X6RC97_HUMAN Loading...

Ubiquitin carboxyl-terminal hydrolase MINDY

Hydrolase that can remove 'Lys-48'-linked conjugated ubiquitin from proteins.

AlphaFold DB , UniProt , Accession X6RC97, Species HUMAN (Homo sapiens, Human), Gene MINDY3, Length 164 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
1M39.2Very low66.1Low243 Ų243161.3 Ų161.3100%1.19777%0.768SS**  0107.30-156.4173.1-177.200107.9R3M1-R3 PolarHBondContact O-N 2.9Å
2K38.3Very low68.3Low200 Ų200167.8 Ų167.887%0.8778%0.78SS**  trans-69.1119.1-178.6-75.9-179.4177178.80108.4F4K2-F4 PolarHBondContact O-N 3.13Å; K2-F4 VanDerWaalsContact O-N 3.08Å
3R44.8Very low70.4Confident243 Ų243159.5 Ų159.592%0.91775%0.752SS**  trans-61.7108.3170.2-84.9179166.8177.3-4.3107.7M1 P5M1-R3 PolarHBondContact O-N 2.9Å; R3-P5 WeakPolarHBondContact O-CD 3.41Å
4F51.6Low71.9Confident194 Ų194157.9 Ų157.985%0.85175%0.749SS**  trans-67.4118.7159.8-78.6-89.1000106.6K2 A6K2-F4 PolarHBondContact O-N 3.13Å; K2-F4 VanDerWaalsContact O-N 3.08Å; F4-A6 VanDerWaalsContact C-N 3.33Å; F4-A6 PolarHBondContact O-N 3.42Å
5P55.8Low73.6Confident122 Ų122152.7 Ų152.779%0.79273%0.734SS**  trans-71.494.6177.927.9-31.1000108.4R3 K7R3-P5 WeakPolarHBondContact O-CD 3.41Å; P5-K7 PolarHBondContact O-N 3.39Å; P5-K7 VanDerWaalsContact O-N 3.11Å
6A67.5Low74.9Confident75 Ų75148 Ų14862%0.6271%0.711SS**  trans-62.9111.5167.100000108F4 K8 L43F4-A6 VanDerWaalsContact C-N 3.33Å; F4-A6 PolarHBondContact O-N 3.42Å; A6-K8 PolarHBondContact O-N 3.32Å; A6-L43 HydrophobicContact CB-CD1 3.79Å
7K77.1Confident75.9Confident179 Ų179143.5 Ų143.578%0.77869%0.691SS**  trans-85.3106.8178-168.8177.8-175.9179.70108.6P5 R9P5-K7 PolarHBondContact O-N 3.39Å; P5-K7 VanDerWaalsContact O-N 3.11Å; K7-R9 PolarHBondContact O-N 3.04Å
8K82.7Confident76.8Confident187 Ų187142.7 Ų142.781%0.81368%0.684SS**  trans-61.6124.4171.4-171.2176.8-178.7176.70108.9A6A6-K8 PolarHBondContact O-N 3.32Å
9R87.6Confident77.7Confident157 Ų157140 Ų14059%0.59267%0.673SS**  trans-111.4140.8168.8-63.6-175.7-173.2-1752.3107.7K7 F11K7-R9 PolarHBondContact O-N 3.04Å; R9-F11 HydrophobicContact CB-CE2 4.22Å; R9-F11 HydrophobicContact CB-CZ 4.04Å
10S89.9Confident78.3Confident99 Ų99134 Ų13469%0.69265%0.648SS**  trans-118.1135.7175-69.20000108.1
11F92.4Very high78.8Confident75 Ų75130.1 Ų130.133%0.32963%0.632SS.*  trans-112.6144.6179.6-55.3-78.9000108.4R9 E16 L17 A20R9-F11 HydrophobicContact CB-CE2 4.22Å; R9-F11 HydrophobicContact CB-CZ 4.04Å; F11-E16 HydrophobicContact CB-CB 4.5Å; F11-E16 HydrophobicContact CB-CG 4.44Å; F11-E16 HydrophobicContact CD1-CG 3.92Å; F11-L17 HydrophobicContact CB-CB 4.12Å; F11-L17 HydrophobicContact CD2-CB 4.25Å; F11-L17 HydrophobicContact CD2-CD1 3.47Å; F11-L17 VanDerWaalsContact CD2-CD1 3.47Å; F11-L17 HydrophobicContact CD2-CG 4.45Å; F11-L17 HydrophobicContact CE2-CD1 3.65Å; F11-L17 HydrophobicContact CG-CB 4.17Å; F11-L17 HydrophobicContact CG-CD1 4.22Å; F11-A20 HydrophobicContact CD1-CB 4.13Å; F11-A20 HydrophobicContact CE1-CB 3.23Å; F11-A20 HydrophobicContact CZ-CB 3.46Å; F11-A20 VanDerWaalsContact CZ-CB 3.46Å
12R93.2Very high81.2Confident240 Ų240123.1 Ų123.191%0.90660%0.599SS**SBendtrans-91.2-13.5-175.5-60.7180-179.2-178.4-0.4112.4E16R12-E16 PolarHBondContact N-OE2 3.49Å
13S95.5Very high83.7Confident59 Ų59119.4 Ų119.441%0.41359%0.589SS.*SBendtrans-151.5159-177.1720000112.4E16 L17S13-E16 PolarHBondContact O-N 3.35Å; S13-E16 WeakPolarHBondContact OG-CB 3.37Å; S13-E16 PolarHBondContact OG-N 2.87Å; S13-L17 PolarHBondContact O-N 3.02Å; S13-L17 VanDerWaalsContact O-N 3.07Å
14L91.6Very high85.7Confident137 Ų137110.9 Ų110.972%0.71756%0.559SS**Hα-helixtrans-62.5-41.3175.5-179.564.9000113.2E16 L17 K18L14-E16 PolarHBondContact O-N 3.17Å; L14-L17 HydrophobicContact CD1-CD2 4.4Å; L14-L17 PolarHBondContact O-N 3.32Å; L14-K18 WeakPolarHBondContact O-CB 3.38Å; L14-K18 PolarHBondContact O-N 3.07Å
15P96.1Very high87.4Confident80 Ų80109.5 Ų109.552%0.51955%0.55SS..Hα-helixtrans-58.7-45.2173.7-26.236000112.9L17 K18 D19P15-L17 VanDerWaalsContact C-N 3.34Å; P15-L17 PolarHBondContact O-N 3.4Å; P15-K18 WeakPolarHBondContact O-CB 3.36Å; P15-K18 PolarHBondContact O-N 2.78Å; P15-K18 VanDerWaalsContact O-N 3.13Å; P15-D19 VanDerWaalsContact O-CG 3.31Å; P15-D19 PolarHBondContact O-N 2.88Å
16E95.3Very high88.9Confident78 Ų78107.8 Ų107.836%0.36454%0.541SS..Hα-helixtrans-62.1-42178.4-169.2-164.9166.200111.9F11 R12 S13 L14 A20F11-E16 HydrophobicContact CB-CB 4.5Å; F11-E16 HydrophobicContact CB-CG 4.44Å; F11-E16 HydrophobicContact CD1-CG 3.92Å; R12-E16 PolarHBondContact N-OE2 3.49Å; S13-E16 PolarHBondContact O-N 3.35Å; S13-E16 WeakPolarHBondContact OG-CB 3.37Å; S13-E16 PolarHBondContact OG-N 2.87Å; L14-E16 PolarHBondContact O-N 3.17Å; E16-A20 WeakPolarHBondContact O-CB 3.32Å; E16-A20 PolarHBondContact O-N 3.26Å
17L91.5Very high89.9Confident71 Ų71108.2 Ų108.237%0.37253%0.531SS..Hα-helixtrans-61.4-45.7173.4174.164.7000111.1F11 S13 L14 P15 A20 V21F11-L17 HydrophobicContact CB-CB 4.12Å; F11-L17 HydrophobicContact CD2-CB 4.25Å; F11-L17 HydrophobicContact CD2-CD1 3.47Å; F11-L17 VanDerWaalsContact CD2-CD1 3.47Å; F11-L17 HydrophobicContact CD2-CG 4.45Å; F11-L17 HydrophobicContact CE2-CD1 3.65Å; F11-L17 HydrophobicContact CG-CB 4.17Å; F11-L17 HydrophobicContact CG-CD1 4.22Å; S13-L17 PolarHBondContact O-N 3.02Å; S13-L17 VanDerWaalsContact O-N 3.07Å; L14-L17 HydrophobicContact CD1-CD2 4.4Å; L14-L17 PolarHBondContact O-N 3.32Å; P15-L17 VanDerWaalsContact C-N 3.34Å; P15-L17 PolarHBondContact O-N 3.4Å; L17-A20 PolarHBondContact O-N 3.12Å; L17-V21 HydrophobicContact CD1-CG2 4.05Å; L17-V21 HydrophobicContact CG-CG2 4.41Å; L17-V21 WeakPolarHBondContact O-CB 3.1Å; L17-V21 VanDerWaalsContact O-CG2 3.25Å; L17-V21 WeakPolarHBondContact O-CG2 3.37Å; L17-V21 PolarHBondContact O-N 3.27Å
18K91.9Very high90.3Very high130 Ų130102.7 Ų102.757%0.56551%0.505SS*.Hα-helixtrans-59.4-48.4-179.9179.6-172.7173.2-172.40110.9L14 P15 V21 L22L14-K18 WeakPolarHBondContact O-CB 3.38Å; L14-K18 PolarHBondContact O-N 3.07Å; P15-K18 WeakPolarHBondContact O-CB 3.36Å; P15-K18 PolarHBondContact O-N 2.78Å; P15-K18 VanDerWaalsContact O-N 3.13Å; K18-V21 PolarHBondContact O-N 2.9Å; K18-L22 HydrophobicContact CG-CD1 4.07Å; K18-L22 WeakPolarHBondContact O-CG 3.35Å; K18-L22 PolarHBondContact O-N 3.11Å
19D93.8Very high90.6Very high91 Ų9196.9 Ų96.949%0.48750%0.498SS..Hα-helixtrans-63-45.9-179.8-65.5-18.9000110.5P15 V21 L22 D23P15-D19 VanDerWaalsContact O-CG 3.31Å; P15-D19 PolarHBondContact O-N 2.88Å; D19-V21 VanDerWaalsContact C-N 3.29Å; D19-V21 PolarHBondContact O-N 3.23Å; D19-L22 PolarHBondContact O-N 3.47Å; D19-L22 VanDerWaalsContact O-N 3.17Å; D19-D23 PolarHBondContact O-N 2.94Å
20A90.4Very high90.7Very high20 Ų2094.6 Ų94.617%0.16550%0.498CS..Hα-helixtrans-62.4-35.1176.800000113.3F11 E16 L17 Q24F11-A20 HydrophobicContact CD1-CB 4.13Å; F11-A20 HydrophobicContact CE1-CB 3.23Å; F11-A20 HydrophobicContact CZ-CB 3.46Å; F11-A20 VanDerWaalsContact CZ-CB 3.46Å; E16-A20 WeakPolarHBondContact O-CB 3.32Å; E16-A20 PolarHBondContact O-N 3.26Å; L17-A20 PolarHBondContact O-N 3.12Å; A20-Q24 WeakPolarHBondContact O-CG 3.46Å; A20-Q24 PolarHBondContact O-N 2.83Å
21V87.6Confident90.8Very high52 Ų5298.1 Ų98.132%0.31550%0.501SS..Hα-helixtrans-66.7-45.8174.2159.60000110.9L17 K18 D19 D23 Q24 Y25 W28L17-V21 HydrophobicContact CD1-CG2 4.05Å; L17-V21 HydrophobicContact CG-CG2 4.41Å; L17-V21 WeakPolarHBondContact O-CB 3.1Å; L17-V21 VanDerWaalsContact O-CG2 3.25Å; L17-V21 WeakPolarHBondContact O-CG2 3.37Å; L17-V21 PolarHBondContact O-N 3.27Å; K18-V21 PolarHBondContact O-N 2.9Å; D19-V21 VanDerWaalsContact C-N 3.29Å; D19-V21 PolarHBondContact O-N 3.23Å; V21-D23 VanDerWaalsContact C-N 3.33Å; V21-D23 PolarHBondContact O-N 3.33Å; V21-Q24 PolarHBondContact O-N 3.39Å; V21-Q24 VanDerWaalsContact O-N 3.12Å; V21-Y25 PolarHBondContact O-N 3.29Å; V21-W28 HydrophobicContact CB-CH2 4.08Å; V21-W28 HydrophobicContact CB-CZ3 4.47Å; V21-W28 HydrophobicContact CG1-CH2 3.5Å; V21-W28 VanDerWaalsContact CG1-CH2 3.5Å; V21-W28 HydrophobicContact CG1-CZ3 3.44Å; V21-W28 VanDerWaalsContact CG1-CZ3 3.44Å; V21-W28 HydrophobicContact CG2-CH2 3.87Å
22L90.3Very high90.7Very high97 Ų97100.9 Ų100.951%0.50851%0.513SS..Hα-helixtrans-64.4-37.7178.2-70.1173000112K18 D19 Q24 Y25K18-L22 HydrophobicContact CG-CD1 4.07Å; K18-L22 WeakPolarHBondContact O-CG 3.35Å; K18-L22 PolarHBondContact O-N 3.11Å; D19-L22 PolarHBondContact O-N 3.47Å; D19-L22 VanDerWaalsContact O-N 3.17Å; L22-Q24 PolarHBondContact O-N 3.41Å; L22-Y25 WeakPolarHBondContact O-CB 3.25Å; L22-Y25 PolarHBondContact O-N 2.88Å
23D91.4Very high90.6Very high122 Ų12289.5 Ų89.565%0.65247%0.47SS*.Hα-helixtrans-62.6-25.3174.6-75.1-14.2000113D19 V21D19-D23 PolarHBondContact O-N 2.94Å; V21-D23 VanDerWaalsContact C-N 3.33Å; V21-D23 PolarHBondContact O-N 3.33Å
24Q87.4Confident90.4Very high63 Ų6392.2 Ų92.229%0.29448%0.484SS..THydrogen-bonded Turntrans-94.2-0176.1-60.1-56-76.700113.1A20 V21 L22 S26 M27 W28A20-Q24 WeakPolarHBondContact O-CG 3.46Å; A20-Q24 PolarHBondContact O-N 2.83Å; V21-Q24 PolarHBondContact O-N 3.39Å; V21-Q24 VanDerWaalsContact O-N 3.12Å; L22-Q24 PolarHBondContact O-N 3.41Å; Q24-S26 VanDerWaalsContact C-N 3.28Å; Q24-S26 PolarHBondContact O-N 3.49Å; Q24-M27 WeakPolarHBondContact O-CA 3.23Å; Q24-M27 VanDerWaalsContact O-CB 3.23Å; Q24-M27 WeakPolarHBondContact O-CB 3.33Å; Q24-M27 PolarHBondContact O-N 3.31Å; Q24-W28 HydrophobicContact CB-CZ2 4.49Å; Q24-W28 PolarHBondContact O-N 3.19Å
25Y86.4Confident90.3Very high165 Ų16589.3 Ų89.365%0.64747%0.469SS*.Hα-helixtrans-55.1-41.4-173.6-179.2-98.8000113.1V21 L22 M27 W28 G29V21-Y25 PolarHBondContact O-N 3.29Å; L22-Y25 WeakPolarHBondContact O-CB 3.25Å; L22-Y25 PolarHBondContact O-N 2.88Å; Y25-M27 VanDerWaalsContact C-N 3.26Å; Y25-M27 PolarHBondContact O-N 2.92Å; Y25-W28 PolarHBondContact O-N 2.61Å; Y25-W28 VanDerWaalsContact O-N 3.09Å; Y25-G29 PolarHBondContact O-N 2.67Å
26S88.2Confident90.1Very high86 Ų8689.4 Ų89.460%0.60146%0.464SS*.Hα-helixtrans-62.2-33.8177.963.10000112.4Q24 G29 N30Q24-S26 VanDerWaalsContact C-N 3.28Å; Q24-S26 PolarHBondContact O-N 3.49Å; S26-G29 PolarHBondContact O-N 3.01Å; S26-N30 VanDerWaalsContact O-CG 3.31Å; S26-N30 PolarHBondContact O-N 3.09Å; S26-N30 PolarHBondContact O-ND2 3.28Å
27M87.8Confident89.9Confident85 Ų8589.3 Ų89.342%0.41946%0.463SS..Hα-helixtrans-65.7-38.7174.3-171.2-176.6-61.900111.8Q24 Y25 N30 G33 L36Q24-M27 WeakPolarHBondContact O-CA 3.23Å; Q24-M27 VanDerWaalsContact O-CB 3.23Å; Q24-M27 WeakPolarHBondContact O-CB 3.33Å; Q24-M27 PolarHBondContact O-N 3.31Å; Y25-M27 VanDerWaalsContact C-N 3.26Å; Y25-M27 PolarHBondContact O-N 2.92Å; M27-N30 PolarHBondContact O-N 2.99Å; M27-G33 WeakPolarHBondContact O-CA 3.24Å; M27-L36 HydrophobicContact CG-CD1 4.02Å; M27-L36 HydrophobicContact SD-CD1 4.19Å
28W85.7Confident89.9Confident63 Ų6387 Ų8724%0.23945%0.451CS..Hα-helixtrans-77.3-24.7-179.4-59.7-12000113.2V21 Q24 Y25 N30 G33 F37V21-W28 HydrophobicContact CB-CH2 4.08Å; V21-W28 HydrophobicContact CB-CZ3 4.47Å; V21-W28 HydrophobicContact CG1-CH2 3.5Å; V21-W28 VanDerWaalsContact CG1-CH2 3.5Å; V21-W28 HydrophobicContact CG1-CZ3 3.44Å; V21-W28 VanDerWaalsContact CG1-CZ3 3.44Å; V21-W28 HydrophobicContact CG2-CH2 3.87Å; Q24-W28 HydrophobicContact CB-CZ2 4.49Å; Q24-W28 PolarHBondContact O-N 3.19Å; Y25-W28 PolarHBondContact O-N 2.61Å; Y25-W28 VanDerWaalsContact O-N 3.09Å; W28-N30 VanDerWaalsContact C-N 3.32Å; W28-G33 CarbonylContact O-C 3.44Å; W28-G33 VanDerWaalsContact O-CA 3.28Å; W28-G33 WeakPolarHBondContact O-CA 3.48Å; W28-F37 HydrophobicContact CD2-CB 4.45Å; W28-F37 HydrophobicContact CD2-CD2 4.07Å; W28-F37 AromaticContact CE3-CD2 3.87Å; W28-F37 HydrophobicContact CE3-CD2 3.87Å; W28-F37 HydrophobicContact CE3-CE2 4.41Å; W28-F37 HydrophobicContact CG-CB 4.47Å; W28-F37 AromaticContact CH2-CD2 3.71Å; W28-F37 HydrophobicContact CH2-CD2 3.71Å; W28-F37 AromaticContact CH2-CE2 3.91Å; W28-F37 HydrophobicContact CH2-CE2 3.91Å; W28-F37 AromaticContact CZ2-CD2 3.96Å; W28-F37 HydrophobicContact CZ2-CD2 3.96Å; W28-F37 AromaticContact CZ3-CD2 3.67Å; W28-F37 HydrophobicContact CZ3-CD2 3.67Å; W28-F37 AromaticContact CZ3-CE2 3.83Å; W28-F37 HydrophobicContact CZ3-CE2 3.83Å
29G88Confident89.9Confident65 Ų6587.3 Ų87.367%0.6745%0.449SS*.Hα-helixtrans-77.8-13.517100000114.4Y25 S26Y25-G29 PolarHBondContact O-N 2.67Å; S26-G29 PolarHBondContact O-N 3.01Å
30N90.8Very high89.8Confident109 Ų10985 Ų8558%0.58344%0.441SS*.SBendtrans-79172-179.5-83.6-47.2000112.8S26 M27 W28 F32 G33S26-N30 VanDerWaalsContact O-CG 3.31Å; S26-N30 PolarHBondContact O-N 3.09Å; S26-N30 PolarHBondContact O-ND2 3.28Å; M27-N30 PolarHBondContact O-N 2.99Å; W28-N30 VanDerWaalsContact C-N 3.32Å; N30-F32 PolarHBondContact O-N 3.17Å; N30-G33 WeakPolarHBondContact O-CA 3.27Å; N30-G33 PolarHBondContact O-N 3.08Å
31K92Very high90Very high173 Ų17385.4 Ų85.475%0.75244%0.441SS*.THydrogen-bonded Turntrans-52127.3172.5-167.4-177.8-177.4177.80109.9G33K31-G33 PolarHBondContact O-N 3.29Å
32F90.4Very high90.3Very high133 Ų13384 Ų8458%0.58343%0.432SS*.THydrogen-bonded Turntrans69.46.4-174.3-44.9-66.7000116.2N30 V34 L35 L36N30-F32 PolarHBondContact O-N 3.17Å; F32-V34 VanDerWaalsContact C-N 3.31Å; F32-V34 PolarHBondContact O-N 3.05Å; F32-L35 HydrophobicContact CB-CD1 4.47Å; F32-L35 HydrophobicContact CD1-CD1 4.08Å; F32-L35 WeakPolarHBondContact O-CB 3.45Å; F32-L35 PolarHBondContact O-N 3.38Å; F32-L36 PolarHBondContact O-N 3.04Å
33G91.1Very high90.4Very high1 Ų184.4 Ų84.41%0.0143%0.434CS..Hα-helixtrans-61.3-35.7-177.800000113.9M27 W28 N30 K31 L35 L36 F37M27-G33 WeakPolarHBondContact O-CA 3.24Å; W28-G33 CarbonylContact O-C 3.44Å; W28-G33 VanDerWaalsContact O-CA 3.28Å; W28-G33 WeakPolarHBondContact O-CA 3.48Å; N30-G33 WeakPolarHBondContact O-CA 3.27Å; N30-G33 PolarHBondContact O-N 3.08Å; K31-G33 PolarHBondContact O-N 3.29Å; G33-L35 VanDerWaalsContact C-N 3.32Å; G33-L35 PolarHBondContact O-N 3.41Å; G33-L36 PolarHBondContact O-N 3.09Å; G33-F37 PolarHBondContact O-N 2.85Å
34V90.1Very high90.5Very high116 Ų11684.5 Ų84.570%0.70344%0.439SS*.Hα-helixtrans-62.3-38.5173179.40000111.8F32 F37 L38F32-V34 VanDerWaalsContact C-N 3.31Å; F32-V34 PolarHBondContact O-N 3.05Å; V34-F37 PolarHBondContact O-N 3.24Å; V34-L38 WeakPolarHBondContact O-CB 3.47Å; V34-L38 PolarHBondContact O-N 3.34Å
35L91.3Very high90.9Very high76 Ų7683.7 Ų83.740%0.39843%0.434SS..Hα-helixtrans-68.6-39.2175.9-67.5174.2000111.5F32 G33 F37 L38 Y39F32-L35 HydrophobicContact CB-CD1 4.47Å; F32-L35 HydrophobicContact CD1-CD1 4.08Å; F32-L35 WeakPolarHBondContact O-CB 3.45Å; F32-L35 PolarHBondContact O-N 3.38Å; G33-L35 VanDerWaalsContact C-N 3.32Å; G33-L35 PolarHBondContact O-N 3.41Å; L35-F37 VanDerWaalsContact C-N 3.34Å; L35-L38 PolarHBondContact O-N 2.89Å; L35-Y39 VanDerWaalsContact O-CD2 3.31Å; L35-Y39 WeakPolarHBondContact O-CD2 3.24Å; L35-Y39 PolarHBondContact O-N 2.74Å
36L91.1Very high91.2Very high81 Ų8176.9 Ų76.942%0.42441%0.414SS..Hα-helixtrans-63.2-42.5174.4-67.4176.2000111.4M27 F32 G33 Y39 S40M27-L36 HydrophobicContact CG-CD1 4.02Å; M27-L36 HydrophobicContact SD-CD1 4.19Å; F32-L36 PolarHBondContact O-N 3.04Å; G33-L36 PolarHBondContact O-N 3.09Å; L36-Y39 PolarHBondContact O-N 2.69Å; L36-S40 PolarHBondContact O-N 3.39Å
37F90.3Very high91.4Very high76 Ų7676.5 Ų76.533%0.33341%0.405SS..Hα-helixtrans-60.5-47.5174.1176.6-105.8000110.9W28 G33 V34 L35 Y39 S40 V41 L77W28-F37 HydrophobicContact CD2-CB 4.45Å; W28-F37 HydrophobicContact CD2-CD2 4.07Å; W28-F37 AromaticContact CE3-CD2 3.87Å; W28-F37 HydrophobicContact CE3-CD2 3.87Å; W28-F37 HydrophobicContact CE3-CE2 4.41Å; W28-F37 HydrophobicContact CG-CB 4.47Å; W28-F37 AromaticContact CH2-CD2 3.71Å; W28-F37 HydrophobicContact CH2-CD2 3.71Å; W28-F37 AromaticContact CH2-CE2 3.91Å; W28-F37 HydrophobicContact CH2-CE2 3.91Å; W28-F37 AromaticContact CZ2-CD2 3.96Å; W28-F37 HydrophobicContact CZ2-CD2 3.96Å; W28-F37 AromaticContact CZ3-CD2 3.67Å; W28-F37 HydrophobicContact CZ3-CD2 3.67Å; W28-F37 AromaticContact CZ3-CE2 3.83Å; W28-F37 HydrophobicContact CZ3-CE2 3.83Å; G33-F37 PolarHBondContact O-N 2.85Å; V34-F37 PolarHBondContact O-N 3.24Å; L35-F37 VanDerWaalsContact C-N 3.34Å; F37-Y39 PolarHBondContact O-N 3.31Å; F37-S40 WeakPolarHBondContact O-CA 3.18Å; F37-S40 WeakPolarHBondContact O-CB 3.28Å; F37-S40 PolarHBondContact O-N 3.05Å; F37-S40 PolarHBondContact O-OG 3.23Å; F37-V41 HydrophobicContact CD1-CG2 4.5Å; F37-V41 HydrophobicContact CE1-CG2 4.04Å; F37-V41 HydrophobicContact CE2-CG2 4.3Å; F37-V41 HydrophobicContact CZ-CG2 3.93Å; F37-V41 PolarHBondContact O-N 3.03Å; F37-L77 HydrophobicContact CE1-CD2 4Å
38L92.8Very high91.7Very high22 Ų2277.6 Ų77.612%0.11541%0.409CS..Hα-helixtrans-56.9-48.6175.7176.462.1000111.9V34 L35 S40 V41 L42 I62 L73V34-L38 WeakPolarHBondContact O-CB 3.47Å; V34-L38 PolarHBondContact O-N 3.34Å; L35-L38 PolarHBondContact O-N 2.89Å; L38-S40 PolarHBondContact O-N 3.37Å; L38-V41 WeakPolarHBondContact O-CB 3.48Å; L38-V41 PolarHBondContact O-N 2.9Å; L38-V41 VanDerWaalsContact O-N 3.1Å; L38-L42 HydrophobicContact CD1-CD1 4.22Å; L38-L42 HydrophobicContact CD1-CD2 4.39Å; L38-L42 HydrophobicContact CD1-CG 4.09Å; L38-L42 HydrophobicContact CG-CD1 4.05Å; L38-L42 HydrophobicContact CG-CG 4.33Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 3.41Å; L38-I62 HydrophobicContact CD2-CD1 3.52Å; L38-L73 HydrophobicContact CD1-CD1 3.52Å; L38-L73 HydrophobicContact CD1-CD2 4.34Å
39Y92.2Very high92.1Very high137 Ų13778.8 Ų78.854%0.53742%0.42SS..Hα-helixtrans-59.6-36.4176.2-68.3-35.8000112.3L35 L36 F37 V41 L42 L43L35-Y39 VanDerWaalsContact O-CD2 3.31Å; L35-Y39 WeakPolarHBondContact O-CD2 3.24Å; L35-Y39 PolarHBondContact O-N 2.74Å; L36-Y39 PolarHBondContact O-N 2.69Å; F37-Y39 PolarHBondContact O-N 3.31Å; Y39-V41 VanDerWaalsContact C-N 3.34Å; Y39-V41 PolarHBondContact O-N 3.43Å; Y39-L42 HydrophobicContact CD1-CD1 4.41Å; Y39-L42 PolarHBondContact O-N 2.87Å; Y39-L43 VanDerWaalsContact O-CB 3.27Å; Y39-L43 WeakPolarHBondContact O-CB 3.39Å; Y39-L43 WeakPolarHBondContact O-CG 3.37Å; Y39-L43 PolarHBondContact O-N 2.95Å
40S90.9Very high92.5Very high44 Ų4476 Ų7631%0.30839%0.39SS..Hα-helixtrans-62.5-40.4175.482.60000112.2L36 F37 L38 T44L36-S40 PolarHBondContact O-N 3.39Å; F37-S40 WeakPolarHBondContact O-CA 3.18Å; F37-S40 WeakPolarHBondContact O-CB 3.28Å; F37-S40 PolarHBondContact O-N 3.05Å; F37-S40 PolarHBondContact O-OG 3.23Å; L38-S40 PolarHBondContact O-N 3.37Å; S40-T44 VanDerWaalsContact O-CB 3.24Å; S40-T44 WeakPolarHBondContact O-CB 3.01Å; S40-T44 PolarHBondContact O-N 2.94Å; S40-T44 PolarHBondContact O-OG1 2.96Å
41V93.8Very high92.5Very high28 Ų2875.6 Ų75.617%0.1738%0.383CS..Hα-helixtrans-65.2-51.2176.11740000110.6F37 L38 Y39 L43 T44 K45 L76 L77F37-V41 HydrophobicContact CD1-CG2 4.5Å; F37-V41 HydrophobicContact CE1-CG2 4.04Å; F37-V41 HydrophobicContact CE2-CG2 4.3Å; F37-V41 HydrophobicContact CZ-CG2 3.93Å; F37-V41 PolarHBondContact O-N 3.03Å; L38-V41 WeakPolarHBondContact O-CB 3.48Å; L38-V41 PolarHBondContact O-N 2.9Å; L38-V41 VanDerWaalsContact O-N 3.1Å; Y39-V41 VanDerWaalsContact C-N 3.34Å; Y39-V41 PolarHBondContact O-N 3.43Å; V41-L43 VanDerWaalsContact C-N 3.34Å; V41-L43 PolarHBondContact O-N 3.3Å; V41-T44 PolarHBondContact O-N 3.46Å; V41-T44 VanDerWaalsContact O-N 3.17Å; V41-K45 PolarHBondContact O-N 3.48Å; V41-L76 HydrophobicContact CG1-CD2 4.03Å; V41-L76 HydrophobicContact CG1-CG 4Å; V41-L77 HydrophobicContact CG1-CD2 4.21Å; V41-L77 HydrophobicContact CG2-CD2 4.04Å
42L94.7Very high92.5Very high23 Ų2373.1 Ų73.112%0.1238%0.378CS..Hα-helixtrans-60.5-42.4-178.6-62.8176.6000112.2L38 Y39 G46 I47 I50 L61 L76L38-L42 HydrophobicContact CD1-CD1 4.22Å; L38-L42 HydrophobicContact CD1-CD2 4.39Å; L38-L42 HydrophobicContact CD1-CG 4.09Å; L38-L42 HydrophobicContact CG-CD1 4.05Å; L38-L42 HydrophobicContact CG-CG 4.33Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 3.41Å; Y39-L42 HydrophobicContact CD1-CD1 4.41Å; Y39-L42 PolarHBondContact O-N 2.87Å; L42-G46 WeakPolarHBondContact O-CA 3.27Å; L42-G46 PolarHBondContact O-N 3.1Å; L42-I47 HydrophobicContact CB-CD1 4.14Å; L42-I50 HydrophobicContact CB-CD1 4.29Å; L42-I50 HydrophobicContact CD2-CD1 3.59Å; L42-L61 HydrophobicContact CD2-CD1 3.58Å; L42-L76 HydrophobicContact CD2-CD2 3.92Å
43L93.4Very high92.6Very high104 Ų10468.3 Ų68.355%0.54536%0.357SS..Hα-helixtrans-72.4-30.7178.3-68.4173.5000112.8A6 Y39 V41A6-L43 HydrophobicContact CB-CD1 3.79Å; Y39-L43 VanDerWaalsContact O-CB 3.27Å; Y39-L43 WeakPolarHBondContact O-CB 3.39Å; Y39-L43 WeakPolarHBondContact O-CG 3.37Å; Y39-L43 PolarHBondContact O-N 2.95Å; V41-L43 VanDerWaalsContact C-N 3.34Å; V41-L43 PolarHBondContact O-N 3.3Å
44T92.6Very high92.6Very high124 Ų12469.2 Ų69.276%0.76136%0.362SS*.Hα-helixtrans-70.8-43.8176.6-61.70000111.1S40 V41S40-T44 VanDerWaalsContact O-CB 3.24Å; S40-T44 WeakPolarHBondContact O-CB 3.01Å; S40-T44 PolarHBondContact O-N 2.94Å; S40-T44 PolarHBondContact O-OG1 2.96Å; V41-T44 PolarHBondContact O-N 3.46Å; V41-T44 VanDerWaalsContact O-N 3.17Å
45K94.7Very high92.2Very high46 Ų4667.3 Ų67.320%0.235%0.345CS..Hα-helixtrans-69.5-39.7175.2-179.966.9175.6-168.70112.2V41 N49 I50 E53 L76 G80V41-K45 PolarHBondContact O-N 3.48Å; K45-N49 HydrophobicContact CG-CB 4.49Å; K45-N49 PolarHBondContact O-ND2 3.38Å; K45-I50 HydrophobicContact CB-CD1 4.1Å; K45-I50 HydrophobicContact CB-CG1 4.16Å; K45-I50 HydrophobicContact CG-CD1 4.03Å; K45-I50 HydrophobicContact CG-CG1 3.52Å; K45-E53 VanDerWaalsContact CE-CD 3.49Å; K45-E53 WeakPolarHBondContact CE-OE1 3.37Å; K45-E53 WeakPolarHBondContact CE-OE2 3.5Å; K45-E53 VanDerWaalsContact NZ-CD 3.28Å; K45-E53 IonicContact NZ-OE1 2.69Å; K45-E53 PolarHBondContact NZ-OE1 2.9Å; K45-E53 IonicContact NZ-OE2 3.09Å; K45-E53 PolarHBondContact NZ-OE2 2.98Å; K45-E53 VanDerWaalsContact NZ-OE2 3.09Å; K45-L76 HydrophobicContact CB-CD1 4.2Å; K45-L76 HydrophobicContact CD-CD1 4.17Å; K45-L76 HydrophobicContact CG-CD1 3.89Å; K45-G80 WeakPolarHBondContact CD-O 3.36Å; K45-G80 VanDerWaalsContact CE-O 3.27Å; K45-G80 WeakPolarHBondContact CE-O 3.37Å; K45-G80 PolarHBondContact NZ-O 2.78Å
46G94.4Very high91.9Very high22 Ų2267.3 Ų67.323%0.22735%0.345CS..  trans93.2131.5-17500000112.2L42 E48 N49 I50L42-G46 WeakPolarHBondContact O-CA 3.27Å; L42-G46 PolarHBondContact O-N 3.1Å; G46-E48 PolarHBondContact O-N 3.08Å; G46-N49 PolarHBondContact O-N 3.39Å; G46-I50 WeakPolarHBondContact O-CG1 3.42Å; G46-I50 PolarHBondContact O-N 3.2Å; G46-I50 VanDerWaalsContact O-N 3.08Å
47I92.5Very high91.3Very high78 Ų7867.2 Ų67.240%0.436%0.356SS..Hα-helixtrans-61.1-42.8-173.8-57.4-56.6000112.4L42 N49 I50 K51L42-I47 HydrophobicContact CB-CD1 4.14Å; I47-N49 VanDerWaalsContact C-N 3.34Å; I47-N49 PolarHBondContact O-N 3.49Å; I47-I50 PolarHBondContact O-N 3.46Å; I47-K51 HydrophobicContact CG2-CD 4.39Å; I47-K51 WeakPolarHBondContact O-CG 3.45Å; I47-K51 PolarHBondContact O-N 2.72Å
48E93.3Very high91.1Very high108 Ų10868.1 Ų68.151%0.50537%0.372SS..Hα-helixtrans-68.1-35.1179.8-60-52.9127.300111.9G46 I50 K51 N52G46-E48 PolarHBondContact O-N 3.08Å; E48-I50 VanDerWaalsContact C-N 3.33Å; E48-I50 PolarHBondContact O-N 3.24Å; E48-K51 PolarHBondContact O-N 2.7Å; E48-K51 IonicContact OE1-NZ 2.6Å; E48-K51 PolarHBondContact OE1-NZ 2.85Å; E48-K51 IonicContact OE2-NZ 3.79Å; E48-N52 WeakPolarHBondContact O-CB 3.18Å; E48-N52 PolarHBondContact O-N 3.17Å; E48-N52 PolarHBondContact O-ND2 3.21Å
49N94.7Very high90.7Very high89 Ų8972.4 Ų72.448%0.47639%0.391SS..Hα-helixtrans-64.8-40.3174.1-65.8-23.4000111.3K45 G46 I47 N52 E53K45-N49 HydrophobicContact CG-CB 4.49Å; K45-N49 PolarHBondContact O-ND2 3.38Å; G46-N49 PolarHBondContact O-N 3.39Å; I47-N49 VanDerWaalsContact C-N 3.34Å; I47-N49 PolarHBondContact O-N 3.49Å; N49-N52 PolarHBondContact O-N 2.82Å; N49-E53 WeakPolarHBondContact O-CG 3.35Å; N49-E53 PolarHBondContact O-N 2.88Å
50I94.9Very high90.7Very high7 Ų769.2 Ų69.24%0.03639%0.387CS..Hα-helixtrans-62.9-48.1176-68.6162.8000110.5L42 K45 G46 I47 E48 N52 E53 I54 L61 L76 A82L42-I50 HydrophobicContact CB-CD1 4.29Å; L42-I50 HydrophobicContact CD2-CD1 3.59Å; K45-I50 HydrophobicContact CB-CD1 4.1Å; K45-I50 HydrophobicContact CB-CG1 4.16Å; K45-I50 HydrophobicContact CG-CD1 4.03Å; K45-I50 HydrophobicContact CG-CG1 3.52Å; G46-I50 WeakPolarHBondContact O-CG1 3.42Å; G46-I50 PolarHBondContact O-N 3.2Å; G46-I50 VanDerWaalsContact O-N 3.08Å; I47-I50 PolarHBondContact O-N 3.46Å; E48-I50 VanDerWaalsContact C-N 3.33Å; E48-I50 PolarHBondContact O-N 3.24Å; I50-N52 PolarHBondContact O-N 3.14Å; I50-E53 PolarHBondContact O-N 2.9Å; I50-I54 HydrophobicContact CG2-CD1 3.6Å; I50-I54 HydrophobicContact CG2-CG1 4.29Å; I50-I54 WeakPolarHBondContact O-CG1 3.31Å; I50-I54 PolarHBondContact O-N 3.27Å; I50-I54 VanDerWaalsContact O-N 3.07Å; I50-L61 HydrophobicContact CG2-CD1 4.24Å; I50-L76 HydrophobicContact CD1-CD2 4.06Å; I50-L76 HydrophobicContact CG1-CD2 4.31Å; I50-A82 HydrophobicContact CB-CB 4.48Å; I50-A82 HydrophobicContact CG1-CB 4.44Å; I50-A82 HydrophobicContact CG2-CB 3.96Å
51K92.1Very high90.8Very high100 Ų10068.8 Ų68.844%0.43538%0.381SS..Hα-helixtrans-59.9-34.7178.2-72.2174.1-178.31670112.9I47 E48 E53I47-K51 HydrophobicContact CG2-CD 4.39Å; I47-K51 WeakPolarHBondContact O-CG 3.45Å; I47-K51 PolarHBondContact O-N 2.72Å; E48-K51 PolarHBondContact O-N 2.7Å; E48-K51 IonicContact OE1-NZ 2.6Å; E48-K51 PolarHBondContact OE1-NZ 2.85Å; E48-K51 IonicContact OE2-NZ 3.79Å; K51-E53 VanDerWaalsContact C-N 3.29Å
52N91.9Very high90.8Very high121 Ų12170.6 Ų70.665%0.64739%0.389SS*.Hα-helixtrans-73.7-19.8177.5-68.4-22.3000113.3E48 N49 I50E48-N52 WeakPolarHBondContact O-CB 3.18Å; E48-N52 PolarHBondContact O-N 3.17Å; E48-N52 PolarHBondContact O-ND2 3.21Å; N49-N52 PolarHBondContact O-N 2.82Å; I50-N52 PolarHBondContact O-N 3.14Å
53E93.1Very high90.6Very high31 Ų3172.2 Ų72.215%0.14540%0.398CS..Hα-helixtrans-93.8-23.2178.5-72.4178.6164.400112.9K45 N49 I50 K51 H81 A82K45-E53 VanDerWaalsContact CE-CD 3.49Å; K45-E53 WeakPolarHBondContact CE-OE1 3.37Å; K45-E53 WeakPolarHBondContact CE-OE2 3.5Å; K45-E53 VanDerWaalsContact NZ-CD 3.28Å; K45-E53 IonicContact NZ-OE1 2.69Å; K45-E53 PolarHBondContact NZ-OE1 2.9Å; K45-E53 IonicContact NZ-OE2 3.09Å; K45-E53 PolarHBondContact NZ-OE2 2.98Å; K45-E53 VanDerWaalsContact NZ-OE2 3.09Å; N49-E53 WeakPolarHBondContact O-CG 3.35Å; N49-E53 PolarHBondContact O-N 2.88Å; I50-E53 PolarHBondContact O-N 2.9Å; K51-E53 VanDerWaalsContact C-N 3.29Å; E53-H81 IonicContact OE1-CE1 3.95Å; E53-H81 IonicContact OE1-CG 4Å; E53-H81 IonicContact OE1-ND1 3.05Å; E53-H81 PolarHBondContact OE1-ND1 2.97Å; E53-H81 WeakPolarHBondContact OE2-CA 3.14Å; E53-A82 HydrophobicContact CB-CB 4.23Å; E53-A82 PolarHBondContact OE2-N 3.41Å
54I90.6Very high90.4Very high21 Ų2172.6 Ų72.611%0.10841%0.407CS..  trans-81.5128.5176.1-64.3170.1000109.1I50 D56 L61 A82I50-I54 HydrophobicContact CG2-CD1 3.6Å; I50-I54 HydrophobicContact CG2-CG1 4.29Å; I50-I54 WeakPolarHBondContact O-CG1 3.31Å; I50-I54 PolarHBondContact O-N 3.27Å; I50-I54 VanDerWaalsContact O-N 3.07Å; I54-D56 WeakPolarHBondContact CG2-O 3.48Å; I54-L61 HydrophobicContact CD1-CD2 3.79Å; I54-L61 HydrophobicContact CD1-CG 4.38Å; I54-A82 HydrophobicContact CG1-CB 4.3Å; I54-A82 WeakPolarHBondContact CG1-O 3.03Å
55E81.9Confident90.4Very high75 Ų7571.8 Ų71.835%0.3540%0.402SS..SBendtrans-67.8-42-179.2-64.4-178.8168.200112.6N85 L98 L99E55-N85 PolarHBondContact OE1-ND2 3.28Å; E55-L98 VanDerWaalsContact OE1-CA 3.25Å; E55-L98 WeakPolarHBondContact OE1-CA 3.46Å; E55-L98 WeakPolarHBondContact OE1-CB 3.24Å; E55-L99 PolarHBondContact OE1-N 3.41Å
56D83.7Confident90.1Very high77 Ų7777.8 Ų77.841%0.41242%0.424SS..  trans-115.9100.6174.5-173.8-8.6000110.9I54 S58 E59I54-D56 WeakPolarHBondContact CG2-O 3.48Å; D56-S58 PolarHBondContact O-N 2.81Å; D56-S58 WeakPolarHBondContact OD1-CA 3.21Å; D56-S58 WeakPolarHBondContact OD1-CB 3.34Å; D56-S58 PolarHBondContact OD1-N 3.4Å; D56-S58 PolarHBondContact OD1-OG 2.98Å; D56-S58 PolarHBondContact OD2-OG 3.15Å; D56-S58 VanDerWaalsContact OD2-OG 3.11Å; D56-E59 HydrophobicContact CB-CG 4.14Å; D56-E59 PolarHBondContact O-N 3.25Å
57A79.9Confident89.8Confident78 Ų7879.1 Ų79.165%0.64544%0.437SS*.THydrogen-bonded Turntrans-66.4-7.1179.700000114.1
58S84.6Confident89.7Confident95 Ų9579 Ų7966%0.66444%0.435SS*.THydrogen-bonded Turntrans-80.8-20.5171.478.90000112.7D56D56-S58 PolarHBondContact O-N 2.81Å; D56-S58 WeakPolarHBondContact OD1-CA 3.21Å; D56-S58 WeakPolarHBondContact OD1-CB 3.34Å; D56-S58 PolarHBondContact OD1-N 3.4Å; D56-S58 PolarHBondContact OD1-OG 2.98Å; D56-S58 PolarHBondContact OD2-OG 3.15Å; D56-S58 VanDerWaalsContact OD2-OG 3.11Å
59E84.6Confident89.6Confident113 Ų11375.4 Ų75.453%0.52843%0.427SS..SBendtrans-74.6124.1176.6-70.5-160.1154.800111.4D56D56-E59 HydrophobicContact CB-CG 4.14Å; D56-E59 PolarHBondContact O-N 3.25Å
60P91.4Very high89.6Confident70 Ų7072.5 Ų72.546%0.45541%0.414SS..  trans-76145.6179.532.2-34.5000111.2I62P60-I62 WeakPolarHBondContact CB-O 3.44Å; P60-I62 PolarHBondContact O-N 2.92Å
61L93.3Very high89.6Confident34 Ų3474.7 Ų74.718%0.17842%0.424CS..SBendtrans-65-24.4173.1-72.2-179.9000113.4L42 I50 I54 S70 L73L42-L61 HydrophobicContact CD2-CD1 3.58Å; I50-L61 HydrophobicContact CG2-CD1 4.24Å; I54-L61 HydrophobicContact CD1-CD2 3.79Å; I54-L61 HydrophobicContact CD1-CG 4.38Å; L61-S70 PolarHBondContact O-N 3.37Å; L61-S70 PolarHBondContact O-OG 3.09Å; L61-L73 HydrophobicContact CB-CB 4.31Å; L61-L73 HydrophobicContact CD2-CB 4.15Å; L61-L73 WeakPolarHBondContact O-CD2 3.47Å
62I93.6Very high89.7Confident67 Ų6770.1 Ų70.134%0.34440%0.404SS..BIsolated β-bridgetrans-129125.1175.8-61.1177.6000107.1L38 P60 H68 L73L38-I62 HydrophobicContact CD2-CD1 3.52Å; P60-I62 WeakPolarHBondContact CB-O 3.44Å; P60-I62 PolarHBondContact O-N 2.92Å; I62-H68 CarbonylContact C-O 3.54Å; I62-H68 WeakPolarHBondContact CA-O 3.32Å; I62-L73 HydrophobicContact CG1-CD2 3.92Å
63D90.9Very high89.9Confident57 Ų5765 Ų6531%0.30538%0.377SS..  trans-57.2125175.6-177.1-84.1000110.3V65 Y66 G67 H68D63-V65 PolarHBondContact O-N 2.71Å; D63-V65 WeakPolarHBondContact OD1-CA 3.2Å; D63-V65 WeakPolarHBondContact OD1-CB 3.24Å; D63-V65 PolarHBondContact OD1-N 3.39Å; D63-Y66 WeakPolarHBondContact OD1-CD2 3.47Å; D63-Y66 PolarHBondContact OD1-N 3.19Å; D63-G67 WeakPolarHBondContact O-CA 3.16Å; D63-G67 PolarHBondContact O-N 3.38Å; D63-H68 HydrophobicContact CB-CB 4.26Å; D63-H68 PolarHBondContact N-O 3.05Å
64P90.3Very high90.1Very high111 Ų11164.3 Ų64.372%0.72137%0.374SS*.THydrogen-bonded Turntrans-73.3-15.2-173.428.5-34.8000113.6
65V91.1Very high90.4Very high108 Ų10863.3 Ų63.366%0.65537%0.369SS*.THydrogen-bonded Turntrans-97.6-49.1-176.3-178.30000110.7D63D63-V65 PolarHBondContact O-N 2.71Å; D63-V65 WeakPolarHBondContact OD1-CA 3.2Å; D63-V65 WeakPolarHBondContact OD1-CB 3.24Å; D63-V65 PolarHBondContact OD1-N 3.39Å
66Y89.3Confident91.1Very high172 Ų17260 Ų6068%0.67535%0.354SS*.THydrogen-bonded Turntrans-108.4-12.7-171.4-54.8-70.1000113.4D63 H68D63-Y66 WeakPolarHBondContact OD1-CD2 3.47Å; D63-Y66 PolarHBondContact OD1-N 3.19Å; Y66-H68 VanDerWaalsContact C-N 3.29Å; Y66-H68 WeakPolarHBondContact CB-CD2 3.38Å; Y66-H68 WeakPolarHBondContact CB-NE2 3.2Å; Y66-H68 PolarHBondContact O-N 3.48Å
67G88.2Confident91.7Very high49 Ų4960.7 Ų60.751%0.50536%0.357SS..  trans75.114.7177.200000114.6D63D63-G67 WeakPolarHBondContact O-CA 3.16Å; D63-G67 PolarHBondContact O-N 3.38Å
68H90.2Very high92.4Very high76 Ų7658.5 Ų58.535%0.35233%0.334SS..PPolyproline II helixtrans-71.2137.4177.2-60.7-52.5000111.1I62 D63 Y66 T139I62-H68 CarbonylContact C-O 3.54Å; I62-H68 WeakPolarHBondContact CA-O 3.32Å; D63-H68 HydrophobicContact CB-CB 4.26Å; D63-H68 PolarHBondContact N-O 3.05Å; Y66-H68 VanDerWaalsContact C-N 3.29Å; Y66-H68 WeakPolarHBondContact CB-CD2 3.38Å; Y66-H68 WeakPolarHBondContact CB-NE2 3.2Å; Y66-H68 PolarHBondContact O-N 3.48Å; H68-T139 PolarHBondContact CE1-O 3.07Å
69G91.8Very high93Very high33 Ų3354.7 Ų54.734%0.3431%0.307SS..BIsolated β-bridgetrans-72134.6170.800000110.7
70S93.8Very high93.5Very high27 Ų2751 Ų5119%0.18930%0.299CS..PPolyproline II helixtrans-68.516417574.80000111.7L61 S72 L73 I74L61-S70 PolarHBondContact O-N 3.37Å; L61-S70 PolarHBondContact O-OG 3.09Å; S70-S72 PolarHBondContact O-N 2.94Å; S70-S72 PolarHBondContact OG-N 3.04Å; S70-L73 WeakPolarHBondContact O-CB 3.44Å; S70-L73 PolarHBondContact O-N 2.8Å; S70-L73 PolarHBondContact OG-N 3.28Å; S70-I74 WeakPolarHBondContact O-CG1 3.39Å; S70-I74 PolarHBondContact O-N 3.37Å
71Q94.7Very high93.7Very high53 Ų5350.7 Ų50.725%0.24829%0.291CS..Hα-helixtrans-59.5-35.6175.1-170.361.154.800111.9L73 I74 N75 S84 V86Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 2.97Å; Q71-I74 PolarHBondContact O-N 3.07Å; Q71-N75 PolarHBondContact NE2-OD1 3.37Å; Q71-N75 WeakPolarHBondContact O-CB 3.3Å; Q71-N75 PolarHBondContact O-N 3.29Å; Q71-S84 WeakPolarHBondContact CG-O 3.23Å; Q71-V86 HydrophobicContact CG-CG1 3.83Å
72S95.9Very high93.8Very high4 Ų449.1 Ų49.13%0.02828%0.283CS..Hα-helixtrans-60.7-40.1173.5-56.10000112.5S70 L76 A82 V83 S84S70-S72 PolarHBondContact O-N 2.94Å; S70-S72 PolarHBondContact OG-N 3.04Å; S72-L76 VanDerWaalsContact O-CB 3.3Å; S72-L76 WeakPolarHBondContact O-CB 3.47Å; S72-L76 PolarHBondContact O-N 3.01Å; S72-A82 VanDerWaalsContact CB-O 3.23Å; S72-A82 WeakPolarHBondContact CB-O 3.44Å; S72-A82 PolarHBondContact OG-O 3.03Å; S72-V83 WeakPolarHBondContact CA-O 3.22Å; S72-S84 WeakPolarHBondContact OG-CA 3.44Å
73L95.8Very high93.9Very high13 Ų1346.1 Ų46.17%0.06827%0.268CS..Hα-helixtrans-67.4-41.9175.3179.456.4000111.5L38 L61 I62 S70 Q71 L76 L77L38-L73 HydrophobicContact CD1-CD1 3.52Å; L38-L73 HydrophobicContact CD1-CD2 4.34Å; L61-L73 HydrophobicContact CB-CB 4.31Å; L61-L73 HydrophobicContact CD2-CB 4.15Å; L61-L73 WeakPolarHBondContact O-CD2 3.47Å; I62-L73 HydrophobicContact CG1-CD2 3.92Å; S70-L73 WeakPolarHBondContact O-CB 3.44Å; S70-L73 PolarHBondContact O-N 2.8Å; S70-L73 PolarHBondContact OG-N 3.28Å; Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 2.97Å; L73-L76 PolarHBondContact O-N 3.23Å; L73-L77 HydrophobicContact CD1-CD1 4.4Å; L73-L77 HydrophobicContact CD1-CG 4.44Å; L73-L77 HydrophobicContact CG-CD1 4.38Å; L73-L77 WeakPolarHBondContact O-CG 3.43Å; L73-L77 PolarHBondContact O-N 3.31Å; L73-L77 VanDerWaalsContact O-N 3.09Å
74I95.9Very high94.1Very high18 Ų1844.7 Ų44.79%0.09226%0.262CS..Hα-helixtrans-60.8-49.8176.8-65.3167.5000110S70 Q71 L76 L77 L78 F109 L141S70-I74 WeakPolarHBondContact O-CG1 3.39Å; S70-I74 PolarHBondContact O-N 3.37Å; Q71-I74 PolarHBondContact O-N 3.07Å; I74-L76 VanDerWaalsContact C-N 3.32Å; I74-L76 PolarHBondContact O-N 3.05Å; I74-L77 PolarHBondContact O-N 2.83Å; I74-L77 VanDerWaalsContact O-N 3.15Å; I74-L78 HydrophobicContact CG2-CD1 3.76Å; I74-L78 HydrophobicContact CG2-CG 4.34Å; I74-L78 WeakPolarHBondContact O-CG 3.22Å; I74-L78 PolarHBondContact O-N 3Å; I74-F109 HydrophobicContact CD1-CE2 4.37Å; I74-F109 HydrophobicContact CG2-CD2 3.93Å; I74-F109 HydrophobicContact CG2-CE2 3.98Å; I74-L141 HydrophobicContact CD1-CD1 3.91Å; I74-L141 HydrophobicContact CD1-CD2 3.98Å; I74-L141 HydrophobicContact CG1-CD1 4.19Å
75N97Very high94.3Very high0 Ų040.4 Ų40.40%023%0.233CC..Hα-helixtrans-63.1-37.9179.1-74.4-10000112Q71 L77 L78 T79 H81 V83 N85 I101Q71-N75 PolarHBondContact NE2-OD1 3.37Å; Q71-N75 WeakPolarHBondContact O-CB 3.3Å; Q71-N75 PolarHBondContact O-N 3.29Å; N75-L77 VanDerWaalsContact C-N 3.3Å; N75-L77 PolarHBondContact O-N 3.29Å; N75-L78 PolarHBondContact O-N 3.33Å; N75-T79 WeakPolarHBondContact O-CB 3.4Å; N75-T79 PolarHBondContact O-N 2.81Å; N75-T79 PolarHBondContact O-OG1 3.27Å; N75-H81 CarbonylContact C-O 3.59Å; N75-H81 WeakPolarHBondContact CB-O 3.35Å; N75-V83 WeakPolarHBondContact CB-O 3.46Å; N75-V83 PolarHBondContact ND2-O 3.48Å; N75-N85 PolarHBondContact ND2-O 3.19Å; N75-I101 HydrophobicContact CB-CD1 4.46Å
76L97.3Very high94.6Very high6 Ų635.8 Ų35.83%0.03121%0.205CC..Hα-helixtrans-59.8-41.9174.6176.861.3000111.5V41 L42 K45 I50 S72 L73 I74 G80 H81 A82V41-L76 HydrophobicContact CG1-CD2 4.03Å; V41-L76 HydrophobicContact CG1-CG 4Å; L42-L76 HydrophobicContact CD2-CD2 3.92Å; K45-L76 HydrophobicContact CB-CD1 4.2Å; K45-L76 HydrophobicContact CD-CD1 4.17Å; K45-L76 HydrophobicContact CG-CD1 3.89Å; I50-L76 HydrophobicContact CD1-CD2 4.06Å; I50-L76 HydrophobicContact CG1-CD2 4.31Å; S72-L76 VanDerWaalsContact O-CB 3.3Å; S72-L76 WeakPolarHBondContact O-CB 3.47Å; S72-L76 PolarHBondContact O-N 3.01Å; L73-L76 PolarHBondContact O-N 3.23Å; I74-L76 VanDerWaalsContact C-N 3.32Å; I74-L76 PolarHBondContact O-N 3.05Å; L76-G80 WeakPolarHBondContact O-CA 3.44Å; L76-G80 PolarHBondContact O-N 3.27Å; L76-H81 WeakPolarHBondContact CA-O 3.38Å; L76-H81 PolarHBondContact N-O 2.82Å; L76-A82 HydrophobicContact CB-CB 4.15Å; L76-A82 HydrophobicContact CD1-CB 4.42Å
77L95.9Very high95Very high90 Ų9029.3 Ų29.347%0.47118%0.18SC..Hα-helixtrans-71.1-34.3178.2-69.9169.8000112.8F37 V41 L73 I74 N75F37-L77 HydrophobicContact CE1-CD2 4Å; V41-L77 HydrophobicContact CG1-CD2 4.21Å; V41-L77 HydrophobicContact CG2-CD2 4.04Å; L73-L77 HydrophobicContact CD1-CD1 4.4Å; L73-L77 HydrophobicContact CD1-CG 4.44Å; L73-L77 HydrophobicContact CG-CD1 4.38Å; L73-L77 WeakPolarHBondContact O-CG 3.43Å; L73-L77 PolarHBondContact O-N 3.31Å; L73-L77 VanDerWaalsContact O-N 3.09Å; I74-L77 PolarHBondContact O-N 2.83Å; I74-L77 VanDerWaalsContact O-N 3.15Å; N75-L77 VanDerWaalsContact C-N 3.3Å; N75-L77 PolarHBondContact O-N 3.29Å
78L96.1Very high95.3Very high32 Ų3229 Ų2917%0.16817%0.166CC..Hα-helixtrans-82.5-35.8-177.7-68.6177.2000113.6I74 N75 V107 F109 I134I74-L78 HydrophobicContact CG2-CD1 3.76Å; I74-L78 HydrophobicContact CG2-CG 4.34Å; I74-L78 WeakPolarHBondContact O-CG 3.22Å; I74-L78 PolarHBondContact O-N 3Å; N75-L78 PolarHBondContact O-N 3.33Å; L78-V107 HydrophobicContact CD2-CB 3.97Å; L78-V107 HydrophobicContact CD2-CG1 3.85Å; L78-F109 HydrophobicContact CD1-CB 3.8Å; L78-F109 HydrophobicContact CD1-CD2 4.35Å; L78-F109 HydrophobicContact CD1-CG 4.42Å; L78-I134 HydrophobicContact CD2-CG1 4.07Å
79T95.8Very high95.6Very high16 Ų1626.5 Ų26.510%0.09816%0.161CC..Hα-helixtrans-128-10.2-166.571.10000113.6N75 H81 I101 A105 L125N75-T79 WeakPolarHBondContact O-CB 3.4Å; N75-T79 PolarHBondContact O-N 2.81Å; N75-T79 PolarHBondContact O-OG1 3.27Å; T79-H81 PolarHBondContact O-CD2 2.86Å; T79-H81 PolarHBondContact O-N 2.86Å; T79-H81 PolarHBondContact OG1-N 2.85Å; T79-H81 PolarHBondContact OG1-O 3.34Å; T79-I101 HydrophobicContact CG2-CD1 4.35Å; T79-I101 HydrophobicContact CG2-CG2 4.39Å; T79-A105 HydrophobicContact CG2-CB 4.08Å; T79-L125 HydrophobicContact CG2-CD2 4.09Å
80G95.5Very high95.7Very high34 Ų3427.6 Ų27.635%0.35116%0.159SC..SBendtrans75.24.5-171.200000114.3K45 L76K45-G80 WeakPolarHBondContact CD-O 3.36Å; K45-G80 VanDerWaalsContact CE-O 3.27Å; K45-G80 WeakPolarHBondContact CE-O 3.37Å; K45-G80 PolarHBondContact NZ-O 2.78Å; L76-G80 WeakPolarHBondContact O-CA 3.44Å; L76-G80 PolarHBondContact O-N 3.27Å
81H95.7Very high95.7Very high65 Ų6531.7 Ų31.730%0.30117%0.171SC..  trans-118.5130.1177-66.9-81.3000111.7E53 N75 L76 T79 V83E53-H81 IonicContact OE1-CE1 3.95Å; E53-H81 IonicContact OE1-CG 4Å; E53-H81 IonicContact OE1-ND1 3.05Å; E53-H81 PolarHBondContact OE1-ND1 2.97Å; E53-H81 WeakPolarHBondContact OE2-CA 3.14Å; N75-H81 CarbonylContact C-O 3.59Å; N75-H81 WeakPolarHBondContact CB-O 3.35Å; L76-H81 WeakPolarHBondContact CA-O 3.38Å; L76-H81 PolarHBondContact N-O 2.82Å; T79-H81 PolarHBondContact O-CD2 2.86Å; T79-H81 PolarHBondContact O-N 2.86Å; T79-H81 PolarHBondContact OG1-N 2.85Å; T79-H81 PolarHBondContact OG1-O 3.34Å; H81-V83 VanDerWaalsContact C-N 3.28Å; H81-V83 PolarHBondContact O-N 2.91Å
82A96.2Very high95.7Very high0 Ų036.9 Ų36.90%020%0.195CC..  trans-90.831.2-174.300000113.9I50 E53 I54 S72 L76I50-A82 HydrophobicContact CB-CB 4.48Å; I50-A82 HydrophobicContact CG1-CB 4.44Å; I50-A82 HydrophobicContact CG2-CB 3.96Å; E53-A82 HydrophobicContact CB-CB 4.23Å; E53-A82 PolarHBondContact OE2-N 3.41Å; I54-A82 HydrophobicContact CG1-CB 4.3Å; I54-A82 WeakPolarHBondContact CG1-O 3.03Å; S72-A82 VanDerWaalsContact CB-O 3.23Å; S72-A82 WeakPolarHBondContact CB-O 3.44Å; S72-A82 PolarHBondContact OG-O 3.03Å; L76-A82 HydrophobicContact CB-CB 4.15Å; L76-A82 HydrophobicContact CD1-CB 4.42Å
83V95.6Very high95.3Very high4 Ų440 Ų402%0.02422%0.216CC..  trans-70.8145.7175-59.50000110.3S72 N75 H81 L99 I101S72-V83 WeakPolarHBondContact CA-O 3.22Å; N75-V83 WeakPolarHBondContact CB-O 3.46Å; N75-V83 PolarHBondContact ND2-O 3.48Å; H81-V83 VanDerWaalsContact C-N 3.28Å; H81-V83 PolarHBondContact O-N 2.91Å; V83-L99 HydrophobicContact CB-CB 4.36Å; V83-L99 HydrophobicContact CG1-CB 3.61Å; V83-L99 HydrophobicContact CG1-CD1 4.39Å; V83-I101 HydrophobicContact CG2-CD1 3.67Å
84S94.1Very high94.9Very high28 Ų2845.6 Ų45.620%0.19626%0.256CS..SBendtrans-79.1-23.4178.150.30000112.8Q71 S72Q71-S84 WeakPolarHBondContact CG-O 3.23Å; S72-S84 WeakPolarHBondContact OG-CA 3.44Å
85N95.6Very high94.6Very high21 Ų2147.9 Ų47.911%0.11228%0.284CS..  trans-87.2151.3-171.1-57.9-50.8000112.8E55 N75 W87 L99E55-N85 PolarHBondContact OE1-ND2 3.28Å; N75-N85 PolarHBondContact ND2-O 3.19Å; N85-W87 HydrophobicContact CB-CD2 3.76Å; N85-W87 HydrophobicContact CB-CE3 3.77Å; N85-W87 HydrophobicContact CB-CH2 3.51Å; N85-W87 HydrophobicContact CB-CZ2 3.45Å; N85-W87 VanDerWaalsContact CB-CZ2 3.45Å; N85-W87 HydrophobicContact CB-CZ3 3.64Å; N85-W87 VanDerWaalsContact ND2-CZ2 3.33Å; N85-W87 WeakPolarHBondContact ND2-CZ2 3.31Å; N85-W87 WeakPolarHBondContact OD1-CH2 3.42Å; N85-W87 VanDerWaalsContact OD1-CZ3 3.3Å; N85-W87 WeakPolarHBondContact OD1-CZ3 3.21Å; N85-L99 WeakPolarHBondContact CB-O 3.41Å; N85-L99 PolarHBondContact ND2-O 3.01Å
86V96.8Very high94.1Very high11 Ų1152.8 Ų52.87%0.06731%0.308CS..  trans-111.88.7-174.4-64.20000113.5Q71 F109 V121 G122 L125Q71-V86 HydrophobicContact CG-CG1 3.83Å; V86-F109 HydrophobicContact CG1-CD1 4.08Å; V86-F109 HydrophobicContact CG1-CE1 4.08Å; V86-V121 HydrophobicContact CB-CG1 4.39Å; V86-V121 HydrophobicContact CB-CG2 4.42Å; V86-V121 HydrophobicContact CG2-CB 4.5Å; V86-V121 HydrophobicContact CG2-CG2 4.01Å; V86-V121 CarbonylContact O-C 3.59Å; V86-V121 WeakPolarHBondContact O-CA 3.13Å; V86-G122 PolarHBondContact O-N 3.18Å; V86-L125 HydrophobicContact CB-CD1 4Å; V86-L125 HydrophobicContact CG1-CD1 4.28Å
87W96.3Very high93.8Very high36 Ų3658.8 Ų58.814%0.13633%0.334CS..SBendtrans-96.6163.8177.458.975.1000112.6N85 G89 R91 L98 I101N85-W87 HydrophobicContact CB-CD2 3.76Å; N85-W87 HydrophobicContact CB-CE3 3.77Å; N85-W87 HydrophobicContact CB-CH2 3.51Å; N85-W87 HydrophobicContact CB-CZ2 3.45Å; N85-W87 VanDerWaalsContact CB-CZ2 3.45Å; N85-W87 HydrophobicContact CB-CZ3 3.64Å; N85-W87 VanDerWaalsContact ND2-CZ2 3.33Å; N85-W87 WeakPolarHBondContact ND2-CZ2 3.31Å; N85-W87 WeakPolarHBondContact OD1-CH2 3.42Å; N85-W87 VanDerWaalsContact OD1-CZ3 3.3Å; N85-W87 WeakPolarHBondContact OD1-CZ3 3.21Å; W87-G89 PolarHBondContact NE1-O 2.97Å; W87-R91 VanDerWaalsContact CD1-NE 3.3Å; W87-L98 HydrophobicContact CH2-CD1 4.32Å; W87-L98 HydrophobicContact CZ2-CB 3.92Å; W87-L98 HydrophobicContact CZ2-CD1 4.15Å; W87-I101 PolarHBondContact O-N 3.35Å
88D95.9Very high93.6Very high41 Ų4155.9 Ų55.922%0.21932%0.319CS..BIsolated β-bridgetrans-77135.3177.1-44.7-46.4000111I101 G122 S123 Y124 R163D88-I101 CarbonylContact C-O 3.58Å; D88-I101 WeakPolarHBondContact CA-O 3.34Å; D88-G122 VanDerWaalsContact CG-CA 3.41Å; D88-G122 WeakPolarHBondContact OD1-CA 3.48Å; D88-G122 WeakPolarHBondContact OD2-CA 3.23Å; D88-S123 VanDerWaalsContact CG-N 3.29Å; D88-S123 PolarHBondContact OD1-N 3.23Å; D88-S123 PolarHBondContact OD2-N 3.42Å; D88-S123 PolarHBondContact OD2-OG 3.05Å; D88-Y124 HydrophobicContact CB-CD2 3.81Å; D88-Y124 HydrophobicContact CB-CE2 3.88Å; D88-Y124 HydrophobicContact CB-CG 4.34Å; D88-Y124 WeakPolarHBondContact OD1-CB 3.4Å; D88-Y124 WeakPolarHBondContact OD1-CD2 3.41Å; D88-Y124 VanDerWaalsContact OD1-CG 3.23Å; D88-Y124 PolarHBondContact OD1-N 2.76Å; D88-R163 IonicContact OD2-NH1 2.69Å
89G95.4Very high93.5Very high24 Ų2456.5 Ų56.525%0.24732%0.322CS..SBendtrans67.7167.2174.600000114.8W87 G100 I101W87-G89 PolarHBondContact NE1-O 2.97Å; G89-G100 WeakPolarHBondContact O-CA 3.42Å; G89-I101 PolarHBondContact N-O 3.19Å
90D95.4Very high93.6Very high56 Ų5655.8 Ų55.830%0.29932%0.317SS..  trans-70.7148.8174.3-63.1-24.7000111.1K97 L98 L99 G100 H102D90-K97 HydrophobicContact CB-CG 4.47Å; D90-K97 VanDerWaalsContact CG-CE 3.42Å; D90-K97 WeakPolarHBondContact OD2-CE 3.14Å; D90-K97 IonicContact OD2-NZ 3.49Å; D90-K97 PolarHBondContact OD2-NZ 3.42Å; D90-L98 CarbonylContact C-O 3.56Å; D90-L98 VanDerWaalsContact CA-O 3.32Å; D90-L98 WeakPolarHBondContact CA-O 3.42Å; D90-L99 VanDerWaalsContact OD1-CA 3.28Å; D90-L99 WeakPolarHBondContact OD1-CA 3.42Å; D90-L99 WeakPolarHBondContact OD1-CD2 3.45Å; D90-G100 PolarHBondContact OD1-N 2.77Å; D90-G100 VanDerWaalsContact OD1-N 3.14Å; D90-H102 IonicContact OD1-CE1 3.54Å; D90-H102 PolarHBondContact OD1-CE1 3.11Å; D90-H102 IonicContact OD1-NE2 3.76Å; D90-H102 PolarHBondContact OD1-NE2 3.01Å; D90-H102 VanDerWaalsContact OD1-NE2 3.11Å; D90-H102 IonicContact OD2-NE2 2.82Å
91R93.5Very high93.6Very high114 Ų11454.3 Ų54.343%0.4330%0.302SS..EExtended strand (participates in β ladder)trans-123.8152.5173.7-67.8-176.6-176.1175.81.5110.2W87 L98W87-R91 VanDerWaalsContact CD1-NE 3.3Å; R91-L98 PolarHBondContact N-O 2.84Å; R91-L98 PolarHBondContact O-N 2.85Å
92E93.4Very high93.6Very high162 Ų16255.9 Ų55.976%0.75731%0.309SS*.EExtended strand (participates in β ladder)trans-108.6128.5171.6-166177.7150.700109.2M96E92-M96 WeakPolarHBondContact CA-O 3.44Å
93C87.3Confident93.4Very high70 Ų7060.7 Ų60.747%0.47333%0.331SS..EExtended strand (participates in β ladder)trans-132.9113177-171.60000108.5G95 M96 L98C93-G95 PolarHBondContact O-N 3.2Å; C93-M96 PolarHBondContact N-O 3.05Å; C93-M96 WeakPolarHBondContact O-CB 3.35Å; C93-M96 PolarHBondContact O-N 2.88Å; C93-L98 HydrophobicContact CB-CD1 3.85Å; C93-L98 HydrophobicContact CB-CG 4.36Å
94S89.3Confident93.4Very high130 Ų13062.8 Ų62.891%0.90934%0.341SS*.THydrogen-bonded Turntrans53.238.5176.8-560000114.2M96S94-M96 VanDerWaalsContact C-N 3.26Å; S94-M96 PolarHBondContact O-N 2.79Å
95G88.3Confident93.5Very high65 Ų6561.6 Ų61.667%0.6733%0.332SS*.THydrogen-bonded Turntrans78.91.9-177.600000115C93C93-G95 PolarHBondContact O-N 3.2Å
96M87.6Confident93.5Very high104 Ų10462.6 Ų62.651%0.51234%0.344SS..EExtended strand (participates in β ladder)trans-98129.3171.4-179.8168.3145.400110E92 C93 S94 L98E92-M96 WeakPolarHBondContact CA-O 3.44Å; C93-M96 PolarHBondContact N-O 3.05Å; C93-M96 WeakPolarHBondContact O-CB 3.35Å; C93-M96 PolarHBondContact O-N 2.88Å; S94-M96 VanDerWaalsContact C-N 3.26Å; S94-M96 PolarHBondContact O-N 2.79Å; M96-L98 HydrophobicContact CE-CD2 3.25Å; M96-L98 HydrophobicContact CG-CD2 3.99Å; M96-L98 HydrophobicContact SD-CD2 4.24Å
97K90.4Very high93.5Very high132 Ų13264.1 Ų64.157%0.57435%0.353SS*.EExtended strand (participates in β ladder)trans-85.3116.7174.2-171.3-179.6-178.9-165.30109.4D90 L99D90-K97 HydrophobicContact CB-CG 4.47Å; D90-K97 VanDerWaalsContact CG-CE 3.42Å; D90-K97 WeakPolarHBondContact OD2-CE 3.14Å; D90-K97 IonicContact OD2-NZ 3.49Å; D90-K97 PolarHBondContact OD2-NZ 3.42Å; K97-L99 HydrophobicContact CD-CD2 4.41Å; K97-L99 HydrophobicContact CG-CD2 4.46Å
98L92.1Very high93.6Very high28 Ų2862.4 Ų62.415%0.14735%0.347CS..EExtended strand (participates in β ladder)trans-98.3125.3176.4-53.2179.7000109.3E55 W87 D90 R91 C93 M96E55-L98 VanDerWaalsContact OE1-CA 3.25Å; E55-L98 WeakPolarHBondContact OE1-CA 3.46Å; E55-L98 WeakPolarHBondContact OE1-CB 3.24Å; W87-L98 HydrophobicContact CH2-CD1 4.32Å; W87-L98 HydrophobicContact CZ2-CB 3.92Å; W87-L98 HydrophobicContact CZ2-CD1 4.15Å; D90-L98 CarbonylContact C-O 3.56Å; D90-L98 VanDerWaalsContact CA-O 3.32Å; D90-L98 WeakPolarHBondContact CA-O 3.42Å; R91-L98 PolarHBondContact N-O 2.84Å; R91-L98 PolarHBondContact O-N 2.85Å; C93-L98 HydrophobicContact CB-CD1 3.85Å; C93-L98 HydrophobicContact CB-CG 4.36Å; M96-L98 HydrophobicContact CE-CD2 3.25Å; M96-L98 HydrophobicContact CG-CD2 3.99Å; M96-L98 HydrophobicContact SD-CD2 4.24Å
99L94.5Very high93.7Very high46 Ų4660.6 Ų60.624%0.24134%0.337CS..PPolyproline II helixtrans-85.3133.1-174-59.9-178.1000111E55 V83 N85 D90 K97E55-L99 PolarHBondContact OE1-N 3.41Å; V83-L99 HydrophobicContact CB-CB 4.36Å; V83-L99 HydrophobicContact CG1-CB 3.61Å; V83-L99 HydrophobicContact CG1-CD1 4.39Å; N85-L99 WeakPolarHBondContact CB-O 3.41Å; N85-L99 PolarHBondContact ND2-O 3.01Å; D90-L99 VanDerWaalsContact OD1-CA 3.28Å; D90-L99 WeakPolarHBondContact OD1-CA 3.42Å; D90-L99 WeakPolarHBondContact OD1-CD2 3.45Å; K97-L99 HydrophobicContact CD-CD2 4.41Å; K97-L99 HydrophobicContact CG-CD2 4.46Å
100G95.9Very high93.8Very high0 Ų061.6 Ų61.60%034%0.336CS..  trans-113.6-167.1178.400000114.2G89 D90 H102G89-G100 WeakPolarHBondContact O-CA 3.42Å; D90-G100 PolarHBondContact OD1-N 2.77Å; D90-G100 VanDerWaalsContact OD1-N 3.14Å; G100-H102 PolarHBondContact O-CE1 2.94Å; G100-H102 PolarHBondContact O-ND1 3.14Å
101I97Very high93.8Very high4 Ų460 Ų602%0.02133%0.328CS..BIsolated β-bridgetrans-85131.8174.8-54.1-62.7000109N75 T79 V83 W87 D88 G89 E103 Y124 L125N75-I101 HydrophobicContact CB-CD1 4.46Å; T79-I101 HydrophobicContact CG2-CD1 4.35Å; T79-I101 HydrophobicContact CG2-CG2 4.39Å; V83-I101 HydrophobicContact CG2-CD1 3.67Å; W87-I101 PolarHBondContact O-N 3.35Å; D88-I101 CarbonylContact C-O 3.58Å; D88-I101 WeakPolarHBondContact CA-O 3.34Å; G89-I101 PolarHBondContact N-O 3.19Å; I101-E103 WeakPolarHBondContact CG2-O 2.83Å; I101-Y124 HydrophobicContact CB-CD2 4.47Å; I101-Y124 HydrophobicContact CG2-CD2 4.16Å; I101-Y124 VanDerWaalsContact O-CD2 3.23Å; I101-Y124 WeakPolarHBondContact O-CD2 2.94Å; I101-Y124 WeakPolarHBondContact O-CE2 3.22Å; I101-L125 HydrophobicContact CD1-CD1 4.24Å; I101-L125 HydrophobicContact CG1-CD1 3.8Å; I101-L125 HydrophobicContact CG1-CG 4.05Å; I101-L125 HydrophobicContact CG2-CD2 4.41Å; I101-L125 HydrophobicContact CG2-CG 4.39Å
102H94.8Very high94Very high97 Ų9758.5 Ų58.545%0.44933%0.329SS..  trans-106.5-13.8-171.1-69.985.8000114.3D90 G100D90-H102 IonicContact OD1-CE1 3.54Å; D90-H102 PolarHBondContact OD1-CE1 3.11Å; D90-H102 IonicContact OD1-NE2 3.76Å; D90-H102 PolarHBondContact OD1-NE2 3.01Å; D90-H102 VanDerWaalsContact OD1-NE2 3.11Å; D90-H102 IonicContact OD2-NE2 2.82Å; G100-H102 PolarHBondContact O-CE1 2.94Å; G100-H102 PolarHBondContact O-ND1 3.14Å
103E93.4Very high94.1Very high101 Ų10153.6 Ų53.647%0.47231%0.306SS..SBendtrans-144.3150.9-177.659.7169.8-148.900112.2I101 A105 Y124I101-E103 WeakPolarHBondContact CG2-O 2.83Å; E103-A105 PolarHBondContact O-N 3.23Å; E103-Y124 WeakPolarHBondContact O-CB 3.42Å
104Q94.5Very high94.5Very high49 Ų4952.4 Ų52.423%0.22929%0.294CS..  trans-62.5117.3175-169.3-174.234.600110.5Y124 S127 K129Q104-Y124 HydrophobicContact CB-CD1 4.36Å; Q104-S127 VanDerWaalsContact CG-O 3.23Å; Q104-S127 WeakPolarHBondContact CG-O 3.28Å; Q104-S127 PolarHBondContact NE2-O 2.69Å; Q104-K129 HydrophobicContact CG-CG 4.34Å; Q104-K129 VanDerWaalsContact O-CE 3.24Å; Q104-K129 WeakPolarHBondContact O-CE 3.46Å
105A95.9Very high94.8Very high2 Ų250 Ų502%0.01728%0.282CS..  trans-71.7153.1-177.200000111.7T79 E103 V107 Y124 L125 P128 K129T79-A105 HydrophobicContact CG2-CB 4.08Å; E103-A105 PolarHBondContact O-N 3.23Å; A105-V107 VanDerWaalsContact CB-O 3.22Å; A105-V107 WeakPolarHBondContact CB-O 3.42Å; A105-Y124 PolarHBondContact N-O 2.78Å; A105-L125 HydrophobicContact CB-CD2 3.94Å; A105-P128 CarbonylContact O-C 3.55Å; A105-P128 WeakPolarHBondContact O-CA 3.03Å; A105-P128 WeakPolarHBondContact O-CB 3.34Å; A105-K129 PolarHBondContact O-N 2.84Å
106A95.5Very high95.2Very high43 Ų4351.3 Ų51.336%0.35527%0.273SS..SBendtrans-70.9-38.9174.100000112F130A106-F130 HydrophobicContact CB-CD2 4.29Å; A106-F130 HydrophobicContact CB-CE2 4.44Å; A106-F130 WeakPolarHBondContact O-CD2 3.25Å; A106-F130 PolarHBondContact O-N 3.26Å; A106-F130 VanDerWaalsContact O-N 3.17Å
107V97.4Very high95.6Very high43 Ų4357.2 Ų57.226%0.26129%0.289SS..SBendtrans-116.8134.2173.7174.60000107.5L78 A105 I132 I134L78-V107 HydrophobicContact CD2-CB 3.97Å; L78-V107 HydrophobicContact CD2-CG1 3.85Å; A105-V107 VanDerWaalsContact CB-O 3.22Å; A105-V107 WeakPolarHBondContact CB-O 3.42Å; V107-I132 HydrophobicContact CG1-CB 4.44Å; V107-I132 HydrophobicContact CG1-CG2 4.06Å; V107-I132 HydrophobicContact CG2-CB 4.48Å; V107-I132 HydrophobicContact CG2-CG2 4.44Å; V107-I134 HydrophobicContact CG1-CG1 4.3Å
108G97.4Very high95.8Very high0 Ų059.5 Ų59.50%030%0.296CS..EExtended strand (participates in β ladder)trans-84.8174.3-175.300000113.4L125 P128 I132 W133 I134G108-L125 CarbonylContact C-O 3.06Å; G108-L125 WeakPolarHBondContact CA-O 3.45Å; G108-P128 VanDerWaalsContact N-CB 3.26Å; G108-I132 PolarHBondContact N-O 2.88Å; G108-W133 WeakPolarHBondContact O-CA 3.39Å; G108-I134 PolarHBondContact O-N 3.49Å
109F98.2Very high95.9Very high2 Ų260.4 Ų60.41%0.00930%0.304CS..EExtended strand (participates in β ladder)trans-134134.3171.2-177.6-104.8000109.8I74 L78 V86 T111 L125 I134 L141I74-F109 HydrophobicContact CD1-CE2 4.37Å; I74-F109 HydrophobicContact CG2-CD2 3.93Å; I74-F109 HydrophobicContact CG2-CE2 3.98Å; L78-F109 HydrophobicContact CD1-CB 3.8Å; L78-F109 HydrophobicContact CD1-CD2 4.35Å; L78-F109 HydrophobicContact CD1-CG 4.42Å; V86-F109 HydrophobicContact CG1-CD1 4.08Å; V86-F109 HydrophobicContact CG1-CE1 4.08Å; F109-T111 HydrophobicContact CE1-CG2 4.03Å; F109-L125 HydrophobicContact CB-CB 4.3Å; F109-L125 HydrophobicContact CB-CD1 4.21Å; F109-L125 HydrophobicContact CB-CD2 4.47Å; F109-L125 PolarHBondContact N-O 2.84Å; F109-I134 CarbonylContact C-O 3.59Å; F109-I134 VanDerWaalsContact CA-O 3.31Å; F109-I134 WeakPolarHBondContact CA-O 3.47Å; F109-I134 HydrophobicContact CD2-CB 4.08Å; F109-I134 HydrophobicContact CD2-CG2 4.14Å; F109-I134 HydrophobicContact CE2-CG2 4.29Å; F109-L141 HydrophobicContact CE2-CD2 4.41Å
110L97.4Very high95.9Very high46 Ų4663.6 Ų63.624%0.24132%0.316CS..EExtended strand (participates in β ladder)trans-127.8149.7172.4-58.4175.1000108.1K126 W133 I134 V135 G136L110-K126 HydrophobicContact CD2-CG 3.88Å; L110-W133 HydrophobicContact CD1-CB 4.16Å; L110-W133 HydrophobicContact CD1-CG 3.96Å; L110-W133 HydrophobicContact CG-CB 4.21Å; L110-W133 HydrophobicContact CG-CG 4.09Å; L110-I134 PolarHBondContact N-O 3.17Å; L110-V135 HydrophobicContact CB-CG1 4.41Å; L110-V135 HydrophobicContact CB-CG2 4.28Å; L110-V135 HydrophobicContact CD1-CG2 4.41Å; L110-V135 CarbonylContact O-C 3.56Å; L110-V135 VanDerWaalsContact O-CA 3.3Å; L110-V135 WeakPolarHBondContact O-CA 3.33Å; L110-G136 PolarHBondContact O-N 2.74Å
111T96.9Very high96Very high21 Ų2163.7 Ų63.713%0.12932%0.316CS..EExtended strand (participates in β ladder)trans-139.4142.3178.5176.70000111.8F109 M113 E114 V121 G136F109-T111 HydrophobicContact CE1-CG2 4.03Å; T111-M113 HydrophobicContact CG2-CB 4.08Å; T111-M113 PolarHBondContact O-N 3.01Å; T111-M113 PolarHBondContact OG1-N 3.29Å; T111-M113 VanDerWaalsContact OG1-N 3.16Å; T111-E114 HydrophobicContact CG2-CB 4.25Å; T111-E114 PolarHBondContact O-N 3.44Å; T111-E114 VanDerWaalsContact O-N 3.09Å; T111-V121 HydrophobicContact CG2-CG2 3.81Å; T111-G136 CarbonylContact C-O 3.54Å; T111-G136 WeakPolarHBondContact CA-O 3.33Å; T111-G136 PolarHBondContact OG1-O 3.43Å
112L96.2Very high95.9Very high84 Ų8463.7 Ų63.744%0.4432%0.317SS..Hα-helixtrans-55.1-30.1170.5-179.162.2000111.5E114 A115 L116 G136L112-E114 PolarHBondContact O-N 3.04Å; L112-A115 HydrophobicContact CD1-CB 4.41Å; L112-A115 WeakPolarHBondContact O-CB 3.19Å; L112-A115 PolarHBondContact O-N 3.28Å; L112-A115 VanDerWaalsContact O-N 3.09Å; L112-L116 HydrophobicContact CD1-CG 4.38Å; L112-L116 HydrophobicContact CD2-CD1 4.39Å; L112-L116 HydrophobicContact CG-CD1 4Å; L112-L116 HydrophobicContact CG-CG 4.23Å; L112-L116 WeakPolarHBondContact O-CG 3.23Å; L112-L116 PolarHBondContact O-N 3.37Å; L112-G136 PolarHBondContact N-O 2.91Å
113M95.6Very high95.9Very high58 Ų5859.6 Ų59.629%0.28630%0.3SS..Hα-helixtrans-60.5-30.7178.4-64.5-58.8105.900112.9T111 L116 R117 Y118T111-M113 HydrophobicContact CG2-CB 4.08Å; T111-M113 PolarHBondContact O-N 3.01Å; T111-M113 PolarHBondContact OG1-N 3.29Å; T111-M113 VanDerWaalsContact OG1-N 3.16Å; M113-L116 HydrophobicContact CE-CD1 3.83Å; M113-R117 PolarHBondContact O-N 3.5Å; M113-R117 VanDerWaalsContact O-N 3.17Å; M113-Y118 PolarHBondContact O-N 3.49Å; M113-Y118 HydrophobicContact SD-CD2 3.83Å; M113-Y118 HydrophobicContact SD-CG 4.48Å
114E96.7Very high96Very high45 Ų4558.4 Ų58.421%0.2129%0.291CS..Hα-helixtrans-71.7-42.2174.3-178.4174.7-142.200111.2T111 L112 L116 R117 C119 V121 K126T111-E114 HydrophobicContact CG2-CB 4.25Å; T111-E114 PolarHBondContact O-N 3.44Å; T111-E114 VanDerWaalsContact O-N 3.09Å; L112-E114 PolarHBondContact O-N 3.04Å; E114-L116 PolarHBondContact O-N 3.17Å; E114-R117 WeakPolarHBondContact O-CA 3.47Å; E114-R117 PolarHBondContact O-N 2.6Å; E114-C119 WeakPolarHBondContact CA-O 3.47Å; E114-V121 HydrophobicContact CB-CG2 4.15Å; E114-V121 PolarHBondContact OE1-N 3.49Å; E114-V121 WeakPolarHBondContact OE2-CB 3.41Å; E114-V121 WeakPolarHBondContact OE2-CG2 3.36Å; E114-K126 IonicContact OE1-NZ 3.97Å; E114-K126 PolarHBondContact OE1-NZ 3.41Å
115A95Very high96.1Very high79 Ų7956.1 Ų56.165%0.65328%0.281SS*.Hα-helixtrans-62.6-33.517600000112.1L112 R117L112-A115 HydrophobicContact CD1-CB 4.41Å; L112-A115 WeakPolarHBondContact O-CB 3.19Å; L112-A115 PolarHBondContact O-N 3.28Å; L112-A115 VanDerWaalsContact O-N 3.09Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 PolarHBondContact O-N 3.49Å
116L96.4Very high96.1Very high93 Ų9358.8 Ų58.849%0.48729%0.292SS..THydrogen-bonded Turntrans-82.10.9173.5-62.6178.2000113.7L112 M113 E114 Y118L112-L116 HydrophobicContact CD1-CG 4.38Å; L112-L116 HydrophobicContact CD2-CD1 4.39Å; L112-L116 HydrophobicContact CG-CD1 4Å; L112-L116 HydrophobicContact CG-CG 4.23Å; L112-L116 WeakPolarHBondContact O-CG 3.23Å; L112-L116 PolarHBondContact O-N 3.37Å; M113-L116 HydrophobicContact CE-CD1 3.83Å; E114-L116 PolarHBondContact O-N 3.17Å; L116-Y118 VanDerWaalsContact C-N 3.3Å; L116-Y118 HydrophobicContact CB-CD2 3.55Å; L116-Y118 HydrophobicContact CB-CE2 3.66Å; L116-Y118 HydrophobicContact CD1-CD2 4.31Å; L116-Y118 HydrophobicContact CD1-CE2 4.02Å; L116-Y118 HydrophobicContact CG-CE2 4.48Å; L116-Y118 PolarHBondContact O-N 2.71Å
117R95.7Very high96Very high228 Ų22857.6 Ų57.686%0.8628%0.281SS*.THydrogen-bonded Turntrans66.221.5177.6-48.5179.1178.6-172.6-1.3115.3M113 E114 A115M113-R117 PolarHBondContact O-N 3.5Å; M113-R117 VanDerWaalsContact O-N 3.17Å; E114-R117 WeakPolarHBondContact O-CA 3.47Å; E114-R117 PolarHBondContact O-N 2.6Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 PolarHBondContact O-N 3.49Å
118Y94.8Very high96Very high181 Ų18155.6 Ų55.671%0.7127%0.269SS*.SBendtrans-78.9-29173.6-69.9-66.4000113M113 L116M113-Y118 PolarHBondContact O-N 3.49Å; M113-Y118 HydrophobicContact SD-CD2 3.83Å; M113-Y118 HydrophobicContact SD-CG 4.48Å; L116-Y118 VanDerWaalsContact C-N 3.3Å; L116-Y118 HydrophobicContact CB-CD2 3.55Å; L116-Y118 HydrophobicContact CB-CE2 3.66Å; L116-Y118 HydrophobicContact CD1-CD2 4.31Å; L116-Y118 HydrophobicContact CD1-CE2 4.02Å; L116-Y118 HydrophobicContact CG-CE2 4.48Å; L116-Y118 PolarHBondContact O-N 2.71Å
119C93.9Very high95.8Very high46 Ų4660.5 Ų60.531%0.31129%0.29SS..  trans-143.3174.517671.90000111.2E114E114-C119 WeakPolarHBondContact CA-O 3.47Å
120K95.4Very high95.7Very high114 Ų11465.7 Ų65.750%0.49631%0.313SS..  trans-128.4117.5172.3-177.6176.8-179.2179.90108.5
121V97.1Very high95.7Very high1 Ų163.9 Ų63.91%0.00630%0.304CS..  trans-76142.2174.8-172.80000108.3V86 T111 E114 L125 K126V86-V121 HydrophobicContact CB-CG1 4.39Å; V86-V121 HydrophobicContact CB-CG2 4.42Å; V86-V121 HydrophobicContact CG2-CB 4.5Å; V86-V121 HydrophobicContact CG2-CG2 4.01Å; V86-V121 CarbonylContact O-C 3.59Å; V86-V121 WeakPolarHBondContact O-CA 3.13Å; T111-V121 HydrophobicContact CG2-CG2 3.81Å; E114-V121 HydrophobicContact CB-CG2 4.15Å; E114-V121 PolarHBondContact OE1-N 3.49Å; E114-V121 WeakPolarHBondContact OE2-CB 3.41Å; E114-V121 WeakPolarHBondContact OE2-CG2 3.36Å; V121-L125 HydrophobicContact CG1-CB 3.68Å; V121-L125 HydrophobicContact CG1-CD1 4.29Å; V121-K126 HydrophobicContact CB-CD 4.06Å; V121-K126 HydrophobicContact CB-CG 3.86Å; V121-K126 HydrophobicContact CG1-CD 4.44Å; V121-K126 HydrophobicContact CG1-CG 3.7Å; V121-K126 WeakPolarHBondContact O-CE 3.49Å; V121-K126 PolarHBondContact O-NZ 3.48Å
122G96.4Very high95.8Very high4 Ų466 Ų664%0.04131%0.314CS..  trans-76.6162.7177.700000113V86 D88 Y124 L125 K126V86-G122 PolarHBondContact O-N 3.18Å; D88-G122 VanDerWaalsContact CG-CA 3.41Å; D88-G122 WeakPolarHBondContact OD1-CA 3.48Å; D88-G122 WeakPolarHBondContact OD2-CA 3.23Å; G122-Y124 PolarHBondContact O-N 2.78Å; G122-L125 PolarHBondContact O-N 2.9Å; G122-K126 WeakPolarHBondContact O-CB 3.3Å; G122-K126 WeakPolarHBondContact O-CG 3.42Å; G122-K126 PolarHBondContact O-N 2.77Å
123S94.6Very high95.8Very high12 Ų1262.7 Ų62.78%0.08430%0.296CS..Hα-helixtrans-67.2-24.8175.849.80000112.8D88 L125 K126 S127 E155D88-S123 VanDerWaalsContact CG-N 3.29Å; D88-S123 PolarHBondContact OD1-N 3.23Å; D88-S123 PolarHBondContact OD2-N 3.42Å; D88-S123 PolarHBondContact OD2-OG 3.05Å; S123-L125 PolarHBondContact O-N 2.84Å; S123-K126 PolarHBondContact O-N 2.84Å; S123-S127 PolarHBondContact O-N 2.84Å; S123-E155 WeakPolarHBondContact CB-OE2 3.42Å; S123-E155 PolarHBondContact OG-OE2 3.18Å
124Y95.6Very high96Very high76 Ų7661.6 Ų61.630%0.29829%0.291SS..Hα-helixtrans-65.2-24.9175.8-65.7-17.4000114D88 I101 E103 Q104 A105 G122D88-Y124 HydrophobicContact CB-CD2 3.81Å; D88-Y124 HydrophobicContact CB-CE2 3.88Å; D88-Y124 HydrophobicContact CB-CG 4.34Å; D88-Y124 WeakPolarHBondContact OD1-CB 3.4Å; D88-Y124 WeakPolarHBondContact OD1-CD2 3.41Å; D88-Y124 VanDerWaalsContact OD1-CG 3.23Å; D88-Y124 PolarHBondContact OD1-N 2.76Å; I101-Y124 HydrophobicContact CB-CD2 4.47Å; I101-Y124 HydrophobicContact CG2-CD2 4.16Å; I101-Y124 VanDerWaalsContact O-CD2 3.23Å; I101-Y124 WeakPolarHBondContact O-CD2 2.94Å; I101-Y124 WeakPolarHBondContact O-CE2 3.22Å; E103-Y124 WeakPolarHBondContact O-CB 3.42Å; Q104-Y124 HydrophobicContact CB-CD1 4.36Å; A105-Y124 PolarHBondContact N-O 2.78Å; G122-Y124 PolarHBondContact O-N 2.78Å
125L96.8Very high96Very high0 Ų061.4 Ų61.40%029%0.293CS..Hα-helixtrans-102.3-30.2173.5-66.2-179.8000112.8T79 V86 I101 A105 G108 F109 V121 G122 S123T79-L125 HydrophobicContact CG2-CD2 4.09Å; V86-L125 HydrophobicContact CB-CD1 4Å; V86-L125 HydrophobicContact CG1-CD1 4.28Å; I101-L125 HydrophobicContact CD1-CD1 4.24Å; I101-L125 HydrophobicContact CG1-CD1 3.8Å; I101-L125 HydrophobicContact CG1-CG 4.05Å; I101-L125 HydrophobicContact CG2-CD2 4.41Å; I101-L125 HydrophobicContact CG2-CG 4.39Å; A105-L125 HydrophobicContact CB-CD2 3.94Å; G108-L125 CarbonylContact C-O 3.06Å; G108-L125 WeakPolarHBondContact CA-O 3.45Å; F109-L125 HydrophobicContact CB-CB 4.3Å; F109-L125 HydrophobicContact CB-CD1 4.21Å; F109-L125 HydrophobicContact CB-CD2 4.47Å; F109-L125 PolarHBondContact N-O 2.84Å; V121-L125 HydrophobicContact CG1-CB 3.68Å; V121-L125 HydrophobicContact CG1-CD1 4.29Å; G122-L125 PolarHBondContact O-N 2.9Å; S123-L125 PolarHBondContact O-N 2.84Å
126K95.3Very high96Very high58 Ų5857.9 Ų57.925%0.25226%0.263SS..Hα-helixtrans-77.8-35.1179.5-75.1-167.6-70.3-151.70114L110 E114 V121 G122 S123 P128 W133L110-K126 HydrophobicContact CD2-CG 3.88Å; E114-K126 IonicContact OE1-NZ 3.97Å; E114-K126 PolarHBondContact OE1-NZ 3.41Å; V121-K126 HydrophobicContact CB-CD 4.06Å; V121-K126 HydrophobicContact CB-CG 3.86Å; V121-K126 HydrophobicContact CG1-CD 4.44Å; V121-K126 HydrophobicContact CG1-CG 3.7Å; V121-K126 WeakPolarHBondContact O-CE 3.49Å; V121-K126 PolarHBondContact O-NZ 3.48Å; G122-K126 WeakPolarHBondContact O-CB 3.3Å; G122-K126 WeakPolarHBondContact O-CG 3.42Å; G122-K126 PolarHBondContact O-N 2.77Å; S123-K126 PolarHBondContact O-N 2.84Å; K126-P128 WeakPolarHBondContact O-CD 3.32Å; K126-W133 PolarHBondContact O-NE1 3.29Å
127S94.3Very high95.7Very high19 Ų1955.8 Ų55.813%0.13326%0.257CS..SBendtrans-113.373.8176.1-162.20000108.9Q104 S123 V152 A153Q104-S127 VanDerWaalsContact CG-O 3.23Å; Q104-S127 WeakPolarHBondContact CG-O 3.28Å; Q104-S127 PolarHBondContact NE2-O 2.69Å; S123-S127 PolarHBondContact O-N 2.84Å; S127-V152 WeakPolarHBondContact OG-CA 3.39Å; S127-V152 PolarHBondContact OG-O 3.34Å; S127-A153 PolarHBondContact OG-O 3.34Å
128P95.8Very high95Very high0 Ų053.1 Ų53.10%025%0.254CS..  trans-68.4178179.729.9-38.2000112.7A105 G108 K126 F130 W133 V152A105-P128 CarbonylContact O-C 3.55Å; A105-P128 WeakPolarHBondContact O-CA 3.03Å; A105-P128 WeakPolarHBondContact O-CB 3.34Å; G108-P128 VanDerWaalsContact N-CB 3.26Å; K126-P128 WeakPolarHBondContact O-CD 3.32Å; P128-F130 VanDerWaalsContact C-N 3.35Å; P128-F130 WeakPolarHBondContact CG-O 3.47Å; P128-W133 HydrophobicContact CG-CD2 4.37Å; P128-W133 HydrophobicContact CG-CZ2 4.15Å; P128-V152 HydrophobicContact CG-CG1 3.98Å; P128-V152 VanDerWaalsContact O-CB 3.24Å; P128-V152 WeakPolarHBondContact O-CB 3.48Å
129K94.8Very high94.5Very high103 Ų10347.8 Ų47.845%0.44824%0.241SC..SBendtrans-73.8-27.2177.4-61.3175-179163.70113.2Q104 A105 M149Q104-K129 HydrophobicContact CG-CG 4.34Å; Q104-K129 VanDerWaalsContact O-CE 3.24Å; Q104-K129 WeakPolarHBondContact O-CE 3.46Å; A105-K129 PolarHBondContact O-N 2.84Å; K129-M149 WeakPolarHBondContact O-CE 3.44Å
130F95.9Very high94.3Very high111 Ų11152.1 Ų52.149%0.48726%0.256SS..SBendtrans-123.5143.9177.2-59.2-74.5000109.4A106 P128 I132A106-F130 HydrophobicContact CB-CD2 4.29Å; A106-F130 HydrophobicContact CB-CE2 4.44Å; A106-F130 WeakPolarHBondContact O-CD2 3.25Å; A106-F130 PolarHBondContact O-N 3.26Å; A106-F130 VanDerWaalsContact O-N 3.17Å; P128-F130 VanDerWaalsContact C-N 3.35Å; P128-F130 WeakPolarHBondContact CG-O 3.47Å; F130-I132 HydrophobicContact CB-CD1 4.31Å; F130-I132 HydrophobicContact CB-CG1 4.36Å; F130-I132 PolarHBondContact O-N 2.76Å
131P96.8Very high94.2Very high9 Ų951.3 Ų51.36%0.05826%0.256CS..SBendtrans-72.461.6-179.331.7-38000111.9W133 F145 A146 M149 V152P131-W133 VanDerWaalsContact CA-CH2 3.47Å; P131-W133 VanDerWaalsContact CA-CZ3 3.43Å; P131-W133 HydrophobicContact CB-CH2 3.72Å; P131-W133 HydrophobicContact CB-CZ3 3.8Å; P131-W133 VanDerWaalsContact O-CZ3 3.32Å; P131-W133 WeakPolarHBondContact O-CZ3 3.19Å; P131-F145 CarbonylContact O-C 3.54Å; P131-F145 WeakPolarHBondContact O-CA 3.41Å; P131-F145 WeakPolarHBondContact O-CB 3.22Å; P131-A146 HydrophobicContact CB-CB 4.3Å; P131-A146 WeakPolarHBondContact CG-O 3.43Å; P131-A146 PolarHBondContact O-N 2.89Å; P131-M149 WeakPolarHBondContact CD-SD 3.43Å; P131-M149 HydrophobicContact CG-SD 3.88Å; P131-V152 HydrophobicContact CB-CG1 3.99Å; P131-V152 HydrophobicContact CB-CG2 4.39Å
132I97.9Very high94.2Very high66 Ų6655.5 Ų55.534%0.33828%0.282SS..EExtended strand (participates in β ladder)trans-137.1128.3179.5-52.7173.9000106.2V107 G108 F130 V143 F144 F145V107-I132 HydrophobicContact CG1-CB 4.44Å; V107-I132 HydrophobicContact CG1-CG2 4.06Å; V107-I132 HydrophobicContact CG2-CB 4.48Å; V107-I132 HydrophobicContact CG2-CG2 4.44Å; G108-I132 PolarHBondContact N-O 2.88Å; F130-I132 HydrophobicContact CB-CD1 4.31Å; F130-I132 HydrophobicContact CB-CG1 4.36Å; F130-I132 PolarHBondContact O-N 2.76Å; I132-V143 HydrophobicContact CG2-CG1 4.06Å; I132-F144 CarbonylContact C-O 3.41Å; I132-F144 WeakPolarHBondContact CA-O 3.49Å; I132-F145 HydrophobicContact CB-CB 4.5Å; I132-F145 HydrophobicContact CG1-CB 4.16Å; I132-F145 HydrophobicContact CG2-CB 4.49Å
133W98.1Very high94.2Very high13 Ų1359.5 Ų59.55%0.04931%0.306CS..EExtended strand (participates in β ladder)trans-132.5143179.5-60.9-100.9000110G108 L110 K126 P128 P131 V135 V143 F144 L151 V152G108-W133 WeakPolarHBondContact O-CA 3.39Å; L110-W133 HydrophobicContact CD1-CB 4.16Å; L110-W133 HydrophobicContact CD1-CG 3.96Å; L110-W133 HydrophobicContact CG-CB 4.21Å; L110-W133 HydrophobicContact CG-CG 4.09Å; K126-W133 PolarHBondContact O-NE1 3.29Å; P128-W133 HydrophobicContact CG-CD2 4.37Å; P128-W133 HydrophobicContact CG-CZ2 4.15Å; P131-W133 VanDerWaalsContact CA-CH2 3.47Å; P131-W133 VanDerWaalsContact CA-CZ3 3.43Å; P131-W133 HydrophobicContact CB-CH2 3.72Å; P131-W133 HydrophobicContact CB-CZ3 3.8Å; P131-W133 VanDerWaalsContact O-CZ3 3.32Å; P131-W133 WeakPolarHBondContact O-CZ3 3.19Å; W133-V135 HydrophobicContact CB-CG2 4.48Å; W133-V143 WeakPolarHBondContact O-CA 3.46Å; W133-F144 HydrophobicContact CD2-CD1 4.34Å; W133-F144 AromaticContact CE3-CD1 3.63Å; W133-F144 HydrophobicContact CE3-CD1 3.63Å; W133-F144 HydrophobicContact CE3-CE1 4.09Å; W133-F144 HydrophobicContact CZ3-CD1 4.08Å; W133-F144 HydrophobicContact CZ3-CE1 4.08Å; W133-F144 PolarHBondContact N-O 2.89Å; W133-F144 PolarHBondContact O-N 2.97Å; W133-L151 HydrophobicContact CH2-CB 4.25Å; W133-V152 HydrophobicContact CH2-CG1 3.55Å; W133-V152 HydrophobicContact CZ2-CG1 3.32Å
134I97.9Very high94.3Very high36 Ų3664.1 Ų64.119%0.18533%0.325CS..EExtended strand (participates in β ladder)trans-82.2130.1156.2-56-53.9000107.5L78 V107 G108 F109 L110 L141 T142 V143L78-I134 HydrophobicContact CD2-CG1 4.07Å; V107-I134 HydrophobicContact CG1-CG1 4.3Å; G108-I134 PolarHBondContact O-N 3.49Å; F109-I134 CarbonylContact C-O 3.59Å; F109-I134 VanDerWaalsContact CA-O 3.31Å; F109-I134 WeakPolarHBondContact CA-O 3.47Å; F109-I134 HydrophobicContact CD2-CB 4.08Å; F109-I134 HydrophobicContact CD2-CG2 4.14Å; F109-I134 HydrophobicContact CE2-CG2 4.29Å; L110-I134 PolarHBondContact N-O 3.17Å; I134-L141 HydrophobicContact CG2-CB 4.18Å; I134-L141 HydrophobicContact CG2-CD1 4.49Å; I134-L141 HydrophobicContact CG2-CD2 4.1Å; I134-L141 HydrophobicContact CG2-CG 4.49Å; I134-T142 CarbonylContact C-O 3.54Å; I134-T142 WeakPolarHBondContact CA-O 3.48Å; I134-V143 HydrophobicContact CD1-CG2 3.83Å
135V97.4Very high94.4Very high41 Ų4167.1 Ų67.125%0.24834%0.339CS..EExtended strand (participates in β ladder)trans-112.7117.9176.7-171.90000108.6L110 W133 L141 T142 F144L110-V135 HydrophobicContact CB-CG1 4.41Å; L110-V135 HydrophobicContact CB-CG2 4.28Å; L110-V135 HydrophobicContact CD1-CG2 4.41Å; L110-V135 CarbonylContact O-C 3.56Å; L110-V135 VanDerWaalsContact O-CA 3.3Å; L110-V135 WeakPolarHBondContact O-CA 3.33Å; W133-V135 HydrophobicContact CB-CG2 4.48Å; V135-L141 WeakPolarHBondContact O-CA 3.3Å; V135-T142 HydrophobicContact CB-CG2 3.88Å; V135-T142 PolarHBondContact N-O 2.79Å; V135-T142 PolarHBondContact O-N 3.41Å; V135-F144 HydrophobicContact CG2-CB 3.54Å
136G94.9Very high94.4Very high4 Ų468.4 Ų68.44%0.04135%0.35CS..EExtended strand (participates in β ladder)trans-101136.2179.400000113.7L110 T111 L112 H140L110-G136 PolarHBondContact O-N 2.74Å; T111-G136 CarbonylContact C-O 3.54Å; T111-G136 WeakPolarHBondContact CA-O 3.33Å; T111-G136 PolarHBondContact OG1-O 3.43Å; L112-G136 PolarHBondContact N-O 2.91Å; G136-H140 WeakPolarHBondContact CA-O 2.88Å
137S90.2Very high94.4Very high50 Ų5075.3 Ų75.335%0.3538%0.38SS..  trans-103-169.2157.175.70000109.7T139 H140S137-T139 PolarHBondContact O-N 2.81Å; S137-T139 PolarHBondContact OG-N 3.01Å; S137-H140 PolarHBondContact N-O 2.86Å; S137-H140 PolarHBondContact OG-N 3.31Å; S137-H140 VanDerWaalsContact OG-N 3.13Å; S137-H140 PolarHBondContact OG-O 2.64Å
138E81.6Confident94.4Very high171 Ų17178.6 Ų78.680%0.79940%0.396SS*.SBendtrans-59.6-33.6175.5-172177.9-172.300113
139T83.8Confident94.2Very high70 Ų7083.5 Ų83.543%0.42942%0.42SS..SBendtrans-130.4-8.5-170.8540000114.4H68 S137H68-T139 PolarHBondContact CE1-O 3.07Å; S137-T139 PolarHBondContact O-N 2.81Å; S137-T139 PolarHBondContact OG-N 3.01Å
140H89.9Confident93.9Very high136 Ų13682.1 Ų82.163%0.6343%0.429SS*.  trans-133.1142-172.9-70.374000111.9G136 S137G136-H140 WeakPolarHBondContact CA-O 2.88Å; S137-H140 PolarHBondContact N-O 2.86Å; S137-H140 PolarHBondContact OG-N 3.31Å; S137-H140 VanDerWaalsContact OG-N 3.13Å; S137-H140 PolarHBondContact OG-O 2.64Å
141L94.1Very high93.4Very high97 Ų9781.5 Ų81.551%0.50843%0.43SS..EExtended strand (participates in β ladder)trans-111.2137.9167.5-59.3177.8000108.8I74 F109 I134 V135I74-L141 HydrophobicContact CD1-CD1 3.91Å; I74-L141 HydrophobicContact CD1-CD2 3.98Å; I74-L141 HydrophobicContact CG1-CD1 4.19Å; F109-L141 HydrophobicContact CE2-CD2 4.41Å; I134-L141 HydrophobicContact CG2-CB 4.18Å; I134-L141 HydrophobicContact CG2-CD1 4.49Å; I134-L141 HydrophobicContact CG2-CD2 4.1Å; I134-L141 HydrophobicContact CG2-CG 4.49Å; V135-L141 WeakPolarHBondContact O-CA 3.3Å
142T96Very high93.1Very high90 Ų9081.3 Ų81.355%0.55243%0.429SS*.EExtended strand (participates in β ladder)trans-133.4165.5171.6-170.10000110.7I134 V135I134-T142 CarbonylContact C-O 3.54Å; I134-T142 WeakPolarHBondContact CA-O 3.48Å; V135-T142 HydrophobicContact CB-CG2 3.88Å; V135-T142 PolarHBondContact N-O 2.79Å; V135-T142 PolarHBondContact O-N 3.41Å
143V97.3Very high91.8Very high88 Ų8880.9 Ų80.953%0.53343%0.434SS..EExtended strand (participates in β ladder)trans-103125.8175.5-178.60000108.7I132 W133 I134I132-V143 HydrophobicContact CG2-CG1 4.06Å; W133-V143 WeakPolarHBondContact O-CA 3.46Å; I134-V143 HydrophobicContact CD1-CG2 3.83Å
144F96.7Very high90.2Very high109 Ų10985 Ų8548%0.47846%0.463SS..EExtended strand (participates in β ladder)trans-110.6135.7168.3177.3-109.6000108.9I132 W133 V135I132-F144 CarbonylContact C-O 3.41Å; I132-F144 WeakPolarHBondContact CA-O 3.49Å; W133-F144 HydrophobicContact CD2-CD1 4.34Å; W133-F144 AromaticContact CE3-CD1 3.63Å; W133-F144 HydrophobicContact CE3-CD1 3.63Å; W133-F144 HydrophobicContact CE3-CE1 4.09Å; W133-F144 HydrophobicContact CZ3-CD1 4.08Å; W133-F144 HydrophobicContact CZ3-CE1 4.08Å; W133-F144 PolarHBondContact N-O 2.89Å; W133-F144 PolarHBondContact O-N 2.97Å; V135-F144 HydrophobicContact CG2-CB 3.54Å
145F97.5Very high88.6Confident138 Ų13885.3 Ų85.361%0.60546%0.463SS*.EExtended strand (participates in β ladder)trans-146.6154.9177.570.2-84.2000111.4P131 I132P131-F145 CarbonylContact O-C 3.54Å; P131-F145 WeakPolarHBondContact O-CA 3.41Å; P131-F145 WeakPolarHBondContact O-CB 3.22Å; I132-F145 HydrophobicContact CB-CB 4.5Å; I132-F145 HydrophobicContact CG1-CB 4.16Å; I132-F145 HydrophobicContact CG2-CB 4.49Å
146A96.1Very high86.9Confident28 Ų2885.1 Ų85.123%0.23147%0.467CS..  trans-133.3166.7174.500000110.2P131 L151P131-A146 HydrophobicContact CB-CB 4.3Å; P131-A146 WeakPolarHBondContact CG-O 3.43Å; P131-A146 PolarHBondContact O-N 2.89Å; A146-L151 HydrophobicContact CB-CD1 3.65Å
147K94.7Very high85.4Confident202 Ų20290.2 Ų90.288%0.87850%0.499SS*.SBendtrans-94.8-14.1174-64.1-175.1180179.60113
148D94Very high83.8Confident89 Ų8991.6 Ų91.648%0.47651%0.509SS..  trans-85.6113.6-175.8-172-1.1000110.7A150 L151D148-A150 VanDerWaalsContact C-N 3.25Å; D148-A150 PolarHBondContact O-N 3.09Å; D148-A150 WeakPolarHBondContact OD1-CB 3.36Å; D148-A150 PolarHBondContact OD1-N 3.13Å; D148-L151 HydrophobicContact CB-CD1 4.21Å; D148-L151 HydrophobicContact CB-CG 4.23Å
149M91.6Very high82.8Confident102 Ų10288.3 Ų88.350%0.50249%0.493SS..G310 helixtrans-72.4-18.4177.3-67.3-63.9-64.700112.6K129 P131 L151 V152K129-M149 WeakPolarHBondContact O-CE 3.44Å; P131-M149 WeakPolarHBondContact CD-SD 3.43Å; P131-M149 HydrophobicContact CG-SD 3.88Å; M149-L151 PolarHBondContact O-N 3.48Å; M149-V152 HydrophobicContact CE-CG2 4.16Å; M149-V152 VanDerWaalsContact O-CG2 3.24Å; M149-V152 WeakPolarHBondContact O-CG2 3.33Å; M149-V152 PolarHBondContact O-N 3.18Å; M149-V152 VanDerWaalsContact O-N 3.14Å; M149-V152 HydrophobicContact SD-CG2 4.47Å
150A88.9Confident81.7Confident75 Ų7589.8 Ų89.862%0.6250%0.495SS*.G310 helixtrans-65.2-22.3178.100000112.4D148 V152D148-A150 VanDerWaalsContact C-N 3.25Å; D148-A150 PolarHBondContact O-N 3.09Å; D148-A150 WeakPolarHBondContact OD1-CB 3.36Å; D148-A150 PolarHBondContact OD1-N 3.13Å; A150-V152 PolarHBondContact O-N 3.43Å
151L86.8Confident80.1Confident97 Ų9786.5 Ų86.551%0.50849%0.492SS..G310 helixtrans-68.2-15.1175.9-64.1175.7000113.7W133 A146 D148 M149W133-L151 HydrophobicContact CH2-CB 4.25Å; A146-L151 HydrophobicContact CB-CD1 3.65Å; D148-L151 HydrophobicContact CB-CD1 4.21Å; D148-L151 HydrophobicContact CB-CG 4.23Å; M149-L151 PolarHBondContact O-N 3.48Å
152V88.9Confident78.2Confident6 Ų692.5 Ų92.54%0.03651%0.508CS..G310 helixtrans-12722.3-172.2-65.10000113.8S127 P128 P131 W133 M149 A150S127-V152 WeakPolarHBondContact OG-CA 3.39Å; S127-V152 PolarHBondContact OG-O 3.34Å; P128-V152 HydrophobicContact CG-CG1 3.98Å; P128-V152 VanDerWaalsContact O-CB 3.24Å; P128-V152 WeakPolarHBondContact O-CB 3.48Å; P131-V152 HydrophobicContact CB-CG1 3.99Å; P131-V152 HydrophobicContact CB-CG2 4.39Å; W133-V152 HydrophobicContact CH2-CG1 3.55Å; W133-V152 HydrophobicContact CZ2-CG1 3.32Å; M149-V152 HydrophobicContact CE-CG2 4.16Å; M149-V152 VanDerWaalsContact O-CG2 3.24Å; M149-V152 WeakPolarHBondContact O-CG2 3.33Å; M149-V152 PolarHBondContact O-N 3.18Å; M149-V152 VanDerWaalsContact O-N 3.14Å; M149-V152 HydrophobicContact SD-CG2 4.47Å; A150-V152 PolarHBondContact O-N 3.43Å
153A71Confident76.4Confident56 Ų5693.5 Ų93.546%0.46350%0.501SS..PPolyproline II helixtrans-57.7141.5176.600000110.7S127 E155S127-A153 PolarHBondContact OG-O 3.34Å; A153-E155 PolarHBondContact O-N 2.87Å
154P65.8Low73.9Confident99 Ų9998.3 Ų98.364%0.64353%0.531SS*.PPolyproline II helixtrans-53134.7170-21.131.4000109.4A156P154-A156 PolarHBondContact O-N 2.89Å
155E62.9Low72.7Confident43 Ų4397.8 Ų97.820%0.20153%0.533CS..PPolyproline II helixtrans-56.6129.6-177.9-146.3169.5-14900109.6S123 A153 E159 R163S123-E155 WeakPolarHBondContact CB-OE2 3.42Å; S123-E155 PolarHBondContact OG-OE2 3.18Å; A153-E155 PolarHBondContact O-N 2.87Å; E155-E159 HydrophobicContact CG-CB 3.83Å; E155-E159 WeakPolarHBondContact CG-OE2 3.43Å; E155-R163 IonicContact OE1-CZ 3.86Å; E155-R163 IonicContact OE1-NE 2.79Å; E155-R163 IonicContact OE1-NH1 3.75Å; E155-R163 PolarHBondContact OE1-NH1 3.42Å; E155-R163 IonicContact OE1-NH2 3.01Å; E155-R163 PolarHBondContact OE1-NH2 3.33Å; E155-R163 IonicContact OE2-CZ 3.1Å; E155-R163 IonicContact OE2-NH1 3.48Å; E155-R163 PolarHBondContact OE2-NH1 2.73Å; E155-R163 IonicContact OE2-NH2 3.11Å
156A61.7Low71.4Confident38 Ų3895.7 Ų95.731%0.31453%0.53SS..PPolyproline II helixtrans-65.6147.4-17800000109.8P154 S158 E159 Q160P154-A156 PolarHBondContact O-N 2.89Å; A156-S158 PolarHBondContact O-N 3.11Å; A156-E159 HydrophobicContact CB-CG 4.38Å; A156-E159 PolarHBondContact N-OE2 2.85Å; A156-E159 WeakPolarHBondContact O-CB 3.45Å; A156-E159 PolarHBondContact O-N 3.49Å; A156-Q160 PolarHBondContact O-N 3.16Å
157P63.4Low70.1Confident110 Ų11099.4 Ų99.471%0.71455%0.546SS*.Hα-helixtrans-53.3-30.5178.3-27.334.1000113.6E159 Q160 A161P157-E159 VanDerWaalsContact C-N 3.34Å; P157-E159 PolarHBondContact O-N 3.26Å; P157-Q160 PolarHBondContact O-N 2.97Å; P157-A161 PolarHBondContact O-N 3.09Å
158S57.7Low68.6Low80 Ų8093.4 Ų93.456%0.55953%0.527SS*.Hα-helixtrans-67-29.3175.252.10000114.3A156A156-S158 PolarHBondContact O-N 3.11Å
159E60.2Low67Low101 Ų10193.7 Ų93.747%0.47253%0.53SS..Hα-helixtrans-81.7-33.1178.7-67.5-177.5139.600111.4E155 A156 P157 R162E155-E159 HydrophobicContact CG-CB 3.83Å; E155-E159 WeakPolarHBondContact CG-OE2 3.43Å; A156-E159 HydrophobicContact CB-CG 4.38Å; A156-E159 PolarHBondContact N-OE2 2.85Å; A156-E159 WeakPolarHBondContact O-CB 3.45Å; A156-E159 PolarHBondContact O-N 3.49Å; P157-E159 VanDerWaalsContact C-N 3.34Å; P157-E159 PolarHBondContact O-N 3.26Å; E159-R162 PolarHBondContact O-N 2.87Å
160Q60.1Low65.4Low101 Ų10193.1 Ų93.147%0.47253%0.531SS..Hα-helixtrans-63-42.1169.7-73.4179.2-10.500111.7A156 P157 R162 R163A156-Q160 PolarHBondContact O-N 3.16Å; P157-Q160 PolarHBondContact O-N 2.97Å; Q160-R162 PolarHBondContact O-N 3.4Å; Q160-R163 PolarHBondContact O-N 2.93Å
161A56.1Low63.7Low68 Ų6894.4 Ų94.456%0.56253%0.525SS*.G310 helixtrans-64.3-22.7179.800000114.2P157 R163P157-A161 PolarHBondContact O-N 3.09Å; A161-R163 VanDerWaalsContact C-N 3.25Å; A161-R163 PolarHBondContact O-N 3.17Å
162R54.8Low61.9Low222 Ų22294.2 Ų94.284%0.83853%0.527SS*.G310 helixtrans-78.3-5177.6-78.7179.9165178.7-3.5114.2E159 Q160E159-R162 PolarHBondContact O-N 2.87Å; Q160-R162 PolarHBondContact O-N 3.4Å
163R58Low59.7Low111 Ų111101.6 Ų101.642%0.41957%0.567SS.*G310 helixtrans-101.1-2.8-178.1-66.9-176.8177.41756.1113.8D88 E155 Q160 A161D88-R163 IonicContact OD2-NH1 2.69Å; E155-R163 IonicContact OE1-CZ 3.86Å; E155-R163 IonicContact OE1-NE 2.79Å; E155-R163 IonicContact OE1-NH1 3.75Å; E155-R163 PolarHBondContact OE1-NH1 3.42Å; E155-R163 IonicContact OE1-NH2 3.01Å; E155-R163 PolarHBondContact OE1-NH2 3.33Å; E155-R163 IonicContact OE2-CZ 3.1Å; E155-R163 IonicContact OE2-NH1 3.48Å; E155-R163 PolarHBondContact OE2-NH1 2.73Å; E155-R163 IonicContact OE2-NH2 3.11Å; Q160-R163 PolarHBondContact O-N 2.93Å; A161-R163 VanDerWaalsContact C-N 3.25Å; A161-R163 PolarHBondContact O-N 3.17Å
164V44.6Very low58.7Low190 Ų190105.7 Ų105.7100%1.15258%0.577SS**  trans-95.90175.2-167.40000110

Retrieved 164 of 164 residues in 54.8 ms (Link to these results)

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