YD008_YEAST Loading...

Putative uncharacterized protein YDR008C

AlphaFold DB , UniProt , Accession A0A023PZ99, Species YEAST (Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Baker's yeast), Gene n/a, Length 116 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
1M73.7Confident87Confident215 Ų215126.7 Ų126.7100%1.05961%0.609SS**  0-53.30-91.2179.6-171.200113.8R3 S4 F5M1-R3 PolarHBondContact O-N 3.34Å; M1-S4 PolarHBondContact O-N 2.88Å; M1-S4 VanDerWaalsContact O-N 3.14Å; M1-F5 PolarHBondContact O-N 2.86Å
2F85.8Confident87Confident145 Ų145120.2 Ų120.264%0.63659%0.591SS**Hα-helixtrans-54.2-42.4-172.5-169.7-103.4000115.3S4 F5 M6F2-S4 PolarHBondContact O-N 3.48Å; F2-F5 WeakPolarHBondContact O-CB 3.45Å; F2-F5 PolarHBondContact O-N 3.42Å; F2-M6 HydrophobicContact CD1-CG 4.17Å; F2-M6 HydrophobicContact CE1-CE 3.69Å; F2-M6 HydrophobicContact CE1-CG 3.85Å; F2-M6 HydrophobicContact CE2-CE 4.23Å; F2-M6 HydrophobicContact CZ-CE 3.35Å; F2-M6 HydrophobicContact CZ-CG 4.18Å; F2-M6 PolarHBondContact O-N 2.82Å
3R88.9Confident86.6Confident208 Ų208115.5 Ų115.579%0.78558%0.577SS**Hα-helixtrans-62-39.9179.4-168.2175-179.4-175.90113M1 M6 L7M1-R3 PolarHBondContact O-N 3.34Å; R3-M6 PolarHBondContact O-N 2.86Å; R3-L7 WeakPolarHBondContact O-CG 3.23Å; R3-L7 PolarHBondContact O-N 3.31Å; R3-L7 VanDerWaalsContact O-N 3.13Å
4S90.8Very high86.5Confident86 Ų86118.2 Ų118.260%0.60158%0.577SS**Hα-helixtrans-67.2-39.4177.4-51.50000111.5M1 F2 L7 A8M1-S4 PolarHBondContact O-N 2.88Å; M1-S4 VanDerWaalsContact O-N 3.14Å; F2-S4 PolarHBondContact O-N 3.48Å; S4-L7 PolarHBondContact O-N 2.81Å; S4-A8 PolarHBondContact O-N 3.04Å
5F90.4Very high86.2Confident135 Ų135119.2 Ų119.259%0.59258%0.58SS**Hα-helixtrans-62.8-47.6175.1178-98.1000111.8M1 F2 L7 A8 F9M1-F5 PolarHBondContact O-N 2.86Å; F2-F5 WeakPolarHBondContact O-CB 3.45Å; F2-F5 PolarHBondContact O-N 3.42Å; F5-L7 VanDerWaalsContact C-N 3.32Å; F5-L7 PolarHBondContact O-N 3.29Å; F5-A8 PolarHBondContact O-N 2.78Å; F5-F9 WeakPolarHBondContact O-CB 3.42Å; F5-F9 PolarHBondContact O-N 2.67Å
6M88.7Confident85.7Confident95 Ų95117.1 Ų117.147%0.46858%0.576SS.*Hα-helixtrans-58.9-41177.4-79.9-67.5-163.500112.8F2 R3 F9 Q10F2-M6 HydrophobicContact CD1-CG 4.17Å; F2-M6 HydrophobicContact CE1-CE 3.69Å; F2-M6 HydrophobicContact CE1-CG 3.85Å; F2-M6 HydrophobicContact CE2-CE 4.23Å; F2-M6 HydrophobicContact CZ-CE 3.35Å; F2-M6 HydrophobicContact CZ-CG 4.18Å; F2-M6 PolarHBondContact O-N 2.82Å; R3-M6 PolarHBondContact O-N 2.86Å; M6-F9 PolarHBondContact O-N 3.03Å; M6-Q10 WeakPolarHBondContact O-CB 2.84Å; M6-Q10 PolarHBondContact O-N 3.23Å
7L91.8Very high85.1Confident88 Ų88116.9 Ų116.946%0.46157%0.573SS.*Hα-helixtrans-67-39.7176.6-73.2170.2000112.4R3 S4 F5 Q10 K11R3-L7 WeakPolarHBondContact O-CG 3.23Å; R3-L7 PolarHBondContact O-N 3.31Å; R3-L7 VanDerWaalsContact O-N 3.13Å; S4-L7 PolarHBondContact O-N 2.81Å; F5-L7 VanDerWaalsContact C-N 3.32Å; F5-L7 PolarHBondContact O-N 3.29Å; L7-Q10 PolarHBondContact O-N 3.39Å; L7-K11 WeakPolarHBondContact O-CG 3.31Å; L7-K11 PolarHBondContact O-N 3.42Å
8A89.9Confident84.7Confident58 Ų58118.7 Ų118.748%0.47958%0.577SS.*Hα-helixtrans-64.5-45.2175.600000111.2S4 F5 Q10 K11 A12S4-A8 PolarHBondContact O-N 3.04Å; F5-A8 PolarHBondContact O-N 2.78Å; A8-Q10 PolarHBondContact O-N 2.99Å; A8-K11 PolarHBondContact O-N 3.4Å; A8-A12 PolarHBondContact O-N 2.84Å
9F83.4Confident84.4Confident121 Ų121119.1 Ų119.153%0.53158%0.578SS.*Hα-helixtrans-61.3-45.1175.9-172.7-101.1000111.8F5 M6 K11 A12 C13F5-F9 WeakPolarHBondContact O-CB 3.42Å; F5-F9 PolarHBondContact O-N 2.67Å; M6-F9 PolarHBondContact O-N 3.03Å; F9-K11 VanDerWaalsContact C-N 3.33Å; F9-K11 PolarHBondContact O-N 3.5Å; F9-A12 PolarHBondContact O-N 2.96Å; F9-C13 VanDerWaalsContact CE1-SG 3.51Å; F9-C13 PolarHBondContact O-N 2.88Å; F9-C13 PolarHBondContact O-SG 2.93Å
10Q86Confident83.8Confident91 Ų91120.5 Ų120.543%0.42558%0.578SS.*Hα-helixtrans-60.1-42.2176.5-169.5-174.517.700112M6 L7 A8 R14M6-Q10 WeakPolarHBondContact O-CB 2.84Å; M6-Q10 PolarHBondContact O-N 3.23Å; L7-Q10 PolarHBondContact O-N 3.39Å; A8-Q10 PolarHBondContact O-N 2.99Å; Q10-R14 WeakPolarHBondContact O-CG 2.94Å; Q10-R14 PolarHBondContact O-N 2.04Å
11K88.2Confident83.2Confident152 Ų152118 Ų11866%0.66157%0.567SS**Hα-helixtrans-63.5-44.6175.6-75.9178.9179.9-178.30111.5L7 A8 F9 R14 Q15L7-K11 WeakPolarHBondContact O-CG 3.31Å; L7-K11 PolarHBondContact O-N 3.42Å; A8-K11 PolarHBondContact O-N 3.4Å; F9-K11 VanDerWaalsContact C-N 3.33Å; F9-K11 PolarHBondContact O-N 3.5Å; K11-R14 PolarHBondContact O-N 3.03Å; K11-Q15 PolarHBondContact O-N 3.07Å
12A86.2Confident83.3Confident48 Ų48112.9 Ų112.940%0.39755%0.545SS..Hα-helixtrans-60.2-48.3177.100000111.5A8 F9 R14 Q15 V16A8-A12 PolarHBondContact O-N 2.84Å; F9-A12 PolarHBondContact O-N 2.96Å; A12-R14 VanDerWaalsContact C-N 3.34Å; A12-R14 PolarHBondContact O-N 2.72Å; A12-Q15 PolarHBondContact O-N 2.8Å; A12-Q15 VanDerWaalsContact O-N 3.09Å; A12-V16 WeakPolarHBondContact O-CG2 3.02Å; A12-V16 PolarHBondContact O-N 3.11Å
13C82.7Confident82.8Confident60 Ų60113.4 Ų113.441%0.40555%0.546SS..Hα-helixtrans-57.6-44176.1-72.70000112.2F9 Q15 V16 H17F9-C13 VanDerWaalsContact CE1-SG 3.51Å; F9-C13 PolarHBondContact O-N 2.88Å; F9-C13 PolarHBondContact O-SG 2.93Å; C13-Q15 VanDerWaalsContact C-N 3.31Å; C13-Q15 PolarHBondContact O-N 2.65Å; C13-V16 PolarHBondContact O-N 3.48Å; C13-H17 VanDerWaalsContact O-CB 3.28Å; C13-H17 WeakPolarHBondContact O-CB 3.05Å; C13-H17 PolarHBondContact O-N 2.85Å
14R84.4Confident82.1Confident153 Ų153110.2 Ų110.258%0.57754%0.535SS*.Hα-helixtrans-62.1-39.2176-72.7-175.2-158.1-169.17112.2Q10 K11 A12 K18Q10-R14 WeakPolarHBondContact O-CG 2.94Å; Q10-R14 PolarHBondContact O-N 2.04Å; K11-R14 PolarHBondContact O-N 3.03Å; A12-R14 VanDerWaalsContact C-N 3.34Å; A12-R14 PolarHBondContact O-N 2.72Å; R14-K18 WeakPolarHBondContact O-CG 3.08Å; R14-K18 PolarHBondContact O-N 3.12Å
15Q82.7Confident81.4Confident133 Ų133113 Ų11362%0.62153%0.534SS*.Hα-helixtrans-70.5-43.3-179.3-169.7167.6-14.500111.6K11 A12 C13 H17 K18 Q19K11-Q15 PolarHBondContact O-N 3.07Å; A12-Q15 PolarHBondContact O-N 2.8Å; A12-Q15 VanDerWaalsContact O-N 3.09Å; C13-Q15 VanDerWaalsContact C-N 3.31Å; C13-Q15 PolarHBondContact O-N 2.65Å; Q15-H17 VanDerWaalsContact C-N 3.35Å; Q15-K18 PolarHBondContact O-N 3.1Å; Q15-Q19 WeakPolarHBondContact O-CG 3.48Å; Q15-Q19 PolarHBondContact O-N 2.62Å
16V77.4Confident80.8Confident85 Ų85109.1 Ų109.152%0.51552%0.523SS..Hα-helixtrans-60.9-45.3173.6174.80000110.5A12 C13 K18 Q19 Y20A12-V16 WeakPolarHBondContact O-CG2 3.02Å; A12-V16 PolarHBondContact O-N 3.11Å; C13-V16 PolarHBondContact O-N 3.48Å; V16-K18 PolarHBondContact O-N 2.92Å; V16-Q19 PolarHBondContact O-N 3.08Å; V16-Y20 HydrophobicContact CG1-CD2 4.09Å; V16-Y20 HydrophobicContact CG1-CE2 4.47Å; V16-Y20 PolarHBondContact O-N 3.42Å
17H76.4Confident80.5Confident115 Ų115108.9 Ų108.953%0.53253%0.527SS..Hα-helixtrans-62.7-42179.2-166.7-107.4000112.3C13 Q15 Q19 Y20 L21C13-H17 VanDerWaalsContact O-CB 3.28Å; C13-H17 WeakPolarHBondContact O-CB 3.05Å; C13-H17 PolarHBondContact O-N 2.85Å; Q15-H17 VanDerWaalsContact C-N 3.35Å; H17-Q19 PolarHBondContact O-N 3.07Å; H17-Y20 PolarHBondContact O-N 2.91Å; H17-L21 WeakPolarHBondContact CE1-CD1 3.41Å; H17-L21 WeakPolarHBondContact ND1-CD1 3.34Å; H17-L21 WeakPolarHBondContact O-CB 3.47Å; H17-L21 WeakPolarHBondContact O-CG 3.49Å; H17-L21 PolarHBondContact O-N 2.94Å
18K78.1Confident80Confident148 Ų148108.9 Ų108.964%0.64353%0.526SS*.Hα-helixtrans-61.5-42.7174.4-79-177.7178.3-172.20112.3R14 Q15 V16 N22R14-K18 WeakPolarHBondContact O-CG 3.08Å; R14-K18 PolarHBondContact O-N 3.12Å; Q15-K18 PolarHBondContact O-N 3.1Å; V16-K18 PolarHBondContact O-N 2.92Å; K18-N22 VanDerWaalsContact O-CB 3.28Å; K18-N22 WeakPolarHBondContact O-CB 3.48Å; K18-N22 PolarHBondContact O-N 3.3Å
19Q77.8Confident79.5Confident127 Ų127110.3 Ų110.359%0.59353%0.529SS*.Hα-helixtrans-65.1-43.9178-72.2-71.65.700111.7Q15 V16 H17 K23Q15-Q19 WeakPolarHBondContact O-CG 3.48Å; Q15-Q19 PolarHBondContact O-N 2.62Å; V16-Q19 PolarHBondContact O-N 3.08Å; H17-Q19 PolarHBondContact O-N 3.07Å; Q19-K23 WeakPolarHBondContact O-CB 3.43Å; Q19-K23 PolarHBondContact O-N 2.69Å
20Y73.1Confident79.5Confident147 Ų147112.8 Ų112.858%0.57654%0.536SS*.Hα-helixtrans-60-55.9175.6-105.1-101.4000111.1V16 H17 N22 K23 Y24V16-Y20 HydrophobicContact CG1-CD2 4.09Å; V16-Y20 HydrophobicContact CG1-CE2 4.47Å; V16-Y20 PolarHBondContact O-N 3.42Å; H17-Y20 PolarHBondContact O-N 2.91Å; Y20-N22 VanDerWaalsContact C-N 3.34Å; Y20-N22 PolarHBondContact O-N 3.48Å; Y20-K23 PolarHBondContact O-N 3.12Å; Y20-K23 VanDerWaalsContact O-N 3.15Å; Y20-Y24 HydrophobicContact CD1-CD2 4.17Å; Y20-Y24 AromaticContact CD1-CE2 3.56Å; Y20-Y24 HydrophobicContact CD1-CE2 3.56Å; Y20-Y24 AromaticContact CE1-CE2 3.88Å; Y20-Y24 HydrophobicContact CE1-CE2 3.88Å; Y20-Y24 VanDerWaalsContact O-CD2 3.22Å; Y20-Y24 WeakPolarHBondContact O-CD2 3.47Å; Y20-Y24 PolarHBondContact O-N 3.25Å
21L71.2Confident79.4Confident67 Ų67114.2 Ų114.235%0.35154%0.542SS..Hα-helixtrans-57.2-47.7179.7-74.2-179.2000111.2H17 K23 Y24 Y25H17-L21 WeakPolarHBondContact CE1-CD1 3.41Å; H17-L21 WeakPolarHBondContact ND1-CD1 3.34Å; H17-L21 WeakPolarHBondContact O-CB 3.47Å; H17-L21 WeakPolarHBondContact O-CG 3.49Å; H17-L21 PolarHBondContact O-N 2.94Å; L21-K23 VanDerWaalsContact C-N 3.29Å; L21-K23 PolarHBondContact O-N 3.5Å; L21-Y24 PolarHBondContact O-N 2.76Å; L21-Y25 HydrophobicContact CB-CD2 3.9Å; L21-Y25 HydrophobicContact CB-CE2 3.97Å; L21-Y25 HydrophobicContact CD1-CE2 4.45Å; L21-Y25 HydrophobicContact CD2-CD2 4.42Å; L21-Y25 HydrophobicContact CD2-CE2 3.83Å; L21-Y25 HydrophobicContact CG-CE2 4.3Å; L21-Y25 VanDerWaalsContact O-CB 3.31Å; L21-Y25 WeakPolarHBondContact O-CB 3.32Å; L21-Y25 WeakPolarHBondContact O-CD2 3.47Å; L21-Y25 PolarHBondContact O-N 2.97Å
22N75.8Confident79.3Confident109 Ų109111.6 Ų111.658%0.58353%0.534SS*.Hα-helixtrans-59.6-39.2179.2-82.5-7000112.7K18 Y20 S26K18-N22 VanDerWaalsContact O-CB 3.28Å; K18-N22 WeakPolarHBondContact O-CB 3.48Å; K18-N22 PolarHBondContact O-N 3.3Å; Y20-N22 VanDerWaalsContact C-N 3.34Å; Y20-N22 PolarHBondContact O-N 3.48Å; N22-S26 WeakPolarHBondContact O-CB 3.39Å; N22-S26 PolarHBondContact O-N 3.13Å
23K74.5Confident79.1Confident155 Ų155111.4 Ų111.467%0.67453%0.532SS*.Hα-helixtrans-65.5-46.5177.9-169.5176.3179.4-179.70111.5Q19 Y20 L21 V27Q19-K23 WeakPolarHBondContact O-CB 3.43Å; Q19-K23 PolarHBondContact O-N 2.69Å; Y20-K23 PolarHBondContact O-N 3.12Å; Y20-K23 VanDerWaalsContact O-N 3.15Å; L21-K23 VanDerWaalsContact C-N 3.29Å; L21-K23 PolarHBondContact O-N 3.5Å; K23-V27 VanDerWaalsContact O-CG2 3.29Å; K23-V27 WeakPolarHBondContact O-CG2 3.45Å; K23-V27 PolarHBondContact O-N 3.42Å; K23-V27 VanDerWaalsContact O-N 3.12Å
24Y74.3Confident79.4Confident142 Ų142114.7 Ų114.756%0.55754%0.54SS*.Hα-helixtrans-69.5-45.4178.8-76.2-78.7000112.4Y20 L21 S26 V27 I28Y20-Y24 HydrophobicContact CD1-CD2 4.17Å; Y20-Y24 AromaticContact CD1-CE2 3.56Å; Y20-Y24 HydrophobicContact CD1-CE2 3.56Å; Y20-Y24 AromaticContact CE1-CE2 3.88Å; Y20-Y24 HydrophobicContact CE1-CE2 3.88Å; Y20-Y24 VanDerWaalsContact O-CD2 3.22Å; Y20-Y24 WeakPolarHBondContact O-CD2 3.47Å; Y20-Y24 PolarHBondContact O-N 3.25Å; L21-Y24 PolarHBondContact O-N 2.76Å; Y24-S26 VanDerWaalsContact C-N 3.32Å; Y24-S26 PolarHBondContact O-N 3.2Å; Y24-V27 PolarHBondContact O-N 3.29Å; Y24-I28 WeakPolarHBondContact O-CB 3.49Å; Y24-I28 WeakPolarHBondContact O-CD1 3.44Å; Y24-I28 WeakPolarHBondContact O-CG1 3.29Å; Y24-I28 PolarHBondContact O-N 3.44Å
25Y76.9Confident79.5Confident145 Ų145111.1 Ų111.157%0.56953%0.532SS*.Hα-helixtrans-59.5-44.4176.1-82.7-66.6000111.2L21 V27 I28 T29L21-Y25 HydrophobicContact CB-CD2 3.9Å; L21-Y25 HydrophobicContact CB-CE2 3.97Å; L21-Y25 HydrophobicContact CD1-CE2 4.45Å; L21-Y25 HydrophobicContact CD2-CD2 4.42Å; L21-Y25 HydrophobicContact CD2-CE2 3.83Å; L21-Y25 HydrophobicContact CG-CE2 4.3Å; L21-Y25 VanDerWaalsContact O-CB 3.31Å; L21-Y25 WeakPolarHBondContact O-CB 3.32Å; L21-Y25 WeakPolarHBondContact O-CD2 3.47Å; L21-Y25 PolarHBondContact O-N 2.97Å; Y25-V27 PolarHBondContact O-N 3.05Å; Y25-I28 PolarHBondContact O-N 3.08Å; Y25-T29 WeakPolarHBondContact O-CB 3.28Å; Y25-T29 PolarHBondContact O-N 2.88Å; Y25-T29 PolarHBondContact O-OG1 3.01Å
26S78.1Confident79.5Confident52 Ų52108.8 Ų108.836%0.36453%0.527SS..Hα-helixtrans-57-51.6176.3-177.40000111.2N22 Y24 I28 T29 Y30N22-S26 WeakPolarHBondContact O-CB 3.39Å; N22-S26 PolarHBondContact O-N 3.13Å; Y24-S26 VanDerWaalsContact C-N 3.32Å; Y24-S26 PolarHBondContact O-N 3.2Å; S26-I28 PolarHBondContact O-N 3.26Å; S26-T29 PolarHBondContact O-N 2.85Å; S26-Y30 WeakPolarHBondContact O-CD2 3.4Å; S26-Y30 PolarHBondContact O-N 3.49Å; S26-Y30 VanDerWaalsContact OG-CE2 3.24Å; S26-Y30 WeakPolarHBondContact OG-CE2 3.33Å
27V81.6Confident79.7Confident91 Ų91111.5 Ų111.555%0.55253%0.532SS*.Hα-helixtrans-60.3-44.9178.1174.20000111.9K23 Y24 Y25 Y30 F31K23-V27 VanDerWaalsContact O-CG2 3.29Å; K23-V27 WeakPolarHBondContact O-CG2 3.45Å; K23-V27 PolarHBondContact O-N 3.42Å; K23-V27 VanDerWaalsContact O-N 3.12Å; Y24-V27 PolarHBondContact O-N 3.29Å; Y25-V27 PolarHBondContact O-N 3.05Å; V27-Y30 PolarHBondContact O-N 3.29Å; V27-F31 WeakPolarHBondContact O-CB 3.24Å; V27-F31 PolarHBondContact O-N 3.26Å
28I81.8Confident80Confident87 Ų87111.4 Ų111.445%0.44653%0.53SS..Hα-helixtrans-63.4-43.9178.7-67.9165000110.7Y24 Y25 S26 F31 L32Y24-I28 WeakPolarHBondContact O-CB 3.49Å; Y24-I28 WeakPolarHBondContact O-CD1 3.44Å; Y24-I28 WeakPolarHBondContact O-CG1 3.29Å; Y24-I28 PolarHBondContact O-N 3.44Å; Y25-I28 PolarHBondContact O-N 3.08Å; S26-I28 PolarHBondContact O-N 3.26Å; I28-F31 PolarHBondContact O-N 3.43Å; I28-L32 HydrophobicContact CG2-CD1 3.83Å; I28-L32 HydrophobicContact CG2-CG 4.34Å; I28-L32 WeakPolarHBondContact O-CB 3.33Å; I28-L32 WeakPolarHBondContact O-CG 3.01Å; I28-L32 PolarHBondContact O-N 3.37Å
29T79.1Confident80.2Confident89 Ų89106.7 Ų106.755%0.54652%0.519SS..Hα-helixtrans-64.9-42.4178.3-58.50000111.4Y25 S26 L32 A33Y25-T29 WeakPolarHBondContact O-CB 3.28Å; Y25-T29 PolarHBondContact O-N 2.88Å; Y25-T29 PolarHBondContact O-OG1 3.01Å; S26-T29 PolarHBondContact O-N 2.85Å; T29-L32 PolarHBondContact O-N 3.49Å; T29-A33 VanDerWaalsContact O-CB 3.28Å; T29-A33 WeakPolarHBondContact O-CB 3.35Å; T29-A33 PolarHBondContact O-N 3.09Å
30Y83.6Confident80.2Confident172 Ų172105.6 Ų105.668%0.67552%0.516SS*.Hα-helixtrans-62.9-42.1174.1-78.2-64000112S26 V27 A33 F34S26-Y30 WeakPolarHBondContact O-CD2 3.4Å; S26-Y30 PolarHBondContact O-N 3.49Å; S26-Y30 VanDerWaalsContact OG-CE2 3.24Å; S26-Y30 WeakPolarHBondContact OG-CE2 3.33Å; V27-Y30 PolarHBondContact O-N 3.29Å; Y30-A33 PolarHBondContact O-N 2.92Å; Y30-F34 WeakPolarHBondContact O-CB 3.29Å; Y30-F34 PolarHBondContact O-N 3.18Å
31F84Confident80.4Confident122 Ų122103.1 Ų103.154%0.53551%0.512SS..Hα-helixtrans-64.4-45.4177.5-176.8-105.7000112V27 I28 F34 L35V27-F31 WeakPolarHBondContact O-CB 3.24Å; V27-F31 PolarHBondContact O-N 3.26Å; I28-F31 PolarHBondContact O-N 3.43Å; F31-F34 WeakPolarHBondContact O-CB 3.47Å; F31-F34 PolarHBondContact O-N 2.89Å; F31-L35 HydrophobicContact CD1-CD1 3.89Å; F31-L35 HydrophobicContact CD1-CG 4.4Å; F31-L35 HydrophobicContact CE1-CD1 3.41Å; F31-L35 VanDerWaalsContact CE1-CD1 3.41Å; F31-L35 HydrophobicContact CE1-CG 4.06Å; F31-L35 HydrophobicContact CZ-CD1 3.89Å; F31-L35 HydrophobicContact CZ-CD2 4.29Å; F31-L35 HydrophobicContact CZ-CG 4.15Å; F31-L35 WeakPolarHBondContact O-CG 3.02Å; F31-L35 PolarHBondContact O-N 2.89Å
32L84.9Confident80.6Confident96 Ų96104.8 Ų104.850%0.50352%0.521SS..Hα-helixtrans-60.7-46.5174.5-75.3169.2000111.2I28 T29 F34 L35 T36I28-L32 HydrophobicContact CG2-CD1 3.83Å; I28-L32 HydrophobicContact CG2-CG 4.34Å; I28-L32 WeakPolarHBondContact O-CB 3.33Å; I28-L32 WeakPolarHBondContact O-CG 3.01Å; I28-L32 PolarHBondContact O-N 3.37Å; T29-L32 PolarHBondContact O-N 3.49Å; L32-F34 VanDerWaalsContact C-N 3.28Å; L32-F34 PolarHBondContact O-N 2.89Å; L32-L35 PolarHBondContact O-N 3.31Å; L32-T36 PolarHBondContact O-N 3.4Å; L32-T36 PolarHBondContact O-OG1 3.36Å
33A83.8Confident80.2Confident44 Ų44106 Ų10636%0.36452%0.523SS..Hα-helixtrans-60.9-38.1177.200000112.2T29 Y30 K37T29-A33 VanDerWaalsContact O-CB 3.28Å; T29-A33 WeakPolarHBondContact O-CB 3.35Å; T29-A33 PolarHBondContact O-N 3.09Å; Y30-A33 PolarHBondContact O-N 2.92Å; A33-K37 VanDerWaalsContact O-CG 3.32Å; A33-K37 WeakPolarHBondContact O-CG 3.5Å; A33-K37 PolarHBondContact O-N 2.89Å; A33-K37 VanDerWaalsContact O-N 3.09Å
34F87.8Confident79.9Confident129 Ų129102.7 Ų102.757%0.56652%0.52SS*.Hα-helixtrans-63.7-47.6173.7177.9-96.6000111.5Y30 F31 L32 T36 K37 F38Y30-F34 WeakPolarHBondContact O-CB 3.29Å; Y30-F34 PolarHBondContact O-N 3.18Å; F31-F34 WeakPolarHBondContact O-CB 3.47Å; F31-F34 PolarHBondContact O-N 2.89Å; L32-F34 VanDerWaalsContact C-N 3.28Å; L32-F34 PolarHBondContact O-N 2.89Å; F34-T36 VanDerWaalsContact C-N 3.35Å; F34-T36 PolarHBondContact O-N 2.91Å; F34-K37 PolarHBondContact O-N 3.26Å; F34-F38 WeakPolarHBondContact O-CB 3.22Å; F34-F38 PolarHBondContact O-N 2.84Å
35L87.3Confident79.3Confident78 Ų78103.3 Ų103.341%0.40853%0.525SS..Hα-helixtrans-59.7-43.2176.8-73.6178.5000112.2F31 L32 K37 F38 A39F31-L35 HydrophobicContact CD1-CD1 3.89Å; F31-L35 HydrophobicContact CD1-CG 4.4Å; F31-L35 HydrophobicContact CE1-CD1 3.41Å; F31-L35 VanDerWaalsContact CE1-CD1 3.41Å; F31-L35 HydrophobicContact CE1-CG 4.06Å; F31-L35 HydrophobicContact CZ-CD1 3.89Å; F31-L35 HydrophobicContact CZ-CD2 4.29Å; F31-L35 HydrophobicContact CZ-CG 4.15Å; F31-L35 WeakPolarHBondContact O-CG 3.02Å; F31-L35 PolarHBondContact O-N 2.89Å; L32-L35 PolarHBondContact O-N 3.31Å; L35-K37 PolarHBondContact O-N 2.89Å; L35-F38 PolarHBondContact O-N 3.4Å; L35-A39 WeakPolarHBondContact O-CB 3.43Å; L35-A39 PolarHBondContact O-N 3.43Å
36T82.8Confident78.4Confident85 Ų85100.6 Ų100.652%0.52152%0.524SS..Hα-helixtrans-63-43.6177.9-42.20000111.2L32 F34 F38 A39 I40L32-T36 PolarHBondContact O-N 3.4Å; L32-T36 PolarHBondContact O-OG1 3.36Å; F34-T36 VanDerWaalsContact C-N 3.35Å; F34-T36 PolarHBondContact O-N 2.91Å; T36-F38 VanDerWaalsContact C-N 3.34Å; T36-F38 PolarHBondContact O-N 2.91Å; T36-A39 PolarHBondContact O-N 2.87Å; T36-I40 HydrophobicContact CG2-CD1 4.3Å; T36-I40 WeakPolarHBondContact O-CD1 3.31Å; T36-I40 VanDerWaalsContact O-CG1 3.29Å; T36-I40 WeakPolarHBondContact O-CG1 3.28Å; T36-I40 PolarHBondContact O-N 3.31Å; T36-I40 VanDerWaalsContact O-N 3.08Å
37K81.7Confident77.3Confident142 Ų142102.8 Ų102.862%0.61754%0.537SS*.Hα-helixtrans-63.3-41176.1-72.7178-174-63.10111.9A33 F34 L35 I40 L41A33-K37 VanDerWaalsContact O-CG 3.32Å; A33-K37 WeakPolarHBondContact O-CG 3.5Å; A33-K37 PolarHBondContact O-N 2.89Å; A33-K37 VanDerWaalsContact O-N 3.09Å; F34-K37 PolarHBondContact O-N 3.26Å; L35-K37 PolarHBondContact O-N 2.89Å; K37-I40 PolarHBondContact O-N 3.48Å; K37-L41 WeakPolarHBondContact O-CG 3.11Å; K37-L41 PolarHBondContact O-N 3.28Å
38F82.7Confident75.9Confident113 Ų113107.9 Ų107.950%0.49655%0.552SS.*Hα-helixtrans-63.9-42.6176.9-174.4-97.5000111.8F34 L35 T36 L41 L42F34-F38 WeakPolarHBondContact O-CB 3.22Å; F34-F38 PolarHBondContact O-N 2.84Å; L35-F38 PolarHBondContact O-N 3.4Å; T36-F38 VanDerWaalsContact C-N 3.34Å; T36-F38 PolarHBondContact O-N 2.91Å; F38-L41 PolarHBondContact O-N 3.12Å; F38-L42 HydrophobicContact CE1-CD1 4.36Å; F38-L42 HydrophobicContact CZ-CD1 4.4Å; F38-L42 WeakPolarHBondContact O-CB 3.22Å; F38-L42 PolarHBondContact O-N 3.29Å
39A80.9Confident74.7Confident48 Ų48108.4 Ų108.440%0.39756%0.559SS.*Hα-helixtrans-61.3-44.9176.200000112.2L35 T36 L41 L42 E43L35-A39 WeakPolarHBondContact O-CB 3.43Å; L35-A39 PolarHBondContact O-N 3.43Å; T36-A39 PolarHBondContact O-N 2.87Å; A39-L41 VanDerWaalsContact C-N 3.32Å; A39-L41 PolarHBondContact O-N 3.47Å; A39-L42 WeakPolarHBondContact O-CB 3.36Å; A39-L42 PolarHBondContact O-N 2.81Å; A39-L42 VanDerWaalsContact O-N 3.13Å; A39-E43 PolarHBondContact O-N 3.04Å
40I79.1Confident73.4Confident105 Ų105108.1 Ų108.154%0.53856%0.561SS.*Hα-helixtrans-60.7-42.9176.4-65.7163.1000110.9T36 K37 E43 S44T36-I40 HydrophobicContact CG2-CD1 4.3Å; T36-I40 WeakPolarHBondContact O-CD1 3.31Å; T36-I40 VanDerWaalsContact O-CG1 3.29Å; T36-I40 WeakPolarHBondContact O-CG1 3.28Å; T36-I40 PolarHBondContact O-N 3.31Å; T36-I40 VanDerWaalsContact O-N 3.08Å; K37-I40 PolarHBondContact O-N 3.48Å; I40-E43 PolarHBondContact O-N 3.15Å; I40-S44 PolarHBondContact O-N 2.78Å; I40-S44 VanDerWaalsContact O-N 3.07Å
41L76.3Confident71.9Confident95 Ų95105.3 Ų105.350%0.49756%0.562SS.*Hα-helixtrans-63.2-43.7174.9-73.2169.5000110.9K37 F38 A39 E43 S44 F45K37-L41 WeakPolarHBondContact O-CG 3.11Å; K37-L41 PolarHBondContact O-N 3.28Å; F38-L41 PolarHBondContact O-N 3.12Å; A39-L41 VanDerWaalsContact C-N 3.32Å; A39-L41 PolarHBondContact O-N 3.47Å; L41-E43 VanDerWaalsContact C-N 3.33Å; L41-E43 PolarHBondContact O-N 3.3Å; L41-S44 CarbonylContact O-C 3.58Å; L41-S44 WeakPolarHBondContact O-CA 3.31Å; L41-S44 WeakPolarHBondContact O-CB 3.48Å; L41-S44 PolarHBondContact O-N 3.43Å; L41-S44 VanDerWaalsContact O-N 3.08Å; L41-S44 PolarHBondContact O-OG 3.06Å; L41-F45 HydrophobicContact CB-CE2 4.48Å; L41-F45 WeakPolarHBondContact O-CD2 3.4Å; L41-F45 PolarHBondContact O-N 3.25Å
42L75.3Confident70.5Confident101 Ų101104 Ų10453%0.52957%0.565SS.*Hα-helixtrans-62.3-40.4179.9-159.577.1000111.9F38 A39 S44 F45 T46F38-L42 HydrophobicContact CE1-CD1 4.36Å; F38-L42 HydrophobicContact CZ-CD1 4.4Å; F38-L42 WeakPolarHBondContact O-CB 3.22Å; F38-L42 PolarHBondContact O-N 3.29Å; A39-L42 WeakPolarHBondContact O-CB 3.36Å; A39-L42 PolarHBondContact O-N 2.81Å; A39-L42 VanDerWaalsContact O-N 3.13Å; L42-S44 VanDerWaalsContact C-N 3.34Å; L42-F45 CarbonylContact O-C 3.43Å; L42-F45 WeakPolarHBondContact O-CA 3.4Å; L42-F45 PolarHBondContact O-N 2.91Å; L42-F45 VanDerWaalsContact O-N 3.1Å; L42-T46 PolarHBondContact O-N 2.91Å
43E66.8Low69Low134 Ų134104.3 Ų104.363%0.62657%0.573SS**Hα-helixtrans-61.3-41.8171.9-75.2-176.4171.600111.7A39 I40 L41 F45 T46A39-E43 PolarHBondContact O-N 3.04Å; I40-E43 PolarHBondContact O-N 3.15Å; L41-E43 VanDerWaalsContact C-N 3.33Å; L41-E43 PolarHBondContact O-N 3.3Å; E43-F45 PolarHBondContact O-N 3.37Å; E43-T46 PolarHBondContact O-N 2.91Å; E43-T46 VanDerWaalsContact O-N 3.12Å; E43-T46 PolarHBondContact O-OG1 3.4Å
44S68.3Low67.4Low87 Ų87110.1 Ų110.161%0.60860%0.597SS**Hα-helixtrans-65-26.3174.175.90000113.3I40 L41 L42I40-S44 PolarHBondContact O-N 2.78Å; I40-S44 VanDerWaalsContact O-N 3.07Å; L41-S44 CarbonylContact O-C 3.58Å; L41-S44 WeakPolarHBondContact O-CA 3.31Å; L41-S44 WeakPolarHBondContact O-CB 3.48Å; L41-S44 PolarHBondContact O-N 3.43Å; L41-S44 VanDerWaalsContact O-N 3.08Å; L41-S44 PolarHBondContact O-OG 3.06Å; L42-S44 VanDerWaalsContact C-N 3.34Å
45F61.9Low65.6Low154 Ų154108.4 Ų108.468%0.67560%0.597SS**Hα-helixtrans-87-10.4175.1-78.7-65.9000113.7L41 L42 E43 P47L41-F45 HydrophobicContact CB-CE2 4.48Å; L41-F45 WeakPolarHBondContact O-CD2 3.4Å; L41-F45 PolarHBondContact O-N 3.25Å; L42-F45 CarbonylContact O-C 3.43Å; L42-F45 WeakPolarHBondContact O-CA 3.4Å; L42-F45 PolarHBondContact O-N 2.91Å; L42-F45 VanDerWaalsContact O-N 3.1Å; E43-F45 PolarHBondContact O-N 3.37Å; F45-P47 VanDerWaalsContact C-N 3.31Å; F45-P47 WeakPolarHBondContact O-CD 3.28Å
46T58.6Low63.6Low88 Ų88110 Ų11054%0.5462%0.615SS.*SBendtrans-58.6104169.255.90000105.8L42 E43 F48L42-T46 PolarHBondContact O-N 2.91Å; E43-T46 PolarHBondContact O-N 2.91Å; E43-T46 VanDerWaalsContact O-N 3.12Å; E43-T46 PolarHBondContact O-OG1 3.4Å; T46-F48 PolarHBondContact O-N 3.05Å
47P56.1Low62.1Low99 Ų99111 Ų11164%0.64362%0.621SS**  trans-67.4119.517832.7-28.5000101F45 V49F45-P47 VanDerWaalsContact C-N 3.31Å; F45-P47 WeakPolarHBondContact O-CD 3.28Å; P47-V49 HydrophobicContact CB-CG2 3.72Å; P47-V49 HydrophobicContact CG-CG2 3.81Å; P47-V49 PolarHBondContact O-N 3.23Å
48F52.3Low60.4Low198 Ų198109.3 Ų109.387%0.86863%0.625SS**  trans-63.860.5159.8-125.1-90.5000105.8T46 S50T46-F48 PolarHBondContact O-N 3.05Å; F48-S50 PolarHBondContact O-N 3.49Å; F48-S50 PolarHBondContact O-OG 2.92Å
49V55.6Low58.6Low97 Ų97111.5 Ų111.559%0.58864%0.64SS**  trans-66.581.7149.9-171.50000101.1P47 T51P47-V49 HydrophobicContact CB-CG2 3.72Å; P47-V49 HydrophobicContact CG-CG2 3.81Å; P47-V49 PolarHBondContact O-N 3.23Å; V49-T51 HydrophobicContact CG1-CG2 4.48Å; V49-T51 PolarHBondContact O-N 2.89Å
50S51.8Low56.7Low84 Ų84114.4 Ų114.459%0.58765%0.653SS**  -27.784.6122.438.20000107.7F48 P52F48-S50 PolarHBondContact O-N 3.49Å; F48-S50 PolarHBondContact O-OG 2.92Å; S50-P52 VanDerWaalsContact C-CD 3.43Å; S50-P52 WeakPolarHBondContact O-CD 3.38Å; S50-P52 VanDerWaalsContact O-N 3.12Å
51T52.3Low54.9Low113 Ų113114.6 Ų114.669%0.69366%0.661SS**  trans-58.499.9137.635.10000102.3V49 P53V49-T51 HydrophobicContact CG1-CG2 4.48Å; V49-T51 PolarHBondContact O-N 2.89Å; T51-P53 VanDerWaalsContact O-N 3.15Å
52P53.8Low53.3Low93 Ų93118.2 Ų118.260%0.60467%0.673SS**  trans-51.6130.1162.325.2-33.3000104.2S50 L54S50-P52 VanDerWaalsContact C-CD 3.43Å; S50-P52 WeakPolarHBondContact O-CD 3.38Å; S50-P52 VanDerWaalsContact O-N 3.12Å; P52-L54 PolarHBondContact O-N 3.45Å
53P53.1Low51.5Low103 Ų103120.1 Ų120.167%0.66968%0.684SS**  trans-50.4124.416723.6-31.4000104.8T51 T55T51-P53 VanDerWaalsContact O-N 3.15Å; P53-T55 WeakPolarHBondContact CB-OG1 3.38Å; P53-T55 PolarHBondContact O-N 3.39Å; P53-T55 PolarHBondContact O-OG1 2.99Å
54L50.9Low50.4Low167 Ų167121.6 Ų121.687%0.87470%0.695SS**  trans-65.566.4166.5-79.789.7000106.2P52 S56P52-L54 PolarHBondContact O-N 3.45Å; L54-S56 PolarHBondContact O-N 2.9Å
55T49.5Very low49.1Very low92 Ų92123 Ų12356%0.56471%0.705SS**  trans-8086.2168.5-28.30000103.4P53 T57P53-T55 WeakPolarHBondContact CB-OG1 3.38Å; P53-T55 PolarHBondContact O-N 3.39Å; P53-T55 PolarHBondContact O-OG1 2.99Å; T55-T57 HydrophobicContact CG2-CG2 4.44Å; T55-T57 PolarHBondContact O-N 3.47Å; T55-T57 PolarHBondContact O-OG1 2.9Å
56S46.2Very low48.5Very low111 Ų111119.4 Ų119.478%0.77670%0.704SS**  trans-61.569.2162.254.90000108.5L54 P58L54-S56 PolarHBondContact O-N 2.9Å; S56-P58 VanDerWaalsContact O-CD 3.31Å; S56-P58 WeakPolarHBondContact O-CD 3.4Å
57T51.4Low47.8Very low107 Ų107119.3 Ų119.366%0.65671%0.707SS**  trans-85.3109.6165.219.20000106.7T55 I59T55-T57 HydrophobicContact CG2-CG2 4.44Å; T55-T57 PolarHBondContact O-N 3.47Å; T55-T57 PolarHBondContact O-OG1 2.9Å; T57-I59 PolarHBondContact O-N 3Å
58P46.3Very low47.4Very low106 Ų106120.5 Ų120.569%0.68871%0.714SS**  trans-58.3130.1179.522.3-30.9000109.1S56 T60S56-P58 VanDerWaalsContact O-CD 3.31Å; S56-P58 WeakPolarHBondContact O-CD 3.4Å; P58-T60 VanDerWaalsContact C-N 3.26Å; P58-T60 PolarHBondContact O-N 3.42Å
59I45.1Very low47.1Very low160 Ų160116.8 Ų116.882%0.82171%0.708SS**  trans-62.491.3173.3-56.1166.8000106.4T57 P61T57-I59 PolarHBondContact O-N 3Å; I59-P61 VanDerWaalsContact O-CD 3.23Å; I59-P61 WeakPolarHBondContact O-CD 3.5Å
60T40Very low46.7Very low108 Ų108120 Ų12066%0.66372%0.715SS**  trans-92104160.345.90000106.9P58 F62P58-T60 VanDerWaalsContact C-N 3.26Å; P58-T60 PolarHBondContact O-N 3.42Å; T60-F62 PolarHBondContact O-N 2.87Å
61P41.9Very low46.4Very low110 Ų110121.8 Ų121.871%0.71473%0.727SS**  trans-77.170.8175.133-33.7000108.8I59I59-P61 VanDerWaalsContact O-CD 3.23Å; I59-P61 WeakPolarHBondContact O-CD 3.5Å
62F42Very low45.8Very low170 Ų170119.8 Ų119.875%0.74673%0.728SS**  trans-125.697.9169.3-87.5-83.2000109.2T60 L64T60-F62 PolarHBondContact O-N 2.87Å; F62-L64 PolarHBondContact O-N 3.37Å
63N37.7Very low45.4Very low142 Ų142120.2 Ų120.276%0.75973%0.729SS**  trans43.977.5142.2-77.2-44.8000117.2
64L44Very low45.1Very low165 Ų165120.1 Ų120.186%0.86473%0.731SS**  trans-128.276.8143.4-74.7173.2000108.8F62 A66F62-L64 PolarHBondContact O-N 3.37Å; L64-A66 PolarHBondContact O-N 3.09Å
65S41.6Very low45Very low116 Ų116117.7 Ų117.781%0.81173%0.725SS**  trans-52.777.3142.5157.90000108.5
66A48Very low45Very low79 Ų79118.2 Ų118.265%0.65373%0.73SS**  trans-105.484.4157.800000105.2L64 P68L64-A66 PolarHBondContact O-N 3.09Å; A66-P68 WeakPolarHBondContact O-CD 3.37Å
67S44.6Very low45.2Very low86 Ų86117.7 Ų117.760%0.60173%0.732SS**  trans-56.3124.9170.360.10000107.6T69S67-T69 VanDerWaalsContact C-N 3.33Å; S67-T69 PolarHBondContact O-N 2.92Å; S67-T69 PolarHBondContact O-OG1 3.3Å
68P48.5Very low44.7Very low123 Ų123119 Ų11980%0.79974%0.736SS**  trans-70.295.8176.827.3-31.2000108.1A66 F70A66-P68 WeakPolarHBondContact O-CD 3.37Å; P68-F70 PolarHBondContact O-N 3.06Å
69T44.1Very low44.7Very low120 Ų120119.9 Ų119.974%0.73673%0.733SS**  trans-70.578.4168-19.50000107.5S67S67-T69 VanDerWaalsContact C-N 3.33Å; S67-T69 PolarHBondContact O-N 2.92Å; S67-T69 PolarHBondContact O-OG1 3.3Å
70F47.5Very low44.5Very low166 Ų166120.7 Ų120.773%0.72873%0.731SS**  trans-114.649.2167.7-129.6-96.7000109.9P68 G72 V73P68-F70 PolarHBondContact O-N 3.06Å; F70-G72 PolarHBondContact O-N 3.43Å; F70-V73 HydrophobicContact CD1-CG2 4.19Å; F70-V73 HydrophobicContact CE1-CB 3.94Å; F70-V73 HydrophobicContact CE1-CG2 3.48Å; F70-V73 VanDerWaalsContact CE1-CG2 3.48Å; F70-V73 HydrophobicContact CZ-CG2 4.02Å
71S45.3Very low44.4Very low121 Ų121118.5 Ų118.585%0.84672%0.719SS**  trans-71.9105.3157.5-70.20000107.6
72G40.9Very low44.4Very low70 Ų70121.9 Ų121.972%0.72272%0.722SS**SBendtrans141.5-4.6155.500000118.5F70F70-G72 PolarHBondContact O-N 3.43Å
73V45.7Very low44.5Very low102 Ų102121.2 Ų121.262%0.61873%0.726SS**  trans-131.788.3176.1-128.50000109.5F70F70-V73 HydrophobicContact CD1-CG2 4.19Å; F70-V73 HydrophobicContact CE1-CB 3.94Å; F70-V73 HydrophobicContact CE1-CG2 3.48Å; F70-V73 VanDerWaalsContact CE1-CG2 3.48Å; F70-V73 HydrophobicContact CZ-CG2 4.02Å
74S46Very low44.7Very low102 Ų102118.6 Ų118.671%0.71372%0.719SS**PPolyproline II helixtrans-52.1129.3163.9440000108.4
75P48.2Very low44.8Very low115 Ų115114 Ų11475%0.74771%0.712SS**PPolyproline II helixtrans-55.3133.5178.321.1-30.4000108.9A77P75-A77 PolarHBondContact O-N 3.38Å
76P50.5Low45Very low104 Ų104116.7 Ų116.768%0.67572%0.716SS**PPolyproline II helixtrans-54.1119.4-175.918.5-29.7000109.2N78P76-N78 PolarHBondContact O-N 2.89Å
77A49.9Very low44.7Very low99 Ų99116.5 Ų116.582%0.81871%0.71SS**THydrogen-bonded Turntrans-57.6114-177.300000109P75 I79P75-A77 PolarHBondContact O-N 3.38Å; A77-I79 PolarHBondContact O-N 3.2Å
78N42.3Very low44.5Very low136 Ų136116.1 Ų116.173%0.72771%0.706SS**THydrogen-bonded Turntrans61.556.1155-151.1-11000114.2P76 K80P76-N78 PolarHBondContact O-N 2.89Å; N78-K80 VanDerWaalsContact C-N 3.3Å; N78-K80 PolarHBondContact O-N 3.27Å
79I45.8Very low44.1Very low123 Ų123117 Ų11763%0.63170%0.703SS**  trans-58.7100.2155.914.3171.1000107.2A77 C81A77-I79 PolarHBondContact O-N 3.2Å; I79-C81 PolarHBondContact O-N 3.47Å
80K40.4Very low44.1Very low178 Ų178116 Ų11677%0.77470%0.699SS**  trans-6584.2169.9-76.3179.2178.5174.60107.8N78 K82N78-K80 VanDerWaalsContact C-N 3.3Å; N78-K80 PolarHBondContact O-N 3.27Å; K80-K82 PolarHBondContact O-N 3.18Å
81C37.4Very low43.9Very low61 Ų61112.2 Ų112.241%0.41269%0.69SS.*  trans-63.4109167-111.70000107.8I79 L83 C88I79-C81 PolarHBondContact O-N 3.47Å; C81-L83 PolarHBondContact O-N 3.5Å; C81-L83 VanDerWaalsContact O-N 3.07Å; C81-C88 HydrophobicContact CB-CB 4.49Å; C81-C88 WeakPolarHBondContact CB-SG 3.49Å; C81-C88 WeakPolarHBondContact SG-CB 3.34Å; C81-C88 CovalentContact SG-SG 2.04Å; C81-C88 PolarHBondContact SG-SG 2.97Å
82K43.1Very low43.8Very low182 Ų182114.9 Ų114.979%0.79169%0.689SS**  trans-71.4103.4169.7-165.1173.1-176.7178.80106.4K80 S84K80-K82 PolarHBondContact O-N 3.18Å; K82-S84 PolarHBondContact O-N 3.06Å
83L43.2Very low43.9Very low155 Ų155116.4 Ų116.481%0.81269%0.688SS**  trans-67.276.7-176.7-153.391.8000110.3C81 G85C81-L83 PolarHBondContact O-N 3.5Å; C81-L83 VanDerWaalsContact O-N 3.07Å; L83-G85 PolarHBondContact O-N 3.02Å
84S43Very low43.7Very low88 Ų88118.1 Ų118.162%0.61569%0.69SS**  trans-84.888.1168-76.20000108.3K82 L86 S87K82-S84 PolarHBondContact O-N 3.06Å; S84-L86 PolarHBondContact O-N 3.5Å; S84-S87 PolarHBondContact O-N 2.89Å
85G45.3Very low43.7Very low69 Ų69119.4 Ų119.471%0.71169%0.687SS**THydrogen-bonded Turntrans53.448.1155.300000118.3L83L83-G85 PolarHBondContact O-N 3.02Å
86L46.4Very low43.3Very low171 Ų171122.2 Ų122.290%0.89569%0.69SS**THydrogen-bonded Turntrans100-4.9172.8-66.1128.5000118.3S84S84-L86 PolarHBondContact O-N 3.5Å
87S40.5Very low42.8Very low76 Ų76126.2 Ų126.253%0.53170%0.697SS.*  trans-129.7116.3174.2-75.20000112S84 L89S84-S87 PolarHBondContact O-N 2.89Å; S87-L89 VanDerWaalsContact C-N 3.29Å; S87-L89 PolarHBondContact O-N 3.48Å
88C40.1Very low42.4Very low78 Ų78130.8 Ų130.853%0.52770%0.702SS.*  trans-6890.8161.5-96.90000107.5C81 P90C81-C88 HydrophobicContact CB-CB 4.49Å; C81-C88 WeakPolarHBondContact CB-SG 3.49Å; C81-C88 WeakPolarHBondContact SG-CB 3.34Å; C81-C88 CovalentContact SG-SG 2.04Å; C81-C88 PolarHBondContact SG-SG 2.97Å; C88-P90 WeakPolarHBondContact O-CD 3.41Å
89L40.8Very low42.3Very low140 Ų140129.5 Ų129.573%0.73370%0.703SS**  trans-73.9120.4162-101.486000107.4S87 T91S87-L89 VanDerWaalsContact C-N 3.29Å; S87-L89 PolarHBondContact O-N 3.48Å; L89-T91 PolarHBondContact O-N 3.36Å
90P44.9Very low42Very low99 Ų99133.1 Ų133.164%0.64371%0.714SS**  trans-57.8125.3165.124.8-30.6000107.2C88 Q92C88-P90 WeakPolarHBondContact O-CD 3.41Å; P90-Q92 PolarHBondContact O-N 3.24Å
91T42.3Very low42.3Very low88 Ų88130.3 Ų130.354%0.5472%0.718SS.*  trans-55.7116175.5200000108.1L89 S93 E94L89-T91 PolarHBondContact O-N 3.36Å; T91-S93 PolarHBondContact O-N 3.27Å; T91-E94 PolarHBondContact O-N 3.45Å; T91-E94 VanDerWaalsContact O-N 3.11Å
92Q44.2Very low42.3Very low176 Ų176132.3 Ų132.382%0.82273%0.732SS**G310 helixtrans-57.6-10.3-173.3-162.61693.500113.6P90 E94P90-Q92 PolarHBondContact O-N 3.24Å; Q92-E94 VanDerWaalsContact C-N 3.33Å; Q92-E94 PolarHBondContact O-N 3.13Å
93S41.9Very low42.7Very low102 Ų102129.5 Ų129.571%0.71373%0.733SS**G310 helixtrans-76.9-6.2175.452.40000115.4T91T91-S93 PolarHBondContact O-N 3.27Å
94E41.5Very low42.6Very low139 Ų139128.5 Ų128.565%0.6573%0.732SS**G310 helixtrans-111.80.5-178.8-116.6175.2136.500115T91 Q92 E96T91-E94 PolarHBondContact O-N 3.45Å; T91-E94 VanDerWaalsContact O-N 3.11Å; Q92-E94 VanDerWaalsContact C-N 3.33Å; Q92-E94 PolarHBondContact O-N 3.13Å; E94-E96 PolarHBondContact O-N 3.41Å; E94-E96 VanDerWaalsContact O-N 3.12Å
95I46.9Very low42.4Very low129 Ų129129.5 Ų129.566%0.66274%0.737SS**THydrogen-bonded Turntrans-67.9-10.3177.4-63.8173.1000111.8
96E38.9Very low42.3Very low173 Ų173132.2 Ų132.281%0.80874%0.742SS**THydrogen-bonded Turntrans-92.4-4.3-171.9-122.1173.3129.600116.5E94E94-E96 PolarHBondContact O-N 3.41Å; E94-E96 VanDerWaalsContact O-N 3.12Å
97F40.3Very low42.5Very low188 Ų188129 Ų12983%0.82574%0.74SS**SBendtrans-123.944.4-174.3-81.4-77.8000115.9
98Q40.6Very low42.5Very low195 Ų195131 Ų13191%0.91175%0.754SS**  trans-142.457.5153.6-74-158.35.300112
99S40.3Very low42.6Very low109 Ų109137 Ų13776%0.76277%0.774SS**  trans-74.4123.4150.1178.10000108.4
100K40.5Very low42.5Very low199 Ų199135.1 Ų135.187%0.86577%0.773SS**  trans76.191.1150.1-149.3172.1-166.3177.80117.3
101S45.4Very low42.1Very low120 Ų120137.5 Ų137.584%0.83978%0.78SS**  trans-133.5124.9145.968.80000110.5
102S38.2Very low41.8Very low103 Ų103143.1 Ų143.172%0.7280%0.797SS**PPolyproline II helixtrans-73.2135.9-177.4-171.50000110V104S102-V104 PolarHBondContact O-N 3.24Å
103P51.3Low41.3Very low123 Ų123137.8 Ų137.880%0.79979%0.79SS**PPolyproline II helixtrans-64.2129.4170.3-15.929.3000110.4
104V41.3Very low41.4Very low133 Ų133140.6 Ų140.681%0.80680%0.795SS**PPolyproline II helixtrans-75.3143.1179.7170.10000110.1S102S102-V104 PolarHBondContact O-N 3.24Å
105P38.4Very low41.6Very low109 Ų109140.9 Ų140.971%0.70880%0.801SS**PPolyproline II helixtrans-66.8155.7-171.423.8-34.7000115.6
106P44.9Very low41.2Very low126 Ų126147.5 Ų147.582%0.81883%0.829SS**PPolyproline II helixtrans-66.5144.9-173.626-34.2000113.8
107A49.6Very low41.4Very low104 Ų104146.2 Ų146.286%0.8683%0.83SS**PPolyproline II helixtrans-65133.5-179.100000112.1
108S41.3Very low41.4Very low118 Ų118144 Ų14483%0.82583%0.83SS**PPolyproline II helixtrans-61.1137.4-176.5-48.10000113.4S110S108-S110 PolarHBondContact O-N 3.14Å
109E41.8Very low41.5Very low203 Ų203141.2 Ų141.295%0.94983%0.826SS**PPolyproline II helixtrans-54.5120.4171.4-62.6171.1157.200110.4
110S38Very low41.5Very low101 Ų101143.1 Ų143.171%0.70683%0.829SS**  trans-135.4107.6171.9-162.10000110.7S108S108-S110 PolarHBondContact O-N 3.14Å
111N35.7Very low41.6Very low149 Ų149139.6 Ų139.680%0.79783%0.827SS**  trans63.5106146.9-86.4-40.5000119.7
112K37.4Very low41.4Very low207 Ų207140.9 Ų140.990%0.983%0.826SS**  171.3108.4124.1-99.9171.5172.6-177.30106.1
113G33.1Very low41.6Very low64 Ų64143.6 Ų143.666%0.6683%0.834SS**  92.6158.176.500000108.9
114I43.4Very low40.8Very low160 Ų160145.2 Ų145.282%0.82184%0.837SS**  trans94119.4179.9-50.6157.9000111.7
115N45.6Very low40.8Very low146 Ų146146.2 Ų146.278%0.78184%0.839SS**  cis-158.5157.9-3.4-98.1-14.9000106.3
116E40.3Very low41Very low267 Ų267149.5 Ų149.5100%1.24885%0.851SS**  trans-39.20165.4-70.8166.2104.900115.3

Retrieved 116 of 116 residues in 45.4 ms (Link to these results)