Ų40111.4 Ų111.433%0.33156%0.557SS.*Hα-helixtrans-61.5-34.217800000112.7V39 L50V39-A46 HydrophobicContact CG1-CB 4.06Å; A46-L50 WeakPolarHBondContact O-CB 3.36Å; A46-L50 PolarHBondContact O-N 3.45Å
47Q50.3Low49.8Very low118 Ų118107.5 Ų107.555%0.55155%0.546SS*.Hα-helixtrans-71.8-38178.9-145.776.3-28.300111.6S45 L50 N51S45-Q47 VanDerWaalsContact C-N 3.25Å; S45-Q47 PolarHBondContact O-N 3.47Å; Q47-L50 PolarHBondContact O-N 3.08Å; Q47-N51 WeakPolarHBondContact O-CB 3.05Å; Q47-N51 PolarHBondContact O-N 3.47Å; Q47-N51 PolarHBondContact O-ND2 3Å
48A51.9Low50.1Low57 Ų57105.6 Ų105.647%0.47153%0.531SS..Hα-helixtrans-65.2-44.7175.100000111.7A44 S45 L50 N51 F52A44-A48 PolarHBondContact O-N 3.3Å; S45-A48 PolarHBondContact O-N 2.96Å; A48-L50 VanDerWaalsContact C-N 3.35Å; A48-L50 PolarHBondContact O-N 2.99Å; A48-N51 PolarHBondContact O-N 3.01Å; A48-F52 PolarHBondContact O-N 3.12Å
49D50Low50.5Low96 Ų9698.3 Ų98.351%0.51351%0.511SS..Hα-helixtrans-64.8-38.7177.4-71.8-25.3000112S45 F52 C53S45-D49 PolarHBondContact O-N 2.92Å; D49-F52 WeakPolarHBondContact O-CB 3.2Å; D49-F52 PolarHBondContact O-N 3.46Å; D49-C53 PolarHBondContact O-N 3.25Å
50L52.8Low50.9Low51 Ų5198.9 Ų98.927%0.26751%0.511SS..Hα-helixtrans-63-43.8173.8-17865.7000111.6F32 A46 Q47 A48 F52 C53 K54F32-L50 HydrophobicContact CZ-CD1 4.26Å; A46-L50 WeakPolarHBondContact O-CB 3.36Å; A46-L50 PolarHBondContact O-N 3.45Å; Q47-L50 PolarHBondContact O-N 3.08Å; A48-L50 VanDerWaalsContact C-N 3.35Å; A48-L50 PolarHBondContact O-N 2.99Å; L50-F52 VanDerWaalsContact C-N 3.29Å; L50-F52 PolarHBondContact O-N 2.93Å; L50-C53 PolarHBondContact O-N 2.79Å; L50-K54 HydrophobicContact CG-CD 4.34Å; L50-K54 WeakPolarHBondContact O-CB 3.42Å; L50-K54 VanDerWaalsContact O-CG 3.26Å; L50-K54 WeakPolarHBondContact O-CG 3.34Å; L50-K54 PolarHBondContact O-N 2.96Å
51N56.2Low51.6Low81 Ų8194.8 Ų94.843%0.43349%0.487SS..Hα-helixtrans-66.2-33.8177.1-72.2-24.6000111.8Q47 A48 T55Q47-N51 WeakPolarHBondContact O-CB 3.05Å; Q47-N51 PolarHBondContact O-N 3.47Å; Q47-N51 PolarHBondContact O-ND2 3Å; A48-N51 PolarHBondContact O-N 3.01Å; N51-T55 WeakPolarHBondContact O-CB 3.5Å; N51-T55 PolarHBondContact O-N 3.29Å; N51-T55 PolarHBondContact O-OG1 3.03Å
52F56Low52.3Low121 Ų12193.8 Ų93.853%0.53148%0.478SS..Hα-helixtrans-66.2-51.1173.5-174.2-99.4000112.2A48 D49 L50 K54 T55 R56A48-F52 PolarHBondContact O-N 3.12Å; D49-F52 WeakPolarHBondContact O-CB 3.2Å; D49-F52 PolarHBondContact O-N 3.46Å; L50-F52 VanDerWaalsContact C-N 3.29Å; L50-F52 PolarHBondContact O-N 2.93Å; F52-K54 VanDerWaalsContact C-N 3.29Å; F52-K54 PolarHBondContact O-N 2.86Å; F52-T55 PolarHBondContact O-N 3.16Å; F52-R56 WeakPolarHBondContact O-CB 3.34Å; F52-R56 PolarHBondContact O-N 3.5Å
53C53.5Low53Low22 Ų2296.8 Ų96.815%0.14948%0.481CS..Hα-helixtrans-62.6-35.4176.5-740000111.1C28 D49 L50 T57C28-C53 HydrophobicContact CB-CB 4.35Å; C28-C53 WeakPolarHBondContact CB-SG 3.43Å; C28-C53 WeakPolarHBondContact SG-CB 3.45Å; C28-C53 CovalentContact SG-SG 2.09Å; C28-C53 PolarHBondContact SG-SG 2.96Å; D49-C53 PolarHBondContact O-N 3.25Å; L50-C53 PolarHBondContact O-N 2.79Å; C53-T57 VanDerWaalsContact O-CB 3.29Å; C53-T57 WeakPolarHBondContact O-CB 3.41Å; C53-T57 PolarHBondContact O-N 3.03Å; C53-T57 PolarHBondContact O-OG1 2.94Å
54K54.7Low52.8Low72 Ų7291.5 Ų91.531%0.31346%0.457SS..Hα-helixtrans-61.6-48.9173.2-78.8172.5-179.4172.60112.3L50 F52 R56 T57 R58L50-K54 HydrophobicContact CG-CD 4.34Å; L50-K54 WeakPolarHBondContact O-CB 3.42Å; L50-K54 VanDerWaalsContact O-CG 3.26Å; L50-K54 WeakPolarHBondContact O-CG 3.34Å; L50-K54 PolarHBondContact O-N 2.96Å; F52-K54 VanDerWaalsContact C-N 3.29Å; F52-K54 PolarHBondContact O-N 2.86Å; K54-R56 PolarHBondContact O-N 3.21Å; K54-T57 PolarHBondContact O-N 3.39Å; K54-R58 WeakPolarHBondContact O-CB 3.37Å; K54-R58 WeakPolarHBondContact O-CG 3.11Å; K54-R58 PolarHBondContact O-N 3.01Å
55T59.6Low52.5Low91 Ų9191.2 Ų91.256%0.55844%0.443SS*.Hα-helixtrans-64.8-42-178-580000111.3N51 F52 R58 S59N51-T55 WeakPolarHBondContact O-CB 3.5Å; N51-T55 PolarHBondContact O-N 3.29Å; N51-T55 PolarHBondContact O-OG1 3.03Å; F52-T55 PolarHBondContact O-N 3.16Å; T55-R58 PolarHBondContact O-N 3.45Å; T55-S59 PolarHBondContact O-N 2.08Å
56R55.4Low52.8Low150 Ų15093 Ų9357%0.56646%0.455SS*.Hα-helixtrans-69.4-40.6179.8-161.7152.9-179.3154.5-3.4112.2F52 K54 S59 I60F52-R56 WeakPolarHBondContact O-CB 3.34Å; F52-R56 PolarHBondContact O-N 3.5Å; K54-R56 PolarHBondContact O-N 3.21Å; R56-S59 PolarHBondContact O-N 2.83Å; R56-I60 HydrophobicContact CG-CD1 4.24Å; R56-I60 VanDerWaalsContact O-CG1 3.28Å; R56-I60 WeakPolarHBondContact O-CG1 3.24Å; R56-I60 PolarHBondContact O-N 3.31Å
57T55.9Low52.9Low70 Ų7095 Ų9543%0.42946%0.463SS..Hα-helixtrans-61.6-43.5173.2-54.60000111.5C53 K54 S59 I60 W61C53-T57 VanDerWaalsContact O-CB 3.29Å; C53-T57 WeakPolarHBondContact O-CB 3.41Å; C53-T57 PolarHBondContact O-N 3.03Å; C53-T57 PolarHBondContact O-OG1 2.94Å; K54-T57 PolarHBondContact O-N 3.39Å; T57-S59 PolarHBondContact O-N 3.41Å; T57-I60 PolarHBondContact O-N 3.17Å; T57-W61 WeakPolarHBondContact O-CB 3.42Å; T57-W61 PolarHBondContact O-N 2.89Å
58R55.3Low52.5Low146 Ų14692.3 Ų92.355%0.55146%0.457SS*.Hα-helixtrans-62.1-39.3175.2-80.9178.8171.4166.9-2.7113.4K54 T55 R62K54-R58 WeakPolarHBondContact O-CB 3.37Å; K54-R58 WeakPolarHBondContact O-CG 3.11Å; K54-R58 PolarHBondContact O-N 3.01Å; T55-R58 PolarHBondContact O-N 3.45Å; R58-R62 WeakPolarHBondContact O-CB 3.24Å; R58-R62 PolarHBondContact O-N 3.39Å
59S50.6Low52Low56 Ų5695.3 Ų95.339%0.39248%0.475SS..Hα-helixtrans-67.1-43.3178.3-177.40000111.6T55 R56 T57 R63T55-S59 PolarHBondContact O-N 2.08Å; R56-S59 PolarHBondContact O-N 2.83Å; T57-S59 PolarHBondContact O-N 3.41Å; S59-R63 PolarHBondContact O-N 2.69Å; S59-R63 VanDerWaalsContact O-N 3.09Å
60I53.5Low51.6Low56 Ų5697.6 Ų97.629%0.28749%0.487SS..Hα-helixtrans-65-44.6176.3-67.7167.8000110.6R56 T57 R62 R63 M64R56-I60 HydrophobicContact CG-CD1 4.24Å; R56-I60 VanDerWaalsContact O-CG1 3.28Å; R56-I60 WeakPolarHBondContact O-CG1 3.24Å; R56-I60 PolarHBondContact O-N 3.31Å; T57-I60 PolarHBondContact O-N 3.17Å; I60-R62 PolarHBondContact O-N 2.98Å; I60-R63 PolarHBondContact O-N 2.97Å; I60-M64 WeakPolarHBondContact O-CB 3.06Å; I60-M64 PolarHBondContact O-N 2.66Å
61W57.2Low51.2Low115 Ų11596.9 Ų96.944%0.43649%0.492SS..Hα-helixtrans-62.5-43.4178.4-169.184.8000112.3T57 R63 M64 M65T57-W61 WeakPolarHBondContact O-CB 3.42Å; T57-W61 PolarHBondContact O-N 2.89Å; W61-R63 PolarHBondContact O-N 2.99Å; W61-M64 WeakPolarHBondContact O-CB 3.33Å; W61-M64 PolarHBondContact O-N 3.46Å; W61-M64 VanDerWaalsContact O-N 3.16Å; W61-M65 HydrophobicContact CD2-CG 3.91Å; W61-M65 HydrophobicContact CE3-CG 3.96Å; W61-M65 HydrophobicContact CH2-CE 3.58Å; W61-M65 HydrophobicContact CH2-CG 4.07Å; W61-M65 HydrophobicContact CH2-SD 4.47Å; W61-M65 HydrophobicContact CZ2-CE 3.53Å; W61-M65 HydrophobicContact CZ2-CG 4Å; W61-M65 HydrophobicContact CZ2-SD 4.1Å; W61-M65 HydrophobicContact CZ3-CE 4.38Å; W61-M65 HydrophobicContact CZ3-CG 4.04Å; W61-M65 VanDerWaalsContact O-CG 3.29Å; W61-M65 WeakPolarHBondContact O-CG 3.49Å; W61-M65 PolarHBondContact O-N 3.3Å
62R55.9Low50.6Low173 Ų17396.6 Ų96.665%0.65350%0.495SS*.Hα-helixtrans-59.9-42.3173.6-88.2-171.2-82.5170.1-9112.8R58 I60 M64 M65 S66R58-R62 WeakPolarHBondContact O-CB 3.24Å; R58-R62 PolarHBondContact O-N 3.39Å; I60-R62 PolarHBondContact O-N 2.98Å; R62-M64 VanDerWaalsContact C-N 3.31Å; R62-M64 PolarHBondContact O-N 3.25Å; R62-M65 PolarHBondContact O-N 3.47Å; R62-S66 PolarHBondContact O-N 3.49Å; R62-S66 PolarHBondContact O-OG 3.37Å
63R52.9Low49.8Very low189 Ų18994.2 Ų94.271%0.71349%0.493SS*.Hα-helixtrans-65.3-34.1175.1-92.7176.9169.4175.6-3112.9S59 I60 W61 S66 V67S59-R63 PolarHBondContact O-N 2.69Å; S59-R63 VanDerWaalsContact O-N 3.09Å; I60-R63 PolarHBondContact O-N 2.97Å; W61-R63 PolarHBondContact O-N 2.99Å; R63-S66 WeakPolarHBondContact CA-OG 3.37Å; R63-S66 PolarHBondContact O-OG 3.03Å; R63-V67 VanDerWaalsContact O-CG2 3.28Å; R63-V67 WeakPolarHBondContact O-CG2 3.05Å
64M48.2Very low49.4Very low82 Ų8295.6 Ų95.640%0.40451%0.511SS..Hα-helixtrans-71.8-39.7177.9-159.3167.7179.100111.5I18 I60 W61 R62 V67I18-M64 HydrophobicContact CD1-CE 3.97Å; I18-M64 HydrophobicContact CG1-CE 3.3Å; I60-M64 WeakPolarHBondContact O-CB 3.06Å; I60-M64 PolarHBondContact O-N 2.66Å; W61-M64 WeakPolarHBondContact O-CB 3.33Å; W61-M64 PolarHBondContact O-N 3.46Å; W61-M64 VanDerWaalsContact O-N 3.16Å; R62-M64 VanDerWaalsContact C-N 3.31Å; R62-M64 PolarHBondContact O-N 3.25Å; M64-V67 PolarHBondContact O-N 2.09Å
65M44.6Very low48.6Very low75 Ų7597.6 Ų97.637%0.36952%0.521SS..Hα-helixtrans-71.2-26.8176.1-66.4-68.5-97.700113W61 R62W61-M65 HydrophobicContact CD2-CG 3.91Å; W61-M65 HydrophobicContact CE3-CG 3.96Å; W61-M65 HydrophobicContact CH2-CE 3.58Å; W61-M65 HydrophobicContact CH2-CG 4.07Å; W61-M65 HydrophobicContact CH2-SD 4.47Å; W61-M65 HydrophobicContact CZ2-CE 3.53Å; W61-M65 HydrophobicContact CZ2-CG 4Å; W61-M65 HydrophobicContact CZ2-SD 4.1Å; W61-M65 HydrophobicContact CZ3-CE 4.38Å; W61-M65 HydrophobicContact CZ3-CG 4.04Å; W61-M65 VanDerWaalsContact O-CG 3.29Å; W61-M65 WeakPolarHBondContact O-CG 3.49Å; W61-M65 PolarHBondContact O-N 3.3Å; R62-M65 PolarHBondContact O-N 3.47Å
66S48.7Very low47.8Very low92 Ų9295.8 Ų95.864%0.64352%0.516SS*.THydrogen-bonded Turntrans-78.5-14.5177.3620000114.7R62 R63R62-S66 PolarHBondContact O-N 3.49Å; R62-S66 PolarHBondContact O-OG 3.37Å; R63-S66 WeakPolarHBondContact CA-OG 3.37Å; R63-S66 PolarHBondContact O-OG 3.03Å
67V46.7Very low47.5Very low83 Ų8391.5 Ų91.550%0.50351%0.509SS..SBendtrans-96.7-7.6-176.6177.80000112.2R63 M64R63-V67 VanDerWaalsContact O-CG2 3.28Å; R63-V67 WeakPolarHBondContact O-CG2 3.05Å; M64-V67 PolarHBondContact O-N 2.09Å
68S43Very low47.1Very low60 Ų6093.4 Ų93.442%0.4252%0.517SS..  trans-117.8104.6178.8-170.40000110.7D70S68-D70 PolarHBondContact O-N 3.39Å
69S42.2Very low46.7Very low121 Ų12194.1 Ų94.185%0.84652%0.519SS*.THydrogen-bonded Turntrans-67.4-12.9173.943.10000113.8
70D40.9Very low46.6Very low144 Ų14495.9 Ų95.977%0.7752%0.524SS*.THydrogen-bonded Turntrans-97.81.4-173.9-62.5-39000113.6S68S68-D70 PolarHBondContact O-N 3.39Å
71G43.7Very low46.5Very low36 Ų3696 Ų9637%0.37153%0.533SS..  trans58.5177.5-169.500000111.7S73G71-S73 PolarHBondContact O-N 2.87Å
72P43.5Very low46.2Very low75 Ų7595.3 Ų95.349%0.48754%0.538SS..  trans-66.8112.5169.627.6-29.4000107.6G74 A76P72-G74 PolarHBondContact O-N 3.37Å; P72-A76 HydrophobicContact CB-CB 4.1Å
73S40.7Very low45.7Very low71 Ų7192.1 Ų92.150%0.49753%0.529SS..  trans-49.6142.9149.364.90000106.5G71 E75 A76G71-S73 PolarHBondContact O-N 2.87Å; S73-E75 PolarHBondContact O-N 3.17Å; S73-A76 PolarHBondContact O-N 3.1Å
74G43.7Very low45.5Very low51 Ų5187.1 Ų87.153%0.52652%0.515SS..Hα-helixtrans-45.8-28.9-178.300000113P72 A76 S77 D78P72-G74 PolarHBondContact O-N 3.37Å; G74-A76 PolarHBondContact O-N 2.92Å; G74-S77 PolarHBondContact O-N 3.42Å; G74-D78 WeakPolarHBondContact O-CB 3.33Å; G74-D78 VanDerWaalsContact O-CG 3.27Å; G74-D78 PolarHBondContact O-N 3.06Å
75E39.5Very low45.6Very low113 Ų11386.5 Ų86.553%0.52852%0.522SS..Hα-helixtrans-56.7-37.9174.3-144.2-174.1153.500116S73 R79S73-E75 PolarHBondContact O-N 3.17Å; E75-R79 VanDerWaalsContact O-CB 3.3Å; E75-R79 WeakPolarHBondContact O-CB 3.16Å; E75-R79 WeakPolarHBondContact O-CG 3.46Å; E75-R79 PolarHBondContact O-N 2.87Å; E75-R79 IonicContact OE1-CZ 3.47Å; E75-R79 IonicContact OE1-NE 3.53Å; E75-R79 IonicContact OE1-NH2 2.75Å; E75-R79 PolarHBondContact OE1-NH2 3.39Å
76A42.4Very low45.5Very low53 Ų5388.3 Ų88.344%0.43853%0.534SS..Hα-helixtrans-75.7-35.2179.200000112P72 S73 G74 L80P72-A76 HydrophobicContact CB-CB 4.1Å; S73-A76 PolarHBondContact O-N 3.1Å; G74-A76 PolarHBondContact O-N 2.92Å; A76-L80 WeakPolarHBondContact O-CB 3.33Å; A76-L80 PolarHBondContact O-N 3.29Å; A76-L80 VanDerWaalsContact O-N 3.16Å
77S47.9Very low45.1Very low61 Ų6188 Ų8843%0.42752%0.524SS..Hα-helixtrans-71.5-38.5173.9-165.20000111.2G74 L80 A81G74-S77 PolarHBondContact O-N 3.42Å; S77-L80 PolarHBondContact O-N 3Å; S77-A81 WeakPolarHBondContact O-CB 3.29Å; S77-A81 PolarHBondContact O-N 2.1Å
78D48.8Very low44.4Very low110 Ų11094.8 Ų94.859%0.58854%0.541SS*.Hα-helixtrans-69.2-39.7176-75.2-22.6000111.8G74 L80 A81 D82G74-D78 WeakPolarHBondContact O-CB 3.33Å; G74-D78 VanDerWaalsContact O-CG 3.27Å; G74-D78 PolarHBondContact O-N 3.06Å; D78-L80 VanDerWaalsContact C-N 3.31Å; D78-L80 PolarHBondContact O-N 3.27Å; D78-A81 PolarHBondContact O-N 3.06Å; D78-D82 VanDerWaalsContact O-CB 3.26Å; D78-D82 WeakPolarHBondContact O-CB 3.46Å; D78-D82 PolarHBondContact O-N 3.31Å
79R46.1Very low44Very low160 Ų16099 Ų9960%0.60456%0.557SS**Hα-helixtrans-65.3-33.5173.8-76.4174.8-175.6-151.95.1112.7E75 F83E75-R79 VanDerWaalsContact O-CB 3.3Å; E75-R79 WeakPolarHBondContact O-CB 3.16Å; E75-R79 WeakPolarHBondContact O-CG 3.46Å; E75-R79 PolarHBondContact O-N 2.87Å; E75-R79 IonicContact OE1-CZ 3.47Å; E75-R79 IonicContact OE1-NE 3.53Å; E75-R79 IonicContact OE1-NH2 2.75Å; E75-R79 PolarHBondContact OE1-NH2 3.39Å; R79-F83 WeakPolarHBondContact O-CB 3.43Å; R79-F83 PolarHBondContact O-N 2.88Å
80L49Very low43.3Very low94 Ų94103.2 Ų103.249%0.49256%0.555SS.*Hα-helixtrans-71.5-40.3173.4-173.865000111.1A76 S77 D78 M84A76-L80 WeakPolarHBondContact O-CB 3.33Å; A76-L80 PolarHBondContact O-N 3.29Å; A76-L80 VanDerWaalsContact O-N 3.16Å; S77-L80 PolarHBondContact O-N 3Å; D78-L80 VanDerWaalsContact C-N 3.31Å; D78-L80 PolarHBondContact O-N 3.27Å; L80-M84 WeakPolarHBondContact O-CB 3.26Å; L80-M84 WeakPolarHBondContact O-CG 3.4Å; L80-M84 PolarHBondContact O-N 3.21Å
81A51.3Low42.8Very low58 Ų58106 Ų10648%0.47956%0.555SS.*Hα-helixtrans-64.5-40.4174.300000112.2S77 D78 M84 A85S77-A81 WeakPolarHBondContact O-CB 3.29Å; S77-A81 PolarHBondContact O-N 2.1Å; D78-A81 PolarHBondContact O-N 3.06Å; A81-M84 PolarHBondContact O-N 3.23Å; A81-A85 WeakPolarHBondContact O-CB 3.4Å; A81-A85 PolarHBondContact O-N 2.87Å
82D51.1Low42.1Very low100 Ų100111.5 Ų111.554%0.53558%0.575SS.*Hα-helixtrans-71.9-38.3178-164.656.6000112.1D78 M84 A85 N86D78-D82 VanDerWaalsContact O-CB 3.26Å; D78-D82 WeakPolarHBondContact O-CB 3.46Å; D78-D82 PolarHBondContact O-N 3.31Å; D82-M84 VanDerWaalsContact C-N 3.32Å; D82-M84 PolarHBondContact O-N 3.39Å; D82-A85 PolarHBondContact O-N 3.18Å; D82-N86 WeakPolarHBondContact O-CB 3.49Å; D82-N86 PolarHBondContact O-N 2.88Å; D82-N86 PolarHBondContact O-ND2 3.21Å
83F45.5Very low41.6Very low106 Ų106114.6 Ų114.647%0.46559%0.593SS.*Hα-helixtrans-60-42.8170.3180-101000111.6T22 R79 N86 I87T22-F83 HydrophobicContact CG2-CZ 4.27Å; R79-F83 WeakPolarHBondContact O-CB 3.43Å; R79-F83 PolarHBondContact O-N 2.88Å; F83-N86 PolarHBondContact O-N 3.17Å; F83-I87 HydrophobicContact CE1-CD1 4.49Å
84M48.8Very low41.1Very low84 Ų84114.1 Ų114.141%0.41460%0.599SS.*Hα-helixtrans-69.4-33.3176.5-67.1-75.2-89.400112.3L80 A81 D82 N86 I87 L108L80-M84 WeakPolarHBondContact O-CB 3.26Å; L80-M84 WeakPolarHBondContact O-CG 3.4Å; L80-M84 PolarHBondContact O-N 3.21Å; A81-M84 PolarHBondContact O-N 3.23Å; D82-M84 VanDerWaalsContact C-N 3.32Å; D82-M84 PolarHBondContact O-N 3.39Å; M84-N86 VanDerWaalsContact C-N 3.31Å; M84-I87 HydrophobicContact SD-CD1 4.43Å; M84-L108 HydrophobicContact CE-CD1 4.08Å
85A49.1Very low40.8Very low69 Ų69117.5 Ų117.557%0.5762%0.615SS**Hα-helixtrans-69.7-27.4174.600000113A81 D82A81-A85 WeakPolarHBondContact O-CB 3.4Å; A81-A85 PolarHBondContact O-N 2.87Å; D82-A85 PolarHBondContact O-N 3.18Å
86N43.4Very low40.9Very low114 Ų114119.2 Ų119.261%0.6162%0.623SS**THydrogen-bonded Turntrans-87.9-0.2-180-88-41.1000115D82 F83 M84 R88D82-N86 WeakPolarHBondContact O-CB 3.49Å; D82-N86 PolarHBondContact O-N 2.88Å; D82-N86 PolarHBondContact O-ND2 3.21Å; F83-N86 PolarHBondContact O-N 3.17Å; M84-N86 VanDerWaalsContact C-N 3.31Å; N86-R88 PolarHBondContact O-N 3.03Å
87I40.7Very low40.5Very low85 Ų85124.1 Ų124.144%0.43663%0.634SS.*  trans-74.963167.5-51.1-176.9000109.5F83 M84 L89F83-I87 HydrophobicContact CE1-CD1 4.49Å; M84-I87 HydrophobicContact SD-CD1 4.43Å; I87-L89 HydrophobicContact CG2-CD1 4.07Å; I87-L89 HydrophobicContact CG2-CG 4.34Å; I87-L89 PolarHBondContact O-N 3.43Å; I87-L89 VanDerWaalsContact O-N 3.13Å
88R30.9Very low40.4Very low226 Ų226125.2 Ų125.285%0.85364%0.642SS**  trans-81.171.1162.4-84.7-176.6179.7152.10.2108.9N86 R90N86-R88 PolarHBondContact O-N 3.03Å; R88-R90 PolarHBondContact O-N 3.49Å; R88-R90 VanDerWaalsContact O-N 3.15Å
89L35Very low40.1Very low147 Ų147125.2 Ų125.277%0.7764%0.642SS**  trans-71.9107.8162.1-84163.3000108.4I87I87-L89 HydrophobicContact CG2-CD1 4.07Å; I87-L89 HydrophobicContact CG2-CG 4.34Å; I87-L89 PolarHBondContact O-N 3.43Å; I87-L89 VanDerWaalsContact O-N 3.13Å
90R28.4Very low39.9Very low210 Ų210123.7 Ų123.779%0.79264%0.64SS**  trans-53.8149.3172.7-74.2-171-179.1-160.22.6111.1R88R88-R90 PolarHBondContact O-N 3.49Å; R88-R90 VanDerWaalsContact O-N 3.15Å
91R29.8Very low39.7Very low204 Ų204124.2 Ų124.277%0.7764%0.64SS**  trans97.4112.5152.1-75.8168.7175.9151.9-2.9118.8
92N27.7Very low39.6Very low150 Ų150127.7 Ų127.780%0.80264%0.644SS**  36.4102.5128.8-74.4-5.2000116.9
93V33.9Very low39.5Very low140 Ų140128.9 Ų128.985%0.84864%0.641SS**  -161.2140.7117.6174.90000105.4
94G29.3Very low39.5Very low61 Ų61126.9 Ų126.963%0.62963%0.634SS**  trans-62.4153.4-163.100000116.7Q96G94-Q96 PolarHBondContact O-N 3.34Å
95S39.1Very low39.7Very low123 Ų123128.8 Ų128.886%0.8664%0.64SS**SBendtrans6621.6143.5-148.50000120.8
96Q39.9Very low40.2Very low148 Ų148132.7 Ų132.769%0.69264%0.64SS**  trans-127.62.8171.1-80.7-74.6-31.200114.2G94 S98G94-Q96 PolarHBondContact O-N 3.34Å; Q96-S98 VanDerWaalsContact C-N 3.32Å; Q96-S98 PolarHBondContact O-N 3.03Å
97K35.7Very low40.6Very low156 Ų156129.9 Ų129.968%0.67863%0.627SS**Hα-helixtrans-70.7-11.9-171.5-89.9-174.1173.3-176.50116.3
98S45Very low41.3Very low85 Ų85129.8 Ų129.859%0.59463%0.627SS**Hα-helixtrans-85.1-32.4-175.153.50000114Q96 F102Q96-S98 VanDerWaalsContact C-N 3.32Å; Q96-S98 PolarHBondContact O-N 3.03Å; S98-F102 WeakPolarHBondContact O-CB 3.49Å; S98-F102 PolarHBondContact O-N 3.49Å
99N43.2Very low42.7Very low110 Ų110126.4 Ų126.459%0.58862%0.618SS**Hα-helixtrans-80.8-42.6-169.1-78-14.5000113.9W103N99-W103 WeakPolarHBondContact O-CB 3.37Å; N99-W103 PolarHBondContact O-N 3.39Å
100F41.2Very low43.7Very low127 Ų127122.9 Ų122.956%0.55760%0.6SS**Hα-helixtrans-71-41.6-178.4-176.9-102.7000112.3W103 M104F100-W103 PolarHBondContact O-N 2.94Å; F100-M104 HydrophobicContact CD1-CE 4.08Å; F100-M104 HydrophobicContact CE1-CE 3.43Å; F100-M104 VanDerWaalsContact CE1-CE 3.43Å; F100-M104 HydrophobicContact CE1-CG 4.1Å; F100-M104 HydrophobicContact CE1-SD 3.82Å; F100-M104 HydrophobicContact CE2-CG 4.34Å; F100-M104 HydrophobicContact CZ-CE 4.06Å; F100-M104 HydrophobicContact CZ-CG 3.97Å; F100-M104 HydrophobicContact CZ-SD 3.79Å; F100-M104 WeakPolarHBondContact O-CB 3.34Å; F100-M104 PolarHBondContact O-N 2.91Å
101E45.9Very low44.9Very low105 Ų105116.5 Ų116.549%0.49158%0.58SS.*Hα-helixtrans-67.7-39.3178.2-140.7-140.9147.600111.2K105E101-K105 VanDerWaalsContact O-CB 3.27Å; E101-K105 WeakPolarHBondContact O-CB 3.05Å; E101-K105 VanDerWaalsContact O-CG 3.28Å; E101-K105 WeakPolarHBondContact O-CG 3.42Å; E101-K105 PolarHBondContact O-N 2.88Å; E101-K105 VanDerWaalsContact OE1-CE 3.24Å; E101-K105 WeakPolarHBondContact OE1-CE 3.35Å; E101-K105 IonicContact OE1-NZ 3.7Å; E101-K105 PolarHBondContact OE1-NZ 3.27Å; E101-K105 IonicContact OE2-NZ 3.75Å
102F48.1Very low46.1Very low132 Ų132110.4 Ų110.458%0.57957%0.565SS**Hα-helixtrans-65.5-43.5173.7-176.1-96.3000111.9S98 K105 R106S98-F102 WeakPolarHBondContact O-CB 3.49Å; S98-F102 PolarHBondContact O-N 3.49Å; F102-K105 PolarHBondContact O-N 2.9Å; F102-R106 WeakPolarHBondContact O-CB 3.48Å; F102-R106 PolarHBondContact O-N 3.41Å
103W48.2Very low47.2Very low125 Ų125111.7 Ų111.747%0.47356%0.558SS.*Hα-helixtrans-65.6-45.9178.7-173.785.2000111.8N99 F100 R106 V107N99-W103 WeakPolarHBondContact O-CB 3.37Å; N99-W103 PolarHBondContact O-N 3.39Å; F100-W103 PolarHBondContact O-N 2.94Å; W103-R106 PolarHBondContact O-N 3.09Å; W103-R106 VanDerWaalsContact O-N 3.17Å; W103-V107 HydrophobicContact CD2-CG2 3.93Å; W103-V107 HydrophobicContact CE3-CG2 4.14Å; W103-V107 HydrophobicContact CH2-CG2 3.96Å; W103-V107 HydrophobicContact CZ2-CG2 3.75Å; W103-V107 HydrophobicContact CZ3-CG2 4.16Å; W103-V107 WeakPolarHBondContact O-CG2 3.32Å; W103-V107 PolarHBondContact O-N 3.24Å
104M46.7Very low48.1Very low63 Ų63110.3 Ų110.331%0.3155%0.546SS..Hα-helixtrans-63.3-42.7174.7-83.3-149.8-55.800112.4F100 R106 V107 L108F100-M104 HydrophobicContact CD1-CE 4.08Å; F100-M104 HydrophobicContact CE1-CE 3.43Å; F100-M104 VanDerWaalsContact CE1-CE 3.43Å; F100-M104 HydrophobicContact CE1-CG 4.1Å; F100-M104 HydrophobicContact CE1-SD 3.82Å; F100-M104 HydrophobicContact CE2-CG 4.34Å; F100-M104 HydrophobicContact CZ-CE 4.06Å; F100-M104 HydrophobicContact CZ-CG 3.97Å; F100-M104 HydrophobicContact CZ-SD 3.79Å; F100-M104 WeakPolarHBondContact O-CB 3.34Å; F100-M104 PolarHBondContact O-N 2.91Å; M104-R106 PolarHBondContact O-N 3.45Å; M104-V107 PolarHBondContact O-N 2.99Å; M104-L108 WeakPolarHBondContact O-CB 3.06Å; M104-L108 PolarHBondContact O-N 3.43Å
105K52.8Low49Very low124 Ų124109.6 Ų109.654%0.53953%0.531SS..Hα-helixtrans-59.1-36174.3-82.3171.6168.6162.60111.6E101 F102 K109E101-K105 VanDerWaalsContact O-CB 3.27Å; E101-K105 WeakPolarHBondContact O-CB 3.05Å; E101-K105 VanDerWaalsContact O-CG 3.28Å; E101-K105 WeakPolarHBondContact O-CG 3.42Å; E101-K105 PolarHBondContact O-N 2.88Å; E101-K105 VanDerWaalsContact OE1-CE 3.24Å; E101-K105 WeakPolarHBondContact OE1-CE 3.35Å; E101-K105 IonicContact OE1-NZ 3.7Å; E101-K105 PolarHBondContact OE1-NZ 3.27Å; E101-K105 IonicContact OE2-NZ 3.75Å; F102-K105 PolarHBondContact O-N 2.9Å; K105-K109 WeakPolarHBondContact O-CB 3.45Å; K105-K109 PolarHBondContact O-N 2.82Å
106R60Low49.4Very low151 Ų151108.3 Ų108.357%0.5752%0.515SS*.Hα-helixtrans-73.6-47.2178.1-168.4168.8174.2155.1-5.5112.5F102 W103 M104 L108 K109 D110F102-R106 WeakPolarHBondContact O-CB 3.48Å; F102-R106 PolarHBondContact O-N 3.41Å; W103-R106 PolarHBondContact O-N 3.09Å; W103-R106 VanDerWaalsContact O-N 3.17Å; M104-R106 PolarHBondContact O-N 3.45Å; R106-L108 PolarHBondContact O-N 2.97Å; R106-K109 PolarHBondContact O-N 2.89Å; R106-D110 WeakPolarHBondContact O-CB 3.43Å; R106-D110 PolarHBondContact O-N 2.65Å
107V52.1Low49.8Very low55 Ų55103.8 Ų103.833%0.33350%0.5SS..Hα-helixtrans-60.3-44.3177.2172.60000111.4W103 M104 E111W103-V107 HydrophobicContact CD2-CG2 3.93Å; W103-V107 HydrophobicContact CE3-CG2 4.14Å; W103-V107 HydrophobicContact CH2-CG2 3.96Å; W103-V107 HydrophobicContact CZ2-CG2 3.75Å; W103-V107 HydrophobicContact CZ3-CG2 4.16Å; W103-V107 WeakPolarHBondContact O-CG2 3.32Å; W103-V107 PolarHBondContact O-N 3.24Å; M104-V107 PolarHBondContact O-N 2.99Å; V107-E111 WeakPolarHBondContact O-CB 3.47Å; V107-E111 WeakPolarHBondContact O-CG 3.18Å; V107-E111 PolarHBondContact O-N 3.2Å
108L54.2Low50.2Low83 Ų8399.8 Ų99.844%0.43549%0.491SS..Hα-helixtrans-68.1-37.2176.6-78.6158.3000112.1M84 M104 R106 V112M84-L108 HydrophobicContact CE-CD1 4.08Å; M104-L108 WeakPolarHBondContact O-CB 3.06Å; M104-L108 PolarHBondContact O-N 3.43Å; R106-L108 PolarHBondContact O-N 2.97Å; L108-V112 WeakPolarHBondContact O-CB 3.48Å; L108-V112 WeakPolarHBondContact O-CG2 3.3Å; L108-V112 PolarHBondContact O-N 3.16Å
109K61.1Low50Low155 Ų15598 Ų9867%0.67448%0.481SS*.Hα-helixtrans-68.2-39.1177-170.6173.5-170.7176.20112K105 R106 R113K105-K109 WeakPolarHBondContact O-CB 3.45Å; K105-K109 PolarHBondContact O-N 2.82Å; R106-K109 PolarHBondContact O-N 2.89Å; K109-R113 WeakPolarHBondContact O-CB 3.29Å; K109-R113 PolarHBondContact O-N 3.02Å
110D54.6Low49.9Very low73 Ų73101.4 Ų101.439%0.3949%0.491SS..Hα-helixtrans-69.3-41176.3-72.4-22.9000111.1R106 R113 L114R106-D110 WeakPolarHBondContact O-CB 3.43Å; R106-D110 PolarHBondContact O-N 2.65Å; D110-R113 PolarHBondContact O-N 2.76Å; D110-L114 WeakPolarHBondContact O-CB 3.28Å; D110-L114 WeakPolarHBondContact O-CD1 3.3Å; D110-L114 WeakPolarHBondContact O-CG 3.21Å; D110-L114 PolarHBondContact O-N 3.31Å
111E54.2Low50.1Low77 Ų77105.2 Ų105.236%0.3650%0.502SS..Hα-helixtrans-63.4-44.2173.4-79.6-81.8-177.300112.4V107 R113 L114 S115V107-E111 WeakPolarHBondContact O-CB 3.47Å; V107-E111 WeakPolarHBondContact O-CG 3.18Å; V107-E111 PolarHBondContact O-N 3.2Å; E111-R113 VanDerWaalsContact C-N 3.3Å; E111-R113 PolarHBondContact O-N 2.04Å; E111-L114 PolarHBondContact O-N 2.94Å; E111-S115 VanDerWaalsContact O-CB 3.25Å; E111-S115 WeakPolarHBondContact O-CB 3.47Å; E111-S115 PolarHBondContact O-N 3.35Å
112V54.4Low50.1Low76 Ų76106.8 Ų106.846%0.46151%0.509SS..Hα-helixtrans-65.1-35.6174.9170.80000111.1L108 N116L108-V112 WeakPolarHBondContact O-CB 3.48Å; L108-V112 WeakPolarHBondContact O-CG2 3.3Å; L108-V112 PolarHBondContact O-N 3.16Å; V112-N116 VanDerWaalsContact O-CB 3.26Å; V112-N116 WeakPolarHBondContact O-CB 3.02Å; V112-N116 PolarHBondContact O-N 2.84Å; V112-N116 PolarHBondContact O-ND2 3.38Å
113R52.8Low49.8Very low176 Ų176106.5 Ų106.566%0.66452%0.518SS*.Hα-helixtrans-71.5-39.6177-164176.5-170.5174.81.7111.8K109 D110 E111 S117K109-R113 WeakPolarHBondContact O-CB 3.29Å; K109-R113 PolarHBondContact O-N 3.02Å; D110-R113 PolarHBondContact O-N 2.76Å; E111-R113 VanDerWaalsContact C-N 3.3Å; E111-R113 PolarHBondContact O-N 2.04Å; R113-S117 WeakPolarHBondContact O-CB 3.49Å; R113-S117 PolarHBondContact O-N 2.81Å; R113-S117 PolarHBondContact O-OG 2.97Å
114L52.2Low49.3Very low111 Ų111103.6 Ų103.658%0.58153%0.527SS*.Hα-helixtrans-65.4-44.4173.6-80.1156.3000111D110 E111 S117 S118D110-L114 WeakPolarHBondContact O-CB 3.28Å; D110-L114 WeakPolarHBondContact O-CD1 3.3Å; D110-L114 WeakPolarHBondContact O-CG 3.21Å; D110-L114 PolarHBondContact O-N 3.31Å; E111-L114 PolarHBondContact O-N 2.94Å; L114-S117 PolarHBondContact O-N 3.43Å; L114-S118 PolarHBondContact O-N 3.27Å; L114-S118 PolarHBondContact O-OG 2.93Å
115S48.7Very low49Very low46 Ų46112.1 Ų112.132%0.32256%0.557SS.*Hα-helixtrans-63.6-45.3176.1-169.50000112E111 S117 S118 A119E111-S115 VanDerWaalsContact O-CB 3.25Å; E111-S115 WeakPolarHBondContact O-CB 3.47Å; E111-S115 PolarHBondContact O-N 3.35Å; S115-S117 VanDerWaalsContact C-N 3.35Å; S115-S117 PolarHBondContact O-N 2.91Å; S115-S118 PolarHBondContact O-N 2.85Å; S115-A119 WeakPolarHBondContact O-CB 2.93Å; S115-A119 PolarHBondContact O-N 3.19Å
116N46Very low48.3Very low96 Ų96109.1 Ų109.151%0.51356%0.562SS.*Hα-helixtrans-69.2-28.6175-85.5-30.5000113.6V112 K120V112-N116 VanDerWaalsContact O-CB 3.26Å; V112-N116 WeakPolarHBondContact O-CB 3.02Å; V112-N116 PolarHBondContact O-N 2.84Å; V112-N116 PolarHBondContact O-ND2 3.38Å; N116-K120 WeakPolarHBondContact O-CB 3.45Å; N116-K120 PolarHBondContact O-N 3.05Å
117S48Very low47.3Very low54 Ų54106.4 Ų106.438%0.37858%0.581SS.*Hα-helixtrans-77.9-27.4176.3-590000112.4R113 L114 S115R113-S117 WeakPolarHBondContact O-CB 3.49Å; R113-S117 PolarHBondContact O-N 2.81Å; R113-S117 PolarHBondContact O-OG 2.97Å; L114-S117 PolarHBondContact O-N 3.43Å; S115-S117 VanDerWaalsContact C-N 3.35Å; S115-S117 PolarHBondContact O-N 2.91Å
118S44.4Very low47Very low71 Ų71107 Ų10750%0.49760%0.598SS.*Hα-helixtrans-76.5-39.3169.4-710000111.5L114 S115 R121L114-S118 PolarHBondContact O-N 3.27Å; L114-S118 PolarHBondContact O-OG 2.93Å; S115-S118 PolarHBondContact O-N 2.85Å; S118-R121 PolarHBondContact O-N 3.41Å
119A41.2Very low46.8Very low48 Ų48106.9 Ų106.940%0.39760%0.603SS.*Hα-helixtrans-67.8-37.6175.700000112.9S115 R121 Q122S115-A119 WeakPolarHBondContact O-CB 2.93Å; S115-A119 PolarHBondContact O-N 3.19Å; A119-R121 VanDerWaalsContact C-N 3.29Å; A119-R121 PolarHBondContact O-N 3.44Å; A119-Q122 PolarHBondContact O-N 3.33Å
120K42Very low46.5Very low182 Ų182101.2 Ų101.279%0.79158%0.583SS**THydrogen-bonded Turntrans-71.3-17.8176.6-85.1-175.2174.4-175.10114.7N116N116-K120 WeakPolarHBondContact O-CB 3.45Å; N116-K120 PolarHBondContact O-N 3.05Å
121R45.7Very low46.6Very low207 Ų207103.6 Ų103.678%0.78160%0.6SS**THydrogen-bonded Turntrans-82.9-11.9172.3-96.2-174.5-81.4-151-0.4113.5S118 A119S118-R121 PolarHBondContact O-N 3.41Å; A119-R121 VanDerWaalsContact C-N 3.29Å; A119-R121 PolarHBondContact O-N 3.44Å
122Q45.5Very low46.9Very low138 Ų138100.9 Ų100.965%0.64559%0.589SS**SBendtrans-92.1-1-178.1-75.3-170.1-29.300114.8A119A119-Q122 PolarHBondContact O-N 3.33Å
123V42Very low47.5Very low126 Ų126100.9 Ų100.976%0.76459%0.587SS**  trans-110.161.5-179.3-162.60000110.4
124G37.5Very low48.5Very low64 Ų64100.7 Ų100.766%0.6659%0.586SS**  trans-130.272.3166.400000108.3G126G124-G126 PolarHBondContact O-N 2.94Å
125Y40.2Very low49.4Very low241 Ų24195.5 Ų95.595%0.94556%0.559SS**  trans-6981.8169.6-96.7-95.3000108.4
126G38.2Very low50.8Low62 Ų6298.1 Ų98.164%0.63957%0.569SS**  trans-141.4112.8170.300000107.3G124 G128G124-G126 PolarHBondContact O-N 2.94Å; G126-G128 PolarHBondContact O-N 3.43Å
127G39.2Very low52.4Low94 Ų9496 Ų9697%0.96956%0.56SS**  trans-54.1125.4-173.700000112.7
128G44.1Very low54Low67 Ų6793.4 Ų93.469%0.69154%0.543SS*.  trans160.7106.3174.100000113G126G126-G128 PolarHBondContact O-N 3.43Å
129C51.7Low55.9Low80 Ų8093 Ų9354%0.54154%0.538SS..  trans51.1139.4171.4-63.10000120.3T131 C315C129-T131 PolarHBondContact O-N 3.23Å; C129-T131 VanDerWaalsContact O-N 3.16Å; C129-C315 WeakPolarHBondContact CA-SG 3.48Å; C129-C315 HydrophobicContact CB-CB 4.19Å; C129-C315 WeakPolarHBondContact CB-SG 3.43Å; C129-C315 WeakPolarHBondContact SG-CB 3.3Å; C129-C315 CovalentContact SG-SG 2.04Å; C129-C315 PolarHBondContact SG-SG 3Å
130C53.8Low57.8Low37 Ų3793.7 Ų93.725%0.2554%0.539CS..  trans-46.5119167.2-73.40000109.5C132 C179 C312C130-C132 PolarHBondContact O-N 2.96Å; C130-C179 HydrophobicContact CB-CB 4.26Å; C130-C179 WeakPolarHBondContact CB-SG 3.35Å; C130-C179 WeakPolarHBondContact SG-CB 3.08Å; C130-C179 CovalentContact SG-SG 2.1Å; C130-C179 PolarHBondContact SG-SG 3.22Å; C130-C312 HydrophobicContact CB-CB 4.41Å; C130-C312 WeakPolarHBondContact CB-SG 3.42Å; C130-C312 PolarHBondContact O-SG 2.91Å
131T58Low59.7Low123 Ų12385.1 Ų85.176%0.75550%0.502SS*.  trans-80.398.5166.954.50000108.1C129C129-T131 PolarHBondContact O-N 3.23Å; C129-T131 VanDerWaalsContact O-N 3.16Å
132C60.2Low61.7Low20 Ų2081.6 Ų81.614%0.13549%0.494CS..PPolyproline II helixtrans-63.2128.7174.7-79.50000109.8C130 C181 G310 C312C130-C132 PolarHBondContact O-N 2.96Å; C132-C181 HydrophobicContact CB-CB 3.91Å; C132-C181 WeakPolarHBondContact SG-CB 3.09Å; C132-G310 WeakPolarHBondContact CB-O 3.35Å; C132-G310 PolarHBondContact SG-O 2.79Å; C132-C312 WeakPolarHBondContact CB-SG 3.26Å; C132-C312 WeakPolarHBondContact SG-CB 3.16Å; C132-C312 CovalentContact SG-SG 2.08Å; C132-C312 PolarHBondContact SG-SG 2.98Å
133N66.8Low63.5Low76 Ų7677.6 Ų77.641%0.40648%0.481SS..PPolyproline II helixtrans-64.9163.7176.2-78.6-41.8000110.9A165 S168 A183N133-A165 HydrophobicContact CB-CB 3.73Å; N133-S168 PolarHBondContact ND2-OG 3.41Å; N133-A183 WeakPolarHBondContact O-CB 3.33Å
134R72.6Confident65.5Low171 Ų17171.7 Ų71.765%0.64545%0.445SS*.BIsolated β-bridgetrans-98.5146.1172.9-72.9-172.3-175.1175.70.1110.8A165 G307 A309R134-A165 WeakPolarHBondContact O-CB 3.24Å; R134-G307 WeakPolarHBondContact CB-O 3.46Å; R134-G307 WeakPolarHBondContact CD-O 3.42Å; R134-G307 WeakPolarHBondContact CG-O 3.26Å; R134-A309 HydrophobicContact CG-CB 4.36Å
135G72.6Confident67.8Low2 Ų274.3 Ų74.32%0.02144%0.443CS..PPolyproline II helixtrans-58.1145.4170.800000111.3G307G135-G307 PolarHBondContact O-N 3.16Å
136L77.2Confident70Confident102 Ų10264.4 Ų64.453%0.53441%0.411SS..PPolyproline II helixtrans-73.6145.8178.6-68.1176.1000110G162 P163 G186L136-G162 WeakPolarHBondContact O-CA 3.26Å; L136-P163 HydrophobicContact CB-CG 4.04Å; L136-P163 HydrophobicContact CD1-CG 4.08Å; L136-P163 PolarHBondContact N-O 3.4Å; L136-P163 VanDerWaalsContact N-O 3.08Å; L136-G186 WeakPolarHBondContact O-CA 3.35Å; L136-G186 PolarHBondContact O-N 2.88Å
137P79.8Confident72Confident50 Ų5061.5 Ų61.533%0.32538%0.382SS..PPolyproline II helixtrans-46.7141.7166.9-34.640.7000113.7G304 P306P137-G304 VanDerWaalsContact CB-O 3.29Å; P137-G304 WeakPolarHBondContact CB-O 3.16Å; P137-P306 HydrophobicContact CG-CB 4.2Å; P137-P306 HydrophobicContact CG-CG 3.85Å
138G81.8Confident74Confident1 Ų158.7 Ų58.71%0.0135%0.349CS..PPolyproline II helixtrans-61142.6163.700000111.2E160 G162 D187 P303 G304G138-E160 WeakPolarHBondContact CA-O 3.41Å; G138-G162 VanDerWaalsContact CA-CA 3.45Å; G138-G162 VanDerWaalsContact CA-N 3.35Å; G138-D187 WeakPolarHBondContact CA-O 3.44Å; G138-D187 PolarHBondContact N-O 3.39Å; G138-D187 VanDerWaalsContact N-O 3.12Å; G138-P303 WeakPolarHBondContact O-CA 3.42Å; G138-G304 PolarHBondContact O-N 3.41Å
139P83Confident75.5Confident62 Ų6259.3 Ų59.340%0.40334%0.337SS..PPolyproline II helixtrans-60.1154.4172.727.5-35.7000111.2G159 E160 G189P139-G159 WeakPolarHBondContact O-CA 3.27Å; P139-E160 WeakPolarHBondContact CD-O 3.38Å; P139-E160 HydrophobicContact CG-CB 4.31Å; P139-G189 WeakPolarHBondContact O-CA 3.37Å
140P82.9Confident76.3Confident62 Ų6257.4 Ų57.440%0.40333%0.33SS..  trans-40.4140.8165-38.942.9000114.7G301 P303P140-G301 WeakPolarHBondContact CB-O 3.08Å; P140-P303 HydrophobicContact CG-CB 4.47Å; P140-P303 HydrophobicContact CG-CG 3.86Å
141G81.1Confident77.6Confident2 Ų260.2 Ų60.22%0.02135%0.346CS..PPolyproline II helixtrans-63.2151.7166.300000112.3E157 G159 L190 G301G141-E157 CarbonylContact C-O 3.48Å; G141-E157 WeakPolarHBondContact CA-O 3.45Å; G141-G159 VanDerWaalsContact CA-N 3.32Å; G141-L190 VanDerWaalsContact CA-O 3.24Å; G141-L190 WeakPolarHBondContact CA-O 3.36Å; G141-L190 PolarHBondContact N-O 2.88Å; G141-L190 VanDerWaalsContact N-O 3.08Å; G141-G301 PolarHBondContact O-N 2.92Å
142Q86.8Confident78.7Confident133 Ų13357.5 Ų57.562%0.62133%0.33SS*.PPolyproline II helixtrans-68.2144.1177.4-67-173.438.700110G156 E157 G192Q142-G156 WeakPolarHBondContact O-CA 3.23Å; Q142-E157 PolarHBondContact N-O 2.99Å; Q142-E157 PolarHBondContact O-N 2.93Å; Q142-G192 WeakPolarHBondContact O-CA 3.27Å; Q142-G192 PolarHBondContact O-N 3.16Å
143P84.9Confident79.6Confident55 Ų5556.6 Ų56.636%0.35732%0.324SS..PPolyproline II helixtrans-63.2149.9176.1-10.221.6000112.5G298 P300P143-G298 WeakPolarHBondContact CB-O 3.26Å; P143-P300 HydrophobicContact CG-CB 4.23Å; P143-P300 HydrophobicContact CG-CG 3.93Å
144G82.7Confident80.6Confident1 Ų157.9 Ų57.91%0.0133%0.331CS..PPolyproline II helixtrans-65.6148.5175.400000113L154 E193 P297 G298G144-L154 CarbonylContact C-O 3.59Å; G144-L154 WeakPolarHBondContact CA-O 3.5Å; G144-E193 VanDerWaalsContact CA-O 3.23Å; G144-E193 WeakPolarHBondContact CA-O 3Å; G144-E193 PolarHBondContact N-O 2.96Å; G144-P297 WeakPolarHBondContact O-CA 3.36Å; G144-G298 PolarHBondContact O-N 2.85Å
145L87Confident81.2Confident119 Ų11953.3 Ų53.362%0.62332%0.323SS*.PPolyproline II helixtrans-75.1137.9178-64174.7000110.8G153 L154L145-G153 CarbonylContact O-C 3.56Å; L145-G153 VanDerWaalsContact O-CA 3.26Å; L145-G153 WeakPolarHBondContact O-CA 3.44Å; L145-L154 HydrophobicContact CB-CB 4.31Å; L145-L154 HydrophobicContact CD1-CD1 4.28Å; L145-L154 PolarHBondContact N-O 2.92Å; L145-L154 PolarHBondContact O-N 2.91Å
146A85.8Confident81.8Confident33 Ų3353.6 Ų53.627%0.27333%0.326SS..PPolyproline II helixtrans-58.614417500000112.2G295A146-G295 VanDerWaalsContact CB-C 3.46Å; A146-G295 WeakPolarHBondContact CB-O 3.41Å
147G80.3Confident82.3Confident2 Ų255 Ų552%0.02133%0.33CS..PPolyproline II helixtrans-71.3156.7168.900000111.9V151 V196 S294 G295G147-V151 CarbonylContact C-O 3.52Å; G147-V151 WeakPolarHBondContact CA-O 3.16Å; G147-V196 PolarHBondContact N-O 2.69Å; G147-V196 VanDerWaalsContact N-O 3.16Å; G147-S294 CarbonylContact O-C 3.53Å; G147-S294 WeakPolarHBondContact O-CA 3.24Å; G147-G295 PolarHBondContact O-N 3.44Å
148A80.3Confident82.6Confident34 Ų3456.8 Ų56.828%0.28134%0.342SS..BIsolated β-bridgetrans-143.8145.8176.100000110G150 V151A148-G150 VanDerWaalsContact C-N 3.28Å; A148-G150 PolarHBondContact O-N 3.01Å; A148-V151 PolarHBondContact N-O 2.78Å; A148-V151 WeakPolarHBondContact O-CA 2.76Å; A148-V151 WeakPolarHBondContact O-CB 3.01Å; A148-V151 WeakPolarHBondContact O-CG2 3.49Å; A148-V151 PolarHBondContact O-N 3.21Å
149D75.3Confident82.5Confident81 Ų8157.2 Ų57.243%0.43335%0.346SS..THydrogen-bonded Turntrans55.336.9175.7-63.4-51.3000115V151 T291 G292D149-V151 PolarHBondContact O-N 2.67Å; D149-T291 VanDerWaalsContact CG-CG2 3.44Å; D149-T291 VanDerWaalsContact OD1-CA 3.29Å; D149-T291 WeakPolarHBondContact OD1-CA 3.4Å; D149-T291 WeakPolarHBondContact OD1-CG2 3.35Å; D149-T291 VanDerWaalsContact OD2-CG2 3.24Å; D149-T291 WeakPolarHBondContact OD2-CG2 3.15Å; D149-G292 PolarHBondContact OD1-N 3.49Å
150G69.5Low82.7Confident39 Ų3961.7 Ų61.740%0.40236%0.361SS..THydrogen-bonded Turntrans72.23.5-17500000114.6A148 P152A148-G150 VanDerWaalsContact C-N 3.28Å; A148-G150 PolarHBondContact O-N 3.01Å; G150-P152 WeakPolarHBondContact O-CD 3.45Å
151V80.1Confident82.9Confident97 Ų9766.9 Ų66.959%0.58837%0.373SS*.BIsolated β-bridgetrans-77.9124.6167.2-175.50000108.3G147 A148 D149G147-V151 CarbonylContact C-O 3.52Å; G147-V151 WeakPolarHBondContact CA-O 3.16Å; A148-V151 PolarHBondContact N-O 2.78Å; A148-V151 WeakPolarHBondContact O-CA 2.76Å; A148-V151 WeakPolarHBondContact O-CB 3.01Å; A148-V151 WeakPolarHBondContact O-CG2 3.49Å; A148-V151 PolarHBondContact O-N 3.21Å; D149-V151 PolarHBondContact O-N 2.67Å
152P81.1Confident82.8Confident66 Ų6666.9 Ų66.943%0.42937%0.373SS..PPolyproline II helixtrans-60.3149.3179-26.635.5000113.5G150 D197G150-P152 WeakPolarHBondContact O-CD 3.45Å; P152-D197 WeakPolarHBondContact CA-OD1 3.49Å; P152-D197 WeakPolarHBondContact CB-OD1 3.35Å
153G80.4Confident82.5Confident0 Ų064 Ų640%037%0.365CS..PPolyproline II helixtrans-62.1151.5176.200000112.7L145 R194 D197L145-G153 CarbonylContact O-C 3.56Å; L145-G153 VanDerWaalsContact O-CA 3.26Å; L145-G153 WeakPolarHBondContact O-CA 3.44Å; G153-R194 WeakPolarHBondContact O-CD 3.28Å; G153-R194 VanDerWaalsContact O-CG 3.24Å; G153-R194 WeakPolarHBondContact O-CG 3.37Å; G153-R194 PolarHBondContact O-NH1 2.91Å; G153-D197 PolarHBondContact N-OD1 3.3Å
154L86.8Confident82Confident104 Ų10464.8 Ų64.855%0.54537%0.371SS..PPolyproline II helixtrans-87.2143.4177.9-65.7176000110.6G144 L145 G195G144-L154 CarbonylContact C-O 3.59Å; G144-L154 WeakPolarHBondContact CA-O 3.5Å; L145-L154 HydrophobicContact CB-CB 4.31Å; L145-L154 HydrophobicContact CD1-CD1 4.28Å; L145-L154 PolarHBondContact N-O 2.92Å; L145-L154 PolarHBondContact O-N 2.91Å; L154-G195 PolarHBondContact O-N 3.5Å
155P86.1Confident81.3Confident74 Ų7465.1 Ų65.148%0.48137%0.373SS..PPolyproline II helixtrans-58.3151.6170.4-22.734.2000112.2
156G83.8Confident80.3Confident9 Ų963.7 Ų63.79%0.09337%0.371CS..PPolyproline II helixtrans-68.1155.8171.100000112.1Q142 P191 G192Q142-G156 WeakPolarHBondContact O-CA 3.23Å; G156-P191 WeakPolarHBondContact O-CB 3.11Å; G156-G192 WeakPolarHBondContact CA-O 3.27Å; G156-G192 PolarHBondContact N-O 2.62Å; G156-G192 VanDerWaalsContact N-O 3.15Å
157E87.8Confident79.3Confident130 Ų13066.7 Ų66.761%0.60739%0.388SS*.PPolyproline II helixtrans-83.7144.2174.4-66.5-166.4119.800110.7G141 Q142G141-E157 CarbonylContact C-O 3.48Å; G141-E157 WeakPolarHBondContact CA-O 3.45Å; Q142-E157 PolarHBondContact N-O 2.99Å; Q142-E157 PolarHBondContact O-N 2.93Å
158P86.5Confident78.2Confident89 Ų8968.9 Ų68.958%0.57840%0.403SS*.PPolyproline II helixtrans-53.6147171-14.822.1000111.9P191P158-P191 HydrophobicContact CB-CG 4.13Å; P158-P191 HydrophobicContact CG-CG 3.95Å
159G80.3Confident77Confident9 Ų972.8 Ų72.89%0.09343%0.425CS..PPolyproline II helixtrans-66.9155.9173.900000111.6P139 G141 P188 G189P139-G159 WeakPolarHBondContact O-CA 3.27Å; G141-G159 VanDerWaalsContact CA-N 3.32Å; G159-P188 WeakPolarHBondContact O-CB 3.39Å; G159-G189 PolarHBondContact N-O 3.45Å
160E87.3Confident75.8Confident157 Ų15775.8 Ų75.873%0.73444%0.437SS*.PPolyproline II helixtrans-64.5158.1173.7-65.9-169.7141.300111.4G138 P139G138-E160 WeakPolarHBondContact CA-O 3.41Å; P139-E160 WeakPolarHBondContact CD-O 3.38Å; P139-E160 HydrophobicContact CG-CB 4.31Å
161R86.9Confident74.7Confident171 Ų17179.7 Ų79.765%0.64545%0.447SS*.PPolyproline II helixtrans-64.5135.9173.4-168.3-179.4-67.4-137.2-1.8110P185 G186 P188R161-P185 HydrophobicContact CG-CB 4.02Å; R161-G186 WeakPolarHBondContact CG-O 3.25Å; R161-P188 HydrophobicContact CB-CG 4.37Å
162G79.8Confident73Confident2 Ų278.5 Ų78.52%0.02144%0.437CS..PPolyproline II helixtrans-66.4149.2178.300000112.1L136 G138 P185 G186L136-G162 WeakPolarHBondContact O-CA 3.26Å; G138-G162 VanDerWaalsContact CA-CA 3.45Å; G138-G162 VanDerWaalsContact CA-N 3.35Å; G162-P185 WeakPolarHBondContact O-CB 3.35Å; G162-G186 PolarHBondContact N-O 3.38Å; G162-G186 VanDerWaalsContact N-O 3.17Å; G162-G186 PolarHBondContact O-N 3.4Å
163P79.1Confident71.4Confident71 Ų7185 Ų8546%0.46146%0.462SS..PPolyproline II helixtrans-68.6148.5-178.327.8-34.1000111.7L136L136-P163 HydrophobicContact CB-CG 4.04Å; L136-P163 HydrophobicContact CD1-CG 4.08Å; L136-P163 PolarHBondContact N-O 3.4Å; L136-P163 VanDerWaalsContact N-O 3.08Å
164P75Confident70Confident73 Ų7390.1 Ų90.147%0.47449%0.494SS..PPolyproline II helixtrans-61.5157.2171.927.2-33.4000110.9A183 P185P164-A183 WeakPolarHBondContact CB-O 3.19Å; P164-P185 HydrophobicContact CB-CG 4.26Å
165A68.7Low68.1Low7 Ų790.8 Ų90.86%0.05849%0.492CS..PPolyproline II helixtrans-64.613717800000110.2N133 R134 A183N133-A165 HydrophobicContact CB-CB 3.73Å; R134-A165 WeakPolarHBondContact O-CB 3.24Å; A165-A183 HydrophobicContact CB-CB 3.53Å
166P65.7Low66.4Low89 Ų8992.7 Ų92.758%0.57851%0.505SS*.PPolyproline II helixtrans-63.3143.5170.627.1-32.7000109.5S168P166-S168 PolarHBondContact O-N 2.93Å
167P63.7Low64.7Low97 Ų97100.7 Ų100.763%0.6354%0.539SS*.PPolyproline II helixtrans-59.1135.4176.224.3-32.8000109.8P169P167-P169 VanDerWaalsContact O-CD 3.3Å; P167-P169 WeakPolarHBondContact O-CD 3.24Å
168S58.4Low63Low48 Ų4899.1 Ų99.134%0.33653%0.532SS..PPolyproline II helixtrans-63.7119.1-177.7-68.20000111.4N133 P166 H170N133-S168 PolarHBondContact ND2-OG 3.41Å; P166-S168 PolarHBondContact O-N 2.93Å; S168-H170 PolarHBondContact O-N 2.94Å
169P54.6Low61.3Low115 Ų11596.6 Ų96.675%0.74752%0.517SS*.  trans-79.18.1-177.529.2-32.2000114.7P167P167-P169 VanDerWaalsContact O-CD 3.3Å; P167-P169 WeakPolarHBondContact O-CD 3.24Å
170H49.2Very low60.1Low145 Ų145100.8 Ų100.867%0.67154%0.542SS*.SBendtrans-115.724.7-157.8-85.3-54.3000118.5S168S168-H170 PolarHBondContact O-N 2.94Å
171L47.3Very low58.7Low120 Ų12093.6 Ų93.663%0.62851%0.509SS*.SBendtrans-130.93.4172.8-77.7179.9000117.8
172L44.3Very low57.5Low72 Ų7293.4 Ų93.438%0.37752%0.516SS..  trans-136.966.5-166.4-57.9163.2000113.2F175L172-F175 WeakPolarHBondContact CD1-O 3.24Å; L172-F175 HydrophobicContact CD2-CB 3.38Å; L172-F175 WeakPolarHBondContact CD2-O 3.5Å; L172-F175 WeakPolarHBondContact CG-O 3.38Å
173Q47.7Very low56.9Low203 Ų20393.5 Ų93.595%0.94952%0.516SS*.SBendtrans-73.5-13.8146.8-77-173.62.400111.3
174T51.7Low56.6Low108 Ų10893.2 Ų93.266%0.66351%0.514SS*.SBendtrans-122.6-12.8-173.543.90000116.6
175F46.8Very low56.7Low117 Ų11792 Ų9251%0.51351%0.506SS..  trans-153.268179.7-74.7-80.2000115.6L172 E177 Q178L172-F175 WeakPolarHBondContact CD1-O 3.24Å; L172-F175 HydrophobicContact CD2-CB 3.38Å; L172-F175 WeakPolarHBondContact CD2-O 3.5Å; L172-F175 WeakPolarHBondContact CG-O 3.38Å; F175-E177 PolarHBondContact O-N 2.96Å; F175-Q178 VanDerWaalsContact CD1-NE2 3.33Å
176P49.4Very low57.2Low114 Ų11491.7 Ų91.774%0.7450%0.504SS*.THydrogen-bonded Turntrans-54.64.6-171.520.8-32.5000119.4
177E48.8Very low58.1Low177 Ų17792.1 Ų92.183%0.82750%0.501SS*.THydrogen-bonded Turntrans-116.61.6-171.2-61-157.4135.600116.7F175F175-E177 PolarHBondContact O-N 2.96Å
178Q51.5Low59.1Low97 Ų9790.1 Ų90.145%0.45349%0.488SS..SBendtrans-109.6-1.7-158.7-73.9167.517.500119.1F175 H314F175-Q178 VanDerWaalsContact CD1-NE2 3.33Å; Q178-H314 WeakPolarHBondContact O-CB 3.16Å
179C51.4Low60.1Low37 Ų3788 Ų8825%0.2547%0.473CS..  trans-149.176.7172.1-78.60000111.6C130 C181C130-C179 HydrophobicContact CB-CB 4.26Å; C130-C179 WeakPolarHBondContact CB-SG 3.35Å; C130-C179 WeakPolarHBondContact SG-CB 3.08Å; C130-C179 CovalentContact SG-SG 2.1Å; C130-C179 PolarHBondContact SG-SG 3.22Å; C179-C181 PolarHBondContact O-N 2.87Å
180P54.5Low61.6Low96 Ų9687.3 Ų87.362%0.62346%0.463SS*.  trans-68.883.116029.2-29.9000107.9E182P180-E182 PolarHBondContact O-N 2.84Å
181C57.6Low63.2Low7 Ų783.6 Ų83.65%0.04745%0.452CS..  trans-8068.3175.149.60000109.5C132 C179 A183C132-C181 HydrophobicContact CB-CB 3.91Å; C132-C181 WeakPolarHBondContact SG-CB 3.09Å; C179-C181 PolarHBondContact O-N 2.87Å; C181-A183 PolarHBondContact O-N 3.29Å
182E62.1Low64.8Low167 Ų16778.1 Ų78.178%0.7843%0.425SS*.  trans-75.1107.8169.4-72.6-175.8164.300108.5P180P180-E182 PolarHBondContact O-N 2.84Å
183A66.5Low66.7Low3 Ų380.8 Ų80.83%0.02544%0.435CS..PPolyproline II helixtrans-81.2140.1171.700000109.3N133 P164 A165 C181N133-A183 WeakPolarHBondContact O-CB 3.33Å; P164-A183 WeakPolarHBondContact CB-O 3.19Å; A165-A183 HydrophobicContact CB-CB 3.53Å; C181-A183 PolarHBondContact O-N 3.29Å
184P73.5Confident68.4Low66 Ų6677.8 Ų77.843%0.42942%0.415SS..PPolyproline II helixtrans-56.2143.3174.823.9-32.6000109.9
185P78.1Confident69.7Low48 Ų4872.8 Ų72.831%0.31239%0.385SS..PPolyproline II helixtrans-57.9150.3175.8-1222.4000110.8R161 G162 P164R161-P185 HydrophobicContact CG-CB 4.02Å; G162-P185 WeakPolarHBondContact O-CB 3.35Å; P164-P185 HydrophobicContact CB-CG 4.26Å
186G78.9Confident71.4Confident0 Ų071.5 Ų71.50%039%0.387CS..PPolyproline II helixtrans-66.8158.3175.900000112.2L136 R161 G162 A305L136-G186 WeakPolarHBondContact O-CA 3.35Å; L136-G186 PolarHBondContact O-N 2.88Å; R161-G186 WeakPolarHBondContact CG-O 3.25Å; G162-G186 PolarHBondContact N-O 3.38Å; G162-G186 VanDerWaalsContact N-O 3.17Å; G162-G186 PolarHBondContact O-N 3.4Å; G186-A305 WeakPolarHBondContact CA-O 3.29Å
187D84.4Confident73Confident97 Ų9770.2 Ų70.252%0.51937%0.373SS..PPolyproline II helixtrans-63.4151.7179.9-71.1-31.8000110.8G138 A305G138-D187 WeakPolarHBondContact CA-O 3.44Å; G138-D187 PolarHBondContact N-O 3.39Å; G138-D187 VanDerWaalsContact N-O 3.12Å; D187-A305 HydrophobicContact CB-CB 4.32Å; D187-A305 PolarHBondContact N-O 3.31Å
188P84.5Confident74.2Confident55 Ų5562 Ų6236%0.35734%0.336SS..PPolyproline II helixtrans-52.3147168.3-25.836.2000112.1G159 R161 G304G159-P188 WeakPolarHBondContact O-CB 3.39Å; R161-P188 HydrophobicContact CB-CG 4.37Å; P188-G304 WeakPolarHBondContact O-CA 3.21Å
189G79.8Confident75.4Confident3 Ų360.7 Ų60.73%0.03134%0.336CS..PPolyproline II helixtrans-63.5152.2169.300000111.9P139 G159 D302P139-G189 WeakPolarHBondContact O-CA 3.37Å; G159-G189 PolarHBondContact N-O 3.45Å; G189-D302 WeakPolarHBondContact CA-O 3.34Å
190L84.5Confident76.5Confident101 Ų10163.8 Ų63.853%0.52936%0.356SS..PPolyproline II helixtrans-63.8148.4173.9-66.3-176.1000109.9G141 G301 D302G141-L190 VanDerWaalsContact CA-O 3.24Å; G141-L190 WeakPolarHBondContact CA-O 3.36Å; G141-L190 PolarHBondContact N-O 2.88Å; G141-L190 VanDerWaalsContact N-O 3.08Å; L190-G301 WeakPolarHBondContact O-CA 3.48Å; L190-D302 HydrophobicContact CD1-CB 4.2Å; L190-D302 PolarHBondContact N-O 3.3Å
191P84.1Confident77.5Confident67 Ų6760.8 Ų60.844%0.43534%0.342SS..PPolyproline II helixtrans-57145.9171.7-18.630000111.3G156 P158G156-P191 WeakPolarHBondContact O-CB 3.11Å; P158-P191 HydrophobicContact CB-CG 4.13Å; P158-P191 HydrophobicContact CG-CG 3.95Å
192G79.9Confident78.5Confident6 Ų666.3 Ų66.36%0.06237%0.371CS..PPolyproline II helixtrans-64.4157.7170.100000112.3Q142 G156 D299Q142-G192 WeakPolarHBondContact O-CA 3.27Å; Q142-G192 PolarHBondContact O-N 3.16Å; G156-G192 WeakPolarHBondContact CA-O 3.27Å; G156-G192 PolarHBondContact N-O 2.62Å; G156-G192 VanDerWaalsContact N-O 3.15Å; G192-D299 CarbonylContact C-O 3.6Å; G192-D299 WeakPolarHBondContact CA-O 3.24Å
193E84.1Confident79.3Confident127 Ų12766.8 Ų66.859%0.59338%0.375SS*.PPolyproline II helixtrans-63.3153.4175.9-65.6-158.9140.300110.7G144 D299G144-E193 VanDerWaalsContact CA-O 3.23Å; G144-E193 WeakPolarHBondContact CA-O 3Å; G144-E193 PolarHBondContact N-O 2.96Å; E193-D299 PolarHBondContact N-O 3.22Å
194R84.1Confident79.8Confident141 Ų14168 Ų6853%0.53239%0.388SS..PPolyproline II helixtrans-63139.9174.4-176.3-167.3-74.3-108.93.8109.7G153G153-R194 WeakPolarHBondContact O-CD 3.28Å; G153-R194 VanDerWaalsContact O-CG 3.24Å; G153-R194 WeakPolarHBondContact O-CG 3.37Å; G153-R194 PolarHBondContact O-NH1 2.91Å
195G78.9Confident80.2Confident2 Ų270.7 Ų70.72%0.02140%0.399CS..PPolyproline II helixtrans-59.8146.9170.100000112.2L154 M296L154-G195 PolarHBondContact O-N 3.5Å; G195-M296 CarbonylContact C-O 3.52Å; G195-M296 WeakPolarHBondContact CA-O 3.29Å
196V82.8Confident80.4Confident91 Ų9174 Ų7455%0.55242%0.42SS*.PPolyproline II helixtrans-70.2141.2175.6-178.10000109G147 G295 M296G147-V196 PolarHBondContact N-O 2.69Å; G147-V196 VanDerWaalsContact N-O 3.16Å; V196-G295 WeakPolarHBondContact O-CA 3.49Å; V196-M296 HydrophobicContact CB-CB 4.44Å; V196-M296 PolarHBondContact N-O 2.88Å
197D83.4Confident80.3Confident86 Ų8675.9 Ų75.946%0.4644%0.439SS..PPolyproline II helixtrans-65.9135.1178.6-62.6-9.5000110.5P152 G153P152-D197 WeakPolarHBondContact CA-OD1 3.49Å; P152-D197 WeakPolarHBondContact CB-OD1 3.35Å; G153-D197 PolarHBondContact N-OD1 3.3Å
198G73.3Confident80.2Confident4 Ų478.4 Ų78.44%0.04145%0.446CS..PPolyproline II helixtrans-71.2146.1170.100000110.5M293G198-M293 WeakPolarHBondContact CA-O 3.28Å
199P76.5Confident80Confident71 Ų7183.3 Ų83.346%0.46147%0.469SS..PPolyproline II helixtrans-57.2146.5173.625.6-34.8000110.8M293P199-M293 WeakPolarHBondContact CD-O 3.28Å; P199-M293 HydrophobicContact CG-CB 4.19Å
200P75.5Confident79.6Confident102 Ų10285.1 Ų85.166%0.66249%0.487SS*.PPolyproline II helixtrans-54.5146.9170.5-23.733.8000111
201G74.7Confident79.3Confident32 Ų3288.4 Ų88.433%0.3350%0.498SS..PPolyproline II helixtrans-61.1156.7172.100000112.1A290G201-A290 CarbonylContact C-O 3.58Å; G201-A290 WeakPolarHBondContact CA-O 3.48Å
202D79Confident78.9Confident123 Ų12392.8 Ų92.866%0.65852%0.517SS*.PPolyproline II helixtrans-65.5145.3176.7-71.3-33.9000110.2G289 A290D202-G289 WeakPolarHBondContact O-CA 3.36Å; D202-A290 HydrophobicContact CB-CB 4.39Å; D202-A290 PolarHBondContact N-O 3.24Å
203M78.4Confident78.3Confident177 Ų17794.3 Ų94.387%0.87253%0.533SS*.PPolyproline II helixtrans-65138.3173.6-174.417257.500110.1
204G77.1Confident77.7Confident29 Ų2994.9 Ų94.930%0.29954%0.54SS..PPolyproline II helixtrans-58.6151.2174.900000112.4M287G204-M287 VanDerWaalsContact CA-O 3.26Å; G204-M287 WeakPolarHBondContact CA-O 3.31Å
205L82.5Confident77Confident123 Ų12397.3 Ų97.364%0.64456%0.557SS**PPolyproline II helixtrans-71.7139.3176.3-67.2175000109.9G286 M287L205-G286 WeakPolarHBondContact O-CA 3.45Å; L205-M287 PolarHBondContact N-O 2.93Å
206P81Confident76.1Confident118 Ų11898 Ų9877%0.76656%0.564SS**PPolyproline II helixtrans-53.8147.8171.8-24.834000111.8
207G77.4Confident75.5Confident39 Ų3999.1 Ų99.140%0.40257%0.573SS.*PPolyproline II helixtrans-60.4156.8170.700000111.2E284G207-E284 WeakPolarHBondContact CA-O 3.47Å
208K82.3Confident74.8Confident150 Ų150105.3 Ų105.365%0.65259%0.591SS**PPolyproline II helixtrans-74.4145.1172.4-65.4174.5-173.9159.40108.9G283 E284K208-G283 VanDerWaalsContact O-CA 3.28Å; K208-G283 WeakPolarHBondContact O-CA 3.32Å; K208-E284 PolarHBondContact N-O 3.01Å; K208-E284 IonicContact NZ-OE2 2.69Å
209D79.8Confident74.2Confident157 Ų157106 Ų10684%0.8460%0.597SS**PPolyproline II helixtrans-59.6148.6172.2-65.5-35.1000110.8
210G73.4Confident73.6Confident41 Ų41108.2 Ų108.242%0.42361%0.612SS.*PPolyproline II helixtrans-62.3151.6172.500000110.9
211K77.5Confident73.2Confident171 Ų171109.6 Ų109.674%0.74361%0.613SS**PPolyproline II helixtrans-71.4143.1173.6-66.8-179.9178177.10109.6G280K211-G280 WeakPolarHBondContact O-CA 3.44Å
212D75.8Confident72.1Confident159 Ų159110 Ų11085%0.8562%0.618SS**PPolyproline II helixtrans-57.4145.5169.4-69.1-30.3000110.3
213G66.1Low71.3Confident38 Ų38108.2 Ų108.239%0.39262%0.62SS.*PPolyproline II helixtrans-67.2145.9175.800000111.6P278G213-P278 WeakPolarHBondContact CA-O 3.41Å
214D72.5Confident70.4Confident138 Ų138105.8 Ų105.874%0.73862%0.618SS**PPolyproline II helixtrans-62.8148177-67.5-40.5000111.2G216 G277D214-G216 PolarHBondContact O-N 3.25Å; D214-G277 VanDerWaalsContact O-CA 3.23Å; D214-G277 WeakPolarHBondContact O-CA 3.22Å; D214-G277 PolarHBondContact O-N 2.86Å
215Q69.6Low69.1Low192 Ų192106.9 Ų106.990%0.89763%0.629SS**PPolyproline II helixtrans-65.1131.7171.8-171.81760.100109.7
216G60.4Low67.9Low16 Ų16108.8 Ų108.817%0.16564%0.638CS.*PPolyproline II helixtrans-62.3158.4178.500000112.9D214 L275D214-G216 PolarHBondContact O-N 3.25Å; G216-L275 WeakPolarHBondContact CA-O 3.35Å
217P69.4Low66.7Low115 Ų115107.5 Ų107.575%0.74764%0.637SS**PPolyproline II helixtrans-63.3148.9-178.727.1-34.6000111.9G219 G274P217-G219 PolarHBondContact O-N 2.91Å; P217-G274 WeakPolarHBondContact O-CA 3.36Å
218R69.6Low65.3Low217 Ų217108.3 Ų108.382%0.81965%0.646SS**PPolyproline II helixtrans-57.7134.4171.4-177.6179.9167.7173.1-6.1109.7D221R218-D221 IonicContact NH2-OD1 3.5Å
219G59.5Low64Low18 Ų18109.4 Ų109.419%0.18666%0.658CS.*PPolyproline II helixtrans-59.8157.3174.900000112.6P217P217-G219 PolarHBondContact O-N 2.91Å
220P65Low62.8Low117 Ų117111.3 Ų111.376%0.7666%0.662SS**PPolyproline II helixtrans-62.8150.4179.127.4-34.6000111.7
221D66.7Low61.6Low131 Ų131112 Ų11270%0.70167%0.669SS**PPolyproline II helixtrans-61.5145.3174-69.7-28.9000111.1R218R218-D221 IonicContact NH2-OD1 3.5Å
222G52.4Low60.8Low41 Ų41110.1 Ų110.142%0.42367%0.674SS.*PPolyproline II helixtrans-61.3147.1177.900000112.5
223A60.2Low59.9Low85 Ų85112.4 Ų112.470%0.70268%0.677SS**PPolyproline II helixtrans-61.4145.6179.100000112
224P60.9Low59.1Low127 Ų127113.7 Ų113.783%0.82569%0.69SS**PPolyproline II helixtrans-56.8141.3174.6-2433.4000112.3
225G50.2Low58.3Low51 Ų51111.7 Ų111.753%0.52669%0.692SS.*PPolyproline II helixtrans-60.4146.617600000112.5
226I57.4Low57.9Low163 Ų163108.7 Ų108.784%0.83669%0.689SS**PPolyproline II helixtrans-68.8134.3179.3-43.6173.4000109.2G228I226-G228 PolarHBondContact O-N 3.46Å
227A55.1Low57.3Low91 Ų91111.2 Ų111.275%0.75272%0.716SS**PPolyproline II helixtrans-61.6135.6175.800000111.2
228G47.6Very low56.7Low57 Ų57112.5 Ų112.559%0.58872%0.721SS**PPolyproline II helixtrans-63.5142176.900000112.3I226I226-G228 PolarHBondContact O-N 3.46Å
229L55.9Low56.1Low172 Ų172107.8 Ų107.890%0.90172%0.719SS**PPolyproline II helixtrans-65.2140.8176.8-67.9168.5000111.2G231L229-G231 PolarHBondContact O-N 3.33Å
230Q53.9Low55.7Low197 Ų197110.5 Ų110.592%0.92175%0.746SS**PPolyproline II helixtrans-63.6129.3174.4-174.4173.958.500110.2
231G48.9Very low55.1Low56 Ų56114.9 Ų114.958%0.57775%0.754SS**PPolyproline II helixtrans-64.6155.7177.200000112.9L229L229-G231 PolarHBondContact O-N 3.33Å
232P59.6Low54.2Low132 Ų132118 Ų11886%0.85776%0.764SS**PPolyproline II helixtrans-63.7146.6-178.626.3-34000112.3G234P232-G234 PolarHBondContact O-N 3.13Å
233K57.2Low53.9Low207 Ų207122.5 Ų122.590%0.978%0.783SS**PPolyproline II helixtrans-61.4131.7174.5-175.5176.9179.6177.70110.1
234G49.9Very low53.1Low65 Ų65123.8 Ų123.867%0.6779%0.787SS**PPolyproline II helixtrans-59.6146.9176.600000112.8P232P232-G234 PolarHBondContact O-N 3.13Å
235A56.1Low52.5Low95 Ų95127.5 Ų127.579%0.78579%0.79SS**PPolyproline II helixtrans-65.4145.8179.600000112.1
236P59.6Low52.2Low129 Ų129135.2 Ų135.284%0.83881%0.812SS**PPolyproline II helixtrans-59.1140.2173.4-22.433.2000112.4
237G48.4Very low51.9Low70 Ų70130 Ų13072%0.72280%0.799SS**PPolyproline II helixtrans-65.3147.9174.300000112.5
238V57.1Low51.8Low141 Ų141131.6 Ų131.686%0.85580%0.801SS**PPolyproline II helixtrans-73.1129.2-176.5-164.40000110.5G240V238-G240 PolarHBondContact O-N 2.79Å
239P57.8Low52.2Low119 Ų119135 Ų13577%0.77381%0.813SS**PPolyproline II helixtrans-64.7129.5174.4-21.132.6000112.1
240G51Low52.1Low74 Ų74129.7 Ų129.776%0.76380%0.801SS**PPolyproline II helixtrans-68.7133.7176.300000112.6V238V238-G240 PolarHBondContact O-N 2.79Å
241K51.7Low52.2Low210 Ų210126 Ų12691%0.91379%0.794SS**PPolyproline II helixtrans-64127.9178.8-78.3-179.3173.5-175.40111.9
242Q46.7Very low52.8Low197 Ų197129.3 Ų129.392%0.92181%0.805SS**PPolyproline II helixtrans-70.2125.3171.8-74.7170.9-56.600111.3
243V46.3Very low52.6Low134 Ų134126 Ų12681%0.81280%0.795SS**  trans-131.6131.3157.9-1760000108.8K245V243-K245 PolarHBondContact O-N 3.15Å
244S44.7Very low52.5Low113 Ų113122.3 Ų122.379%0.7979%0.792SS**SBendtrans-63.4106.7-169.449.10000114.7
245K48.5Very low52.8Low205 Ų205124 Ų12489%0.89180%0.799SS**SBendtrans-171.8125.6135.4-103.7172.6-177.2-178.40107.5V243 G247V243-K245 PolarHBondContact O-N 3.15Å; K245-G247 PolarHBondContact O-N 3.06Å; K245-G247 VanDerWaalsContact O-N 3.11Å
246Q42.2Very low52.6Low212 Ų212122.9 Ų122.999%0.99180%0.797SS**  trans-49.2110.6-172.4-114.5169.1-12.200112.5
247G51.7Low52.1Low55 Ų55121.2 Ų121.257%0.56780%0.795SS**  trans-125156.1158.500000108.4K245K245-G247 PolarHBondContact O-N 3.06Å; K245-G247 VanDerWaalsContact O-N 3.11Å
248P53.2Low52.5Low123 Ų123123.7 Ų123.780%0.79980%0.798SS**PPolyproline II helixtrans-55.9150.3-178.923.8-33000111.2G250P248-G250 PolarHBondContact O-N 3.41Å
249P56.5Low52.1Low128 Ų128120.3 Ų120.383%0.83179%0.792SS**PPolyproline II helixtrans-49.1130.1176.3-25.933.6000110.7
250G54.2Low51.9Low62 Ų62124.3 Ų124.364%0.63980%0.797SS**PPolyproline II helixtrans-57.4146.6172.700000110P248P248-G250 PolarHBondContact O-N 3.41Å
251P55.2Low52.2Low120 Ų120126.7 Ų126.778%0.77980%0.799SS**PPolyproline II helixtrans-56.9150.4177.324.5-33.2000110.5G253P251-G253 PolarHBondContact O-N 3.46Å
252P62.1Low52.1Low124 Ų124119.8 Ų119.881%0.80579%0.788SS**PPolyproline II helixtrans-48.4137.7172.3-26.334000110.8
253G54.1Low52.5Low64 Ų64116.7 Ų116.766%0.6678%0.783SS**PPolyproline II helixtrans-54.9148.3173.500000110.5P251 A255P251-G253 PolarHBondContact O-N 3.46Å; G253-A255 PolarHBondContact O-N 3.31Å
254P55.2Low52.9Low129 Ų129118.7 Ų118.784%0.83879%0.785SS**PPolyproline II helixtrans-56.9142.6179.724.2-33000110.3G256P254-G256 PolarHBondContact O-N 3.35Å
255A57.3Low53.1Low99 Ų99115.3 Ų115.382%0.81877%0.768SS**PPolyproline II helixtrans-54.4136.4171.900000109.5G253 A257G253-A255 PolarHBondContact O-N 3.31Å; A255-A257 PolarHBondContact O-N 3.06Å
256G50.8Low53.6Low72 Ų72114.1 Ų114.174%0.74277%0.765SS**PPolyproline II helixtrans-55.3138.7173.800000110.1P254P254-G256 PolarHBondContact O-N 3.35Å
257A50.5Low54.5Low94 Ų94109.7 Ų109.778%0.77776%0.755SS**PPolyproline II helixtrans-56.1136.7178.100000110.1A255 G259A255-A257 PolarHBondContact O-N 3.06Å; A257-G259 PolarHBondContact O-N 3.27Å
258P55.3Low54.6Low122 Ų122109.1 Ų109.179%0.79275%0.749SS**PPolyproline II helixtrans-51.5140.2171.5-25.433.8000110.4K260P258-K260 PolarHBondContact O-N 3.4Å
259G49.6Very low55Low71 Ų71108.2 Ų108.273%0.73275%0.746SS**PPolyproline II helixtrans-54141.8172.200000110.1A257A257-G259 PolarHBondContact O-N 3.27Å
260K54Low55.4Low202 Ų202109.7 Ų109.788%0.87875%0.747SS**PPolyproline II helixtrans-58137.6175.1-68.5-175177.5-177.10108.9P258 G262P258-K260 PolarHBondContact O-N 3.4Å; K260-G262 PolarHBondContact O-N 3.48Å
261P55.6Low55.5Low125 Ų125108.7 Ų108.781%0.81274%0.737SS**PPolyproline II helixtrans-50.5140.2171-25.133.6000110.2
262G50.5Low56Low65 Ų65112 Ų11267%0.6774%0.739SS**PPolyproline II helixtrans-55.5146.7171.900000110.3K260 M264K260-G262 PolarHBondContact O-N 3.48Å; G262-M264 PolarHBondContact O-N 3.43Å
263T55.3Low56.3Low132 Ų132113.8 Ų113.881%0.8174%0.742SS**PPolyproline II helixtrans-61.9136174.148.90000109.7G265T263-G265 PolarHBondContact O-N 3.1Å
264M53.7Low56.6Low176 Ų176112.4 Ų112.487%0.86773%0.727SS**PPolyproline II helixtrans-53.6130.4171-173.7168.670.100108.9G262G262-M264 PolarHBondContact O-N 3.43Å
265G50.4Low57.3Low41 Ų41113.3 Ų113.342%0.42372%0.724SS.*PPolyproline II helixtrans-57.5147.317400000110.3T263T263-G265 PolarHBondContact O-N 3.1Å
266Q57.8Low57.9Low180 Ų180114.4 Ų114.484%0.84172%0.723SS**PPolyproline II helixtrans-61.6143.6174.8-68-174.83.600109.8G268Q266-G268 PolarHBondContact O-N 2.98Å
267P60.9Low58.7Low119 Ų119111.9 Ų111.977%0.77370%0.697SS**PPolyproline II helixtrans-51141.4169.4-24.433.8000110.3
268G53.9Low60Low44 Ų44112.7 Ų112.745%0.45469%0.694SS.*PPolyproline II helixtrans-57148170.900000110.1Q266Q266-G268 PolarHBondContact O-N 2.98Å
269S61.2Low61.1Low103 Ų103114.6 Ų114.672%0.7270%0.698SS**PPolyproline II helixtrans-58.9143.8173.153.50000110.6G271S269-G271 PolarHBondContact O-N 3.3Å
270D65.4Low62.3Low159 Ų159112.4 Ų112.485%0.8568%0.675SS**PPolyproline II helixtrans-50.7137.2171.7-67.1-33.6000110.1K272D270-K272 PolarHBondContact O-N 3.05Å
271G56.2Low63.6Low42 Ų42107.1 Ų107.143%0.43366%0.662SS.*PPolyproline II helixtrans-57.4140.4174.500000109.8S269S269-G271 PolarHBondContact O-N 3.3Å
272K65.9Low64.8Low190 Ų190107 Ų10783%0.82666%0.661SS**PPolyproline II helixtrans-58.7145.6175.4-63.9-178.5178.7177.90109.8D270 G274D270-K272 PolarHBondContact O-N 3.05Å; K272-G274 PolarHBondContact O-N 3.46Å
273D68.9Low66.1Low161 Ų161105.4 Ų105.486%0.86165%0.645SS**PPolyproline II helixtrans-50.2136.1170.4-69.1-31.6000109.8
274G60.1Low67.5Low34 Ų34105.5 Ų105.535%0.35164%0.636SS.*PPolyproline II helixtrans-57.2145.2174.100000110.2P217 K272P217-G274 WeakPolarHBondContact O-CA 3.36Å; K272-G274 PolarHBondContact O-N 3.46Å
275L69Low68.9Low148 Ų148103 Ų10378%0.77563%0.633SS**PPolyproline II helixtrans-58146.4173.3-65.1174000109.6G216 G277G216-L275 WeakPolarHBondContact CA-O 3.35Å; L275-G277 PolarHBondContact O-N 3.4Å
276P70.3Confident70.2Confident122 Ų122102.8 Ų102.879%0.79263%0.63SS**PPolyproline II helixtrans-49.2135.8169.2-25.234000109.8
277G68.3Low71.4Confident20 Ų20100.8 Ų100.821%0.20662%0.622CS.*PPolyproline II helixtrans-64.6170.1176.200000111.5D214 L275D214-G277 VanDerWaalsContact O-CA 3.23Å; D214-G277 WeakPolarHBondContact O-CA 3.22Å; D214-G277 PolarHBondContact O-N 2.86Å; L275-G277 PolarHBondContact O-N 3.4Å
278P77Confident72.4Confident110 Ų110101 Ų10171%0.71462%0.624SS**PPolyproline II helixtrans-59.4147.3176.627.5-34.1000110.5G213 G280G213-P278 WeakPolarHBondContact CA-O 3.41Å; P278-G280 PolarHBondContact O-N 2.8Å
279N78.5Confident73.5Confident162 Ų162100.6 Ų100.687%0.86662%0.62SS**PPolyproline II helixtrans-52.7138.2170.1-72.6-9.8000109.6
280G74.9Confident74.4Confident25 Ų2598.5 Ų98.526%0.25861%0.609SS.*PPolyproline II helixtrans-61.4163.6174.200000112K211 P278K211-G280 WeakPolarHBondContact O-CA 3.44Å; P278-G280 PolarHBondContact O-N 2.8Å
281P81.3Confident75Confident92 Ų9296.2 Ų96.260%0.59760%0.6SS**PPolyproline II helixtrans-60.9147.8179.226.7-34.2000111
282P80.9Confident75.9Confident123 Ų12394.7 Ų94.780%0.79959%0.585SS**PPolyproline II helixtrans-52.6146171.1-24.233.6000111.4
283G77.8Confident76.4Confident31 Ų3192.7 Ų92.732%0.3258%0.58SS.*PPolyproline II helixtrans-59.4156.1175.300000112.9K208K208-G283 VanDerWaalsContact O-CA 3.28Å; K208-G283 WeakPolarHBondContact O-CA 3.32Å
284E84.6Confident76.9Confident133 Ų13389.3 Ų89.362%0.62157%0.569SS**PPolyproline II helixtrans-65.8138.3175-65.3-175.9133.200110.3G207 K208G207-E284 WeakPolarHBondContact CA-O 3.47Å; K208-E284 PolarHBondContact N-O 3.01Å; K208-E284 IonicContact NZ-OE2 2.69Å
285P83Confident77.8Confident124 Ų12488.5 Ų88.581%0.80556%0.561SS**PPolyproline II helixtrans-53.8146172.8-25.134000111.9
286G78.6Confident78.4Confident36 Ų3688 Ų8837%0.37156%0.556SS.*PPolyproline II helixtrans-59.9155.6174.900000112.6L205L205-G286 WeakPolarHBondContact O-CA 3.45Å
287M83.7Confident79Confident138 Ų13886.4 Ų86.468%0.6855%0.546SS*.PPolyproline II helixtrans-74.6137.8173.8-67.2-174.472.300110G204 L205G204-M287 VanDerWaalsContact CA-O 3.26Å; G204-M287 WeakPolarHBondContact CA-O 3.31Å; L205-M287 PolarHBondContact N-O 2.93Å
288P82Confident79.6Confident124 Ų12486 Ų8681%0.80554%0.542SS*.PPolyproline II helixtrans-54.5148171.1-23.833.5000111.5
289G76.6Confident79.8Confident35 Ų3585.9 Ų85.936%0.36154%0.535SS..PPolyproline II helixtrans-61.9158.317400000112.8D202D202-G289 WeakPolarHBondContact O-CA 3.36Å
290A80.3Confident79.9Confident59 Ų5982 Ų8249%0.48852%0.519SS..PPolyproline II helixtrans-70.8137.2172.500000110.3G201 D202 G292G201-A290 CarbonylContact C-O 3.58Å; G201-A290 WeakPolarHBondContact CA-O 3.48Å; D202-A290 HydrophobicContact CB-CB 4.39Å; D202-A290 PolarHBondContact N-O 3.24Å; A290-G292 PolarHBondContact O-N 2.92Å
291T78Confident80.1Confident111 Ų11181.4 Ų81.468%0.68151%0.512SS*.PPolyproline II helixtrans-53128.7168.2-53.60000109.3D149D149-T291 VanDerWaalsContact CG-CG2 3.44Å; D149-T291 VanDerWaalsContact OD1-CA 3.29Å; D149-T291 WeakPolarHBondContact OD1-CA 3.4Å; D149-T291 WeakPolarHBondContact OD1-CG2 3.35Å; D149-T291 VanDerWaalsContact OD2-CG2 3.24Å; D149-T291 WeakPolarHBondContact OD2-CG2 3.15Å
292G73.4Confident80.1Confident10 Ų1082.1 Ų82.110%0.10351%0.511CS..PPolyproline II helixtrans-63.4149.2177.800000111.3D149 A290D149-G292 PolarHBondContact OD1-N 3.49Å; A290-G292 PolarHBondContact O-N 2.92Å
293M77.1Confident80Confident148 Ų14879.9 Ų79.973%0.72950%0.496SS*.PPolyproline II helixtrans-64.4144176.5-62.4-176.475.400110.2G198 P199G198-M293 WeakPolarHBondContact CA-O 3.28Å; P199-M293 WeakPolarHBondContact CD-O 3.28Å; P199-M293 HydrophobicContact CG-CB 4.19Å
294S78.8Confident80.2Confident91 Ų9178.9 Ų78.964%0.63649%0.487SS*.PPolyproline II helixtrans-62.8140.3169.4-54.70000110.1G147G147-S294 CarbonylContact O-C 3.53Å; G147-S294 WeakPolarHBondContact O-CA 3.24Å
295G79.9Confident80.1Confident16 Ų1674.8 Ų74.817%0.16548%0.476CS..  trans-68.8-169171.200000112.2A146 G147 V196A146-G295 VanDerWaalsContact CB-C 3.46Å; A146-G295 WeakPolarHBondContact CB-O 3.41Å; G147-G295 PolarHBondContact O-N 3.44Å; V196-G295 WeakPolarHBondContact O-CA 3.49Å
296M82.4Confident79.8Confident137 Ų13772.6 Ų72.668%0.67546%0.461SS*.  trans-95.6141.1177.3-64.5-178.369.800110.5G195 V196G195-M296 CarbonylContact C-O 3.52Å; G195-M296 WeakPolarHBondContact CA-O 3.29Å; V196-M296 HydrophobicContact CB-CB 4.44Å; V196-M296 PolarHBondContact N-O 2.88Å
297P81.6Confident79.6Confident90 Ų9071.2 Ų71.258%0.58445%0.447SS*.  trans-55.4151.8167.2-2233.3000110.5G144G144-P297 WeakPolarHBondContact O-CA 3.36Å
298G81.3Confident79.1Confident12 Ų1266.6 Ų66.612%0.12444%0.435CS..  trans-67.9179.7174.400000111.7P143 G144P143-G298 WeakPolarHBondContact CB-O 3.26Å; G144-G298 PolarHBondContact O-N 2.85Å
299D81.4Confident78.4Confident106 Ų10663.3 Ų63.357%0.56742%0.418SS*.PPolyproline II helixtrans-84.5149.6169.9-77-36.4000111.3G192 E193G192-D299 CarbonylContact C-O 3.6Å; G192-D299 WeakPolarHBondContact CA-O 3.24Å; E193-D299 PolarHBondContact N-O 3.22Å
300P79.6Confident77.8Confident82 Ų8262 Ų6253%0.53240%0.404SS..PPolyproline II helixtrans-58.4148.8171.7-15.926000111.4P143P143-P300 HydrophobicContact CG-CB 4.23Å; P143-P300 HydrophobicContact CG-CG 3.93Å
301G80.1Confident76.7Confident11 Ų1166.2 Ų66.211%0.11342%0.419CS..PPolyproline II helixtrans-71.5171.6177.800000112.8P140 G141 L190P140-G301 WeakPolarHBondContact CB-O 3.08Å; G141-G301 PolarHBondContact O-N 2.92Å; L190-G301 WeakPolarHBondContact O-CA 3.48Å
302D81.4Confident75.7Confident108 Ų10863 Ų6358%0.57840%0.4SS*.PPolyproline II helixtrans-76.3148.4173.1-72.4-42.6000111.8G189 L190G189-D302 WeakPolarHBondContact CA-O 3.34Å; L190-D302 HydrophobicContact CD1-CB 4.2Å; L190-D302 PolarHBondContact N-O 3.3Å
303P79.5Confident74.9Confident75 Ų7567.1 Ų67.149%0.48743%0.428SS..PPolyproline II helixtrans-57150.2169.1-18.629.1000111.9G138 P140G138-P303 WeakPolarHBondContact O-CA 3.42Å; P140-P303 HydrophobicContact CG-CB 4.47Å; P140-P303 HydrophobicContact CG-CG 3.86Å
304G81.5Confident73.8Confident11 Ų1165.9 Ų65.911%0.11342%0.42CS..PPolyproline II helixtrans-68.1170.7178.400000113.1P137 G138 P188P137-G304 VanDerWaalsContact CB-O 3.29Å; P137-G304 WeakPolarHBondContact CB-O 3.16Å; G138-G304 PolarHBondContact O-N 3.41Å; P188-G304 WeakPolarHBondContact O-CA 3.21Å
305A81.4Confident72.5Confident47 Ų4764.1 Ų64.139%0.38841%0.407SS..PPolyproline II helixtrans-70.7144.5172.100000110.8G186 D187G186-A305 WeakPolarHBondContact CA-O 3.29Å; D187-A305 HydrophobicContact CB-CB 4.32Å; D187-A305 PolarHBondContact N-O 3.31Å
306P76.5Confident71Confident77 Ų7768.1 Ų68.150%0.543%0.43SS..PPolyproline II helixtrans-57.1145.8169.2-1827.6000111P137P137-P306 HydrophobicContact CG-CB 4.2Å; P137-P306 HydrophobicContact CG-CG 3.85Å
307G75Confident69.2Low7 Ų767.2 Ų67.27%0.07243%0.434CS..PPolyproline II helixtrans-61.1157.4176.200000112.1R134 G135R134-G307 WeakPolarHBondContact CB-O 3.46Å; R134-G307 WeakPolarHBondContact CD-O 3.42Å; R134-G307 WeakPolarHBondContact CG-O 3.26Å; G135-G307 PolarHBondContact O-N 3.16Å
308G73.6Confident67.3Low41 Ų4167.4 Ų67.442%0.42344%0.444SS..PPolyproline II helixtrans-54159.6170.900000112.3
309A67.1Low65.4Low55 Ų5578.3 Ų78.346%0.45548%0.481SS..BIsolated β-bridgetrans-66.2136.7167.400000108.4R134R134-A309 HydrophobicContact CG-CB 4.36Å
310G63Low63.3Low7 Ų781.1 Ų81.17%0.07250%0.495CS..PPolyproline II helixtrans-59.7141.6173.600000111.3C132 C312C132-G310 WeakPolarHBondContact CB-O 3.35Å; C132-G310 PolarHBondContact SG-O 2.79Å; G310-C312 PolarHBondContact O-N 3.38Å
311D57.9Low61.2Low149 Ų14981.6 Ų81.680%0.79751%0.506SS*.  trans-78.7109.8175.2-84.1-27.6000109.5S313D311-S313 VanDerWaalsContact C-N 3.34Å; D311-S313 PolarHBondContact O-N 3.5Å
312C57.7Low58.9Low42 Ų4286.8 Ų86.828%0.28454%0.537SS..  trans-80.682.7176.8-84.70000108.8C130 C132 G310 H314C130-C312 HydrophobicContact CB-CB 4.41Å; C130-C312 WeakPolarHBondContact CB-SG 3.42Å; C130-C312 PolarHBondContact O-SG 2.91Å; C132-C312 WeakPolarHBondContact CB-SG 3.26Å; C132-C312 WeakPolarHBondContact SG-CB 3.16Å; C132-C312 CovalentContact SG-SG 2.08Å; C132-C312 PolarHBondContact SG-SG 2.98Å; G310-C312 PolarHBondContact O-N 3.38Å; C312-H314 PolarHBondContact O-N 3.43Å
313S56Low56.6Low98 Ų9884.8 Ų84.869%0.68554%0.543SS*.THydrogen-bonded Turntrans-72.4-1.2-175.846.70000115.4D311D311-S313 VanDerWaalsContact C-N 3.34Å; D311-S313 PolarHBondContact O-N 3.5Å
314H54.5Low54.4Low121 Ų12196 Ų9656%0.5658%0.577SS**THydrogen-bonded Turntrans-128.949.7-175.7-73.684.8000112.7Q178 C312 P316Q178-H314 WeakPolarHBondContact O-CB 3.16Å; C312-H314 PolarHBondContact O-N 3.43Å; H314-P316 WeakPolarHBondContact O-CD 3.5Å
315C50.5Low53Low55 Ų55100.2 Ų100.237%0.37260%0.601SS.*  trans-86.7106.4166.4-152.40000108.9C129C129-C315 WeakPolarHBondContact CA-SG 3.48Å; C129-C315 HydrophobicContact CB-CB 4.19Å; C129-C315 WeakPolarHBondContact CB-SG 3.43Å; C129-C315 WeakPolarHBondContact SG-CB 3.3Å; C129-C315 CovalentContact SG-SG 2.04Å; C129-C315 PolarHBondContact SG-SG 3Å
316P48.9Very low51.5Low99 Ų99103 Ų10364%0.64361%0.612SS**  trans-60.6139.717125.5-31.9000108.3H314 A318H314-P316 WeakPolarHBondContact O-CD 3.5Å; P316-A318 PolarHBondContact O-N 3.39Å
317P44.7Very low50.1Low118 Ų118104.4 Ų104.477%0.76662%0.618SS**  trans-55.1131.1175.724-32.3000107.7R319P317-R319 PolarHBondContact O-N 3.47Å
318A41.5Very low48.7Very low95 Ų95110.2 Ų110.279%0.78565%0.65SS**  trans-48102.1179.100000109P316 L320P316-A318 PolarHBondContact O-N 3.39Å; A318-L320 PolarHBondContact O-N 3.43Å
319R41.5Very low47.1Very low241 Ų241114.5 Ų114.591%0.90966%0.664SS**  trans-66.898162.2-83.6-166.8-175.8-179.63.1104.3P317 A321P317-R319 PolarHBondContact O-N 3.47Å; R319-A321 VanDerWaalsContact C-N 3.26Å; R319-A321 PolarHBondContact O-N 2.75Å
320L37.6Very low45.8Very low164 Ų164118.5 Ų118.586%0.85968%0.678SS**  trans-41.799.6153.9-72.9155.6000106.3A318 P322A318-L320 PolarHBondContact O-N 3.43Å; L320-P322 VanDerWaalsContact O-CD 3.26Å; L320-P322 WeakPolarHBondContact O-CD 3.27Å
321A35Very low44.5Very low92 Ų92126.4 Ų126.476%0.7672%0.722SS**  trans-72.5115.8166.800000105.9R319R319-A321 VanDerWaalsContact C-N 3.26Å; R319-A321 PolarHBondContact O-N 2.75Å
322P33.2Very low43.5Very low120 Ų120124.7 Ų124.778%0.77972%0.716SS**  trans-68141.7163.56.211.2000107.3L320L320-P322 VanDerWaalsContact O-CD 3.26Å; L320-P322 WeakPolarHBondContact O-CD 3.27Å
323G32.8Very low42.3Very low67 Ų67131.6 Ų131.669%0.69175%0.752SS**  trans-50.9144.1-161.600000116.8
324Y31.9Very low41.1Very low309 Ų309134.6 Ų134.6100%1.21276%0.758SS**  trans-153.30147.6-90-76.3000108

Retrieved 324 of 324 residues in 212.5 ms (Link to these results)