A0A077Z6T3_TRITR Loading...

Collagen protein

AlphaFold DB , UniProt , Accession A0A077Z6T3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 358 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
1M58.6Low70.2Confident221 Ų221121.2 Ų121.2100%1.08965%0.645SS**  0-260-64-165.8-170.500114T4M1-T4 PolarHBondContact O-OG1 3.25Å
2A59.8Low71.6Confident82 Ų82119.5 Ų119.568%0.67863%0.634SS**Hα-helixtrans-68.1-34.2-179.200000115.1T4 S5 A6A2-T4 PolarHBondContact O-N 3.25Å; A2-S5 PolarHBondContact O-N 3.43Å; A2-A6 PolarHBondContact O-N 3.2Å
3F56.7Low72.9Confident195 Ų195120 Ų12086%0.85564%0.636SS**Hα-helixtrans-69.1-26.8-177-95.4-88.6000114.7
4T61.9Low74.2Confident111 Ų111115.8 Ų115.868%0.68163%0.627SS**Hα-helixtrans-75.3-29.8176.8460000111.9M1 A2 G8M1-T4 PolarHBondContact O-OG1 3.25Å; A2-T4 PolarHBondContact O-N 3.25Å; T4-G8 PolarHBondContact O-N 3.36Å
5S64Low75.2Confident76 Ų76117.4 Ų117.453%0.53163%0.629SS.*Hα-helixtrans-68.1-45.8177.3-159.70000112A2 K7 G8 E9A2-S5 PolarHBondContact O-N 3.43Å; S5-K7 VanDerWaalsContact C-N 3.31Å; S5-K7 PolarHBondContact O-N 3.26Å; S5-G8 PolarHBondContact O-N 3.12Å; S5-E9 PolarHBondContact O-N 2.89Å; S5-E9 VanDerWaalsContact O-N 3.11Å
6A70.2Confident76.3Confident50 Ų50117.6 Ų117.641%0.41363%0.625SS.*Hα-helixtrans-67.3-29.8-17900000113.3A2 K10A2-A6 PolarHBondContact O-N 3.2Å; A6-K10 PolarHBondContact O-N 3.26Å
7K75.6Confident77.2Confident150 Ų150117.4 Ų117.465%0.65262%0.623SS**Hα-helixtrans-73.3-36.9175.6-164.3173.3-178.31800111.6S5 Q11S5-K7 VanDerWaalsContact C-N 3.31Å; S5-K7 PolarHBondContact O-N 3.26Å; K7-Q11 PolarHBondContact O-N 3.2Å
8G76.7Confident78Confident27 Ų27120 Ų12028%0.27862%0.624SS.*Hα-helixtrans-63.7-47.2174.700000112.7T4 S5 K10 Q11 I12T4-G8 PolarHBondContact O-N 3.36Å; S5-G8 PolarHBondContact O-N 3.12Å; G8-K10 PolarHBondContact O-N 3.36Å; G8-Q11 PolarHBondContact O-N 3.39Å; G8-I12 VanDerWaalsContact O-CG1 3.31Å; G8-I12 WeakPolarHBondContact O-CG1 3.49Å; G8-I12 PolarHBondContact O-N 3.38Å
9E81Confident78.7Confident129 Ų129115.9 Ų115.960%0.60361%0.607SS**Hα-helixtrans-60.8-41.5178.6-75.3-177.1145.600112.9S5 Q11 I12 L13S5-E9 PolarHBondContact O-N 2.89Å; S5-E9 VanDerWaalsContact O-N 3.11Å; E9-Q11 VanDerWaalsContact C-N 3.35Å; E9-Q11 PolarHBondContact O-N 3.35Å; E9-I12 PolarHBondContact O-N 3.29Å; E9-L13 PolarHBondContact O-N 3.26Å
10K83.5Confident79.4Confident162 Ų162112.7 Ų112.770%0.70460%0.598SS**Hα-helixtrans-64.5-37.8176.3-74.5-171.9178.6-173.60112.7A6 G8 A14A6-K10 PolarHBondContact O-N 3.26Å; G8-K10 PolarHBondContact O-N 3.36Å; K10-A14 WeakPolarHBondContact O-CB 3.37Å; K10-A14 PolarHBondContact O-N 3.35Å
11Q84.4Confident80Confident130 Ų130113 Ų11361%0.60759%0.594SS**Hα-helixtrans-66.8-43.4176-80.5-176.7-56.700111.6K7 G8 E9 L13 A14 E15K7-Q11 PolarHBondContact O-N 3.2Å; G8-Q11 PolarHBondContact O-N 3.39Å; E9-Q11 VanDerWaalsContact C-N 3.35Å; E9-Q11 PolarHBondContact O-N 3.35Å; Q11-L13 PolarHBondContact O-N 3.37Å; Q11-A14 PolarHBondContact O-N 3.38Å; Q11-E15 WeakPolarHBondContact O-CB 3.48Å; Q11-E15 PolarHBondContact O-N 2.81Å
12I86.6Confident81.7Confident101 Ų101106.5 Ų106.552%0.51856%0.563SS.*Hα-helixtrans-62.2-45.3177.5-63163000110.3G8 E9 A14 E15 Q16G8-I12 VanDerWaalsContact O-CG1 3.31Å; G8-I12 WeakPolarHBondContact O-CG1 3.49Å; G8-I12 PolarHBondContact O-N 3.38Å; E9-I12 PolarHBondContact O-N 3.29Å; I12-A14 VanDerWaalsContact C-N 3.35Å; I12-A14 PolarHBondContact O-N 3.27Å; I12-E15 PolarHBondContact O-N 3.46Å; I12-Q16 HydrophobicContact CG2-CG 4.24Å; I12-Q16 WeakPolarHBondContact O-CB 3.31Å; I12-Q16 WeakPolarHBondContact O-CG 3.37Å; I12-Q16 PolarHBondContact O-N 3.45Å
13L89.3Confident83.3Confident126 Ų126109 Ų10966%0.6656%0.559SS**Hα-helixtrans-61.1-40.4176.4-90.4163000112.9E9 Q11 L17E9-L13 PolarHBondContact O-N 3.26Å; Q11-L13 PolarHBondContact O-N 3.37Å; L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 PolarHBondContact O-N 3.38Å
14A90.1Very high85Confident61 Ų61104.3 Ų104.350%0.50454%0.539SS..Hα-helixtrans-65.8-40.9177.200000112K10 Q11 I12 L17 Y18K10-A14 WeakPolarHBondContact O-CB 3.37Å; K10-A14 PolarHBondContact O-N 3.35Å; Q11-A14 PolarHBondContact O-N 3.38Å; I12-A14 VanDerWaalsContact C-N 3.35Å; I12-A14 PolarHBondContact O-N 3.27Å; A14-L17 PolarHBondContact O-N 3.14Å; A14-Y18 WeakPolarHBondContact O-CB 3.17Å; A14-Y18 PolarHBondContact O-N 3.23Å
15E90.1Very high86.5Confident140 Ų140101.1 Ų101.165%0.65452%0.524SS*.Hα-helixtrans-68.7-40.3177.7-162.3175.8-173.300111.7Q11 I12 Y18 S19Q11-E15 WeakPolarHBondContact O-CB 3.48Å; Q11-E15 PolarHBondContact O-N 2.81Å; I12-E15 PolarHBondContact O-N 3.46Å; E15-Y18 PolarHBondContact O-N 3.07Å; E15-S19 WeakPolarHBondContact O-CB 3.43Å; E15-S19 PolarHBondContact O-N 3.5Å
16Q91.5Very high87.9Confident121 Ų121103 Ų10357%0.56553%0.525SS*.Hα-helixtrans-62-46.1172.7-69.3-66.9-32.500111.4I12 Y18 S19 A20I12-Q16 HydrophobicContact CG2-CG 4.24Å; I12-Q16 WeakPolarHBondContact O-CB 3.31Å; I12-Q16 WeakPolarHBondContact O-CG 3.37Å; I12-Q16 PolarHBondContact O-N 3.45Å; Q16-Y18 PolarHBondContact O-N 3.11Å; Q16-S19 PolarHBondContact O-N 3.46Å; Q16-S19 PolarHBondContact O-OG 3.47Å; Q16-A20 WeakPolarHBondContact O-CB 3.45Å; Q16-A20 PolarHBondContact O-N 3.4Å
17L91.8Very high89.1Confident113 Ų113105.5 Ų105.559%0.59253%0.531SS*.Hα-helixtrans-62.1-41.7176.9-172.471.4000111.7L13 A14 A20 K21L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 PolarHBondContact O-N 3.38Å; A14-L17 PolarHBondContact O-N 3.14Å; L17-A20 PolarHBondContact O-N 3.42Å; L17-K21 WeakPolarHBondContact O-CB 3.47Å; L17-K21 VanDerWaalsContact O-CG 3.3Å; L17-K21 WeakPolarHBondContact O-CG 3.49Å; L17-K21 PolarHBondContact O-N 2.98Å
18Y91.7Very high90Very high165 Ų165103.6 Ų103.665%0.64753%0.527SS*.Hα-helixtrans-63-45.2175.6-176.3-100.8000111.6A14 E15 Q16 A20 K21 L22A14-Y18 WeakPolarHBondContact O-CB 3.17Å; A14-Y18 PolarHBondContact O-N 3.23Å; E15-Y18 PolarHBondContact O-N 3.07Å; Q16-Y18 PolarHBondContact O-N 3.11Å; Y18-A20 VanDerWaalsContact C-N 3.33Å; Y18-A20 PolarHBondContact O-N 3.41Å; Y18-K21 PolarHBondContact O-N 3.28Å; Y18-L22 WeakPolarHBondContact O-CB 3.39Å; Y18-L22 PolarHBondContact O-N 3.34Å
19S91.4Very high90.9Very high42 Ų42111.7 Ų111.729%0.29455%0.549SS..Hα-helixtrans-63.8-36.6177.178.20000112.6E15 Q16 L22 K23E15-S19 WeakPolarHBondContact O-CB 3.43Å; E15-S19 PolarHBondContact O-N 3.5Å; Q16-S19 PolarHBondContact O-N 3.46Å; Q16-S19 PolarHBondContact O-OG 3.47Å; S19-L22 PolarHBondContact O-N 3.41Å; S19-K23 WeakPolarHBondContact O-CG 3.4Å; S19-K23 PolarHBondContact O-N 3.04Å
20A92.5Very high91.5Very high52 Ų52109.9 Ų109.943%0.4354%0.543SS..Hα-helixtrans-67.7-42.4175.500000111.5Q16 L17 Y18 L22 K23 E24Q16-A20 WeakPolarHBondContact O-CB 3.45Å; Q16-A20 PolarHBondContact O-N 3.4Å; L17-A20 PolarHBondContact O-N 3.42Å; Y18-A20 VanDerWaalsContact C-N 3.33Å; Y18-A20 PolarHBondContact O-N 3.41Å; A20-L22 VanDerWaalsContact C-N 3.31Å; A20-L22 PolarHBondContact O-N 3.38Å; A20-K23 PolarHBondContact O-N 3.38Å; A20-E24 WeakPolarHBondContact O-CB 3.46Å; A20-E24 PolarHBondContact O-N 3.23Å
21K93.3Very high92.1Very high118 Ų118107 Ų10751%0.51354%0.539SS..Hα-helixtrans-65.2-34.7175.2-72.8-74.2160.9-155.70112.5L17 Y18 E24 A25L17-K21 WeakPolarHBondContact O-CB 3.47Å; L17-K21 VanDerWaalsContact O-CG 3.3Å; L17-K21 WeakPolarHBondContact O-CG 3.49Å; L17-K21 PolarHBondContact O-N 2.98Å; Y18-K21 PolarHBondContact O-N 3.28Å; K21-E24 IonicContact NZ-OE2 2.76Å; K21-E24 PolarHBondContact NZ-OE2 3.28Å; K21-A25 WeakPolarHBondContact O-CB 3.43Å; K21-A25 PolarHBondContact O-N 3.44Å
22L93Very high92.6Very high86 Ų86103.3 Ų103.345%0.4553%0.531SS..Hα-helixtrans-67.1-45.6175.3-16570.3000111.3Y18 S19 A20 E24 A25 E26Y18-L22 WeakPolarHBondContact O-CB 3.39Å; Y18-L22 PolarHBondContact O-N 3.34Å; S19-L22 PolarHBondContact O-N 3.41Å; A20-L22 VanDerWaalsContact C-N 3.31Å; A20-L22 PolarHBondContact O-N 3.38Å; L22-E24 PolarHBondContact O-N 3.43Å; L22-A25 PolarHBondContact O-N 3.32Å; L22-E26 WeakPolarHBondContact O-CG 3.31Å; L22-E26 PolarHBondContact O-N 3.23Å
23K93.3Very high93.1Very high133 Ų133104.8 Ų104.858%0.57853%0.533SS*.Hα-helixtrans-60.4-44174.5-73.9177-179175.20112.3S19 A20 A25 E26 D27S19-K23 WeakPolarHBondContact O-CG 3.4Å; S19-K23 PolarHBondContact O-N 3.04Å; A20-K23 PolarHBondContact O-N 3.38Å; K23-A25 VanDerWaalsContact C-N 3.3Å; K23-A25 PolarHBondContact O-N 3.12Å; K23-E26 PolarHBondContact O-N 3.18Å; K23-D27 PolarHBondContact O-N 2.66Å
24E93.8Very high93.5Very high97 Ų97104 Ų10445%0.45353%0.525SS..Hα-helixtrans-59.7-40.7175.9-170.3179.3-17000111.4A20 K21 L22 I28A20-E24 WeakPolarHBondContact O-CB 3.46Å; A20-E24 PolarHBondContact O-N 3.23Å; K21-E24 IonicContact NZ-OE2 2.76Å; K21-E24 PolarHBondContact NZ-OE2 3.28Å; L22-E24 PolarHBondContact O-N 3.43Å; E24-I28 HydrophobicContact CG-CD1 4.28Å; E24-I28 WeakPolarHBondContact O-CD1 3.44Å; E24-I28 WeakPolarHBondContact O-CG1 3.42Å; E24-I28 PolarHBondContact O-N 3.48Å; E24-I28 VanDerWaalsContact O-N 3.08Å
25A93.1Very high93.8Very high44 Ų44103.9 Ų103.936%0.36452%0.524SS..Hα-helixtrans-68.8-36.7175.800000113.1K21 L22 K23 R29K21-A25 WeakPolarHBondContact O-CB 3.43Å; K21-A25 PolarHBondContact O-N 3.44Å; L22-A25 PolarHBondContact O-N 3.32Å; K23-A25 VanDerWaalsContact C-N 3.3Å; K23-A25 PolarHBondContact O-N 3.12Å; A25-R29 VanDerWaalsContact O-CG 3.31Å; A25-R29 WeakPolarHBondContact O-CG 3.29Å; A25-R29 PolarHBondContact O-N 3.4Å; A25-R29 VanDerWaalsContact O-N 3.08Å
26E94Very high94.2Very high116 Ų116101.4 Ų101.454%0.54252%0.518SS..Hα-helixtrans-66.6-43.2174.7-73.7-177.6156.600111.8L22 K23 I28 R29 L30L22-E26 WeakPolarHBondContact O-CG 3.31Å; L22-E26 PolarHBondContact O-N 3.23Å; K23-E26 PolarHBondContact O-N 3.18Å; E26-I28 PolarHBondContact O-N 3.39Å; E26-R29 WeakPolarHBondContact O-CB 3.48Å; E26-R29 PolarHBondContact O-N 3.31Å; E26-L30 WeakPolarHBondContact O-CB 3.25Å; E26-L30 PolarHBondContact O-N 3.49Å
27D93.8Very high94.4Very high103 Ų10398.3 Ų98.355%0.55151%0.507SS*.Hα-helixtrans-62.2-43.7176.4-76.7-20.1000111.4K23 R29 L30 V31K23-D27 PolarHBondContact O-N 2.66Å; D27-R29 VanDerWaalsContact C-N 3.33Å; D27-R29 PolarHBondContact O-N 2.68Å; D27-L30 PolarHBondContact O-N 3.42Å; D27-V31 WeakPolarHBondContact O-CG2 3.27Å; D27-V31 PolarHBondContact O-N 3.38Å
28I94.3Very high94.7Very high110 Ų11098.4 Ų98.456%0.56451%0.508SS*.Hα-helixtrans-61.9-41.6175.9-68.1164.9000111E24 E26 L30 V31 A32E24-I28 HydrophobicContact CG-CD1 4.28Å; E24-I28 WeakPolarHBondContact O-CD1 3.44Å; E24-I28 WeakPolarHBondContact O-CG1 3.42Å; E24-I28 PolarHBondContact O-N 3.48Å; E24-I28 VanDerWaalsContact O-N 3.08Å; E26-I28 PolarHBondContact O-N 3.39Å; I28-L30 VanDerWaalsContact C-N 3.34Å; I28-V31 PolarHBondContact O-N 2.92Å; I28-A32 WeakPolarHBondContact O-CB 3.47Å; I28-A32 PolarHBondContact O-N 3.39Å
29R95.5Very high95Very high197 Ų19793.3 Ų93.374%0.74350%0.496SS*.Hα-helixtrans-63.9-40.4176.2-76.6176.7178-164.70.5111.9A25 E26 D27 A32 F33A25-R29 VanDerWaalsContact O-CG 3.31Å; A25-R29 WeakPolarHBondContact O-CG 3.29Å; A25-R29 PolarHBondContact O-N 3.4Å; A25-R29 VanDerWaalsContact O-N 3.08Å; E26-R29 WeakPolarHBondContact O-CB 3.48Å; E26-R29 PolarHBondContact O-N 3.31Å; D27-R29 VanDerWaalsContact C-N 3.33Å; D27-R29 PolarHBondContact O-N 2.68Å; R29-A32 PolarHBondContact O-N 3.44Å; R29-F33 PolarHBondContact O-N 3.05Å
30L94.7Very high95.3Very high91 Ų9194.7 Ų94.748%0.47650%0.503SS..Hα-helixtrans-64.5-45.8178-173.765.6000111.1E26 D27 I28 A32 F33 F34E26-L30 WeakPolarHBondContact O-CB 3.25Å; E26-L30 PolarHBondContact O-N 3.49Å; D27-L30 PolarHBondContact O-N 3.42Å; I28-L30 VanDerWaalsContact C-N 3.34Å; L30-A32 VanDerWaalsContact C-N 3.35Å; L30-A32 PolarHBondContact O-N 3.41Å; L30-F33 PolarHBondContact O-N 3.38Å; L30-F34 HydrophobicContact CD1-CD2 4.11Å; L30-F34 HydrophobicContact CD1-CE2 3.53Å; L30-F34 HydrophobicContact CD1-CZ 4.33Å; L30-F34 HydrophobicContact CD2-CE2 4.16Å; L30-F34 HydrophobicContact CG-CD2 3.92Å; L30-F34 HydrophobicContact CG-CE2 3.59Å; L30-F34 WeakPolarHBondContact O-CD2 3.47Å; L30-F34 PolarHBondContact O-N 2.76Å
31V95.8Very high95.5Very high101 Ų10196.4 Ų96.461%0.61251%0.508SS*.Hα-helixtrans-61-43.5175.3173.20000111.1D27 I28 F33 F34 A35D27-V31 WeakPolarHBondContact O-CG2 3.27Å; D27-V31 PolarHBondContact O-N 3.38Å; I28-V31 PolarHBondContact O-N 2.92Å; V31-F33 VanDerWaalsContact C-N 3.34Å; V31-F33 PolarHBondContact O-N 3.23Å; V31-F34 PolarHBondContact O-N 3.39Å; V31-A35 WeakPolarHBondContact O-CB 3.46Å; V31-A35 PolarHBondContact O-N 3.46Å
32A95.8Very high95.7Very high52 Ų5294.7 Ų94.743%0.4351%0.508SS..Hα-helixtrans-61.5-41.7176.600000112.1I28 R29 L30 A35 V36I28-A32 WeakPolarHBondContact O-CB 3.47Å; I28-A32 PolarHBondContact O-N 3.39Å; R29-A32 PolarHBondContact O-N 3.44Å; L30-A32 VanDerWaalsContact C-N 3.35Å; L30-A32 PolarHBondContact O-N 3.41Å; A32-A35 PolarHBondContact O-N 3.44Å; A32-V36 WeakPolarHBondContact O-CG2 3.34Å; A32-V36 PolarHBondContact O-N 2.91Å; A32-V36 VanDerWaalsContact O-N 3.08Å
33F96.9Very high95.9Very high132 Ų13294.9 Ų94.958%0.57951%0.512SS*.Hα-helixtrans-61.6-48.2175.6-178.6-97.1000111.6R29 L30 V31 A35 V36 V37R29-F33 PolarHBondContact O-N 3.05Å; L30-F33 PolarHBondContact O-N 3.38Å; V31-F33 VanDerWaalsContact C-N 3.34Å; V31-F33 PolarHBondContact O-N 3.23Å; F33-A35 VanDerWaalsContact C-N 3.32Å; F33-A35 PolarHBondContact O-N 3.27Å; F33-V36 PolarHBondContact O-N 3.4Å; F33-V37 HydrophobicContact CD1-CG2 4.06Å; F33-V37 HydrophobicContact CE1-CG2 3.66Å; F33-V37 HydrophobicContact CE2-CG2 4.29Å; F33-V37 HydrophobicContact CZ-CG2 3.79Å; F33-V37 WeakPolarHBondContact O-CG2 3.36Å; F33-V37 PolarHBondContact O-N 3.39Å
34F96.9Very high96.1Very high111 Ų11192.6 Ų92.649%0.48751%0.509SS..Hα-helixtrans-62.2-38.1177-77.5-63.9000112.7L30 V31 V36 V37 L38L30-F34 HydrophobicContact CD1-CD2 4.11Å; L30-F34 HydrophobicContact CD1-CE2 3.53Å; L30-F34 HydrophobicContact CD1-CZ 4.33Å; L30-F34 HydrophobicContact CD2-CE2 4.16Å; L30-F34 HydrophobicContact CG-CD2 3.92Å; L30-F34 HydrophobicContact CG-CE2 3.59Å; L30-F34 WeakPolarHBondContact O-CD2 3.47Å; L30-F34 PolarHBondContact O-N 2.76Å; V31-F34 PolarHBondContact O-N 3.39Å; F34-V36 VanDerWaalsContact C-N 3.35Å; F34-V36 PolarHBondContact O-N 2.69Å; F34-V37 PolarHBondContact O-N 3.45Å; F34-L38 WeakPolarHBondContact O-CB 3.41Å; F34-L38 VanDerWaalsContact O-CG 3.27Å; F34-L38 WeakPolarHBondContact O-CG 3.28Å; F34-L38 PolarHBondContact O-N 3.4Å
35A96.7Very high96.3Very high57 Ų5790.4 Ų90.447%0.47151%0.508SS..Hα-helixtrans-62.2-41.3176.200000112.2V31 A32 F33 S39V31-A35 WeakPolarHBondContact O-CB 3.46Å; V31-A35 PolarHBondContact O-N 3.46Å; A32-A35 PolarHBondContact O-N 3.44Å; F33-A35 VanDerWaalsContact C-N 3.32Å; F33-A35 PolarHBondContact O-N 3.27Å; A35-S39 WeakPolarHBondContact O-CB 3.44Å; A35-S39 PolarHBondContact O-N 2.93Å; A35-S39 PolarHBondContact O-OG 3.21Å
36V97.5Very high96.5Very high88 Ų8891.8 Ų91.853%0.53351%0.513SS..Hα-helixtrans-68.7-40.7175.71750000111.5A32 F33 F34 S39 T40A32-V36 WeakPolarHBondContact O-CG2 3.34Å; A32-V36 PolarHBondContact O-N 2.91Å; A32-V36 VanDerWaalsContact O-N 3.08Å; F33-V36 PolarHBondContact O-N 3.4Å; F34-V36 VanDerWaalsContact C-N 3.35Å; F34-V36 PolarHBondContact O-N 2.69Å; V36-S39 WeakPolarHBondContact CA-OG 3.49Å; V36-S39 PolarHBondContact O-N 3.22Å; V36-S39 PolarHBondContact O-OG 3.48Å; V36-T40 HydrophobicContact CG1-CG2 4.42Å; V36-T40 WeakPolarHBondContact O-CB 3.28Å; V36-T40 VanDerWaalsContact O-CG2 3.28Å; V36-T40 WeakPolarHBondContact O-CG2 3.49Å; V36-T40 PolarHBondContact O-N 2.94Å; V36-T40 PolarHBondContact O-OG1 3.01Å
37V97.6Very high96.6Very high56 Ų5691 Ų9134%0.33952%0.516SS..Hα-helixtrans-64.9-43.5176.3173.80000110.9F33 F34 T40 V41F33-V37 HydrophobicContact CD1-CG2 4.06Å; F33-V37 HydrophobicContact CE1-CG2 3.66Å; F33-V37 HydrophobicContact CE2-CG2 4.29Å; F33-V37 HydrophobicContact CZ-CG2 3.79Å; F33-V37 WeakPolarHBondContact O-CG2 3.36Å; F33-V37 PolarHBondContact O-N 3.39Å; F34-V37 PolarHBondContact O-N 3.45Å; V37-T40 WeakPolarHBondContact CA-OG1 3.4Å; V37-T40 PolarHBondContact O-N 3.2Å; V37-T40 PolarHBondContact O-OG1 3.35Å; V37-V41 HydrophobicContact CG1-CG2 4.41Å; V37-V41 WeakPolarHBondContact O-CB 3.37Å; V37-V41 VanDerWaalsContact O-CG2 3.22Å; V37-V41 WeakPolarHBondContact O-CG2 3.37Å; V37-V41 PolarHBondContact O-N 3Å
38L97.5Very high96.7Very high116 Ų11691.7 Ų91.761%0.60752%0.519SS*.Hα-helixtrans-64.8-41.6177.3-72.1172.4000111.9F34 V41 T42F34-L38 WeakPolarHBondContact O-CB 3.41Å; F34-L38 VanDerWaalsContact O-CG 3.27Å; F34-L38 WeakPolarHBondContact O-CG 3.28Å; F34-L38 PolarHBondContact O-N 3.4Å; L38-V41 PolarHBondContact O-N 3.47Å; L38-T42 VanDerWaalsContact O-CG2 3.31Å; L38-T42 WeakPolarHBondContact O-CG2 3.34Å; L38-T42 PolarHBondContact O-N 3.48Å; L38-T42 PolarHBondContact O-OG1 3.4Å
39S97.3Very high96.8Very high57 Ų5789.5 Ų89.540%0.39951%0.514SS..Hα-helixtrans-67-38.6177.968.90000112.6A35 V36 T42 V43A35-S39 WeakPolarHBondContact O-CB 3.44Å; A35-S39 PolarHBondContact O-N 2.93Å; A35-S39 PolarHBondContact O-OG 3.21Å; V36-S39 WeakPolarHBondContact CA-OG 3.49Å; V36-S39 PolarHBondContact O-N 3.22Å; V36-S39 PolarHBondContact O-OG 3.48Å; S39-T42 WeakPolarHBondContact CA-OG1 3.28Å; S39-T42 PolarHBondContact O-N 3.04Å; S39-T42 PolarHBondContact O-OG1 3.4Å; S39-V43 WeakPolarHBondContact O-CB 3.41Å; S39-V43 VanDerWaalsContact O-CG2 3.23Å; S39-V43 WeakPolarHBondContact O-CG2 3.47Å; S39-V43 PolarHBondContact O-N 3.17Å
40T97.4Very high96.9Very high71 Ų7184.6 Ų84.644%0.43651%0.505SS..Hα-helixtrans-66.7-42.5175.350.80000111.6V36 V37 V43 V44V36-T40 HydrophobicContact CG1-CG2 4.42Å; V36-T40 WeakPolarHBondContact O-CB 3.28Å; V36-T40 VanDerWaalsContact O-CG2 3.28Å; V36-T40 WeakPolarHBondContact O-CG2 3.49Å; V36-T40 PolarHBondContact O-N 2.94Å; V36-T40 PolarHBondContact O-OG1 3.01Å; V37-T40 WeakPolarHBondContact CA-OG1 3.4Å; V37-T40 PolarHBondContact O-N 3.2Å; V37-T40 PolarHBondContact O-OG1 3.35Å; T40-V43 PolarHBondContact O-N 3.02Å; T40-V44 VanDerWaalsContact O-CG2 3.27Å; T40-V44 WeakPolarHBondContact O-CG2 3.34Å; T40-V44 PolarHBondContact O-N 3.34Å
41V97.8Very high97Very high89 Ų8984.1 Ų84.154%0.53951%0.507SS..Hα-helixtrans-62.9-42.7176.1171.50000111.5V37 L38 V44 A45V37-V41 HydrophobicContact CG1-CG2 4.41Å; V37-V41 WeakPolarHBondContact O-CB 3.37Å; V37-V41 VanDerWaalsContact O-CG2 3.22Å; V37-V41 WeakPolarHBondContact O-CG2 3.37Å; V37-V41 PolarHBondContact O-N 3Å; L38-V41 PolarHBondContact O-N 3.47Å; V41-V44 PolarHBondContact O-N 3.09Å; V41-A45 WeakPolarHBondContact O-CB 3.45Å; V41-A45 PolarHBondContact O-N 3.42Å
42T97.1Very high97Very high82 Ų8287.1 Ų87.150%0.50351%0.513SS..Hα-helixtrans-66.5-41.8177.954.70000111.9L38 S39 V44 A45 C46L38-T42 VanDerWaalsContact O-CG2 3.31Å; L38-T42 WeakPolarHBondContact O-CG2 3.34Å; L38-T42 PolarHBondContact O-N 3.48Å; L38-T42 PolarHBondContact O-OG1 3.4Å; S39-T42 WeakPolarHBondContact CA-OG1 3.28Å; S39-T42 PolarHBondContact O-N 3.04Å; S39-T42 PolarHBondContact O-OG1 3.4Å; T42-V44 PolarHBondContact O-N 3.19Å; T42-A45 PolarHBondContact O-N 3.01Å; T42-C46 PolarHBondContact O-N 3.29Å; T42-C46 PolarHBondContact O-SG 3.43Å
43V97.8Very high97Very high90 Ų9090 Ų9055%0.54552%0.52SS..Hα-helixtrans-61.2-46.2175.5171.10000111S39 T40 A45 C46 V47S39-V43 WeakPolarHBondContact O-CB 3.41Å; S39-V43 VanDerWaalsContact O-CG2 3.23Å; S39-V43 WeakPolarHBondContact O-CG2 3.47Å; S39-V43 PolarHBondContact O-N 3.17Å; T40-V43 PolarHBondContact O-N 3.02Å; V43-A45 VanDerWaalsContact C-N 3.35Å; V43-A45 PolarHBondContact O-N 3.01Å; V43-C46 WeakPolarHBondContact O-CB 3.37Å; V43-C46 PolarHBondContact O-N 3.46Å; V43-V47 HydrophobicContact CG1-CG2 4.37Å; V43-V47 VanDerWaalsContact O-CG2 3.31Å; V43-V47 WeakPolarHBondContact O-CG2 2.96Å; V43-V47 PolarHBondContact O-N 3.47Å
44V97.5Very high97Very high84 Ų8490.9 Ų90.951%0.50952%0.521SS..Hα-helixtrans-62-42.6177.5172.10000111.2T40 V41 T42 C46 V47 I48T40-V44 VanDerWaalsContact O-CG2 3.27Å; T40-V44 WeakPolarHBondContact O-CG2 3.34Å; T40-V44 PolarHBondContact O-N 3.34Å; V41-V44 PolarHBondContact O-N 3.09Å; T42-V44 PolarHBondContact O-N 3.19Å; V44-C46 VanDerWaalsContact C-N 3.32Å; V44-C46 PolarHBondContact O-N 3.17Å; V44-V47 PolarHBondContact O-N 3.37Å; V44-I48 HydrophobicContact CG1-CD1 3.88Å; V44-I48 WeakPolarHBondContact O-CG1 3.49Å; V44-I48 PolarHBondContact O-N 3.26Å
45A97.2Very high96.9Very high52 Ų5287.2 Ų87.243%0.4352%0.515SS..Hα-helixtrans-61.9-38.6175.700000112.4V41 T42 V43 S49V41-A45 WeakPolarHBondContact O-CB 3.45Å; V41-A45 PolarHBondContact O-N 3.42Å; T42-A45 PolarHBondContact O-N 3.01Å; V43-A45 VanDerWaalsContact C-N 3.35Å; V43-A45 PolarHBondContact O-N 3.01Å; A45-S49 VanDerWaalsContact O-CB 3.26Å; A45-S49 WeakPolarHBondContact O-CB 3.26Å; A45-S49 PolarHBondContact O-N 3.47Å; A45-S49 PolarHBondContact O-OG 3.46Å
46C96.8Very high96.9Very high72 Ų7291.4 Ų91.449%0.48652%0.519SS..Hα-helixtrans-66.1-44174.1-700000111.9T42 V43 V44 I48 S49 V50T42-C46 PolarHBondContact O-N 3.29Å; T42-C46 PolarHBondContact O-SG 3.43Å; V43-C46 WeakPolarHBondContact O-CB 3.37Å; V43-C46 PolarHBondContact O-N 3.46Å; V44-C46 VanDerWaalsContact C-N 3.32Å; V44-C46 PolarHBondContact O-N 3.17Å; C46-I48 VanDerWaalsContact C-N 3.26Å; C46-I48 PolarHBondContact O-N 3.45Å; C46-S49 WeakPolarHBondContact CA-OG 3.22Å; C46-S49 PolarHBondContact O-N 3.26Å; C46-S49 PolarHBondContact O-OG 2.99Å; C46-V50 WeakPolarHBondContact O-CB 3.45Å; C46-V50 VanDerWaalsContact O-CG2 3.27Å; C46-V50 WeakPolarHBondContact O-CG2 3.43Å; C46-V50 PolarHBondContact O-N 3Å
47V97Very high96.8Very high99 Ų9992.3 Ų92.360%0.652%0.519SS*.Hα-helixtrans-62.8-33.3179.1171.70000111.9V43 V44 P51V43-V47 HydrophobicContact CG1-CG2 4.37Å; V43-V47 VanDerWaalsContact O-CG2 3.31Å; V43-V47 WeakPolarHBondContact O-CG2 2.96Å; V43-V47 PolarHBondContact O-N 3.47Å; V44-V47 PolarHBondContact O-N 3.37Å; V47-P51 WeakPolarHBondContact O-CD 3.27Å; V47-P51 WeakPolarHBondContact O-CG 3.27Å
48I96.1Very high96.7Very high119 Ų11994.4 Ų94.461%0.6153%0.525SS*.Hα-helixtrans-80-41.2176.5-64.1168000111.6V44 C46V44-I48 HydrophobicContact CG1-CD1 3.88Å; V44-I48 WeakPolarHBondContact O-CG1 3.49Å; V44-I48 PolarHBondContact O-N 3.26Å; C46-I48 VanDerWaalsContact C-N 3.26Å; C46-I48 PolarHBondContact O-N 3.45Å
49S96.4Very high96.6Very high64 Ų6492.1 Ų92.145%0.44852%0.518SS..Hα-helixtrans-74.4-34.2-174.658.10000113.5A45 C46 F52 L53A45-S49 VanDerWaalsContact O-CB 3.26Å; A45-S49 WeakPolarHBondContact O-CB 3.26Å; A45-S49 PolarHBondContact O-N 3.47Å; A45-S49 PolarHBondContact O-OG 3.46Å; C46-S49 WeakPolarHBondContact CA-OG 3.22Å; C46-S49 PolarHBondContact O-N 3.26Å; C46-S49 PolarHBondContact O-OG 2.99Å; S49-F52 PolarHBondContact O-N 3.47Å; S49-L53 WeakPolarHBondContact O-CB 3.31Å; S49-L53 PolarHBondContact O-N 3.44Å
50V96.6Very high96.6Very high94 Ų9492.1 Ų92.157%0.5752%0.516SS*.Hα-helixtrans-62.7-49.7-177.71690000112.9C46 F52 L53 Y54C46-V50 WeakPolarHBondContact O-CB 3.45Å; C46-V50 VanDerWaalsContact O-CG2 3.27Å; C46-V50 WeakPolarHBondContact O-CG2 3.43Å; C46-V50 PolarHBondContact O-N 3Å; V50-F52 VanDerWaalsContact C-N 3.31Å; V50-F52 PolarHBondContact O-N 3.48Å; V50-L53 PolarHBondContact O-N 3.48Å; V50-Y54 WeakPolarHBondContact O-CB 3.47Å; V50-Y54 PolarHBondContact O-N 3.05Å
51P96.5Very high96.4Very high80 Ų8094 Ų9452%0.51952%0.52SS..Hα-helixtrans-63.5-35.9175.8-23.134.5000113V47 Y54 G55V47-P51 WeakPolarHBondContact O-CD 3.27Å; V47-P51 WeakPolarHBondContact O-CG 3.27Å; P51-Y54 PolarHBondContact O-N 3.26Å; P51-G55 PolarHBondContact O-N 3.44Å
52F96.1Very high96.3Very high165 Ų16593 Ų9372%0.72452%0.517SS*.Hα-helixtrans-65.9-44.2177.2-170.2-95.3000111.4S49 V50 Y54 G55 Y56S49-F52 PolarHBondContact O-N 3.47Å; V50-F52 VanDerWaalsContact C-N 3.31Å; V50-F52 PolarHBondContact O-N 3.48Å; F52-Y54 VanDerWaalsContact C-N 3.33Å; F52-G55 PolarHBondContact O-N 3.29Å; F52-Y56 PolarHBondContact O-N 2.88Å
53L96.6Very high96.1Very high112 Ų11295.1 Ų95.159%0.58652%0.521SS*.Hα-helixtrans-62.4-42.1173.9-166.488.3000111S49 V50 Y56 M57S49-L53 WeakPolarHBondContact O-CB 3.31Å; S49-L53 PolarHBondContact O-N 3.44Å; V50-L53 PolarHBondContact O-N 3.48Å; L53-Y56 PolarHBondContact O-N 2.74Å; L53-M57 WeakPolarHBondContact O-CB 3.4Å; L53-M57 VanDerWaalsContact O-CG 3.28Å; L53-M57 WeakPolarHBondContact O-CG 3.28Å; L53-M57 PolarHBondContact O-N 3.23Å
54Y95.9Very high96Very high150 Ų15096.1 Ų96.159%0.58852%0.523SS*.Hα-helixtrans-62-45.2177.5-174.7-101.5000111.9V50 P51 F52 Y56 M57 Q58V50-Y54 WeakPolarHBondContact O-CB 3.47Å; V50-Y54 PolarHBondContact O-N 3.05Å; P51-Y54 PolarHBondContact O-N 3.26Å; F52-Y54 VanDerWaalsContact C-N 3.33Å; Y54-Y56 VanDerWaalsContact C-N 3.35Å; Y54-Y56 PolarHBondContact O-N 2.91Å; Y54-M57 PolarHBondContact O-N 3.4Å; Y54-Q58 HydrophobicContact CD1-CG 4.39Å; Y54-Q58 VanDerWaalsContact CE1-CD 3.44Å; Y54-Q58 HydrophobicContact CE1-CG 4.06Å; Y54-Q58 VanDerWaalsContact CZ-NE2 3.29Å; Y54-Q58 WeakPolarHBondContact O-CG 3.23Å; Y54-Q58 PolarHBondContact O-N 2.89Å; Y54-Q58 PolarHBondContact OH-NE2 2.99Å; Y54-Q58 VanDerWaalsContact OH-NE2 3.08Å
55G95.7Very high95.9Very high35 Ų3597 Ų9736%0.36152%0.521SS..Hα-helixtrans-62.6-39.5174.700000112.9P51 F52 Q58 S59P51-G55 PolarHBondContact O-N 3.44Å; F52-G55 PolarHBondContact O-N 3.29Å; G55-Q58 PolarHBondContact O-N 3.45Å; G55-S59 PolarHBondContact O-N 3.21Å
56Y96.5Very high95.7Very high145 Ų14597.5 Ų97.557%0.56952%0.522SS*.Hα-helixtrans-62.5-46.7173.4177.6-99.8000111.8F52 L53 Y54 Q58 S59 V60F52-Y56 PolarHBondContact O-N 2.88Å; L53-Y56 PolarHBondContact O-N 2.74Å; Y54-Y56 VanDerWaalsContact C-N 3.35Å; Y54-Y56 PolarHBondContact O-N 2.91Å; Y56-Q58 VanDerWaalsContact C-N 3.33Å; Y56-Q58 PolarHBondContact O-N 2.92Å; Y56-S59 PolarHBondContact O-N 3.44Å; Y56-V60 HydrophobicContact CD1-CG2 4.3Å; Y56-V60 HydrophobicContact CE1-CG2 3.84Å; Y56-V60 HydrophobicContact CE2-CG2 4.09Å; Y56-V60 WeakPolarHBondContact O-CG2 3.27Å; Y56-V60 PolarHBondContact O-N 2.98Å
57M95.4Very high95.6Very high107 Ų10799.4 Ų99.453%0.52752%0.523SS..Hα-helixtrans-61.4-40.4177.7-71.8-61.9-61.400112L53 Y54 V60 Q61L53-M57 WeakPolarHBondContact O-CB 3.4Å; L53-M57 VanDerWaalsContact O-CG 3.28Å; L53-M57 WeakPolarHBondContact O-CG 3.28Å; L53-M57 PolarHBondContact O-N 3.23Å; Y54-M57 PolarHBondContact O-N 3.4Å; M57-V60 PolarHBondContact O-N 3.35Å; M57-Q61 VanDerWaalsContact O-CB 3.28Å; M57-Q61 WeakPolarHBondContact O-CB 3.31Å; M57-Q61 PolarHBondContact O-N 3.25Å
58Q95.6Very high95.5Very high99 Ų9997.8 Ų97.846%0.46351%0.514SS..Hα-helixtrans-63.4-42175.1-76.6-171.4-2500112.5Y54 G55 Y56 Q61 S62Y54-Q58 HydrophobicContact CD1-CG 4.39Å; Y54-Q58 VanDerWaalsContact CE1-CD 3.44Å; Y54-Q58 HydrophobicContact CE1-CG 4.06Å; Y54-Q58 VanDerWaalsContact CZ-NE2 3.29Å; Y54-Q58 WeakPolarHBondContact O-CG 3.23Å; Y54-Q58 PolarHBondContact O-N 2.89Å; Y54-Q58 PolarHBondContact OH-NE2 2.99Å; Y54-Q58 VanDerWaalsContact OH-NE2 3.08Å; G55-Q58 PolarHBondContact O-N 3.45Å; Y56-Q58 VanDerWaalsContact C-N 3.33Å; Y56-Q58 PolarHBondContact O-N 2.92Å; Q58-Q61 PolarHBondContact O-N 3.18Å; Q58-S62 PolarHBondContact O-N 3.34Å; Q58-S62 PolarHBondContact O-OG 3.16Å
59S95.7Very high95.3Very high68 Ų6898.6 Ų98.648%0.47652%0.515SS..Hα-helixtrans-63.7-41.7176.6-176.40000112.3G55 Y56 Q61 S62 E63G55-S59 PolarHBondContact O-N 3.21Å; Y56-S59 PolarHBondContact O-N 3.44Å; S59-Q61 VanDerWaalsContact C-N 3.34Å; S59-S62 PolarHBondContact O-OG 3.36Å; S59-E63 PolarHBondContact O-N 3.46Å
60V96.3Very high95.1Very high58 Ų58101.2 Ų101.235%0.35252%0.519SS..Hα-helixtrans-68.4-38.4177173.50000110.5Y56 M57 L64Y56-V60 HydrophobicContact CD1-CG2 4.3Å; Y56-V60 HydrophobicContact CE1-CG2 3.84Å; Y56-V60 HydrophobicContact CE2-CG2 4.09Å; Y56-V60 WeakPolarHBondContact O-CG2 3.27Å; Y56-V60 PolarHBondContact O-N 2.98Å; M57-V60 PolarHBondContact O-N 3.35Å; V60-L64 WeakPolarHBondContact O-CB 3.47Å; V60-L64 PolarHBondContact O-N 3.35Å
61Q94.3Very high94.9Very high110 Ų110100.4 Ų100.451%0.51452%0.516SS..Hα-helixtrans-65.3-43.7177.7-173.9177.6-30.400111.6M57 Q58 S59 L64 E65M57-Q61 VanDerWaalsContact O-CB 3.28Å; M57-Q61 WeakPolarHBondContact O-CB 3.31Å; M57-Q61 PolarHBondContact O-N 3.25Å; Q58-Q61 PolarHBondContact O-N 3.18Å; S59-Q61 VanDerWaalsContact C-N 3.34Å; Q61-L64 PolarHBondContact O-N 3.46Å; Q61-E65 HydrophobicContact CG-CG 4.32Å; Q61-E65 WeakPolarHBondContact CG-OE1 3.38Å; Q61-E65 PolarHBondContact NE2-OE1 3.31Å; Q61-E65 WeakPolarHBondContact O-CB 3.42Å; Q61-E65 VanDerWaalsContact O-CG 3.28Å; Q61-E65 WeakPolarHBondContact O-CG 3.43Å; Q61-E65 PolarHBondContact O-N 2.85Å
62S94.2Very high94.8Very high68 Ų68102.3 Ų102.348%0.47652%0.518SS..Hα-helixtrans-66.3-38.6178.863.20000112.7Q58 S59 S66Q58-S62 PolarHBondContact O-N 3.34Å; Q58-S62 PolarHBondContact O-OG 3.16Å; S59-S62 PolarHBondContact O-OG 3.36Å; S62-S66 PolarHBondContact O-N 3.36Å; S62-S66 VanDerWaalsContact O-N 3.09Å
63E94.7Very high94.6Very high126 Ų126102.8 Ų102.859%0.58952%0.516SS*.Hα-helixtrans-64.2-45.9175-170.3167-171.100110.8S59 S66 E67S59-E63 PolarHBondContact O-N 3.46Å; E63-S66 PolarHBondContact O-N 2.74Å; E63-S66 PolarHBondContact O-OG 3.09Å; E63-E67 PolarHBondContact O-N 2.87Å; E63-E67 VanDerWaalsContact O-N 3.16Å
64L95.6Very high94.5Very high111 Ų111105.7 Ų105.758%0.58152%0.519SS*.Hα-helixtrans-65.3-41.5177.8-173.364000112.6V60 Q61 S66 E67 V68V60-L64 WeakPolarHBondContact O-CB 3.47Å; V60-L64 PolarHBondContact O-N 3.35Å; Q61-L64 PolarHBondContact O-N 3.46Å; L64-S66 VanDerWaalsContact C-N 3.31Å; L64-S66 PolarHBondContact O-N 2.94Å; L64-E67 PolarHBondContact O-N 3.21Å; L64-V68 HydrophobicContact CD1-CG2 4.44Å; L64-V68 HydrophobicContact CG-CG2 4.4Å; L64-V68 WeakPolarHBondContact O-CB 3.35Å; L64-V68 VanDerWaalsContact O-CG2 3.25Å; L64-V68 WeakPolarHBondContact O-CG2 3.5Å; L64-V68 PolarHBondContact O-N 3.33Å
65E94.5Very high94.3Very high103 Ų103101.9 Ų101.948%0.48152%0.515SS..Hα-helixtrans-59.5-43.2176.2-78.6173.1179.200111Q61 E67 V68 E69Q61-E65 HydrophobicContact CG-CG 4.32Å; Q61-E65 WeakPolarHBondContact CG-OE1 3.38Å; Q61-E65 PolarHBondContact NE2-OE1 3.31Å; Q61-E65 WeakPolarHBondContact O-CB 3.42Å; Q61-E65 VanDerWaalsContact O-CG 3.28Å; Q61-E65 WeakPolarHBondContact O-CG 3.43Å; Q61-E65 PolarHBondContact O-N 2.85Å; E65-E67 PolarHBondContact O-N 3.15Å; E65-V68 PolarHBondContact O-N 3.28Å; E65-E69 WeakPolarHBondContact O-CB 3.46Å; E65-E69 WeakPolarHBondContact O-CG 3.49Å; E65-E69 PolarHBondContact O-N 2.98Å
66S93.3Very high94.2Very high62 Ų62102.5 Ų102.543%0.43452%0.516SS..Hα-helixtrans-64.2-39.7178.174.40000113.4S62 E63 L64 F70S62-S66 PolarHBondContact O-N 3.36Å; S62-S66 VanDerWaalsContact O-N 3.09Å; E63-S66 PolarHBondContact O-N 2.74Å; E63-S66 PolarHBondContact O-OG 3.09Å; L64-S66 VanDerWaalsContact C-N 3.31Å; L64-S66 PolarHBondContact O-N 2.94Å; S66-F70 WeakPolarHBondContact O-CB 3.38Å; S66-F70 PolarHBondContact O-N 3.01Å
67E93.8Very high94.1Very high112 Ų112100 Ų10052%0.52351%0.513SS..Hα-helixtrans-68.7-38.9176.5-75-68.9153.600111.6E63 L64 E65 F70 C71E63-E67 PolarHBondContact O-N 2.87Å; E63-E67 VanDerWaalsContact O-N 3.16Å; L64-E67 PolarHBondContact O-N 3.21Å; E65-E67 PolarHBondContact O-N 3.15Å; E67-F70 PolarHBondContact O-N 3.35Å; E67-C71 WeakPolarHBondContact O-CB 3.17Å; E67-C71 PolarHBondContact O-N 3.23Å; E67-C71 PolarHBondContact O-SG 2.84Å
68V94.7Very high93.9Very high66 Ų66100.1 Ų100.140%0.452%0.515SS..Hα-helixtrans-66.3-44.6175.8171.80000110.8L64 E65 F70 C71 Q72L64-V68 HydrophobicContact CD1-CG2 4.44Å; L64-V68 HydrophobicContact CG-CG2 4.4Å; L64-V68 WeakPolarHBondContact O-CB 3.35Å; L64-V68 VanDerWaalsContact O-CG2 3.25Å; L64-V68 WeakPolarHBondContact O-CG2 3.5Å; L64-V68 PolarHBondContact O-N 3.33Å; E65-V68 PolarHBondContact O-N 3.28Å; V68-F70 VanDerWaalsContact C-N 3.34Å; V68-F70 PolarHBondContact O-N 3.05Å; V68-C71 PolarHBondContact O-N 3.44Å; V68-Q72 HydrophobicContact CG1-CG 4.36Å; V68-Q72 WeakPolarHBondContact O-CB 3.37Å; V68-Q72 WeakPolarHBondContact O-CG 3.44Å; V68-Q72 PolarHBondContact O-N 3.34Å
69E92.9Very high93.8Very high136 Ų13699.7 Ų99.764%0.63652%0.516SS*.Hα-helixtrans-60.8-43.1176.1-77.6-172.4167.900111.6E65 C71 Q72 Y73E65-E69 WeakPolarHBondContact O-CB 3.46Å; E65-E69 WeakPolarHBondContact O-CG 3.49Å; E65-E69 PolarHBondContact O-N 2.98Å; E69-C71 PolarHBondContact O-N 2.92Å; E69-Q72 PolarHBondContact O-N 3.41Å; E69-Y73 WeakPolarHBondContact O-CB 3.34Å; E69-Y73 PolarHBondContact O-N 2.99Å
70F92.9Very high93.5Very high119 Ų119104.4 Ų104.452%0.52252%0.523SS..Hα-helixtrans-60.4-45.3175.1178.7-101.8000112S66 E67 V68 Y73 R74S66-F70 WeakPolarHBondContact O-CB 3.38Å; S66-F70 PolarHBondContact O-N 3.01Å; E67-F70 PolarHBondContact O-N 3.35Å; V68-F70 VanDerWaalsContact C-N 3.34Å; V68-F70 PolarHBondContact O-N 3.05Å; F70-Y73 PolarHBondContact O-N 3.2Å; F70-R74 WeakPolarHBondContact O-CB 3.41Å; F70-R74 PolarHBondContact O-N 3.4Å
71C91.7Very high93.2Very high76 Ų76105.6 Ų105.651%0.51453%0.525SS..Hα-helixtrans-62.9-42.4176.3-72.90000112.1E67 V68 E69 R74 S75E67-C71 WeakPolarHBondContact O-CB 3.17Å; E67-C71 PolarHBondContact O-N 3.23Å; E67-C71 PolarHBondContact O-SG 2.84Å; V68-C71 PolarHBondContact O-N 3.44Å; E69-C71 PolarHBondContact O-N 2.92Å; C71-R74 PolarHBondContact O-N 3.37Å; C71-S75 VanDerWaalsContact O-CB 3.29Å; C71-S75 WeakPolarHBondContact O-CB 3.46Å; C71-S75 PolarHBondContact O-N 3.34Å; C71-S75 PolarHBondContact O-OG 2.88Å
72Q93.7Very high93Very high121 Ų121103.7 Ų103.757%0.56552%0.517SS*.Hα-helixtrans-62.8-47.4177.1-76.5-177.2-0.500111.5V68 E69 R74 S75 A76V68-Q72 HydrophobicContact CG1-CG 4.36Å; V68-Q72 WeakPolarHBondContact O-CB 3.37Å; V68-Q72 WeakPolarHBondContact O-CG 3.44Å; V68-Q72 PolarHBondContact O-N 3.34Å; E69-Q72 PolarHBondContact O-N 3.41Å; Q72-R74 PolarHBondContact O-N 2.97Å; Q72-S75 WeakPolarHBondContact CA-OG 3.31Å; Q72-S75 PolarHBondContact O-N 3.08Å; Q72-S75 PolarHBondContact O-OG 2.82Å; Q72-A76 WeakPolarHBondContact O-CB 3.45Å; Q72-A76 PolarHBondContact O-N 3.42Å
73Y92.1Very high92.7Very high175 Ų175104.5 Ų104.569%0.68652%0.516SS*.Hα-helixtrans-57-49.6177.4-179.5-96.4000111.4E69 F70 S75 A76 D77E69-Y73 WeakPolarHBondContact O-CB 3.34Å; E69-Y73 PolarHBondContact O-N 2.99Å; F70-Y73 PolarHBondContact O-N 3.2Å; Y73-S75 VanDerWaalsContact C-N 3.35Å; Y73-S75 PolarHBondContact O-N 3.32Å; Y73-A76 PolarHBondContact O-N 3.26Å; Y73-D77 PolarHBondContact O-N 3.42Å
74R94.5Very high92.5Very high172 Ų172105.7 Ų105.765%0.64952%0.515SS*.Hα-helixtrans-64.8-37.5178.8-169.3174.7-179.8169.50.4112.6F70 C71 Q72 L78F70-R74 WeakPolarHBondContact O-CB 3.41Å; F70-R74 PolarHBondContact O-N 3.4Å; C71-R74 PolarHBondContact O-N 3.37Å; Q72-R74 PolarHBondContact O-N 2.97Å; R74-L78 WeakPolarHBondContact O-CB 3.45Å; R74-L78 PolarHBondContact O-N 3.28Å
75S92.8Very high92Very high71 Ų71104.5 Ų104.550%0.49751%0.508SS..Hα-helixtrans-66.4-38.3176.2770000112.2C71 Q72 Y73 N79C71-S75 VanDerWaalsContact O-CB 3.29Å; C71-S75 WeakPolarHBondContact O-CB 3.46Å; C71-S75 PolarHBondContact O-N 3.34Å; C71-S75 PolarHBondContact O-OG 2.88Å; Q72-S75 WeakPolarHBondContact CA-OG 3.31Å; Q72-S75 PolarHBondContact O-N 3.08Å; Q72-S75 PolarHBondContact O-OG 2.82Å; Y73-S75 VanDerWaalsContact C-N 3.35Å; Y73-S75 PolarHBondContact O-N 3.32Å; S75-N79 VanDerWaalsContact O-CB 3.31Å; S75-N79 WeakPolarHBondContact O-CB 3.22Å; S75-N79 PolarHBondContact O-N 3.4Å
76A93.1Very high91.7Very high47 Ų47106 Ų10639%0.38851%0.513SS..Hα-helixtrans-69.1-41.4178.700000111.5Q72 Y73 N79 R80Q72-A76 WeakPolarHBondContact O-CB 3.45Å; Q72-A76 PolarHBondContact O-N 3.42Å; Y73-A76 PolarHBondContact O-N 3.26Å; A76-N79 PolarHBondContact O-N 3.33Å; A76-R80 WeakPolarHBondContact O-CG 3.45Å; A76-R80 PolarHBondContact O-N 3.42Å
77D93.6Very high91.2Very high94 Ų94107.9 Ų107.950%0.50352%0.518SS..Hα-helixtrans-63.3-46.4175.2-168.355.9000111.5Y73 N79 R80 E81Y73-D77 PolarHBondContact O-N 3.42Å; D77-N79 VanDerWaalsContact C-N 3.32Å; D77-N79 PolarHBondContact O-N 2.94Å; D77-R80 WeakPolarHBondContact O-CB 3.45Å; D77-R80 PolarHBondContact O-N 3.3Å; D77-E81 PolarHBondContact O-N 3.35Å; D77-E81 VanDerWaalsContact O-N 3.09Å
78L92.8Very high90.4Very high109 Ų109108.6 Ų108.657%0.57153%0.53SS*.Hα-helixtrans-60.1-41.6174.7-171.470.6000111.9R74 R80 E81 I82R74-L78 WeakPolarHBondContact O-CB 3.45Å; R74-L78 PolarHBondContact O-N 3.28Å; L78-R80 VanDerWaalsContact C-N 3.34Å; L78-R80 PolarHBondContact O-N 2.86Å; L78-E81 PolarHBondContact O-N 3.47Å; L78-I82 HydrophobicContact CG-CD1 4.11Å; L78-I82 VanDerWaalsContact O-CG1 3.31Å; L78-I82 WeakPolarHBondContact O-CG1 3.48Å; L78-I82 PolarHBondContact O-N 2.87Å
79N92.5Very high88.9Confident90 Ų90112.4 Ų112.448%0.48154%0.544SS..Hα-helixtrans-65.9-36.8179-163.323000111.9S75 A76 D77 E81 I82 I83S75-N79 VanDerWaalsContact O-CB 3.31Å; S75-N79 WeakPolarHBondContact O-CB 3.22Å; S75-N79 PolarHBondContact O-N 3.4Å; A76-N79 PolarHBondContact O-N 3.33Å; D77-N79 VanDerWaalsContact C-N 3.32Å; D77-N79 PolarHBondContact O-N 2.94Å; N79-E81 VanDerWaalsContact C-N 3.32Å; N79-E81 PolarHBondContact O-N 3.29Å; N79-I82 PolarHBondContact O-N 3.35Å; N79-I83 VanDerWaalsContact O-CG1 3.27Å; N79-I83 WeakPolarHBondContact O-CG1 3.43Å; N79-I83 PolarHBondContact O-N 2.99Å
80R90.1Very high87Confident167 Ų167112.8 Ų112.863%0.6355%0.545SS*.Hα-helixtrans-61.1-42.2172.3-74.7178.3-177.6-179.32111.5A76 D77 L78 I83 R84A76-R80 WeakPolarHBondContact O-CG 3.45Å; A76-R80 PolarHBondContact O-N 3.42Å; D77-R80 WeakPolarHBondContact O-CB 3.45Å; D77-R80 PolarHBondContact O-N 3.3Å; L78-R80 VanDerWaalsContact C-N 3.34Å; L78-R80 PolarHBondContact O-N 2.86Å; R80-I83 PolarHBondContact O-N 2.91Å; R80-R84 WeakPolarHBondContact O-CG 3.19Å; R80-R84 PolarHBondContact O-N 2.89Å
81E90.4Very high84.8Confident82 Ų82111.9 Ų111.938%0.38355%0.551SS.*Hα-helixtrans-68.9-39.4179-162.660-162.100112.1D77 L78 N79 I83 R84 I85D77-E81 PolarHBondContact O-N 3.35Å; D77-E81 VanDerWaalsContact O-N 3.09Å; L78-E81 PolarHBondContact O-N 3.47Å; N79-E81 VanDerWaalsContact C-N 3.32Å; N79-E81 PolarHBondContact O-N 3.29Å; E81-I83 VanDerWaalsContact C-N 3.31Å; E81-I83 PolarHBondContact O-N 3.46Å; E81-R84 WeakPolarHBondContact O-CB 3.4Å; E81-R84 PolarHBondContact O-N 2.94Å; E81-R84 WeakPolarHBondContact OE2-CD 3.47Å; E81-R84 IonicContact OE2-CZ 3.64Å; E81-R84 IonicContact OE2-NE 3.9Å; E81-R84 IonicContact OE2-NH1 2.76Å; E81-R84 PolarHBondContact OE2-NH1 3.31Å; E81-I85 HydrophobicContact CG-CD1 4.33Å; E81-I85 WeakPolarHBondContact O-CG1 3.42Å; E81-I85 PolarHBondContact O-N 3.41Å
82I89.4Confident82.7Confident70 Ų70113.2 Ų113.236%0.35957%0.568SS.*Hα-helixtrans-59.3-43173-69.1166.3000111L78 N79 I85 K86L78-I82 HydrophobicContact CG-CD1 4.11Å; L78-I82 VanDerWaalsContact O-CG1 3.31Å; L78-I82 WeakPolarHBondContact O-CG1 3.48Å; L78-I82 PolarHBondContact O-N 2.87Å; N79-I82 PolarHBondContact O-N 3.35Å; I82-I85 PolarHBondContact O-N 3.02Å; I82-K86 HydrophobicContact CG2-CD 4.24Å; I82-K86 HydrophobicContact CG2-CG 4.49Å; I82-K86 WeakPolarHBondContact O-CB 3.3Å; I82-K86 WeakPolarHBondContact O-CG 3.47Å; I82-K86 PolarHBondContact O-N 3.45Å
83I88.5Confident80.4Confident86 Ų86111.8 Ų111.844%0.44157%0.571SS.*Hα-helixtrans-63.5-42.3177.2-68.1164000110.8N79 R80 E81 K86 N87N79-I83 VanDerWaalsContact O-CG1 3.27Å; N79-I83 WeakPolarHBondContact O-CG1 3.43Å; N79-I83 PolarHBondContact O-N 2.99Å; R80-I83 PolarHBondContact O-N 2.91Å; E81-I83 VanDerWaalsContact C-N 3.31Å; E81-I83 PolarHBondContact O-N 3.46Å; I83-K86 PolarHBondContact O-N 2.92Å; I83-N87 VanDerWaalsContact O-CG 3.25Å; I83-N87 PolarHBondContact O-N 3.33Å; I83-N87 PolarHBondContact O-ND2 3.05Å
84R89Confident78.3Confident150 Ų150112.9 Ų112.957%0.56658%0.582SS**Hα-helixtrans-59.6-48.1175-72.3-179.6-168157.8-3.3111.6R80 E81 K86 N87 V88R80-R84 WeakPolarHBondContact O-CG 3.19Å; R80-R84 PolarHBondContact O-N 2.89Å; E81-R84 WeakPolarHBondContact O-CB 3.4Å; E81-R84 PolarHBondContact O-N 2.94Å; E81-R84 WeakPolarHBondContact OE2-CD 3.47Å; E81-R84 IonicContact OE2-CZ 3.64Å; E81-R84 IonicContact OE2-NE 3.9Å; E81-R84 IonicContact OE2-NH1 2.76Å; E81-R84 PolarHBondContact OE2-NH1 3.31Å; R84-K86 PolarHBondContact O-N 3.2Å; R84-N87 PolarHBondContact O-N 3.37Å; R84-V88 WeakPolarHBondContact O-CG2 3.43Å; R84-V88 PolarHBondContact O-N 3.43Å
85I85.8Confident75.7Confident86 Ų86110.4 Ų110.444%0.44159%0.591SS.*Hα-helixtrans-62.7-43.3179.7-65.9167.2000110.9E81 I82 N87 V88 Q89E81-I85 HydrophobicContact CG-CD1 4.33Å; E81-I85 WeakPolarHBondContact O-CG1 3.42Å; E81-I85 PolarHBondContact O-N 3.41Å; I82-I85 PolarHBondContact O-N 3.02Å; I85-N87 VanDerWaalsContact C-N 3.31Å; I85-N87 PolarHBondContact O-N 2.93Å; I85-V88 PolarHBondContact O-N 3.31Å; I85-V88 VanDerWaalsContact O-N 3.17Å; I85-Q89 PolarHBondContact O-N 2.78Å
86K87.6Confident73.1Confident134 Ų134110.1 Ų110.158%0.58360%0.6SS**Hα-helixtrans-60.2-39.8176.1-78.7-177.7178-179.30112.4I82 I83 R84 V88 Q89 Q90I82-K86 HydrophobicContact CG2-CD 4.24Å; I82-K86 HydrophobicContact CG2-CG 4.49Å; I82-K86 WeakPolarHBondContact O-CB 3.3Å; I82-K86 WeakPolarHBondContact O-CG 3.47Å; I82-K86 PolarHBondContact O-N 3.45Å; I83-K86 PolarHBondContact O-N 2.92Å; R84-K86 PolarHBondContact O-N 3.2Å; K86-V88 VanDerWaalsContact C-N 3.34Å; K86-Q89 PolarHBondContact O-N 3.28Å; K86-Q90 PolarHBondContact O-N 3.27Å
87N82.7Confident70.7Confident103 Ų103117 Ų11755%0.55162%0.624SS**Hα-helixtrans-69.3-31.4177.3-70.3-16.3000112.5I83 R84 I85I83-N87 VanDerWaalsContact O-CG 3.25Å; I83-N87 PolarHBondContact O-N 3.33Å; I83-N87 PolarHBondContact O-ND2 3.05Å; R84-N87 PolarHBondContact O-N 3.37Å; I85-N87 VanDerWaalsContact C-N 3.31Å; I85-N87 PolarHBondContact O-N 2.93Å
88V77.2Confident68.1Low126 Ų126117.7 Ų117.776%0.76464%0.636SS**Hα-helixtrans-76.2-31.1174.9175.80000111.8R84 I85 K86R84-V88 WeakPolarHBondContact O-CG2 3.43Å; R84-V88 PolarHBondContact O-N 3.43Å; I85-V88 PolarHBondContact O-N 3.31Å; I85-V88 VanDerWaalsContact O-N 3.17Å; K86-V88 VanDerWaalsContact C-N 3.34Å
89Q63.2Low65.5Low147 Ų147123.6 Ų123.669%0.68765%0.651SS**Hα-helixtrans-82-11.1178.5-87.6178.1-24.400114.7I85 K86 P91I85-Q89 PolarHBondContact O-N 2.78Å; K86-Q89 PolarHBondContact O-N 3.28Å; Q89-P91 WeakPolarHBondContact O-CD 3.36Å
90Q52.8Low62.8Low144 Ų144130.4 Ų130.467%0.67367%0.67SS**SBendtrans-72.7111.9170.2-79.2-173.3-1.700109.1K86 A92K86-Q90 PolarHBondContact O-N 3.27Å; Q90-A92 PolarHBondContact O-N 2.97Å
91P48.1Very low60.5Low100 Ų100130.8 Ų130.865%0.64968%0.679SS**  trans-61.9136.9169.2-8.124.9000106.9Q89 S93Q89-P91 WeakPolarHBondContact O-CD 3.36Å; P91-S93 PolarHBondContact O-N 2.91Å; P91-S93 PolarHBondContact O-OG 3.5Å
92A47.7Very low58Low104 Ų104133 Ų13386%0.8670%0.698SS**  trans-6179.2166.700000109.5Q90Q90-A92 PolarHBondContact O-N 2.97Å
93S44.8Very low55.4Low90 Ų90140.6 Ų140.663%0.62972%0.722SS**  trans-125.456.8178.2650000109P91P91-S93 PolarHBondContact O-N 2.91Å; P91-S93 PolarHBondContact O-OG 3.5Å
94Q47Very low53.1Low198 Ų198144 Ų14493%0.92574%0.741SS**  trans-166.539.2164.2-109.3168.459.300113.2
95S39.6Very low50.7Low120 Ų120143.8 Ų143.884%0.83976%0.757SS**SBendtrans-103.973.4162.162.40000109
96G38.6Very low48.4Very low66 Ų66143.1 Ų143.168%0.6877%0.771SS**  trans-168.53.3-173.100000119
97Q42.7Very low45.9Very low192 Ų192142 Ų14290%0.89778%0.78SS**  trans-128.977.1171.8-75.4179.3-17.700108.2R99Q97-R99 PolarHBondContact O-N 3.49Å
98S39.4Very low43.9Very low107 Ų107144 Ų14475%0.74880%0.796SS**  41.873.490.9-169.10000113.1R100S98-R100 PolarHBondContact O-N 3.22Å
99R37.6Very low41.9Very low234 Ų234148.5 Ų148.588%0.88380%0.801SS**  43.476.8115.9-157.3-175.7-154.2-172.76.7113.7Q97Q97-R99 PolarHBondContact O-N 3.49Å
100R35.7Very low40.7Very low232 Ų232146.8 Ų146.888%0.87581%0.805SS**  trans-169.4140.2155.5-105.7158.6-163.6-153.85110.2S98S98-R100 PolarHBondContact O-N 3.22Å
101Q42.9Very low40Very low176 Ų176144.4 Ų144.482%0.82281%0.805SS**  trans81.285.7168.6-62.1168-13.100114.9
102T38.1Very low39.3Very low127 Ų127147 Ų14778%0.77981%0.813SS**  38.911782.8640000114.2
103R34.2Very low38.7Very low230 Ų230147.6 Ų147.687%0.86881%0.811SS**  trans45.4111.8152.8-83.6178166.7145.1-4.5115.3
104D41.1Very low38.6Very low159 Ų159154.2 Ų154.285%0.8582%0.824SS**  -165.3132.5107.8-86.9-30.8000111.6
105T37.6Very low37.8Very low144 Ų144154.4 Ų154.488%0.88382%0.816SS**  trans-68.3128.5169.743.10000109.7
106G37.9Very low37.6Very low72 Ų72153.4 Ų153.474%0.74282%0.815SS**  trans-172.598.8175.700000112.3
107S34.6Very low37.6Very low112 Ų112156.4 Ų156.478%0.78381%0.811SS**  trans-39.2139173.1520000116
108T41.1Very low37.1Very low144 Ų144154.6 Ų154.688%0.88381%0.808SS**  trans-156.6135.3134.2-4.80000112.6
109Y34.8Very low36.9Very low221 Ų221158.5 Ų158.587%0.86781%0.811SS**  trans-49.3143.8179.4-97.2-116000116.7
110S37.8Very low36.7Very low111 Ų111155.5 Ų155.578%0.77681%0.807SS**  trans144.2140.6132.4-68.90000109.9
111S38.2Very low36.6Very low94 Ų94155.7 Ų155.766%0.65781%0.81SS**  cis-169.6147.7-14.8-73.20000103.4
112D34Very low36.1Very low155 Ų155150.3 Ų150.383%0.82980%0.802SS**  trans75.170.8159.9-53.2-34000119.1
113S36Very low35.9Very low116 Ų116154.1 Ų154.181%0.81181%0.807SS**  trans-87.5104.9152.6164.60000109R115S113-R115 PolarHBondContact O-N 2.96Å
114Y41.2Very low35.9Very low229 Ų229148 Ų14890%0.89880%0.8SS**  trans-72.7107.8166.5-115.9-93.5000109.1A116Y114-A116 PolarHBondContact O-N 3.33Å
115R31.7Very low35.9Very low201 Ų201146.6 Ų146.676%0.75880%0.803SS**  trans-65.9110.8176-176.8-178.3-173.91483110.4S113 H117S113-R115 PolarHBondContact O-N 2.96Å; R115-H117 PolarHBondContact NE-NE2 3.44Å
116A35.4Very low35.7Very low100 Ų100143.2 Ų143.283%0.82680%0.796SS**  trans-109115.7160.800000108.7Y114Y114-A116 PolarHBondContact O-N 3.33Å
117H38.5Very low35.8Very low128 Ų128145.6 Ų145.659%0.59380%0.801SS**  trans-59.8132.8-173.6-95.6-115.1000113R115 F119R115-H117 PolarHBondContact NE-NE2 3.44Å; H117-F119 PolarHBondContact O-N 2.92Å
118N30.6Very low36.2Very low154 Ų154149.3 Ų149.382%0.82481%0.806SS**  trans-50.6114.9150.5-87.3-41.4000109.3
119F35.5Very low35.9Very low189 Ų189152.2 Ų152.283%0.82981%0.81SS**  trans-134.2115.9151.6-105.7-82.5000108.8H117H117-F119 PolarHBondContact O-N 2.92Å
120Q33.6Very low36Very low171 Ų171148.8 Ų148.880%0.79981%0.805SS**  trans-106.597.1-172.1179.7174.88.900107.1
121Y34.5Very low35.8Very low236 Ų236149.6 Ų149.693%0.92581%0.809SS**  trans-176.1123.6164.7-94.1-76.9000104.5
122G31.5Very low35.9Very low63 Ų63150 Ų15065%0.64981%0.809SS**  cis137.511217.700000106.2
123K34.1Very low36.2Very low207 Ų207147.3 Ų147.390%0.980%0.803SS**  trans66.5142.7168.2-57.4173.8176.61770115.5
124S35.2Very low36.2Very low103 Ų103152.8 Ų152.872%0.7281%0.808SS**  cis-179.3160.7-9.544.40000106.1
125S39.8Very low35.9Very low129 Ų129147.9 Ų147.990%0.90281%0.805SS**  trans83.6124.816977.70000116.6
126G33.6Very low36.1Very low72 Ų72148.3 Ų148.374%0.74281%0.808SS**  cis174.9134.4-2.900000111.2
127S39.9Very low36.3Very low122 Ų122149 Ų14985%0.85381%0.807SS**  trans167.575.8147.358.20000109.6
128E42.6Very low36.2Very low191 Ų191147 Ų14789%0.89381%0.808SS**  trans-134.7124.6156.3-90.1-172.7119.400108.5I130E128-I130 PolarHBondContact O-N 3.5Å
129E36.3Very low36.7Very low204 Ų204145.3 Ų145.395%0.95381%0.808SS**  trans-63119.7-179.5-69.7172.9123.500110.7
130I36.3Very low36.7Very low150 Ų150147.4 Ų147.477%0.76981%0.81SS**  trans-112.9128160.4-64.7172.4000106.8E128E128-I130 PolarHBondContact O-N 3.5Å
131C32.4Very low36.9Very low128 Ų128144.9 Ų144.987%0.86581%0.811SS**  trans-149.6149.4147.2-100.80000111
132P40.9Very low36.9Very low101 Ų101139.5 Ų139.566%0.65680%0.803SS**  -133.2169.8-119.834.9-16.1000113.5
133S39.9Very low37.1Very low100 Ų100145.6 Ų145.670%0.69981%0.814SS**  trans164.2109.913946.40000111.6
134Y37.3Very low37.2Very low231 Ų231140.6 Ų140.691%0.90681%0.805SS**  trans-117.4100.1155.6-67.8-78.7000107Y136Y134-Y136 PolarHBondContact O-N 2.96Å
135C34.7Very low37.3Very low125 Ų125139.4 Ų139.485%0.84580%0.797SS**  trans-67.1112.5170.2-750000109.1
136Y36.4Very low37.3Very low211 Ų211139.3 Ų139.383%0.82778%0.782SS**  trans-91.2100.2169.8-135.6-94.5000107.7Y134 S138Y134-Y136 PolarHBondContact O-N 2.96Å; Y136-S138 WeakPolarHBondContact CD1-OG 3.31Å
137S39.1Very low37.8Very low113 Ų113139.7 Ų139.779%0.7979%0.786SS**  trans-99.596.9164.3-81.50000108.8S139S137-S139 PolarHBondContact O-N 3.49Å
138S35.8Very low37.7Very low88 Ų88137.4 Ų137.462%0.61578%0.781SS**  trans-73.899170.2-61.40000110.6Y136 R140Y136-S138 WeakPolarHBondContact CD1-OG 3.31Å; S138-R140 PolarHBondContact O-N 3.44Å
139S41.6Very low37.2Very low117 Ų117130.4 Ų130.482%0.81876%0.761SS**  trans-90.692.3158.5-54.90000108.4S137 S141S137-S139 PolarHBondContact O-N 3.49Å; S139-S141 PolarHBondContact O-N 2.86Å
140R35.4Very low36.9Very low233 Ų233123.6 Ų123.688%0.87975%0.746SS**  trans-63.2114.3167.2-74178.2178.1178.6-0.6109S138S138-R140 PolarHBondContact O-N 3.44Å
141S36.8Very low37.2Very low118 Ų118127 Ų12783%0.82575%0.75SS**  trans-108105.5147.758.30000107.9S139 Q143S139-S141 PolarHBondContact O-N 2.86Å; S141-Q143 PolarHBondContact O-N 2.9Å
142V34.8Very low37.5Very low123 Ų123124.3 Ų124.375%0.74574%0.744SS**  trans-53.4120.7174.3175.20000109.9
143Q37Very low37.5Very low192 Ų192123.8 Ų123.890%0.89775%0.748SS**  trans-148.482.2149.9-109.2162.3-0.700108S141 S145S141-Q143 PolarHBondContact O-N 2.9Å; Q143-S145 PolarHBondContact O-N 2.98Å
144S35.2Very low37.8Very low101 Ų101125.2 Ų125.271%0.70675%0.753SS**  trans-47.8102.5152.7166.10000106.9
145S37.7Very low37.9Very low78 Ų78123.6 Ų123.655%0.54575%0.75SS.*  72.5129.38577.80000111.8Q143Q143-S145 PolarHBondContact O-N 2.98Å
146Q40.3Very low38.5Very low128 Ų128126.2 Ų126.260%0.59875%0.75SS**  trans83104.2156.6-57.5176.96.900116G149Q146-G149 VanDerWaalsContact CD-N 3.3Å
147G43.1Very low39.2Very low79 Ų79122 Ų12281%0.81475%0.746SS**SBend-57.7120.9113.100000106.8
148G37.1Very low39.7Very low74 Ų74121.7 Ų121.776%0.76374%0.742SS**SBendtrans-31.3128.4-160.500000117.6
149G32.4Very low40.1Very low44 Ų44125.4 Ų125.445%0.45475%0.747SS.*SBendtrans73.5114.8175.200000113.5Q146Q146-G149 VanDerWaalsContact CD-N 3.3Å
150G31.4Very low40.1Very low62 Ų62126.6 Ų126.664%0.63975%0.752SS**  98.364.175.300000111.7
151Y41.9Very low40.8Very low221 Ų221118.7 Ų118.787%0.86774%0.742SS**  trans-161.9143155.752.1-84.8000110.4
152G39Very low41.1Very low71 Ų71119.5 Ų119.573%0.73274%0.737SS**  trans-65.2138.9-157.500000116.3V154G152-V154 PolarHBondContact O-N 3.4Å
153A41.4Very low41.5Very low90 Ų90119.8 Ų119.874%0.74474%0.74SS**  trans-62.9120.3168.600000109.5F155A153-F155 PolarHBondContact O-N 2.92Å
154V44.7Very low41.5Very low131 Ų131116 Ų11679%0.79473%0.734SS**  trans-61.2111.8173.7-179.60000107.8G152 E156G152-V154 PolarHBondContact O-N 3.4Å; V154-E156 PolarHBondContact O-N 3Å; V154-E156 VanDerWaalsContact O-N 3.12Å
155F41.1Very low41.6Very low196 Ų196117.1 Ų117.186%0.8674%0.74SS**  trans-73.794.4167.4-85.3-96.1000107.9A153 V157A153-F155 PolarHBondContact O-N 2.92Å; F155-V157 PolarHBondContact O-N 3.25Å
156E46.8Very low41.8Very low180 Ų180119.3 Ų119.384%0.84175%0.75SS**  trans-71.3107.2160.8-89-177.3125.700108.2V154V154-E156 PolarHBondContact O-N 3Å; V154-E156 VanDerWaalsContact O-N 3.12Å
157V49.6Very low41.5Very low123 Ų123118.1 Ų118.175%0.74575%0.754SS**PPolyproline II helixtrans-63.1123.4168.1-177.40000107.2F155 K159F155-V157 PolarHBondContact O-N 3.25Å; V157-K159 PolarHBondContact O-N 3.25Å
158P50.1Low41.1Very low106 Ų106122.5 Ų122.569%0.68875%0.754SS**PPolyproline II helixtrans-60.9131.4178.623.3-30.3000109.4
159K44.6Very low41Very low166 Ų166128.1 Ų128.172%0.72276%0.76SS**PPolyproline II helixtrans-69.8150.8177.5-71.4175.3-176.8169.10109.5V157 G161V157-K159 PolarHBondContact O-N 3.25Å; K159-G161 PolarHBondContact O-N 3.48Å
160P41.3Very low41.3Very low143 Ų143129.5 Ų129.593%0.92977%0.774SS**THydrogen-bonded Turntrans-63.7107174.7-1024.2000108.7
161G50.1Low41.5Very low66 Ų66131.3 Ų131.368%0.6878%0.783SS**THydrogen-bonded Turntrans145.1-12.7178.100000116.7K159 T163K159-G161 PolarHBondContact O-N 3.48Å; G161-T163 PolarHBondContact O-N 3.12Å; G161-T163 VanDerWaalsContact O-N 3.14Å
162D42.4Very low41.1Very low135 Ų135125.4 Ų125.472%0.72278%0.78SS**  trans-88.284.4-177.4-67.1-27.6000111.9C164D162-C164 PolarHBondContact O-N 3.26Å
163T44.5Very low41.1Very low129 Ų129124.8 Ų124.879%0.79177%0.774SS**  trans-81.9104.8168.326.30000110.9G161 C165G161-T163 PolarHBondContact O-N 3.12Å; G161-T163 VanDerWaalsContact O-N 3.14Å; T163-C165 PolarHBondContact O-N 3.44Å
164C36.7Very low40.9Very low114 Ų114126.3 Ų126.377%0.7778%0.776SS**  trans-63.5119.4167.9-175.40000110.1D162 T166D162-C164 PolarHBondContact O-N 3.26Å; C164-T166 PolarHBondContact O-N 3.38Å
165C38.1Very low40.7Very low123 Ų123126 Ų12683%0.83178%0.777SS**  trans-8399.6172.6-710000110T163T163-C165 PolarHBondContact O-N 3.44Å
166T41.9Very low40.4Very low125 Ų125119.6 Ų119.677%0.76777%0.766SS**  trans-118.4100.8154.638.50000109C164C164-T166 PolarHBondContact O-N 3.38Å
167C33Very low40.1Very low102 Ų102116.8 Ų116.869%0.68976%0.763SS**  trans-29.8155.3171.829.70000119.7
168H34.9Very low39.9Very low172 Ų172116.8 Ų116.880%0.79677%0.766SS**SBendtrans97.140.6163.3-52.4-67.4000119.6
169Q35.4Very low39.3Very low191 Ų191114.6 Ų114.689%0.89376%0.762SS**  trans-172.6121.4138.1-110.6153.710.700107.3A171Q169-A171 PolarHBondContact O-N 2.84Å
170G38.5Very low39.1Very low74 Ų74112.5 Ų112.576%0.76377%0.766SS**PPolyproline II helixtrans-56.3136.7167.600000108A172G170-A172 PolarHBondContact O-N 3.43Å
171A34.6Very low39.3Very low100 Ų100111 Ų11183%0.82676%0.756SS**PPolyproline II helixtrans-49.4129.4176.600000108.7Q169 G173Q169-A171 PolarHBondContact O-N 2.84Å; A171-G173 PolarHBondContact O-N 3.16Å
172A34.5Very low38.7Very low97 Ų97111.1 Ų111.180%0.80276%0.757SS**PPolyproline II helixtrans-50.4133.2172.300000108G170G170-A172 PolarHBondContact O-N 3.43Å
173G37.9Very low38.8Very low58 Ų58114 Ų11460%0.59877%0.766SS**PPolyproline II helixtrans-53.1151.4174.500000109.9A171A171-G173 PolarHBondContact O-N 3.16Å
174P38.1Very low38.8Very low121 Ų121113.5 Ų113.579%0.78676%0.759SS**PPolyproline II helixtrans-52.6143.4175.624.2-33.3000109.3G176P174-G176 PolarHBondContact O-N 3.43Å
175P40Very low38.8Very low126 Ų126111.3 Ų111.382%0.81876%0.755SS**PPolyproline II helixtrans-46.7139172.9-27.334.2000110.3
176G35.9Very low38.9Very low60 Ų60114.2 Ų114.262%0.61976%0.759SS**PPolyproline II helixtrans-53.1150.2176.300000110.7P174P174-G176 PolarHBondContact O-N 3.43Å
177P41.1Very low39Very low121 Ų121114.2 Ų114.279%0.78676%0.761SS**PPolyproline II helixtrans-54143.6177.523.9-33.3000109.8G179P177-G179 PolarHBondContact O-N 2.92Å
178P44.8Very low39Very low124 Ų124112.7 Ų112.781%0.80576%0.762SS**PPolyproline II helixtrans-48.5140.8174.4-27.334.3000111
179G36.3Very low39.3Very low59 Ų59115.6 Ų115.661%0.60877%0.766SS**PPolyproline II helixtrans-54.4152.917600000111.4P177P177-G179 PolarHBondContact O-N 2.92Å
180P41.7Very low39.9Very low123 Ų123112.1 Ų112.180%0.79976%0.76SS**PPolyproline II helixtrans-54.6144.2177.624-33.3000110G182P180-G182 PolarHBondContact O-N 2.95Å
181P44.2Very low39.6Very low112 Ų112112 Ų11273%0.72776%0.76SS**PPolyproline II helixtrans-49.5139.1174.2-26.133.8000110.9
182G39.3Very low40.1Very low68 Ų68116.1 Ų116.170%0.70176%0.761SS**PPolyproline II helixtrans-53.6147.5173.700000111P180 D184P180-G182 PolarHBondContact O-N 2.95Å; G182-D184 PolarHBondContact O-N 2.97Å
183Q44Very low40.4Very low196 Ų196120.4 Ų120.492%0.91677%0.765SS**PPolyproline II helixtrans-57.8138.4175.9-68.3-178.611.500109.7G185Q183-G185 PolarHBondContact O-N 3.45Å
184D44.4Very low40.2Very low118 Ų118120.5 Ų120.563%0.63177%0.766SS**PPolyproline II helixtrans-54.3132.5173.9-70.5-36.7000110.2G182 M186 K228G182-D184 PolarHBondContact O-N 2.97Å; D184-M186 PolarHBondContact O-N 3.28Å; D184-K228 IonicContact OD1-NZ 2.68Å; D184-K228 PolarHBondContact OD1-NZ 3.39Å; D184-K228 IonicContact OD2-NZ 2.66Å; D184-K228 PolarHBondContact OD2-NZ 3.23Å
185G36.5Very low40.4Very low68 Ų68126.3 Ų126.370%0.70177%0.772SS**PPolyproline II helixtrans-55.2139.3169.100000109.9Q183Q183-G185 PolarHBondContact O-N 3.45Å
186M39.9Very low40.8Very low183 Ų183126 Ų12690%0.90177%0.77SS**PPolyproline II helixtrans-56137.6177.2-69-157.8-65.500110.1D184 G188D184-M186 PolarHBondContact O-N 3.28Å; M186-G188 PolarHBondContact O-N 2.98Å
187P45.2Very low40.7Very low125 Ų125125.9 Ų125.981%0.81277%0.769SS**PPolyproline II helixtrans-52.6137.3173.1-23.932.4000110.5
188G32.4Very low41.1Very low70 Ų70126.3 Ų126.372%0.72277%0.772SS**PPolyproline II helixtrans-54.5143.8171.400000110.5M186M186-G188 PolarHBondContact O-N 2.98Å
189R40.2Very low40.8Very low234 Ų234128 Ų12888%0.88377%0.774SS**PPolyproline II helixtrans-56.1136.3174.9-86.3-176174.8-159.7-0.9109.5G191R189-G191 PolarHBondContact O-N 3.47Å
190P47.7Very low40.7Very low117 Ų117129.7 Ų129.776%0.7678%0.783SS**PPolyproline II helixtrans-51.6136.4170.9-2533.3000110.5
191G34Very low40.7Very low73 Ų73126.4 Ų126.475%0.75377%0.771SS**PPolyproline II helixtrans-57.1141.6174.400000110.8R189 Q193R189-G191 PolarHBondContact O-N 3.47Å; G191-Q193 PolarHBondContact O-N 3.01Å
192H44.1Very low40.7Very low185 Ų185127.3 Ų127.386%0.85678%0.777SS**PPolyproline II helixtrans-60.8134.7174-67.2-77.4000109.8G194H192-G194 PolarHBondContact O-N 3.26Å
193Q41.7Very low40.6Very low187 Ų187135 Ų13587%0.87479%0.786SS**PPolyproline II helixtrans-57.3128.7175.7-174.2176.91.600109.4G191G191-Q193 PolarHBondContact O-N 3.01Å
194G32.6Very low40.6Very low61 Ų61133.6 Ų133.663%0.62978%0.78SS**PPolyproline II helixtrans-56.3143.8173.600000110.9H192H192-G194 PolarHBondContact O-N 3.26Å
195R42Very low40.2Very low243 Ų243134 Ų13492%0.91779%0.789SS**PPolyproline II helixtrans-54.6137.9175.3-80.3-177.3176.5-170.6-0.8109.5G197R195-G197 PolarHBondContact O-N 3.47Å
196P48.3Very low40.2Very low119 Ų119138.3 Ų138.377%0.77379%0.794SS**PPolyproline II helixtrans-50.3140.2167.7-24.333.4000110.2
197G34.1Very low40.1Very low58 Ų58138 Ų13860%0.59880%0.795SS**PPolyproline II helixtrans-59.1153.6173.200000110.9R195 D199R195-G197 PolarHBondContact O-N 3.47Å; G197-D199 PolarHBondContact O-N 3.24Å
198P50.7Low39.9Very low129 Ų129136.8 Ų136.884%0.83879%0.79SS**PPolyproline II helixtrans-56.2138177.324.5-32.7000109.9A200P198-A200 PolarHBondContact O-N 3.33Å
199D37.5Very low40.5Very low159 Ų159139.3 Ų139.385%0.8579%0.794SS**PPolyproline II helixtrans-55.5138.7174.9-68.9-48.5000109.7G197 G201G197-D199 PolarHBondContact O-N 3.24Å; D199-G201 PolarHBondContact O-N 3.08Å
200A35.1Very low40.4Very low96 Ų96133.9 Ų133.979%0.79379%0.789SS**PPolyproline II helixtrans-55.7125169.200000107.8P198P198-A200 PolarHBondContact O-N 3.33Å
201G41.7Very low39.6Very low54 Ų54133.8 Ų133.856%0.55779%0.789SS**PPolyproline II helixtrans-51.9158.2-179.700000112.3D199 Y203D199-G201 PolarHBondContact O-N 3.08Å; G201-Y203 PolarHBondContact O-N 3.4Å
202P44.3Very low39.8Very low131 Ų131138.2 Ų138.285%0.85179%0.794SS**  trans-56.1112.9-174.622.1-31.8000110.3Q204P202-Q204 PolarHBondContact O-N 3.35Å
203Y35.6Very low39.1Very low228 Ų228135 Ų13589%0.89479%0.788SS**PPolyproline II helixtrans-63.3121.7169.1-125.2-91.6000107.8G201G201-Y203 PolarHBondContact O-N 3.4Å
204Q45.4Very low38.5Very low167 Ų167132 Ų13278%0.7879%0.785SS**PPolyproline II helixtrans-69.7136.9168.3-67.3-163-24.800109.2P202 I206P202-Q204 PolarHBondContact O-N 3.35Å; Q204-I206 PolarHBondContact O-N 2.92Å
205P35.4Very low38.5Very low126 Ų126135.4 Ų135.482%0.81880%0.795SS**PPolyproline II helixtrans-80119.1-168.930.7-31.8000110.3
206I37.3Very low38.1Very low159 Ų159135.1 Ų135.182%0.81579%0.793SS**  trans-117.790.6160.1-45.3178.5000107.4Q204 S208Q204-I206 PolarHBondContact O-N 2.92Å; I206-S208 PolarHBondContact O-N 3.33Å
207L36.2Very low37.3Very low177 Ų177132.4 Ų132.493%0.92779%0.787SS**SBendtrans36.771.8142.3-124.373.6000117.2
208S42.6Very low37.3Very low100 Ų100139.1 Ų139.170%0.69980%0.8SS**  trans-152.6134.4148.541.20000109.4I206I206-S208 PolarHBondContact O-N 3.33Å
209P43.2Very low36.8Very low123 Ų123138.6 Ų138.680%0.79980%0.797SS**PPolyproline II helixtrans-65.6133.5-166.824-32.4000111.5
210P38.5Very low36.6Very low120 Ų120134 Ų13478%0.77979%0.786SS**PPolyproline II helixtrans-73.2132.6179.628.4-31.4000110.9I212P210-I212 PolarHBondContact O-N 3.46Å
211C31.7Very low36.8Very low115 Ų115135.2 Ų135.278%0.77779%0.786SS**PPolyproline II helixtrans-66.5117.3167.1-760000110.1T213C211-T213 VanDerWaalsContact C-N 3.32Å; C211-T213 PolarHBondContact O-N 2.94Å; C211-T213 VanDerWaalsContact O-N 3.15Å
212I37Very low36.8Very low166 Ų166138.6 Ų138.685%0.85180%0.798SS**THydrogen-bonded Turntrans-81.122.7-164.1-153.7162.4000115.9P210P210-I212 PolarHBondContact O-N 3.46Å
213T30.4Very low36.4Very low118 Ų118135.7 Ų135.772%0.72479%0.792SS**THydrogen-bonded Turntrans-137.311.5-173.146.90000116.8C211 T215C211-T213 VanDerWaalsContact C-N 3.32Å; C211-T213 PolarHBondContact O-N 2.94Å; C211-T213 VanDerWaalsContact O-N 3.15Å; T213-T215 PolarHBondContact O-N 3.23Å
214C28.9Very low36.5Very low122 Ų122136.3 Ų136.382%0.82479%0.793SS**  trans-82.678.9175.8-65.60000111.5R216C214-R216 PolarHBondContact O-N 3.43Å
215T32.1Very low36.5Very low134 Ų134134.3 Ų134.382%0.82280%0.795SS**PPolyproline II helixtrans-64.8128.6166.742.70000110T213 G217T213-T215 PolarHBondContact O-N 3.23Å; T215-G217 PolarHBondContact O-N 2.93Å
216R34Very low36.5Very low236 Ų236131.3 Ų131.389%0.89179%0.786SS**PPolyproline II helixtrans-52.1120.3174.6-179.3177179.2164.80.8109.6C214C214-R216 PolarHBondContact O-N 3.43Å
217G31.6Very low36.6Very low63 Ų63129.8 Ų129.865%0.64979%0.787SS**PPolyproline II helixtrans-59.8139.1172.500000110.7T215T215-G217 PolarHBondContact O-N 2.93Å
218K34.3Very low36.9Very low198 Ų198128.3 Ų128.386%0.86177%0.773SS**PPolyproline II helixtrans-55.3143.7173.8-68.7-175.2178.4-177.60109.7G220K218-G220 PolarHBondContact O-N 3.45Å
219P39.3Very low36.6Very low119 Ų119126.1 Ų126.177%0.77377%0.766SS**PPolyproline II helixtrans-48.7140.1170.7-25.833.9000110.9
220G34Very low36.3Very low61 Ų61126.1 Ų126.163%0.62977%0.766SS**PPolyproline II helixtrans-60.5152.1173.200000110.8K218K218-G220 PolarHBondContact O-N 3.45Å
221P39.8Very low36.4Very low122 Ų122129 Ų12979%0.79277%0.767SS**PPolyproline II helixtrans-58.1151.8173.726.3-33.9000110.5
222P41.7Very low36.5Very low125 Ų125126 Ų12681%0.81276%0.755SS**PPolyproline II helixtrans-50.9146.8174-2634.1000112.2
223G34.5Very low36.5Very low70 Ų70124 Ų12472%0.72275%0.753SS**PPolyproline II helixtrans-57.5147172.400000111.1
224R39.8Very low36.5Very low241 Ų241124 Ų12491%0.90976%0.756SS**PPolyproline II helixtrans-60.7143.3172.9-67.6-175179.1-145.2-0.4109.2G226R224-G226 PolarHBondContact O-N 2.9Å
225P44.9Very low36.6Very low126 Ų126121.5 Ų121.582%0.81875%0.751SS**PPolyproline II helixtrans-50.3141.9170.3-25.434000110.8
226G35.3Very low36.8Very low62 Ų62122.6 Ų122.664%0.63975%0.752SS**PPolyproline II helixtrans-60.4156.1173.700000111.3R224R224-G226 PolarHBondContact O-N 2.9Å
227P39.7Very low36.9Very low128 Ų128117.3 Ų117.383%0.83175%0.748SS**PPolyproline II helixtrans-56.9145.4172.726.3-33.6000110G229P227-G229 PolarHBondContact O-N 3.08Å
228K40.7Very low36.9Very low146 Ų146117.6 Ų117.664%0.63575%0.752SS**PPolyproline II helixtrans-58.6137.3173.2-168.7178.7173.3-163.60108.7D184D184-K228 IonicContact OD1-NZ 2.68Å; D184-K228 PolarHBondContact OD1-NZ 3.39Å; D184-K228 IonicContact OD2-NZ 2.66Å; D184-K228 PolarHBondContact OD2-NZ 3.23Å
229G36.7Very low37Very low54 Ų54120.1 Ų120.156%0.55776%0.756SS**PPolyproline II helixtrans-56.9153.3175.400000111.4P227P227-G229 PolarHBondContact O-N 3.08Å
230P38.3Very low36.9Very low123 Ų123122 Ų12280%0.79976%0.759SS**PPolyproline II helixtrans-56.9148.4175.525.5-33.4000110.4G232P230-G232 PolarHBondContact O-N 3.49Å
231K38.9Very low36.8Very low181 Ų181122.8 Ų122.879%0.78777%0.767SS**PPolyproline II helixtrans-57.3133.6171.2-170.9-178.8177.6-175.90108.1
232G34.4Very low36.9Very low52 Ų52122.4 Ų122.454%0.53677%0.767SS.*PPolyproline II helixtrans-56.8151.4172.900000110.9P230P230-G232 PolarHBondContact O-N 3.49Å
233P37Very low37Very low123 Ų123121.8 Ų121.880%0.79977%0.766SS**PPolyproline II helixtrans-56.5146.7174.725.1-33000110.3
234C31.2Very low37.2Very low118 Ų118123.7 Ų123.780%0.79777%0.768SS**PPolyproline II helixtrans-58.5141.5166.1-94.20000108.8
235G31Very low37.1Very low70 Ų70117.8 Ų117.872%0.72276%0.759SS**PPolyproline II helixtrans-63.2146.4168.400000110.3
236D34.9Very low36.6Very low157 Ų157119.1 Ų119.184%0.8477%0.765SS**PPolyproline II helixtrans-56.5139.9174.9-65.6-47.7000110.4G238D236-G238 PolarHBondContact O-N 2.94Å
237P36.2Very low36.7Very low124 Ų124121.9 Ų121.981%0.80577%0.769SS**PPolyproline II helixtrans-52.6135.7170.4-24.533.4000110.9R239P237-R239 PolarHBondContact O-N 2.9Å
238G32.1Very low36.7Very low70 Ų70126.2 Ų126.272%0.72277%0.769SS**PPolyproline II helixtrans-58132.9174.600000110.4D236 D240D236-G238 PolarHBondContact O-N 2.94Å; G238-D240 PolarHBondContact O-N 3.19Å
239R35.9Very low37Very low251 Ų251124.8 Ų124.895%0.94778%0.775SS**PPolyproline II helixtrans-62.5120.5178.7-148.7179.5-167.8-165.43109.3P237 G241P237-R239 PolarHBondContact O-N 2.9Å; R239-G241 PolarHBondContact O-N 3.39Å
240D37.8Very low37.1Very low158 Ų158125.2 Ų125.285%0.84578%0.779SS**PPolyproline II helixtrans-53.5132.4176.4-69.4-38.8000110.7G238 S242G238-D240 PolarHBondContact O-N 3.19Å; D240-S242 PolarHBondContact O-N 3.21Å; D240-S242 VanDerWaalsContact O-N 3.11Å
241G32.4Very low37.6Very low77 Ų77124.9 Ų124.979%0.79478%0.777SS**  trans-67107.917900000110.5R239 S243R239-G241 PolarHBondContact O-N 3.39Å; G241-S243 PolarHBondContact O-N 3.49Å; G241-S243 VanDerWaalsContact O-N 3.07Å
242S42Very low38Very low114 Ų114122.2 Ų122.280%0.79778%0.778SS**  trans-66.5108.9163.263.50000108.2D240D240-S242 PolarHBondContact O-N 3.21Å; D240-S242 VanDerWaalsContact O-N 3.11Å
243S43Very low38.1Very low113 Ų113122.8 Ų122.879%0.7978%0.784SS**SBendtrans-49.3147.9171.4-167.80000111.9G241G241-S243 PolarHBondContact O-N 3.49Å; G241-S243 VanDerWaalsContact O-N 3.07Å
244S38.9Very low38.3Very low110 Ų110122.8 Ų122.877%0.76978%0.784SS**SBendtrans73.766.2178.1750000117.1
245T37.3Very low38.7Very low117 Ų117123.2 Ų123.272%0.71879%0.785SS**SBend-179.9126.2124.8-650000105.1T247T245-T247 VanDerWaalsContact C-N 3.33Å; T245-T247 PolarHBondContact O-N 3.08Å; T245-T247 PolarHBondContact O-OG1 2.94Å
246V34.1Very low38.6Very low153 Ų153122.9 Ų122.993%0.92778%0.782SS**  trans-63.194.4178.3177.70000108.5
247T37.4Very low38.6Very low120 Ų120124 Ų12474%0.73678%0.784SS**  trans-124.7130.7165.429.10000108.8T245T245-T247 VanDerWaalsContact C-N 3.33Å; T245-T247 PolarHBondContact O-N 3.08Å; T245-T247 PolarHBondContact O-OG1 2.94Å
248R41.3Very low38.6Very low219 Ų219124.1 Ų124.183%0.82679%0.785SS**PPolyproline II helixtrans-48140.1-173.4-153.317475.7-126.14.2111.7G250R248-G250 PolarHBondContact O-N 3.37Å
249P45.3Very low38.5Very low116 Ų116123.9 Ų123.975%0.75378%0.782SS**PPolyproline II helixtrans-49.8135.9169.2-25.433.1000110.7
250G40.6Very low38.4Very low63 Ų63117.3 Ų117.365%0.64978%0.775SS**PPolyproline II helixtrans-60.2148.9172.500000110.6R248R248-G250 PolarHBondContact O-N 3.37Å
251P47.5Very low38.2Very low116 Ų116115.8 Ų115.875%0.75377%0.774SS**PPolyproline II helixtrans-58.5148.2173.626.1-33.1000110.6
252P47.9Very low38Very low125 Ų125115.4 Ų115.481%0.81277%0.77SS**PPolyproline II helixtrans-51.8143.5172-2533.6000111.6
253G37.1Very low37.5Very low64 Ų64119.3 Ų119.366%0.6678%0.776SS**PPolyproline II helixtrans-59.1153.5172.900000111.8
254P40.7Very low36.9Very low124 Ų124120 Ų12081%0.80578%0.779SS**PPolyproline II helixtrans-59.4148.1176.625.8-33.4000110.8
255P38.8Very low36.4Very low126 Ų126118.3 Ų118.382%0.81878%0.779SS**PPolyproline II helixtrans-54.3142.1174-23.833.1000111.7
256G30.1Very low36.2Very low63 Ų63122.1 Ų122.165%0.64979%0.788SS**PPolyproline II helixtrans-58.4148.617400000112
257M34.2Very low36.2Very low181 Ų181124.7 Ų124.789%0.89279%0.787SS**PPolyproline II helixtrans-59.7142.5176.9-69.3177.769.400111
258P36.3Very low36Very low126 Ų126122.2 Ų122.282%0.81879%0.785SS**PPolyproline II helixtrans-55.4139.5173.4-23.532.8000111.6
259G29.3Very low35.8Very low65 Ų65121.1 Ų121.167%0.6779%0.789SS**PPolyproline II helixtrans-60.8145.5172.400000111.5
260S33.9Very low35.4Very low113 Ų113127.1 Ų127.179%0.7980%0.797SS**PPolyproline II helixtrans-55.3141.8176.9-120000110.9G262S260-G262 PolarHBondContact O-N 3.47Å
261P34.3Very low35.1Very low127 Ų127127.3 Ų127.383%0.82580%0.799SS**PPolyproline II helixtrans-54.2134.9173.5-23.832.7000111.2
262G28.3Very low34.8Very low69 Ų69133.4 Ų133.471%0.71181%0.806SS**PPolyproline II helixtrans-59.8141.817300000111S260 C264S260-G262 PolarHBondContact O-N 3.47Å; G262-C264 PolarHBondContact O-N 3.04Å
263Q31.2Very low34.6Very low196 Ų196133.5 Ų133.592%0.91681%0.807SS**PPolyproline II helixtrans-57.2136.2173.5-75.8179.4-7.800110.4G265Q263-G265 PolarHBondContact O-N 2.95Å
264C29.6Very low34.5Very low127 Ų127133.9 Ų133.986%0.85881%0.811SS**PPolyproline II helixtrans-54.8126.9171.4-80.50000110.1G262G262-C264 PolarHBondContact O-N 3.04Å
265G29.1Very low34.4Very low74 Ų74138.1 Ų138.176%0.76382%0.817SS**PPolyproline II helixtrans-59.9141.3174.600000111.5Q263Q263-G265 PolarHBondContact O-N 2.95Å
266H33.5Very low34.4Very low197 Ų197139.1 Ų139.191%0.91282%0.815SS**PPolyproline II helixtrans-56.5140.1173.8-79.4-83.9000111.4G268H266-G268 PolarHBondContact O-N 3.43Å
267K34.9Very low34.6Very low208 Ų208142.3 Ų142.390%0.90482%0.815SS**PPolyproline II helixtrans-55.9124173-165175.9-173.9177.50109.3
268G32.4Very low34.8Very low67 Ų67142 Ų14269%0.69181%0.812SS**PPolyproline II helixtrans-57.1141.4-179.900000112.2H266H266-G268 PolarHBondContact O-N 3.43Å
269Q37.5Very low34.8Very low197 Ų197147.3 Ų147.392%0.92182%0.816SS**PPolyproline II helixtrans-59.2144.6173.5-77.3-173.821.700111G271Q269-G271 PolarHBondContact O-N 2.9Å
270R37.3Very low35.1Very low242 Ų242150.5 Ų150.591%0.91382%0.822SS**PPolyproline II helixtrans-57.8127.1173.7-171.2178.6-171.1179.52.6109.5
271G34.2Very low35Very low67 Ų67148.7 Ų148.769%0.69182%0.821SS**PPolyproline II helixtrans-57.7138.1175.600000111.7Q269Q269-G271 PolarHBondContact O-N 2.9Å
272R41.1Very low35.4Very low243 Ų243148.2 Ų148.292%0.91782%0.818SS**PPolyproline II helixtrans-63145.3171.4-76.5-175.2174.6-173.2-0.5110.1G274R272-G274 PolarHBondContact O-N 3.03Å
273P42.1Very low35.9Very low128 Ų128150.8 Ų150.883%0.83182%0.822SS**PPolyproline II helixtrans-57.6129.3170-19.130.4000110.5
274G36.5Very low36.2Very low72 Ų72145.2 Ų145.274%0.74282%0.818SS**PPolyproline II helixtrans-70.4128.4177.700000111.1R272R272-G274 PolarHBondContact O-N 3.03Å
275K38.4Very low36.7Very low212 Ų212147.4 Ų147.492%0.92282%0.815SS**PPolyproline II helixtrans-99.6128.2168.2-128.3-179.9-176.9-172.60109
276L38Very low37.5Very low147 Ų147149.6 Ų149.677%0.7782%0.816SS**PPolyproline II helixtrans-65136-174.3-79.988.4000112.8
277I34.6Very low37.8Very low130 Ų130143.8 Ų143.867%0.66781%0.81SS**  72.3115.7129.8-57.9174.3000120.1
278Q39.1Very low38Very low176 Ų176144.8 Ų144.882%0.82281%0.808SS**  trans59.8110.7138.3-63.2174.2-10.200123.7
279R36.3Very low38.6Very low237 Ų237147.4 Ų147.489%0.89481%0.812SS**  trans36.9107.3130.3-66.2-176.885.9-161.67.1120.6
280T35.1Very low38.5Very low132 Ų132141.5 Ų141.581%0.8180%0.804SS**  141114116.9-51.30000108.1
281G32.2Very low38.6Very low74 Ų74139.3 Ų139.376%0.76381%0.805SS**  trans-80.2149.8-16200000115.5
282P41.6Very low38.7Very low118 Ų118144.7 Ų144.777%0.76681%0.814SS**  trans-104.5171.4159.116.24.4000112.6
283P39.7Very low38.3Very low123 Ų123135.6 Ų135.680%0.79980%0.796SS**SBendtrans-59.7159.4-161.5-24.334.5000116.9
284G36.3Very low38Very low79 Ų79135.4 Ų135.481%0.81479%0.794SS**PPolyproline II helixtrans-53.4133.5-172.400000114.9
285E40.1Very low38Very low172 Ų172137.8 Ų137.880%0.80480%0.797SS**PPolyproline II helixtrans-66.7140.2178.5-67.7-169.6146.400111.6
286P47.4Very low37.7Very low120 Ų120131 Ų13178%0.77979%0.788SS**PPolyproline II helixtrans-52.9148.5169-25.134000112.3R288P286-R288 PolarHBondContact O-N 2.79Å
287G38.9Very low37.2Very low76 Ų76130.4 Ų130.478%0.78479%0.794SS**PPolyproline II helixtrans-50.6133.2-179.900000112.2
288R40.4Very low37.1Very low228 Ų228130.9 Ų130.986%0.8680%0.803SS**PPolyproline II helixtrans-57.6133.1179.5-68.9-175.5178.4-151.7-1.9109.9P286P286-R288 PolarHBondContact O-N 2.79Å
289P44.8Very low36.6Very low122 Ų122125 Ų12579%0.79279%0.79SS**PPolyproline II helixtrans-52.4142.9166.1-24.233.4000110.4Q291P289-Q291 PolarHBondContact O-N 2.91Å
290G35.6Very low36.6Very low73 Ų73120 Ų12075%0.75379%0.788SS**PPolyproline II helixtrans-51.8139.9177.100000111.2M292G290-M292 PolarHBondContact O-N 3.39Å
291Q38.5Very low36.4Very low197 Ų197123.3 Ų123.392%0.92179%0.785SS**PPolyproline II helixtrans-58.3126.1177.1-71-178.729.500109.2P289 G293P289-Q291 PolarHBondContact O-N 2.91Å; Q291-G293 PolarHBondContact O-N 3.43Å
292M36.2Very low36.5Very low180 Ų180122.1 Ų122.189%0.88777%0.773SS**PPolyproline II helixtrans-56.5134.5167.1-174.5168.964.900108.5G290G290-M292 PolarHBondContact O-N 3.39Å
293G32.1Very low36.4Very low52 Ų52123 Ų12354%0.53678%0.779SS.*PPolyproline II helixtrans-54.5151.117900000111.7Q291Q291-G293 PolarHBondContact O-N 3.43Å
294P36.9Very low36.2Very low123 Ų123122.1 Ų122.180%0.79977%0.767SS**PPolyproline II helixtrans-56.6142.9178.824.8-33.2000110.3G296P294-G296 PolarHBondContact O-N 3.46Å
295P36.3Very low36.1Very low123 Ų123121.5 Ų121.580%0.79976%0.761SS**PPolyproline II helixtrans-53.9140.7171.5-23.332.6000110.7
296G30.8Very low35.9Very low70 Ų70123.5 Ų123.572%0.72277%0.767SS**PPolyproline II helixtrans-54.1142.917400000111.3P294 V298P294-G296 PolarHBondContact O-N 3.46Å; G296-V298 PolarHBondContact O-N 3.29Å
297C28.6Very low35.4Very low133 Ų133124 Ų12490%0.89977%0.768SS**PPolyproline II helixtrans-53.6125.4-178.5-55.30000110.9G299C297-G299 PolarHBondContact O-N 2.89Å
298V31.6Very low35.3Very low141 Ų141123.4 Ų123.486%0.85576%0.762SS**PPolyproline II helixtrans-62.7128.2167.1179.30000107.6G296G296-V298 PolarHBondContact O-N 3.29Å
299G29.6Very low35.1Very low53 Ų53120.7 Ų120.755%0.54676%0.764SS.*PPolyproline II helixtrans-54.1150.2177.600000111.7C297 R301C297-G299 PolarHBondContact O-N 2.89Å; G299-R301 PolarHBondContact O-N 3.37Å
300P35.5Very low35.1Very low132 Ų132120.6 Ų120.686%0.85776%0.763SS**PPolyproline II helixtrans-57.4129.8-175.823.7-32.8000110.6G302P300-G302 PolarHBondContact O-N 2.93Å
301R32.2Very low35.6Very low200 Ų200120 Ų12076%0.75576%0.757SS**PPolyproline II helixtrans-60.1132168.2-179.6176.8170.51632.9108.1G299 N304G299-R301 PolarHBondContact O-N 3.37Å; R301-N304 VanDerWaalsContact CZ-OD1 3.24Å; R301-N304 PolarHBondContact NE-OD1 2.88Å; R301-N304 PolarHBondContact NH2-ND2 3.28Å; R301-N304 PolarHBondContact NH2-OD1 2.96Å
302G33.9Very low36.2Very low50 Ų50116.6 Ų116.652%0.51575%0.752SS.*PPolyproline II helixtrans-52.6150.617300000111.3P300 N304P300-G302 PolarHBondContact O-N 2.93Å; G302-N304 PolarHBondContact O-N 2.76Å; G302-N304 VanDerWaalsContact O-N 3.12Å
303P38.3Very low36.3Very low135 Ų135114.1 Ų114.188%0.87775%0.751SS**PPolyproline II helixtrans-57.7121.6-172.823.4-32.5000110.3
304N35.7Very low37Very low105 Ų105114.5 Ų114.556%0.56175%0.754SS**PPolyproline II helixtrans-63.6138168-78.1-6.1000108.5R301 G302 K306R301-N304 VanDerWaalsContact CZ-OD1 3.24Å; R301-N304 PolarHBondContact NE-OD1 2.88Å; R301-N304 PolarHBondContact NH2-ND2 3.28Å; R301-N304 PolarHBondContact NH2-OD1 2.96Å; G302-N304 PolarHBondContact O-N 2.76Å; G302-N304 VanDerWaalsContact O-N 3.12Å; N304-K306 PolarHBondContact O-N 3.3Å
305G35.3Very low37.8Very low67 Ų67114.4 Ų114.469%0.69175%0.754SS**PPolyproline II helixtrans-50.5140.7172.500000110.9V307G305-V307 PolarHBondContact O-N 3.43Å
306K35.8Very low38.3Very low213 Ų213114.6 Ų114.693%0.92676%0.755SS**  trans-53.9113.3-174.9-65.5-178-179.9-1790109.8N304 G308N304-K306 PolarHBondContact O-N 3.3Å; K306-G308 PolarHBondContact O-N 3.27Å
307V37.5Very low38.8Very low132 Ų132114.6 Ų114.680%0.876%0.755SS**PPolyproline II helixtrans-61.7130.9167.1178.20000106.8G305 L309G305-V307 PolarHBondContact O-N 3.43Å; V307-L309 PolarHBondContact O-N 2.97Å
308G36.2Very low39.8Very low63 Ų63116.9 Ų116.965%0.64975%0.753SS**PPolyproline II helixtrans-51.5137.3174.600000110K306K306-G308 PolarHBondContact O-N 3.27Å
309L36.1Very low40.8Very low171 Ų171116.1 Ų116.190%0.89575%0.751SS**PPolyproline II helixtrans-52.2130.1-179.8-74.9157.9000109.2V307 G311V307-L309 PolarHBondContact O-N 2.97Å; L309-G311 PolarHBondContact O-N 3.44Å
310P44.3Very low41.3Very low119 Ų119117 Ų11777%0.77376%0.759SS**PPolyproline II helixtrans-50.9136.2168.1-24.233.2000109.2
311G45.7Very low41.7Very low61 Ų61121.3 Ų121.363%0.62976%0.76SS**PPolyproline II helixtrans-53.3150.4170.500000110.1L309 C313L309-G311 PolarHBondContact O-N 3.44Å; G311-C313 PolarHBondContact O-N 3.05Å
312P51.5Low42.5Very low126 Ų126117.6 Ų117.682%0.81876%0.762SS**PPolyproline II helixtrans-53.7136.7179.323.6-32.9000109.7G314P312-G314 PolarHBondContact O-N 2.93Å
313C39.3Very low42.7Very low128 Ų128118.5 Ų118.587%0.86577%0.772SS**PPolyproline II helixtrans-53.1135.4169-81.60000108.8G311G311-C313 PolarHBondContact O-N 3.05Å
314G46.5Very low42.9Very low59 Ų59124 Ų12461%0.60878%0.775SS**PPolyproline II helixtrans-55.9152.9169.300000110.5P312P312-G314 PolarHBondContact O-N 2.93Å
315P53.3Low43.3Very low122 Ų122126.6 Ų126.679%0.79279%0.789SS**PPolyproline II helixtrans-55.6145.5177.624.5-33.5000110.4G317P315-G317 PolarHBondContact O-N 2.96Å
316P46.7Very low43.4Very low126 Ų126126.7 Ų126.782%0.81879%0.79SS**PPolyproline II helixtrans-52.1139.2170.9-23.733.2000110.5
317G42Very low43.8Very low71 Ų71125.5 Ų125.573%0.73279%0.788SS**PPolyproline II helixtrans-59.2148.6171.700000111P315P315-G317 PolarHBondContact O-N 2.96Å
318E49.3Very low44.3Very low181 Ų181125.1 Ų125.185%0.84679%0.788SS**PPolyproline II helixtrans-55.6138.5178.2-66.7-170.9149.800111G320E318-G320 PolarHBondContact O-N 3.48Å
319P51.9Low44.4Very low125 Ų125125.5 Ų125.581%0.81279%0.792SS**PPolyproline II helixtrans-54136172.5-24.233.5000110.9
320G40Very low45Very low70 Ų70123.1 Ų123.172%0.72279%0.789SS**PPolyproline II helixtrans-60.2145.8171.900000111.1E318E318-G320 PolarHBondContact O-N 3.48Å
321Y44.8Very low45Very low223 Ų223125.5 Ų125.588%0.87579%0.794SS**PPolyproline II helixtrans-54.4139.1175.9-67.5-76.6000111.2
322P48.2Very low44.8Very low122 Ų122125.1 Ų125.179%0.79279%0.79SS**PPolyproline II helixtrans-52.6141170.3-24.433.3000111.1
323G37.5Very low44.7Very low70 Ų70124.8 Ų124.872%0.72279%0.788SS**PPolyproline II helixtrans-59.6147.7169.600000110.3
324R43.5Very low45.1Very low249 Ų249124.8 Ų124.894%0.9479%0.786SS**PPolyproline II helixtrans-59.7138.9171.6-75-176171.2-166.7-3.2109.8
325D44.6Very low44.6Very low160 Ų160125.5 Ų125.586%0.85679%0.793SS**PPolyproline II helixtrans-54.3141172.7-62.4-37.3000110.7
326G35.7Very low44.2Very low70 Ų70123.4 Ų123.472%0.72279%0.794SS**PPolyproline II helixtrans-64.4139.5170.100000110
327Q45.2Very low44.1Very low188 Ų188125.6 Ų125.688%0.87980%0.797SS**PPolyproline II helixtrans-60.6138.5172.3-75.3-176.5-11.700109.9G329Q327-G329 PolarHBondContact O-N 3.38Å
328P49Very low43.9Very low124 Ų124125.2 Ų125.281%0.80579%0.793SS**PPolyproline II helixtrans-52.1139.1171.1-25.233.5000111
329G38.1Very low43.7Very low71 Ų71122 Ų12273%0.73279%0.79SS**PPolyproline II helixtrans-59.4145.7171.300000110.6Q327 I331Q327-G329 PolarHBondContact O-N 3.38Å; G329-I331 PolarHBondContact O-N 3.48Å
330S47.6Very low43.6Very low120 Ų120122.1 Ų122.184%0.83979%0.791SS**PPolyproline II helixtrans-57.7135.1173.249.60000110.6G332S330-G332 PolarHBondContact O-N 3Å
331I45.3Very low43.4Very low170 Ų170122.3 Ų122.387%0.87279%0.793SS**PPolyproline II helixtrans-56125.8171.8-62.6171.1000108G329G329-I331 PolarHBondContact O-N 3.48Å
332G39.8Very low43.4Very low52 Ų52120.7 Ų120.754%0.53679%0.793SS.*PPolyproline II helixtrans-61.7150.5175.300000110.9S330S330-G332 PolarHBondContact O-N 3Å
333P50.2Low43.2Very low120 Ų120120.9 Ų120.978%0.77979%0.794SS**PPolyproline II helixtrans-57.6147.3176.525.6-33.7000110.6G335P333-G335 PolarHBondContact O-N 3.19Å
334P47.1Very low43.2Very low127 Ų127121.1 Ų121.183%0.82580%0.797SS**PPolyproline II helixtrans-51.3139.2171.2-24.633.3000110.8
335G37.7Very low43.2Very low74 Ų74115 Ų11576%0.76379%0.793SS**PPolyproline II helixtrans-56.9140.3172.300000110.4P333P333-G335 PolarHBondContact O-N 3.19Å
336G44.8Very low42.7Very low78 Ų78111.1 Ų111.180%0.80478%0.777SS**PPolyproline II helixtrans-58.2144.2174.500000111.1G338G336-G338 PolarHBondContact O-N 3.2Å
337I44.3Very low43.3Very low173 Ų173112.6 Ų112.689%0.88778%0.782SS**PPolyproline II helixtrans-58.5125.9171.6-62.9171.2000107.6
338G37Very low43.4Very low62 Ų62112.3 Ų112.364%0.63978%0.781SS**PPolyproline II helixtrans-61.4139.2175.500000111G336G336-G338 PolarHBondContact O-N 3.2Å
339S45.9Very low42.7Very low114 Ų114110.4 Ų110.480%0.79777%0.769SS**PPolyproline II helixtrans-56.4140.9175.4-39.90000110.7G341S339-G341 PolarHBondContact O-N 3.39Å
340P48.8Very low43.2Very low128 Ų128112.7 Ų112.783%0.83177%0.771SS**PPolyproline II helixtrans-53.3136.6169.4-24.433.7000110.9
341G36.7Very low43.2Very low73 Ų73112.8 Ų112.875%0.75377%0.767SS**PPolyproline II helixtrans-62.9146.3176.700000111.7S339S339-G341 PolarHBondContact O-N 3.39Å
342E44.4Very low43.2Very low189 Ų189110.7 Ų110.788%0.88376%0.764SS**PPolyproline II helixtrans-60.5140.7175.4-69-166.8142.200111G344E342-G344 PolarHBondContact O-N 3.38Å
343P44.3Very low43.2Very low126 Ų126119.2 Ų119.282%0.81878%0.78SS**PPolyproline II helixtrans-57.5125.2173.1-22.232.1000110.9S345P343-S345 PolarHBondContact O-N 3.11Å; P343-S345 VanDerWaalsContact O-N 3.12Å
344G37.9Very low43.2Very low75 Ų75120.1 Ų120.177%0.77378%0.784SS**  trans-62.9113.6175.200000111E342 C346E342-G344 PolarHBondContact O-N 3.38Å; G344-C346 PolarHBondContact O-N 3.24Å
345S42.8Very low42.9Very low122 Ų122118.8 Ų118.885%0.85378%0.783SS**  trans-79.495.4172.961.70000109.8P343P343-S345 PolarHBondContact O-N 3.11Å; P343-S345 VanDerWaalsContact O-N 3.12Å
346C35Very low43.4Very low77 Ų77121 Ų12152%0.5278%0.784SS.*  trans-82.4115166.842.80000109.5G344 H348 C349G344-C346 PolarHBondContact O-N 3.24Å; C346-H348 PolarHBondContact O-N 3.36Å; C346-C349 PolarHBondContact O-N 3.32Å; C346-C349 VanDerWaalsContact SG-CB 3.53Å; C346-C349 PolarHBondContact SG-SG 3.28Å
347A48Very low43.2Very low101 Ų101120 Ų12084%0.83577%0.774SS**THydrogen-bonded Turntrans-66.28.1179.400000114.6
348H46.3Very low42.8Very low183 Ų183126.8 Ų126.885%0.84779%0.79SS**THydrogen-bonded Turntrans-131.611.2-175.9-92.141.3000113.9C346C346-H348 PolarHBondContact O-N 3.36Å
349C35.2Very low43Very low84 Ų84130 Ų13057%0.56880%0.798SS**SBendtrans-101.3127.4172.2-73.60000111.2C346 T351C346-C349 PolarHBondContact O-N 3.32Å; C346-C349 VanDerWaalsContact SG-CB 3.53Å; C346-C349 PolarHBondContact SG-SG 3.28Å; C349-T351 PolarHBondContact O-N 3.5Å
350P47.2Very low42.9Very low119 Ų119130.8 Ų130.877%0.77380%0.798SS**PPolyproline II helixtrans-62.9129.5170.725.4-30.6000109.2
351T49Very low42.6Very low122 Ų122131 Ų13175%0.74880%0.796SS**PPolyproline II helixtrans-49.1123.1-176.851.40000112.5C349 R353C349-T351 PolarHBondContact O-N 3.5Å; T351-R353 PolarHBondContact O-N 2.98Å
352P44.7Very low42.9Very low126 Ų126134.4 Ų134.482%0.81880%0.799SS**  trans-73.4112.8163.727.2-27.7000108.9T354P352-T354 PolarHBondContact O-N 3.39Å
353R40.3Very low42.8Very low231 Ų231131 Ų13187%0.87279%0.794SS**  trans-70.7101.2163-67.5-177.4-173.2-1571.9108T351T351-R353 PolarHBondContact O-N 2.98Å
354T49Very low42.7Very low139 Ų139131.3 Ų131.385%0.85379%0.792SS**  trans166.3132.2137.823.20000110.9P352P352-T354 PolarHBondContact O-N 3.39Å
355A41.7Very low43.1Very low98 Ų98135.4 Ų135.481%0.8179%0.793SS**  trans-88.3144.4169.900000110.4
356P47.8Very low43.1Very low121 Ų121136.4 Ų136.479%0.78679%0.789SS**  trans-100.1130.3148.75.914.2000108.1
357G40.1Very low43.8Very low57 Ų57141.3 Ų141.359%0.58881%0.811SS**  cis75.496.122.700000109.7
358Y35.8Very low43.4Very low315 Ų315145 Ų145100%1.23581%0.809SS**  trans84.20-176.1-51.1-75.7000116.7

Retrieved 358 of 358 residues in 255.4 ms (Link to these results)