A0A077Z4K7_TRITR Loading...

Tudor domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z4K7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 419 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
1M94.1Very high87.8Confident57 Ų5777.5 Ų77.528%0.28141%0.405SS..  0-172.90-82.2168.724.600112.8K16 R18 A33 I51 V52 D54M1-K16 HydrophobicContact CE-CB 3.55Å; M1-K16 HydrophobicContact CE-CD 3.95Å; M1-K16 HydrophobicContact CE-CG 3.92Å; M1-R18 HydrophobicContact CG-CG 4.05Å; M1-A33 HydrophobicContact CE-CB 4.28Å; M1-I51 WeakPolarHBondContact O-CG2 3.43Å; M1-V52 CarbonylContact C-O 3.55Å; M1-V52 PolarHBondContact N-O 3.47Å; M1-V52 PolarHBondContact O-N 3Å; M1-V52 VanDerWaalsContact O-O 3.07Å; M1-D54 WeakPolarHBondContact CB-OD1 3.44Å; M1-D54 WeakPolarHBondContact CG-OD1 3.49Å; M1-D54 VanDerWaalsContact N-CG 3.31Å; M1-D54 PolarHBondContact N-OD1 3.13Å; M1-D54 PolarHBondContact N-OD2 3.46Å
2V97.2Very high87.3Confident18 Ų1884.1 Ų84.111%0.10943%0.428CS..EExtended strand (participates in β ladder)trans-128.1156.7171.8-660000112.2V4 A17 V19 V48 G50 I51V2-V4 HydrophobicContact CG2-CG2 3.95Å; V2-A17 HydrophobicContact CG2-CB 4.26Å; V2-A17 WeakPolarHBondContact CG2-O 3.41Å; V2-A17 PolarHBondContact N-O 3.32Å; V2-A17 PolarHBondContact O-N 2.84Å; V2-V19 HydrophobicContact CG1-CG2 4.25Å; V2-V19 HydrophobicContact CG2-CG2 3.92Å; V2-V48 HydrophobicContact CB-CG1 4.16Å; V2-V48 HydrophobicContact CG1-CG1 4.36Å; V2-G50 WeakPolarHBondContact CA-O 3.41Å; V2-I51 HydrophobicContact CG1-CG1 4.39Å
3L97Very high87.8Confident53 Ų5383.9 Ų83.928%0.27743%0.429SS..EExtended strand (participates in β ladder)trans-97.2128.1166.7-81.5163.5000110.7A14 K16 V48 L49 G50 V52L3-A14 HydrophobicContact CD2-CB 4.22Å; L3-K16 HydrophobicContact CD2-CG 4.26Å; L3-V48 CarbonylContact O-C 3.5Å; L3-V48 WeakPolarHBondContact O-CA 3.34Å; L3-L49 HydrophobicContact CB-CB 4.25Å; L3-L49 PolarHBondContact O-N 2.86Å; L3-G50 PolarHBondContact N-O 2.95Å; L3-V52 HydrophobicContact CB-CG2 4.42Å; L3-V52 HydrophobicContact CD1-CG2 3.44Å; L3-V52 VanDerWaalsContact CD1-CG2 3.44Å; L3-V52 HydrophobicContact CG-CG2 3.48Å; L3-V52 VanDerWaalsContact CG-CG2 3.48Å
4V97.1Very high88.4Confident0 Ų081.5 Ų81.50%043%0.428CS..EExtended strand (participates in β ladder)trans-124.8127.3179-177.60000109.8V2 Y6 Y15 A17 V30 Y32 V43 R47 V48V2-V4 HydrophobicContact CG2-CG2 3.95Å; V4-Y6 PolarHBondContact O-N 3.17Å; V4-Y15 PolarHBondContact N-O 3.45Å; V4-Y15 PolarHBondContact O-N 3.46Å; V4-A17 HydrophobicContact CB-CB 4.38Å; V4-A17 HydrophobicContact CG2-CB 3.88Å; V4-V30 HydrophobicContact CG1-CG2 4.37Å; V4-V30 HydrophobicContact CG2-CB 4.48Å; V4-V30 HydrophobicContact CG2-CG1 4.15Å; V4-Y32 HydrophobicContact CB-CE1 3.93Å; V4-Y32 HydrophobicContact CG1-CE1 4.08Å; V4-Y32 WeakPolarHBondContact CG1-OH 3.4Å; V4-V43 HydrophobicContact CG1-CG1 4.23Å; V4-V43 HydrophobicContact CG1-CG2 4.19Å; V4-R47 CarbonylContact C-O 3.5Å; V4-R47 WeakPolarHBondContact CA-O 3.4Å; V4-R47 HydrophobicContact CG1-CB 4.29Å; V4-V48 HydrophobicContact CG2-CG2 4.37Å
5Q96.5Very high88.9Confident33 Ų3381.1 Ų81.115%0.15442%0.419CS..EExtended strand (participates in β ladder)trans-68.9123.3173.2-166.5-163.8-43.700109.6K12 R47 L49Q5-K12 HydrophobicContact CG-CB 4.23Å; Q5-R47 PolarHBondContact N-O 2.6Å; Q5-R47 VanDerWaalsContact O-CZ 3.24Å; Q5-R47 PolarHBondContact O-NE 2.99Å; Q5-R47 PolarHBondContact O-NH2 2.85Å; Q5-L49 HydrophobicContact CB-CD1 4.4Å
6Y94.6Very high89.4Confident76 Ų7680.9 Ų80.930%0.29841%0.414SS..EExtended strand (participates in β ladder)trans-107.1152.3174.7-172.1-104.3000111.4V4 D13 Y15 Y32 W35 E41V4-Y6 PolarHBondContact O-N 3.17Å; Y6-D13 PolarHBondContact N-O 3Å; Y6-Y15 VanDerWaalsContact CB-CD2 3.42Å; Y6-Y15 HydrophobicContact CD1-CE2 4.27Å; Y6-Y15 HydrophobicContact CG-CD2 4.39Å; Y6-Y15 HydrophobicContact CG-CE2 4.36Å; Y6-Y32 HydrophobicContact CD2-CE1 4.41Å; Y6-Y32 AromaticContact CD2-CE2 3.78Å; Y6-Y32 HydrophobicContact CD2-CE2 3.78Å; Y6-Y32 AromaticContact CD2-CZ 3.66Å; Y6-Y32 HydrophobicContact CE2-CE2 4.09Å; Y6-W35 AromaticContact CD1-CH2 3.88Å; Y6-W35 HydrophobicContact CD1-CH2 3.88Å; Y6-W35 HydrophobicContact CD1-CZ3 4.34Å; Y6-W35 AromaticContact CE1-CH2 3.65Å; Y6-W35 HydrophobicContact CE1-CH2 3.65Å; Y6-W35 AromaticContact CE1-CZ3 3.79Å; Y6-W35 HydrophobicContact CE1-CZ3 3.79Å; Y6-W35 HydrophobicContact CE2-CZ3 4.25Å; Y6-W35 HydrophobicContact CG-CH2 4.5Å; Y6-W35 AromaticContact CZ-CZ3 3.74Å; Y6-E41 VanDerWaalsContact CD2-OE1 3.31Å; Y6-E41 WeakPolarHBondContact CD2-OE1 3.22Å
7G87Confident89.9Confident48 Ų4876.1 Ų76.150%0.49539%0.389SS..SBendtrans87.2-171.5175.800000115.9
8S76.4Confident90.3Very high80 Ų8080.4 Ų80.456%0.55940%0.4SS*.  trans-85164.6-173.776.30000112.7S10 R11S8-S10 PolarHBondContact O-N 3.32Å; S8-S10 PolarHBondContact OG-OG 2.79Å; S8-R11 PolarHBondContact O-N 3.43Å; S8-R11 VanDerWaalsContact O-O 3.12Å
9K76.1Confident90.8Very high199 Ų19979.4 Ų79.487%0.86540%0.398SS*.THydrogen-bonded Turntrans-51.9-20.6-174.1-64.4-175.7179.3-177.80115.9
10S76.7Confident91.1Very high102 Ų10279.6 Ų79.671%0.71340%0.4SS*.THydrogen-bonded Turntrans-87.1-15.3-177.956.30000115.2S8S8-S10 PolarHBondContact O-N 3.32Å; S8-S10 PolarHBondContact OG-OG 2.79Å
11R73.2Confident91.5Very high187 Ų18780.7 Ų80.771%0.70640%0.404SS*.  trans-135.8105.2175.2-66.1-169.7-178.8-165.4-0.5108.8S8 D13S8-R11 PolarHBondContact O-N 3.43Å; S8-R11 VanDerWaalsContact O-O 3.12Å; R11-D13 PolarHBondContact O-N 2.96Å
12K82.1Confident91.6Very high156 Ų15683.8 Ų83.868%0.67842%0.421SS*.  trans-9664.1-177-59.1-161.6-178.5-177.30110.3Q5Q5-K12 HydrophobicContact CG-CB 4.23Å
13D94.1Very high91.6Very high82 Ų8285.6 Ų85.644%0.43943%0.428SS..EExtended strand (participates in β ladder)trans-80.8126.7175.3-60.4-40.4000108.4Y6 R11 Y15Y6-D13 PolarHBondContact N-O 3Å; R11-D13 PolarHBondContact O-N 2.96Å; D13-Y15 HydrophobicContact CB-CD2 4.41Å; D13-Y15 HydrophobicContact CB-CE2 3.51Å; D13-Y15 WeakPolarHBondContact O-CD2 3.49Å
14A95.3Very high91.5Very high50 Ų5088.2 Ų88.241%0.41345%0.448SS..EExtended strand (participates in β ladder)trans-100.5125.6-178.800000109.8L3 L49L3-A14 HydrophobicContact CD2-CB 4.22Å; A14-L49 HydrophobicContact CB-CD1 3.67Å
15Y96.9Very high91.5Very high75 Ų7597.6 Ų97.629%0.29449%0.489SS..EExtended strand (participates in β ladder)trans-115.4139.3-176-66.3-92.3000110.9V4 Y6 D13 A17 Y32 W35V4-Y15 PolarHBondContact N-O 3.45Å; V4-Y15 PolarHBondContact O-N 3.46Å; Y6-Y15 VanDerWaalsContact CB-CD2 3.42Å; Y6-Y15 HydrophobicContact CD1-CE2 4.27Å; Y6-Y15 HydrophobicContact CG-CD2 4.39Å; Y6-Y15 HydrophobicContact CG-CE2 4.36Å; D13-Y15 HydrophobicContact CB-CD2 4.41Å; D13-Y15 HydrophobicContact CB-CE2 3.51Å; D13-Y15 WeakPolarHBondContact O-CD2 3.49Å; Y15-A17 PolarHBondContact O-N 3.27Å; Y15-Y32 HydrophobicContact CG-CD1 4.46Å; Y15-W35 AromaticContact CD1-CZ2 3.99Å; Y15-W35 HydrophobicContact CD1-CZ2 3.99Å; Y15-W35 AromaticContact CE1-CZ2 3.7Å; Y15-W35 HydrophobicContact CE1-CZ2 3.7Å
16K96.7Very high91.5Very high78 Ų78104.9 Ų104.934%0.33952%0.515SS..EExtended strand (participates in β ladder)trans-62.6127.5169.2-82.7179.5179.8176.90109.1M1 L3 A33 V57M1-K16 HydrophobicContact CE-CB 3.55Å; M1-K16 HydrophobicContact CE-CD 3.95Å; M1-K16 HydrophobicContact CE-CG 3.92Å; L3-K16 HydrophobicContact CD2-CG 4.26Å; K16-A33 HydrophobicContact CB-CB 4.17Å; K16-A33 WeakPolarHBondContact O-CB 3.39Å; K16-A33 PolarHBondContact O-N 3.48Å; K16-V57 HydrophobicContact CD-CG2 4.44Å
17A97.7Very high91.6Very high0 Ų0106.8 Ų106.80%052%0.522CS..EExtended strand (participates in β ladder)trans-142.4161.6-178.600000112.1V2 V4 Y15 V30 H31 Y32V2-A17 HydrophobicContact CG2-CB 4.26Å; V2-A17 WeakPolarHBondContact CG2-O 3.41Å; V2-A17 PolarHBondContact N-O 3.32Å; V2-A17 PolarHBondContact O-N 2.84Å; V4-A17 HydrophobicContact CB-CB 4.38Å; V4-A17 HydrophobicContact CG2-CB 3.88Å; Y15-A17 PolarHBondContact O-N 3.27Å; A17-V30 HydrophobicContact CB-CB 4.37Å; A17-H31 CarbonylContact C-O 3.47Å; A17-H31 WeakPolarHBondContact CA-O 3.44Å; A17-H31 WeakPolarHBondContact CB-O 3.27Å; A17-Y32 HydrophobicContact CB-CD1 3.99Å; A17-Y32 HydrophobicContact CB-CE1 4.35Å
18R97.8Very high92.2Very high153 Ų153104.7 Ų104.758%0.57750%0.499SS*.EExtended strand (participates in β ladder)trans-108.2135.3168.8-73.8176.154.5-178.6-4.4109.2M1 V30 H31M1-R18 HydrophobicContact CG-CG 4.05Å; R18-V30 WeakPolarHBondContact O-CA 3.5Å; R18-H31 PolarHBondContact N-O 3.13Å; R18-H31 PolarHBondContact O-N 3.24Å
19V98Very high93.2Very high61 Ų61102.8 Ų102.837%0.3748%0.482SS..EExtended strand (participates in β ladder)trans-75.4125.8167.41790000108V2 I22 C28 V30V2-V19 HydrophobicContact CG1-CG2 4.25Å; V2-V19 HydrophobicContact CG2-CG2 3.92Å; V19-I22 HydrophobicContact CG1-CG1 4.11Å; V19-C28 HydrophobicContact CG1-CB 4.01Å; V19-V30 HydrophobicContact CG2-CG1 4.39Å
20L98.1Very high94.3Very high83 Ų8393.3 Ų93.344%0.43544%0.441SS..EExtended strand (participates in β ladder)trans-96.6-39.4176.4-62.8-172.5000112.1L29 H31L20-L29 HydrophobicContact CB-CB 4.44Å; L20-L29 HydrophobicContact CB-CD2 4.04Å; L20-L29 HydrophobicContact CB-CG 4.1Å; L20-L29 HydrophobicContact CD1-CD2 4.18Å; L20-L29 HydrophobicContact CD1-CG 4.3Å; L20-L29 PolarHBondContact N-O 2.73Å; L20-H31 HydrophobicContact CD1-CB 3.88Å; L20-H31 HydrophobicContact CD2-CB 4.03Å; L20-H31 HydrophobicContact CG-CB 3.87Å
21Q98.4Very high95.3Very high103 Ų10390.5 Ų90.548%0.48142%0.417SS..EExtended strand (participates in β ladder)trans-150.1140.1-178.1-174175.68.700110.2C28 L29Q21-C28 CarbonylContact O-C 3.58Å; Q21-C28 VanDerWaalsContact O-CA 3.27Å; Q21-C28 WeakPolarHBondContact O-CA 3.17Å; Q21-L29 HydrophobicContact CB-CB 4.03Å; Q21-L29 HydrophobicContact CB-CD2 4.39Å; Q21-L29 PolarHBondContact O-N 3.47Å
22I97.9Very high96.5Very high123 Ų12381.7 Ų81.763%0.63138%0.384SS*.EExtended strand (participates in β ladder)trans-96.4131.7169.2-59.1175000108V19 F45V19-I22 HydrophobicContact CG1-CG1 4.11Å; I22-F45 HydrophobicContact CG2-CE1 4.49Å; I22-F45 HydrophobicContact CG2-CZ 4.1Å
23H97.1Very high97.2Very high55 Ų5576.6 Ų76.626%0.25537%0.371SS..EExtended strand (participates in β ladder)trans-108.8153.3177.4-69.4-76.8000110.8R27H23-R27 HydrophobicContact CB-CB 4.28Å; H23-R27 PolarHBondContact N-O 3.5Å
24P94.6Very high97.3Very high109 Ų10976.8 Ų76.871%0.70839%0.392SS*.THydrogen-bonded Turntrans-56.7159.4166.626.5-35.2000111.1
25K96.4Very high97.4Very high197 Ų19778.1 Ų78.186%0.85739%0.386SS*.THydrogen-bonded Turntrans69.635.2-176-45.5179.7-179.6-176.40114.6R27K25-R27 PolarHBondContact O-N 3.46Å
26R96.3Very high97.5Very high186 Ų18677.4 Ų77.470%0.70239%0.392SS*.THydrogen-bonded Turntrans55.148.5173.7-55.4-18071.5178.33.9113.2F45R26-F45 HydrophobicContact CB-CB 4.47Å; R26-F45 HydrophobicContact CB-CD2 4.23Å; R26-F45 HydrophobicContact CB-CG 4.17Å; R26-F45 VanDerWaalsContact O-CD1 3.22Å; R26-F45 WeakPolarHBondContact O-CD1 3.11Å; R26-F45 PolarHBondContact O-N 3.17Å
27R98Very high97.6Very high116 Ų11677.6 Ų77.644%0.43840%0.404SS..EExtended strand (participates in β ladder)trans-127.1151.9176.2-63.3-178.472.6-173.6-0.2110.8H23 K25 V42 V43H23-R27 HydrophobicContact CB-CB 4.28Å; H23-R27 PolarHBondContact N-O 3.5Å; K25-R27 PolarHBondContact O-N 3.46Å; R27-V42 HydrophobicContact CB-CG1 3.9Å; R27-V42 PolarHBondContact NH2-O 2.58Å; R27-V43 CarbonylContact C-O 3.51Å; R27-V43 WeakPolarHBondContact CA-O 3.35Å; R27-V43 WeakPolarHBondContact CB-O 3.28Å
28C97.9Very high97.6Very high4 Ų488.5 Ų88.53%0.02745%0.445CS..EExtended strand (participates in β ladder)trans-136.9142.8174.849.60000110.9V19 Q21 V30 V42 V43 F45V19-C28 HydrophobicContact CG1-CB 4.01Å; Q21-C28 CarbonylContact O-C 3.58Å; Q21-C28 VanDerWaalsContact O-CA 3.27Å; Q21-C28 WeakPolarHBondContact O-CA 3.17Å; C28-V30 HydrophobicContact CB-CG1 4.5Å; C28-V42 CarbonylContact O-C 3.59Å; C28-V42 WeakPolarHBondContact O-CA 3.21Å; C28-V43 PolarHBondContact N-O 3.3Å; C28-V43 PolarHBondContact O-N 3.36Å; C28-F45 HydrophobicContact CB-CE1 4Å
29L98.2Very high97.6Very high39 Ų3987.3 Ų87.320%0.20444%0.441CS..EExtended strand (participates in β ladder)trans-77.3123.8166.1179.564000108L20 Q21 D40 E41 V42L20-L29 HydrophobicContact CB-CB 4.44Å; L20-L29 HydrophobicContact CB-CD2 4.04Å; L20-L29 HydrophobicContact CB-CG 4.1Å; L20-L29 HydrophobicContact CD1-CD2 4.18Å; L20-L29 HydrophobicContact CD1-CG 4.3Å; L20-L29 PolarHBondContact N-O 2.73Å; Q21-L29 HydrophobicContact CB-CB 4.03Å; Q21-L29 HydrophobicContact CB-CD2 4.39Å; Q21-L29 PolarHBondContact O-N 3.47Å; L29-D40 HydrophobicContact CD1-CB 4.23Å; L29-E41 WeakPolarHBondContact CA-O 3.38Å; L29-V42 HydrophobicContact CB-CG2 4.28Å; L29-V42 HydrophobicContact CD1-CG2 3.86Å
30V98.3Very high97.6Very high0 Ų086.6 Ų86.60%044%0.435CS..EExtended strand (participates in β ladder)trans-121.6141.9-178.4-620000111.5V4 A17 R18 V19 C28 Y32 D40 E41 V43V4-V30 HydrophobicContact CG1-CG2 4.37Å; V4-V30 HydrophobicContact CG2-CB 4.48Å; V4-V30 HydrophobicContact CG2-CG1 4.15Å; A17-V30 HydrophobicContact CB-CB 4.37Å; R18-V30 WeakPolarHBondContact O-CA 3.5Å; V19-V30 HydrophobicContact CG2-CG1 4.39Å; C28-V30 HydrophobicContact CB-CG1 4.5Å; V30-Y32 HydrophobicContact CG2-CE2 4.3Å; V30-D40 WeakPolarHBondContact O-CA 3.49Å; V30-E41 HydrophobicContact CG2-CG 4.28Å; V30-E41 PolarHBondContact N-O 3.07Å; V30-E41 PolarHBondContact O-N 2.92Å; V30-V43 HydrophobicContact CG1-CG2 3.84Å; V30-V43 HydrophobicContact CG2-CG1 3.8Å; V30-V43 HydrophobicContact CG2-CG2 3.93Å
31H98.4Very high97.5Very high44 Ų4485 Ų8520%0.20443%0.426CS..EExtended strand (participates in β ladder)trans-112.5119.6174.3174.469.6000109.5A17 R18 L20 W35 D40A17-H31 CarbonylContact C-O 3.47Å; A17-H31 WeakPolarHBondContact CA-O 3.44Å; A17-H31 WeakPolarHBondContact CB-O 3.27Å; R18-H31 PolarHBondContact N-O 3.13Å; R18-H31 PolarHBondContact O-N 3.24Å; L20-H31 HydrophobicContact CD1-CB 3.88Å; L20-H31 HydrophobicContact CD2-CB 4.03Å; L20-H31 HydrophobicContact CG-CB 3.87Å; H31-W35 PolarHBondContact CE1-O 3.34Å; H31-W35 VanDerWaalsContact CE1-O 3.31Å; H31-D40 WeakPolarHBondContact CA-OD1 3.44Å; H31-D40 IonicContact CE1-OD1 3.42Å; H31-D40 IonicContact CG-OD1 3.31Å; H31-D40 IonicContact ND1-OD1 2.69Å; H31-D40 PolarHBondContact ND1-OD1 3.11Å; H31-D40 IonicContact ND1-OD2 3.48Å
32Y97.9Very high97.5Very high1 Ų182.4 Ų82.40%0.00442%0.416CS..EExtended strand (participates in β ladder)trans-77.1131.3-178.5-66-76.5000111.5V4 Y6 Y15 A17 V30 G34 W35 E41 R47V4-Y32 HydrophobicContact CB-CE1 3.93Å; V4-Y32 HydrophobicContact CG1-CE1 4.08Å; V4-Y32 WeakPolarHBondContact CG1-OH 3.4Å; Y6-Y32 HydrophobicContact CD2-CE1 4.41Å; Y6-Y32 AromaticContact CD2-CE2 3.78Å; Y6-Y32 HydrophobicContact CD2-CE2 3.78Å; Y6-Y32 AromaticContact CD2-CZ 3.66Å; Y6-Y32 HydrophobicContact CE2-CE2 4.09Å; Y15-Y32 HydrophobicContact CG-CD1 4.46Å; A17-Y32 HydrophobicContact CB-CD1 3.99Å; A17-Y32 HydrophobicContact CB-CE1 4.35Å; V30-Y32 HydrophobicContact CG2-CE2 4.3Å; Y32-G34 PolarHBondContact O-N 3.03Å; Y32-W35 HydrophobicContact CD2-CE3 4.49Å; Y32-W35 WeakPolarHBondContact O-CB 3.49Å; Y32-W35 PolarHBondContact O-N 2.98Å; Y32-E41 HydrophobicContact CE2-CG 3.96Å; Y32-E41 WeakPolarHBondContact CE2-OE1 3.37Å; Y32-E41 PolarHBondContact OH-OE1 2.95Å; Y32-R47 PolarHBondContact OH-NH2 2.93Å; Y32-R47 VanDerWaalsContact OH-NH2 3.07Å
33A96.7Very high97.5Very high49 Ų4976.5 Ų76.541%0.40539%0.386SS..THydrogen-bonded Turntrans-62.3125.7-176.600000111M1 K16 W35M1-A33 HydrophobicContact CE-CB 4.28Å; K16-A33 HydrophobicContact CB-CB 4.17Å; K16-A33 WeakPolarHBondContact O-CB 3.39Å; K16-A33 PolarHBondContact O-N 3.48Å; A33-W35 VanDerWaalsContact C-N 3.29Å; A33-W35 PolarHBondContact O-N 3.41Å
34G97.3Very high97.5Very high86 Ų8676.3 Ų76.389%0.88739%0.39SS*.THydrogen-bonded Turntrans79.22-177.600000115.3Y32Y32-G34 PolarHBondContact O-N 3.03Å
35W97.9Very high97.6Very high79 Ų7974.9 Ų74.930%0.29937%0.373SS..SBendtrans-99156.7178.3-67.639000110.5Y6 Y15 H31 Y32 A33 Y39Y6-W35 AromaticContact CD1-CH2 3.88Å; Y6-W35 HydrophobicContact CD1-CH2 3.88Å; Y6-W35 HydrophobicContact CD1-CZ3 4.34Å; Y6-W35 AromaticContact CE1-CH2 3.65Å; Y6-W35 HydrophobicContact CE1-CH2 3.65Å; Y6-W35 AromaticContact CE1-CZ3 3.79Å; Y6-W35 HydrophobicContact CE1-CZ3 3.79Å; Y6-W35 HydrophobicContact CE2-CZ3 4.25Å; Y6-W35 HydrophobicContact CG-CH2 4.5Å; Y6-W35 AromaticContact CZ-CZ3 3.74Å; Y15-W35 AromaticContact CD1-CZ2 3.99Å; Y15-W35 HydrophobicContact CD1-CZ2 3.99Å; Y15-W35 AromaticContact CE1-CZ2 3.7Å; Y15-W35 HydrophobicContact CE1-CZ2 3.7Å; H31-W35 PolarHBondContact CE1-O 3.34Å; H31-W35 VanDerWaalsContact CE1-O 3.31Å; Y32-W35 HydrophobicContact CD2-CE3 4.49Å; Y32-W35 WeakPolarHBondContact O-CB 3.49Å; Y32-W35 PolarHBondContact O-N 2.98Å; A33-W35 VanDerWaalsContact C-N 3.29Å; A33-W35 PolarHBondContact O-N 3.41Å; W35-Y39 HydrophobicContact CB-CD2 4.39Å; W35-Y39 HydrophobicContact CE3-CD1 4.27Å; W35-Y39 HydrophobicContact CE3-CD2 4.17Å; W35-Y39 AromaticContact CE3-CG 3.84Å; W35-Y39 HydrophobicContact CE3-CG 3.84Å; W35-Y39 HydrophobicContact CZ3-CD1 4.44Å; W35-Y39 HydrophobicContact CZ3-CG 4.45Å
36S98.3Very high97.6Very high60 Ų6070.6 Ų70.642%0.4237%0.367SS..  trans-66.4143.7172.5-177.20000110.5R38 Y39S36-R38 PolarHBondContact O-N 3.26Å; S36-Y39 WeakPolarHBondContact O-CB 3.41Å; S36-Y39 WeakPolarHBondContact O-CD2 3.4Å; S36-Y39 PolarHBondContact O-N 3.23Å
37S98Very high97.6Very high82 Ų8264.2 Ų64.257%0.57334%0.343SS*.G310 helixtrans-58.9-10.6174.354.50000114.7Y39 D40S37-Y39 PolarHBondContact O-N 3.34Å; S37-D40 WeakPolarHBondContact CA-OD1 3.48Å; S37-D40 WeakPolarHBondContact CA-OD2 3.36Å; S37-D40 WeakPolarHBondContact CB-OD2 3.34Å; S37-D40 WeakPolarHBondContact O-CB 3.19Å; S37-D40 PolarHBondContact O-N 2.76Å
38R98.1Very high97.5Very high229 Ų22960.6 Ų60.686%0.86433%0.334SS*.G310 helixtrans-65.9-14.3167.7-63.4-175.2179.4-160.80.8114S36S36-R38 PolarHBondContact O-N 3.26Å
39Y97.2Very high97.4Very high128 Ų12865.3 Ų65.350%0.50236%0.358SS..G310 helixtrans-101.27.4176.1-61-75.9000113W35 S36 S37 E41W35-Y39 HydrophobicContact CB-CD2 4.39Å; W35-Y39 HydrophobicContact CE3-CD1 4.27Å; W35-Y39 HydrophobicContact CE3-CD2 4.17Å; W35-Y39 AromaticContact CE3-CG 3.84Å; W35-Y39 HydrophobicContact CE3-CG 3.84Å; W35-Y39 HydrophobicContact CZ3-CD1 4.44Å; W35-Y39 HydrophobicContact CZ3-CG 4.45Å; S36-Y39 WeakPolarHBondContact O-CB 3.41Å; S36-Y39 WeakPolarHBondContact O-CD2 3.4Å; S36-Y39 PolarHBondContact O-N 3.23Å; S37-Y39 PolarHBondContact O-N 3.34Å; Y39-E41 PolarHBondContact O-N 3.06Å
40D98.1Very high97.3Very high45 Ų4564.9 Ų64.924%0.24136%0.363CS..  trans-67.2130.4175.3-62.2-7.3000109.4L29 V30 H31 S37L29-D40 HydrophobicContact CD1-CB 4.23Å; V30-D40 WeakPolarHBondContact O-CA 3.49Å; H31-D40 WeakPolarHBondContact CA-OD1 3.44Å; H31-D40 IonicContact CE1-OD1 3.42Å; H31-D40 IonicContact CG-OD1 3.31Å; H31-D40 IonicContact ND1-OD1 2.69Å; H31-D40 PolarHBondContact ND1-OD1 3.11Å; H31-D40 IonicContact ND1-OD2 3.48Å; S37-D40 WeakPolarHBondContact CA-OD1 3.48Å; S37-D40 WeakPolarHBondContact CA-OD2 3.36Å; S37-D40 WeakPolarHBondContact CB-OD2 3.34Å; S37-D40 WeakPolarHBondContact O-CB 3.19Å; S37-D40 PolarHBondContact O-N 2.76Å
41E97.7Very high97.2Very high51 Ų5172 Ų7224%0.23840%0.4CS..EExtended strand (participates in β ladder)trans-139.4154.2-175.858.8163.7158.500112.6Y6 L29 V30 Y32 Y39 V43 R47Y6-E41 VanDerWaalsContact CD2-OE1 3.31Å; Y6-E41 WeakPolarHBondContact CD2-OE1 3.22Å; L29-E41 WeakPolarHBondContact CA-O 3.38Å; V30-E41 HydrophobicContact CG2-CG 4.28Å; V30-E41 PolarHBondContact N-O 3.07Å; V30-E41 PolarHBondContact O-N 2.92Å; Y32-E41 HydrophobicContact CE2-CG 3.96Å; Y32-E41 WeakPolarHBondContact CE2-OE1 3.37Å; Y32-E41 PolarHBondContact OH-OE1 2.95Å; Y39-E41 PolarHBondContact O-N 3.06Å; E41-V43 HydrophobicContact CG-CG1 3.79Å; E41-V43 PolarHBondContact O-N 2.9Å; E41-R47 IonicContact OE1-CZ 3.63Å; E41-R47 IonicContact OE1-NH1 2.75Å; E41-R47 PolarHBondContact OE1-NH1 3.48Å; E41-R47 IonicContact OE1-NH2 3.65Å; E41-R47 PolarHBondContact OE1-NH2 3Å; E41-R47 IonicContact OE2-CZ 3.5Å; E41-R47 IonicContact OE2-NH1 3.6Å; E41-R47 PolarHBondContact OE2-NH1 3.12Å; E41-R47 IonicContact OE2-NH2 3.58Å
42V97.7Very high96.9Very high47 Ų4770.8 Ų70.829%0.28540%0.395SS..EExtended strand (participates in β ladder)trans-92.797.9178.1-1760000109.9R27 C28 L29R27-V42 HydrophobicContact CB-CG1 3.9Å; R27-V42 PolarHBondContact NH2-O 2.58Å; C28-V42 CarbonylContact O-C 3.59Å; C28-V42 WeakPolarHBondContact O-CA 3.21Å; L29-V42 HydrophobicContact CB-CG2 4.28Å; L29-V42 HydrophobicContact CD1-CG2 3.86Å
43V97.2Very high96.5Very high0 Ų077.6 Ų77.60%043%0.427CS..EExtended strand (participates in β ladder)trans-91.7148.1-178-56.20000112V4 R27 C28 V30 E41 R47 V48V4-V43 HydrophobicContact CG1-CG1 4.23Å; V4-V43 HydrophobicContact CG1-CG2 4.19Å; R27-V43 CarbonylContact C-O 3.51Å; R27-V43 WeakPolarHBondContact CA-O 3.35Å; R27-V43 WeakPolarHBondContact CB-O 3.28Å; C28-V43 PolarHBondContact N-O 3.3Å; C28-V43 PolarHBondContact O-N 3.36Å; V30-V43 HydrophobicContact CG1-CG2 3.84Å; V30-V43 HydrophobicContact CG2-CG1 3.8Å; V30-V43 HydrophobicContact CG2-CG2 3.93Å; E41-V43 HydrophobicContact CG-CG1 3.79Å; E41-V43 PolarHBondContact O-N 2.9Å; V43-R47 HydrophobicContact CB-CB 4.22Å; V43-V48 HydrophobicContact CG2-CG2 4.35Å
44P97.2Very high95.6Very high50 Ų5079.2 Ų79.233%0.32543%0.429SS..EExtended strand (participates in β ladder)trans-68.1151.7163.231.4-36.2000110.8S46 R47P44-S46 PolarHBondContact O-N 3.13Å; P44-R47 HydrophobicContact CG-CG 4.23Å; P44-R47 PolarHBondContact O-N 3.35Å
45F97Very high94.6Very high80 Ų8081.6 Ų81.635%0.35142%0.417SS..G310 helixtrans-56.9-25.7177.8-77.118000112.7I22 R26 C28 R47 V48I22-F45 HydrophobicContact CG2-CE1 4.49Å; I22-F45 HydrophobicContact CG2-CZ 4.1Å; R26-F45 HydrophobicContact CB-CB 4.47Å; R26-F45 HydrophobicContact CB-CD2 4.23Å; R26-F45 HydrophobicContact CB-CG 4.17Å; R26-F45 VanDerWaalsContact O-CD1 3.22Å; R26-F45 WeakPolarHBondContact O-CD1 3.11Å; R26-F45 PolarHBondContact O-N 3.17Å; C28-F45 HydrophobicContact CB-CE1 4Å; F45-R47 PolarHBondContact O-N 3.42Å; F45-R47 VanDerWaalsContact O-N 3.16Å; F45-V48 WeakPolarHBondContact O-CB 3.34Å; F45-V48 PolarHBondContact O-N 3.28Å
46S96.1Very high92.9Very high106 Ų10683 Ų8374%0.74143%0.43SS*.G310 helixtrans-66.1-8.8174.156.50000115.5P44P44-S46 PolarHBondContact O-N 3.13Å
47R96.2Very high91.1Very high52 Ų5282 Ų8220%0.19642%0.422CS..G310 helixtrans-93.7-11.5167.7-76179.162.9-165.2-9.5113V4 Q5 Y32 E41 V43 P44 F45V4-R47 CarbonylContact C-O 3.5Å; V4-R47 WeakPolarHBondContact CA-O 3.4Å; V4-R47 HydrophobicContact CG1-CB 4.29Å; Q5-R47 PolarHBondContact N-O 2.6Å; Q5-R47 VanDerWaalsContact O-CZ 3.24Å; Q5-R47 PolarHBondContact O-NE 2.99Å; Q5-R47 PolarHBondContact O-NH2 2.85Å; Y32-R47 PolarHBondContact OH-NH2 2.93Å; Y32-R47 VanDerWaalsContact OH-NH2 3.07Å; E41-R47 IonicContact OE1-CZ 3.63Å; E41-R47 IonicContact OE1-NH1 2.75Å; E41-R47 PolarHBondContact OE1-NH1 3.48Å; E41-R47 IonicContact OE1-NH2 3.65Å; E41-R47 PolarHBondContact OE1-NH2 3Å; E41-R47 IonicContact OE2-CZ 3.5Å; E41-R47 IonicContact OE2-NH1 3.6Å; E41-R47 PolarHBondContact OE2-NH1 3.12Å; E41-R47 IonicContact OE2-NH2 3.58Å; V43-R47 HydrophobicContact CB-CB 4.22Å; P44-R47 HydrophobicContact CG-CG 4.23Å; P44-R47 PolarHBondContact O-N 3.35Å; F45-R47 PolarHBondContact O-N 3.42Å; F45-R47 VanDerWaalsContact O-N 3.16Å
48V96.9Very high89.2Confident41 Ų4183.7 Ų83.725%0.24842%0.424CS..EExtended strand (participates in β ladder)trans-86116.7175.9-1720000107.6V2 L3 V4 V43 F45V2-V48 HydrophobicContact CB-CG1 4.16Å; V2-V48 HydrophobicContact CG1-CG1 4.36Å; L3-V48 CarbonylContact O-C 3.5Å; L3-V48 WeakPolarHBondContact O-CA 3.34Å; V4-V48 HydrophobicContact CG2-CG2 4.37Å; V43-V48 HydrophobicContact CG2-CG2 4.35Å; F45-V48 WeakPolarHBondContact O-CB 3.34Å; F45-V48 PolarHBondContact O-N 3.28Å
49L95.7Very high87.2Confident103 Ų10381.6 Ų81.654%0.53942%0.417SS..EExtended strand (participates in β ladder)trans-89.8-21.2-173.3-59.2179.7000113L3 Q5 A14L3-L49 HydrophobicContact CB-CB 4.25Å; L3-L49 PolarHBondContact O-N 2.86Å; Q5-L49 HydrophobicContact CB-CD1 4.4Å; A14-L49 HydrophobicContact CB-CD1 3.67Å
50G95.6Very high85.2Confident30 Ų3078.8 Ų78.831%0.30942%0.42SS..EExtended strand (participates in β ladder)trans166.5169.1179.900000112.3V2 L3V2-G50 WeakPolarHBondContact CA-O 3.41Å; L3-G50 PolarHBondContact N-O 2.95Å
51I95.6Very high83.2Confident148 Ų14883.3 Ų83.376%0.75944%0.444SS*.EExtended strand (participates in β ladder)trans-80.3139.2165.8-59.1175000107.1M1 V2M1-I51 WeakPolarHBondContact O-CG2 3.43Å; V2-I51 HydrophobicContact CG1-CG1 4.39Å
52V93.1Very high81.2Confident19 Ų1985.9 Ų85.912%0.11546%0.463CS..  trans-111.8122169.3168.20000107M1 L3M1-V52 CarbonylContact C-O 3.55Å; M1-V52 PolarHBondContact N-O 3.47Å; M1-V52 PolarHBondContact O-N 3Å; M1-V52 VanDerWaalsContact O-O 3.07Å; L3-V52 HydrophobicContact CB-CG2 4.42Å; L3-V52 HydrophobicContact CD1-CG2 3.44Å; L3-V52 VanDerWaalsContact CD1-CG2 3.44Å; L3-V52 HydrophobicContact CG-CG2 3.48Å; L3-V52 VanDerWaalsContact CG-CG2 3.48Å
53E89.3Confident79.1Confident144 Ų14488.7 Ų88.767%0.67348%0.48SS*.  trans-66.9134.1171.1-61.1-175.6165.100108.9E55 D56E53-E55 PolarHBondContact O-N 3.36Å; E53-D56 PolarHBondContact O-N 3.41Å
54D78.1Confident77Confident84 Ų8495.1 Ų95.145%0.44951%0.514SS..THydrogen-bonded Turntrans-72.1-13.6-171.1-63.6-37.2000112M1 D56 V57M1-D54 WeakPolarHBondContact CB-OD1 3.44Å; M1-D54 WeakPolarHBondContact CG-OD1 3.49Å; M1-D54 VanDerWaalsContact N-CG 3.31Å; M1-D54 PolarHBondContact N-OD1 3.13Å; M1-D54 PolarHBondContact N-OD2 3.46Å; D54-D56 VanDerWaalsContact C-N 3.32Å; D54-D56 PolarHBondContact O-N 2.84Å; D54-V57 WeakPolarHBondContact O-CB 3.31Å; D54-V57 PolarHBondContact O-N 2.81Å; D54-V57 VanDerWaalsContact O-N 3.16Å
55E76Confident75Confident136 Ų13697.3 Ų97.364%0.63654%0.537SS*.Hα-helixtrans-52.9-40.8170.2-69.8-69.6109.400113.4E53 V57 N58E53-E55 PolarHBondContact O-N 3.36Å; E55-V57 PolarHBondContact O-N 2.83Å; E55-N58 PolarHBondContact O-N 3.49Å
56D62.9Low73Confident107 Ų10797.9 Ų97.957%0.57255%0.551SS**Hα-helixtrans-70.7-19.1-178.6-88-19.9000113.1E53 D54E53-D56 PolarHBondContact O-N 3.41Å; D54-D56 VanDerWaalsContact C-N 3.32Å; D54-D56 PolarHBondContact O-N 2.84Å
57V58.6Low70.9Confident41 Ų4197 Ų9725%0.24855%0.545CS..Hα-helixtrans-75.4-39-179.8-164.50000110.7K16 D54 E55 R59K16-V57 HydrophobicContact CD-CG2 4.44Å; D54-V57 WeakPolarHBondContact O-CB 3.31Å; D54-V57 PolarHBondContact O-N 2.81Å; D54-V57 VanDerWaalsContact O-N 3.16Å; E55-V57 PolarHBondContact O-N 2.83Å; V57-R59 VanDerWaalsContact C-N 3.3Å; V57-R59 PolarHBondContact O-N 3.21Å
58N58.1Low68.9Low116 Ų116101.6 Ų101.662%0.6257%0.573SS**Hα-helixtrans-73.2-17.6-176.1-68.4-29.7000113.7E55E55-N58 PolarHBondContact O-N 3.49Å
59R56.7Low66.9Low186 Ų186110.9 Ų110.970%0.70260%0.604SS**THydrogen-bonded Turntrans-78.1-25.3177.7-88.8-170.7171.4117.71.7114.5V57V57-R59 VanDerWaalsContact C-N 3.3Å; V57-R59 PolarHBondContact O-N 3.21Å
60A56.3Low65Low68 Ų68115.9 Ų115.956%0.56262%0.621SS**THydrogen-bonded Turntrans-72.7-40.3-176.200000112.7V62A60-V62 VanDerWaalsContact C-N 3.29Å; A60-V62 PolarHBondContact O-N 3.28Å
61D54.6Low63.5Low141 Ų141120.5 Ų120.575%0.75464%0.643SS**THydrogen-bonded Turntrans-79.6-5.2-171.8-68.2-23.6000114.3
62V56.5Low61.6Low105 Ų105121.6 Ų121.664%0.63665%0.645SS**THydrogen-bonded Turntrans-89.4-12.7179.4-1780000112.6A60A60-V62 VanDerWaalsContact C-N 3.29Å; A60-V62 PolarHBondContact O-N 3.28Å
63V54.5Low59.8Low105 Ų105126.3 Ų126.364%0.63668%0.678SS**SBendtrans-87.2-16.1-171-176.40000113.8S66V63-S66 PolarHBondContact O-OG 3.49Å
64D52.6Low58.3Low135 Ų135124.4 Ų124.472%0.72268%0.681SS**THydrogen-bonded Turntrans-90.8-4.7-178.1-139.83.6000114.2
65A55.2Low57.8Low97 Ų97128 Ų12880%0.80270%0.7SS**THydrogen-bonded Turntrans-80.7-11.5177.400000114.2
66S54.4Low56.8Low92 Ų92129.7 Ų129.764%0.64371%0.708SS**SBendtrans-114.4-4.3-170.7490000115V63 N68V63-S66 PolarHBondContact O-OG 3.49Å; S66-N68 PolarHBondContact O-N 3.49Å
67S52.6Low56.8Low88 Ų88130.7 Ų130.762%0.61572%0.718SS**THydrogen-bonded Turntrans-79.5-10.1-176.1-162.20000115.2
68N54.2Low57.1Low148 Ų148137.6 Ų137.679%0.79175%0.745SS**THydrogen-bonded Turntrans-106.832.7-170.8-79.8-37.1000115.9S66S66-N68 PolarHBondContact O-N 3.49Å
69R53.4Low57.1Low236 Ų236137.7 Ų137.789%0.89175%0.75SS**  trans-121.858.4166.5-75.5-167.3-177.8175.73.6113.3
70K56.4Low57.4Low207 Ų207135 Ų13590%0.975%0.754SS**  trans-9765.5155-164.7175.2-177.3177.90109.7
71V64.1Low57.7Low127 Ų127140.3 Ų140.377%0.7777%0.767SS**  trans-93.7130166.8174.50000107.5S73V71-S73 PolarHBondContact O-N 2.77Å
72E57.1Low57.6Low172 Ų172138.7 Ų138.780%0.80476%0.764SS**  trans-61.9117.2-175.7-65.5151.6111.400111.8
73S54.1Low57.8Low117 Ų117144.4 Ų144.482%0.81878%0.775SS**  trans-101.474.4157.462.90000108.6V71 D75V71-S73 PolarHBondContact O-N 2.77Å; S73-D75 PolarHBondContact O-N 2.93Å
74S58.8Low57.8Low105 Ų105150.4 Ų150.473%0.73479%0.786SS**  trans-70.8109.3167.9-66.80000108.6
75D66.2Low58.1Low158 Ų158147.8 Ų147.885%0.84578%0.783SS**  trans-67.4145-174.4-152.8-7.1000111.9S73S73-D75 PolarHBondContact O-N 2.93Å
76E56.7Low58.2Low173 Ų173152.7 Ų152.781%0.80878%0.781SS**  trans-75135.2-172.9-68.9-177.572.400111.8
77T62.7Low58.4Low128 Ų128156.5 Ų156.579%0.78578%0.781SS**  trans-156.1104.1141.96.90000114.2
78K64.4Low58.5Low186 Ų186161.9 Ų161.981%0.80979%0.788SS**  trans62.8116.8132.7-74.3-177.6178.71740121.5
79V58.2Low58.4Low118 Ų118160.1 Ų160.172%0.71579%0.787SS**  98.3134.6123.4171.80000119.2
80T61.8Low58.4Low130 Ų130154.8 Ų154.880%0.79879%0.786SS**  trans62.9138.7170.538.90000118.1
81E63.4Low58.3Low178 Ų178150.4 Ų150.483%0.83278%0.782SS**  cis-159.7156.7-17.4-138.9-139.7129.500107.1
82P53.5Low57.8Low107 Ų107150.8 Ų150.870%0.69579%0.786SS**  trans-99.2140.2-167.136.1-31.4000114.1
83R59.4Low57.8Low226 Ų226146.3 Ų146.385%0.85379%0.787SS**  trans-158.5119.1158.3-116.8164.1-169.2178.64.9115
84R54.9Low57.9Low230 Ų230149.3 Ų149.387%0.86879%0.793SS**  trans55135.9140.6-75.2-179.8173.3172.2-2.6118.7
85A58.8Low57.9Low81 Ų81150.7 Ų150.767%0.66980%0.797SS**  cis-172.6170.4200000113
86R57.6Low57.5Low200 Ų200155 Ų15576%0.75580%0.801SS**  trans72.1114.4145.1-84.3-179.5166.1-168.7-1.8119.9
87R57.9Low57.1Low171 Ų171150.9 Ų150.965%0.64581%0.805SS**  75.9144.6127.4-65.4177.6171.9-154.6-4.9116.4
88R54.3Low56.7Low202 Ų202148.6 Ų148.676%0.76281%0.807SS**  cis-153.3141.41.7-127.3164.7178.4-178.9-7.5108.6
89S52.6Low56.2Low110 Ų110145.5 Ų145.577%0.76981%0.809SS**  trans-70.1149167.941.90000111.8
90S53.5Low56.5Low125 Ų125147.8 Ų147.887%0.87482%0.816SS**  trans-156.8139.8150.5-87.30000109.6
91S53.9Low56.6Low115 Ų115147.6 Ų147.680%0.80482%0.817SS**  trans-88.2165.4-162.3-52.20000114.4
92P54.1Low55.9Low134 Ų134143.9 Ų143.987%0.8781%0.811SS**  trans-77.8148.8178.732.4-35.7000112.9
93G57.6Low55.4Low79 Ų79146 Ų14681%0.81482%0.816SS**  trans-117.9126.9177.700000112.7
94L54.9Low54.9Low179 Ų179141.3 Ų141.394%0.93782%0.818SS**  trans-94.7120176.3-69.5165.8000111.5
95T59.7Low54.6Low135 Ų135136.3 Ų136.383%0.82882%0.818SS**  trans-147.8123.3154.346.80000106.5
96R58.5Low54.4Low249 Ų249138.1 Ų138.194%0.9483%0.826SS**  cis74.696.249.9-164.2-178.3-171.5-177.53.9113.9
97G48.6Very low54.2Low85 Ų85133.1 Ų133.188%0.87682%0.822SS**  trans95.8126.9153.900000116
98G52.8Low54Low81 Ų81136 Ų13684%0.83583%0.833SS**  trans175.6108.2173.600000111.4
99S54.6Low54.2Low120 Ų120135.9 Ų135.984%0.83984%0.838SS**  trans-74.5158.3-171.7-50.20000114.4
100L63.4Low54.4Low167 Ų167136.5 Ų136.587%0.87484%0.842SS**  trans-59.2157.1162.1-63.5168000111.5
101P64.2Low54.5Low125 Ų125135.4 Ų135.481%0.81283%0.834SS**  -135.8164.9119.838.3-29.4000114.3
102S49.5Very low54.2Low101 Ų101137.4 Ų137.471%0.70684%0.835SS**  trans-85.1165.6-171.9-40.10000115.1
103D43.6Very low54.1Low151 Ų151137.2 Ų137.281%0.80783%0.831SS**  trans46.9116.8144.7-54.5-32.2000120.8
104S48Very low53.7Low127 Ų127137.9 Ų137.989%0.88883%0.829SS**  trans-160.3119.9141.1-83.40000112
105S47.7Very low53.4Low125 Ų125133.6 Ų133.687%0.87482%0.82SS**  trans-77.5142.3171.649.60000111.8
106S54.7Low53.2Low120 Ų120136.6 Ų136.684%0.83982%0.821SS**  trans-164145.3155-169.50000113.1
107S53.6Low52.8Low95 Ų95129.1 Ų129.166%0.66481%0.812SS**  trans-92.9153.3-179.1580000113
108R55Low53Low232 Ų232134 Ų13488%0.87581%0.812SS**  trans169123.9136.1-88.8150.5-169.4-1433.6108.9
109K57.3Low53Low198 Ų198136 Ų13686%0.86181%0.811SS**  85.3143.867-112.8-176.2179.7179.60114.2
110S57.1Low53.1Low123 Ų123136 Ų13686%0.8681%0.811SS**  trans81.2146.7176.883.30000115.8
111S54.9Low52.8Low102 Ų102135 Ų13571%0.71381%0.806SS**  cis-151.6157.30.8590000114.4
112L47.5Very low52.2Low158 Ų158139.9 Ų139.983%0.82781%0.808SS**  trans-1.8150.3151.6-62.8120.6000120.1
113V53.6Low52.7Low130 Ų130144.2 Ų144.279%0.78881%0.814SS**  -165.4121.174.9162.30000108.8
114A47.6Very low52.9Low92 Ų92148.4 Ų148.476%0.7682%0.819SS**  53.4144.297.100000117.2
115A50.4Low53.3Low90 Ų90147.1 Ų147.174%0.74481%0.809SS**  cis-164.3153.2-11.300000108.8
116K55.1Low53.7Low197 Ų197148.7 Ų148.786%0.85781%0.808SS**  167.1134.199.9-91.5-179.7174.1179.20108.8
117A49.3Very low53.3Low92 Ų92148.6 Ų148.676%0.7681%0.807SS**  63.4134.7107.200000115.9
118E53.9Low53.2Low187 Ų187149.7 Ų149.787%0.87482%0.815SS**  cis-143.6169.722.6-71.3-167.7140.300114.7
119P51.6Low52.8Low125 Ų125146.7 Ų146.781%0.81282%0.815SS**  trans-114.516017940.4-30.6000116.1
120S57.9Low52.8Low119 Ų119145.5 Ų145.583%0.83281%0.813SS**  trans-145.697169.9-165.20000116.2
121L55.3Low52.5Low146 Ų146148.7 Ų148.776%0.76481%0.811SS**  trans20.1146.1142.4-61.5175.1000125.4
122R53.6Low52.3Low227 Ų227147.9 Ų147.986%0.85781%0.811SS**  trans77.3136.8146.6-78.4165.9173-174.2-1.8117.6
123K58.4Low52.5Low193 Ų193146 Ų14684%0.83981%0.811SS**  cis-139141.97.3-63.9163.9178.4166.20108.3
124R49.1Very low52.1Low239 Ų239145.5 Ų145.590%0.90281%0.813SS**  79.313563.1-126-173.5-169.3-1651.8115.6
125S55Low52.4Low99 Ų99146.9 Ų146.969%0.69282%0.817SS**  trans81.2136.3165.8-72.10000118.4
126N56.1Low52.1Low158 Ų158146.1 Ų146.185%0.84582%0.818SS**  cis-148.9169.84.4-87.6-22.7000112.8
127S47.5Very low51.9Low118 Ų118146 Ų14683%0.82582%0.821SS**  trans-143.5135.1-177.657.30000114
128S51Low51.5Low118 Ų118152.7 Ų152.783%0.82583%0.828SS**  trans-171125.2161.551.10000107.3
129L47.3Very low51.3Low169 Ų169149.8 Ų149.889%0.88583%0.829SS**  cis81.577.734.7-157.492.4000115.5
130E55.9Low50.7Low173 Ų173150.3 Ų150.381%0.80883%0.83SS**  trans-135124.6155.1-72-85.810100104.3
131K52.6Low50.1Low190 Ų190150.2 Ų150.283%0.82682%0.824SS**  58.5132.572.8-77.2-177.2176.7177.60113.2
132A49.1Very low49.7Very low86 Ų86152.6 Ų152.671%0.71183%0.828SS**  cis-160.1-176.46.700000113.1
133S52.2Low48.9Very low119 Ų119147.5 Ų147.583%0.83283%0.827SS**  trans67.1120.5158.7-50.60000118.3
134S45.4Very low48.5Very low118 Ų118145.3 Ų145.383%0.82583%0.83SS**  cis75.287.112.6-177.40000118.7
135S53.2Low48.1Very low121 Ų121138.6 Ų138.685%0.84683%0.826SS**  -176.2133.512951.10000114.6
136G44.1Very low47.9Very low74 Ų74142.1 Ų142.176%0.76384%0.835SS**  trans83.4156145.700000119
137E51.4Low47.3Very low195 Ų195143.9 Ų143.991%0.91184%0.835SS**  cis-153152.8-19.9-96.9-174.3142.300107.3
138Y40.5Very low47.3Very low232 Ų232149.5 Ų149.591%0.9184%0.838SS**  trans-93.1142176.1-69.3-88000111.2
139S50.5Low47.1Very low127 Ų127149.2 Ų149.289%0.88884%0.837SS**  trans-149.6111.8163.3-83.80000112.3
140T39Very low47.1Very low136 Ų136144.4 Ų144.483%0.83483%0.828SS**  trans-108.8115.7174.717.30000110.1
141T44.2Very low46.5Very low117 Ų117143.2 Ų143.272%0.71883%0.833SS**  trans-157.4127.5157.930.70000115.5
142K48.6Very low46Very low195 Ų195139.2 Ų139.285%0.84884%0.835SS**  trans68.3117132.7-63.9173.3-178.3175.50120.8
143S36.7Very low45.8Very low120 Ų120141.2 Ų141.284%0.83984%0.838SS**  trans-69.9148.8156.5-35.10000112.6
144T49.2Very low45.4Very low147 Ų147140.8 Ų140.890%0.90284%0.836SS**  trans-148.5142153.616.60000110.1
145A40.3Very low45.5Very low98 Ų98140.4 Ų140.481%0.8183%0.828SS**  trans-101151.4-17500000112.5
146I50.5Low45.2Very low174 Ų174143 Ų14389%0.89283%0.827SS**  trans-132.2133.5166.1-61.5-176.7000109.9
147K45.1Very low45.6Very low194 Ų194145 Ų14584%0.84383%0.829SS**  trans-101.6150.3174.6-91.3178.7170177.50110.7
148R46.6Very low45.5Very low236 Ų236142.8 Ų142.889%0.89183%0.829SS**  trans154.1117.1141-86.7163.3169-170.7-5108.5
149S47.9Very low45.7Very low113 Ų113134.9 Ų134.979%0.7982%0.818SS**  58.2122.971.574.70000113.8
150G46.6Very low45.7Very low68 Ų68140.3 Ų140.370%0.70182%0.819SS**  cis176.5-175.2-0.900000113.4
151T43.4Very low46.2Very low148 Ų148143.8 Ų143.891%0.90882%0.823SS**  trans33123.6155.452.60000121.2
152A41.9Very low46.5Very low105 Ų105144.1 Ų144.187%0.86883%0.83SS**  trans-137.5140.8150.700000110.2
153T44.6Very low46.4Very low128 Ų128139.8 Ų139.879%0.78582%0.824SS**  trans-141.3129.6178.744.60000110.4
154S44.5Very low47Very low111 Ų111144.7 Ų144.778%0.77682%0.824SS**  trans57.5161.116992.30000116.3
155T46.4Very low47.3Very low109 Ų109145.4 Ų145.467%0.66981%0.814SS**  cis-153.6160.34.6-8.90000109.2
156E48Very low47.8Very low176 Ų176149.2 Ų149.282%0.82281%0.813SS**  trans6.6131.4156-57.1175.6120.900120.7
157S51.4Low47.8Very low115 Ų115145.6 Ų145.680%0.80481%0.809SS**  175.913310743.10000115.3
158V49.7Very low48.1Very low150 Ų150145.1 Ų145.191%0.90981%0.807SS**  trans17.7125.2139-170.40000119.8
159G45.5Very low48.4Very low66 Ų66142.2 Ų142.268%0.6881%0.809SS**  138.2109.4126.700000121.3
160R49.7Very low48.6Very low241 Ų241140.3 Ų140.391%0.90981%0.807SS**  trans60.4110.6136.2-62.8-178.5174-171-1.7121.4
161K50.4Low48.5Very low209 Ų209143.8 Ų143.891%0.90981%0.814SS**  34.5120.2123.9-58.5-177.8179.1-174.70119.4
162S48.9Very low48.6Very low124 Ų124141.8 Ų141.887%0.86781%0.806SS**  trans-163148.8131.1-161.50000113.1
163S47.7Very low48.9Very low104 Ų104142.2 Ų142.273%0.72780%0.799SS**  trans-105.7152-179.551.90000112.8
164R48.5Very low49.3Very low223 Ų223143.7 Ų143.784%0.84280%0.796SS**  trans175.5151.9166.7-98.6157.8-166-1468.2108.2
165K55.6Low49.8Very low161 Ų161145.8 Ų145.870%0.780%0.799SS**  cis-169.1144-17.7-116.5-172.4-176.7-1720109
166F50.4Low49.7Very low178 Ų178149.3 Ų149.378%0.78181%0.808SS**  trans26.8126.4153.2-56.3-67.8000124.3
167A52Low50.1Low98 Ų98145.6 Ų145.681%0.8180%0.799SS**  -156.4130.9121.500000106.4
168K51.1Low49.9Very low185 Ų185145.6 Ų145.680%0.80480%0.799SS**  cis83.3129.917.8-157.6172.7-176178.40115.7
169L51.8Low50Low175 Ų175143.5 Ų143.592%0.91679%0.791SS**  trans89132.2-175.2-54.1166.4000113.1
170G51.7Low50.2Low73 Ų73148 Ų14875%0.75380%0.798SS**  cis-155.8179.52.600000114.3
171T44.8Very low50.5Low140 Ų140148.3 Ų148.386%0.85980%0.8SS**  trans-131.6139.8-167.748.40000112.5
172S46.1Very low50.2Low106 Ų106144.2 Ų144.274%0.74179%0.792SS**  trans177.3113.2148.650.20000109.9
173T47.8Very low50.8Low115 Ų115144 Ų14471%0.70679%0.79SS**  72.2134.477.3440000117.6
174E53.4Low51.1Low158 Ų158146 Ų14674%0.73879%0.793SS**  trans71.3124.6153.5-67.4152.7-13600117.6
175N54.4Low51.6Low155 Ų155142.6 Ų142.683%0.82979%0.792SS**  -164.7-178.951.4-106.5-44.4000115.6
176E45.2Very low51.5Low183 Ų183142.2 Ų142.286%0.85580%0.797SS**  trans-88.1177.1-161.6-105.2-14211900118.9
177P56.4Low51.3Low99 Ų99137.6 Ų137.664%0.64379%0.791SS**  trans-107175.2-169.342.3-35.6000115.7
178S45.8Very low51.2Low115 Ų115140.4 Ų140.480%0.80479%0.791SS**  trans165.1139.7136.3480000114.6
179S52Low51Low105 Ų105137.2 Ų137.273%0.73479%0.789SS**  161.4117.7113.759.60000115.1
180L50.8Low51.3Low160 Ų160137 Ų13784%0.83879%0.788SS**  trans42.1119.3132.1-62163.1000121
181R55.5Low50.9Low249 Ų249141.5 Ų141.594%0.9479%0.789SS**  -158.3129.3110-80.5-141.9174.1-170.4-3.7112.1
182T44.7Very low51.5Low122 Ų122146.6 Ų146.675%0.74879%0.793SS**  trans-141146.3170.334.30000110.2
183S61.9Low51.5Low119 Ų119148.7 Ų148.783%0.83279%0.791SS**  trans-162.7110.1162.6-51.40000104.6
184D52.4Low51.8Low146 Ų146152.5 Ų152.578%0.78180%0.801SS**  70.4104.660.4-76.7-22.1000115.6
185D59.8Low51.5Low152 Ų152151.5 Ų151.581%0.81380%0.8SS**  trans179110.1143.2-100.4-24000106.2
186L54.3Low51.4Low154 Ų154150.7 Ų150.781%0.80680%0.795SS**  63.9134.262.8-59.9177.3000114.2
187A45.2Very low51.5Low80 Ų80147.7 Ų147.766%0.66179%0.789SS**  cis-170176.4-18.600000112.4
188I50.3Low50.9Low157 Ų157148 Ų14881%0.80579%0.794SS**  trans78.6125.5160.2-53.9-172.9000119.5
189P47.2Very low51.3Low119 Ų119150.8 Ų150.877%0.77380%0.799SS**  trans-103.8174.1167.840.7-35.2000114.2
190L57.5Low50.9Low170 Ų170153.6 Ų153.689%0.8980%0.801SS**  trans-147.6134.4167.7-142.692.5000113.9
191E43.4Very low51.3Low167 Ų167152.4 Ų152.478%0.7880%0.8SS**  trans-80.6164.2176.3-59.2175.1106.200113.9
192R57.6Low50.8Low248 Ų248147.2 Ų147.294%0.93679%0.791SS**  trans-145.8130.9136-80.7-156.4172162.5-0.5112.9
193Q45.9Very low51.1Low149 Ų149145.5 Ų145.570%0.69679%0.789SS**  trans-77.8158170.8-59.9165.3-78.100112.9
194Q54.4Low50.4Low195 Ų195147 Ų14791%0.91179%0.793SS**  trans-178.4107.6135.8-99.8167.321.700106.4
195D46.5Very low50.4Low137 Ų137143.7 Ų143.773%0.73379%0.794SS**  cis96.8146.633.4-1509.6000113.4
196I52.7Low49.8Very low138 Ų138146 Ų14671%0.70880%0.799SS**  trans94.397.4168.6-50.2-169.4000120.9
197T46.3Very low49.4Very low121 Ų121143 Ų14374%0.74280%0.797SS**  trans44125.1139.568.30000122
198S45.5Very low49.4Very low105 Ų105149.2 Ų149.273%0.73481%0.809SS**  72.611860.3-167.50000116
199N53.7Low49.3Very low173 Ų173145.1 Ų145.193%0.92580%0.799SS**  trans-164.8154.8144.1-101.4-28.5000112.1
200Q44.2Very low49.1Very low164 Ų164147.4 Ų147.477%0.76680%0.804SS**  trans-134.1136-161.6164.6-16319.600109.6
201V58.7Low49Very low136 Ų136143 Ų14382%0.82480%0.8SS**  trans-165.1144.8143.4-106.20000114.4
202D44.7Very low49.1Very low140 Ų140141.2 Ų141.275%0.74980%0.801SS**  trans-42.3166.4170.7-47.9-65.5000116.3
203A49.9Very low48.6Very low86 Ų86134.4 Ų134.471%0.71179%0.791SS**  cis-177.6144.749.300000115.3
204V48.2Very low48.6Very low150 Ų150131.8 Ų131.891%0.90979%0.79SS**  trans53.4126.6133.1-176.70000122.2
205G52.9Low48.3Very low77 Ų77130.8 Ų130.879%0.79479%0.785SS**  trans178.5107.5154.300000114.6
206Q46.2Very low48.4Very low199 Ų199129.1 Ų129.193%0.9378%0.784SS**  trans-111.6146.8180-70.7-177.2-11.600113.7
207A46.3Very low48.2Very low93 Ų93128.2 Ų128.277%0.76978%0.784SS**  trans175.2127.5138.800000108.5
208K45.5Very low48.2Very low210 Ų210131.2 Ų131.291%0.91379%0.79SS**  58.7135.368.1-79.2-161.4173.6-1710114.6
209A48.2Very low48.3Very low70 Ų70130.3 Ų130.358%0.57979%0.789SS**  cis-167.8167.1-9.900000111.2
210D43.3Very low48Very low167 Ų167126.3 Ų126.389%0.89378%0.78SS**  trans55.4140150-50.6-28.2000123
211G55.2Low48Very low78 Ų78124 Ų12480%0.80478%0.782SS**  trans169.982.9172.200000116.2
212T46.2Very low47.6Very low130 Ų130122.8 Ų122.880%0.79878%0.779SS**  trans-46144173.642.40000118.5
213S45.4Very low48.2Very low104 Ų104121.4 Ų121.473%0.72778%0.778SS**  20.6152.3125.778.60000120.3
214S46.7Very low48.2Very low95 Ų95124.8 Ų124.866%0.66478%0.781SS**  cis-174.4152.530.247.40000112.6
215E47.6Very low48.3Very low174 Ų174123.5 Ų123.581%0.81377%0.768SS**  trans78.3146.6132.4-155.5-174.1139.300124
216S49.2Very low48.1Very low102 Ų102127.6 Ų127.671%0.71376%0.764SS**  trans78.2149.8154.978.70000119
217V47.6Very low48.1Very low118 Ų118125.1 Ų125.172%0.71575%0.752SS**  cis-170.7145.2-26.3121.60000108
218E46.5Very low48.4Very low185 Ų185130.3 Ų130.386%0.86476%0.758SS**  trans54.1163.5158-74.4-176.7157.800121
219A47.9Very low48.3Very low85 Ų85124.4 Ų124.470%0.70275%0.748SS**  cis-164.5170.9-23.200000111.3
220A47.1Very low48Very low90 Ų90129.6 Ų129.674%0.74476%0.76SS**  trans86.6133.2143.200000123
221S44.4Very low48.3Very low114 Ų114128.8 Ų128.880%0.79776%0.755SS**  trans75.5147.6144.2-67.30000120.6
222S50.9Low47.8Very low111 Ų111133.9 Ų133.978%0.77676%0.757SS**  cis-172.4167.5-28.4-120.90000109.5
223P57.2Low47.7Very low111 Ų111133.1 Ų133.172%0.72176%0.757SS**  trans-106.3169.8-160.940.2-36.8000117.2
224M50.7Low47.8Very low157 Ų157134.3 Ų134.377%0.77376%0.763SS**  trans-144.3127.8165.4-79.7-164.370.900109.9
225I50Low47.5Very low123 Ų123134.2 Ų134.263%0.63176%0.762SS**  71.9123.972.1-68.9172000110.3
226K49Very low47.3Very low164 Ų164132.7 Ų132.771%0.71376%0.76SS**  cis-163.2154.420.3-122.9164.6-166.4171.50113.6
227Q45.3Very low46.9Very low147 Ų147133 Ų13369%0.68776%0.762SS**  trans25.9141.2139.9-65.4171.7-52.300122.6
228F53Low46.8Very low201 Ų201133 Ų13388%0.88277%0.766SS**  -172142106.5-93.5-63.6000114.3
229A43.9Very low46.7Very low86 Ų86131.9 Ų131.971%0.71177%0.766SS**  trans28.5127.215700000121.2
230E41.9Very low46.7Very low179 Ų179132.8 Ų132.884%0.83676%0.764SS**  cis75.2116.848.5-166.6174.6-14100114.5
231I49.1Very low46.7Very low151 Ų151139.1 Ų139.177%0.77477%0.769SS**  trans173.5113.3133.2-85.2154.4000110.6
232E45.2Very low46.5Very low184 Ų184140.8 Ų140.886%0.8677%0.769SS**  trans41.8141.6141.7-52.6-173.3130.300124.5
233S43.3Very low46.1Very low114 Ų114144.7 Ų144.780%0.79777%0.772SS**  trans-86.6174172-45.90000112.9
234P47.9Very low45.2Very low129 Ų129144.8 Ų144.884%0.83878%0.776SS**  -143157.4115.536.2-22.5000116.9
235S39.8Very low45.2Very low93 Ų93146.3 Ų146.365%0.6578%0.778SS**  trans-64.6146.4173.439.80000116
236N43Very low44.7Very low143 Ų143144.3 Ų144.377%0.76578%0.78SS**  160.4149108.9-88.4-47000116.3
237S40.9Very low44.6Very low109 Ų109144.8 Ų144.876%0.76279%0.79SS**  trans58.6123.5151.764.30000119.2
238S46.7Very low44.4Very low116 Ų116143.8 Ų143.881%0.81180%0.797SS**  177.7152.461.740.10000112.5
239L44.3Very low43.9Very low163 Ų163143.7 Ų143.785%0.85380%0.797SS**  trans-75.5-177.8165.7-72.1161.5000110.9
240P48.1Very low43.9Very low103 Ų103151.2 Ų151.267%0.66981%0.807SS**  cis-135179-4.229.7-7.2000115
241R46.1Very low43.9Very low223 Ų223152.6 Ų152.684%0.84280%0.804SS**  165.8129.6117.7-91.2171.3179.1170.41.5115.9
242N39.6Very low43.6Very low150 Ų150152.7 Ų152.780%0.80280%0.801SS**  trans-11.6133152.8-50.9-20.2000118.8
243F42.8Very low43.7Very low192 Ų192150 Ų15084%0.84280%0.797SS**  trans-127.5121.4143.8-94.3-87.3000110.2F245F243-F245 HydrophobicContact CD1-CE2 4.02Å
244S38.6Very low43.5Very low113 Ų113152.9 Ų152.979%0.7980%0.8SS**  trans-117.4111.8172.856.50000108.7
245F51.3Low43.5Very low189 Ų189156.4 Ų156.483%0.82980%0.803SS**  trans-91.2129.6171-89.2-86000110.8F243F243-F245 HydrophobicContact CD1-CE2 4.02Å
246A38.2Very low43.6Very low81 Ų81156.9 Ų156.967%0.66981%0.812SS**  trans-113.8173.7167.900000109.1
247L47.4Very low43.6Very low175 Ų175153.3 Ų153.392%0.91681%0.809SS**  trans85.9141.2-171.2-53153.1000112.1
248C40.6Very low43.8Very low125 Ų125154.4 Ų154.485%0.84581%0.811SS**  cis-140159.422.1-159.20000114.3
249K42.7Very low44.1Very low199 Ų199155.8 Ų155.887%0.86581%0.814SS**  trans-105134.3176.2-76.9177173.9174.30111.8
250R45.4Very low44Very low245 Ų245155 Ų15593%0.92581%0.811SS**  trans-162.4119.5155.5-108.3175.3173.7165.9-2.4106.3
251R41.6Very low44Very low207 Ų207154 Ų15478%0.78181%0.811SS**  cis99.6112.725.4-164.8-176-166.9-173.94.5113.1
252Q42.1Very low44.2Very low154 Ų154152.1 Ų152.172%0.7281%0.812SS**  trans69.2152.1167.9-71.3158.8-37.200114.9
253V46.5Very low44.7Very low126 Ų126153.8 Ų153.876%0.76482%0.815SS**  cis-135.6158.625.3174.70000111.6F255V253-F255 HydrophobicContact CG1-CD2 4.46Å
254M39.7Very low45Very low175 Ų175153.7 Ų153.786%0.86282%0.817SS**  trans-93.2148.4171.8-56.2-163.8-5800111.9
255F49Very low45.5Very low204 Ų204157.9 Ų157.990%0.89582%0.824SS**  trans-140.6146.5155.9-102-81.6000111.2V253V253-F255 HydrophobicContact CG1-CD2 4.46Å
256A40.5Very low45.1Very low103 Ų103153.1 Ų153.185%0.85182%0.82SS**  trans-141.8151.4-179.900000110.3
257G44.2Very low45.3Very low67 Ų67155.2 Ų155.269%0.69183%0.828SS**  trans149.3114.4-175.900000106.8
258V45.4Very low45.1Very low133 Ų133152.1 Ų152.181%0.80682%0.821SS**  cis65.491.841.1-168.70000112.5
259V52Low45Very low144 Ų144154.1 Ų154.187%0.87382%0.822SS**  -148.1148.6122.6-165.10000108.2
260D41.5Very low44.9Very low147 Ų147149.9 Ų149.979%0.78682%0.817SS**  trans-82.7-179.4-178.3-68.4-76.8000115.4
261A49.3Very low44.7Very low81 Ų81143.7 Ų143.767%0.66981%0.811SS**  trans101.5103.4138.600000120
262E48.9Very low44.8Very low185 Ų185142.6 Ų142.686%0.86482%0.815SS**  trans70150.3130.1-55-172.6163.700117.6
263E50.6Low44.9Very low185 Ų185144.2 Ų144.286%0.86482%0.822SS**  cis-149.5175.419.6-149.5169.4-166.500110.8
264E49.8Very low44.6Very low189 Ų189143 Ų14388%0.88383%0.826SS**  trans-77.8151179.4-59.3-172.8129.500113.4
265E48.3Very low44.9Very low201 Ų201143.4 Ų143.494%0.93983%0.826SS**  -162.5155.8120.9-119.3-168.8-17400113.1
266A44.2Very low44.5Very low90 Ų90138.7 Ų138.774%0.74482%0.818SS**  trans-107.8143.2-172.100000112.9
267C40.8Very low44.4Very low124 Ų124139.7 Ų139.784%0.83882%0.816SS**  trans-152.2112.1153.4-110.90000115.1
268S43.2Very low44Very low111 Ų111143.3 Ų143.378%0.77682%0.818SS**  53.3101127.7-54.70000119.6S270S268-S270 PolarHBondContact O-N 3.24Å
269I39.5Very low43.4Very low167 Ų167145.6 Ų145.686%0.85683%0.825SS**  trans-61.7125.7163.6-62158.9000110.1
270S40.9Very low42.4Very low110 Ų110145 Ų14577%0.76982%0.818SS**  trans-116.7113.7164.9179.30000108.8S268 Q272S268-S270 PolarHBondContact O-N 3.24Å; S270-Q272 PolarHBondContact O-N 3.29Å
271S40Very low41.9Very low115 Ų115145.2 Ų145.280%0.80481%0.813SS**  trans-77.9117176.2-55.30000109.9
272Q43.9Very low40.9Very low184 Ų184146.6 Ų146.686%0.8681%0.813SS**  trans-123.4139.7166.1-154.2170.310.300111S270 A274S270-Q272 PolarHBondContact O-N 3.29Å; Q272-A274 PolarHBondContact O-N 2.88Å
273E43.7Very low40Very low187 Ų187145.5 Ų145.587%0.87481%0.808SS**  trans-74.9115.2-166.6-165.5171.4156.600111Q275E273-Q275 PolarHBondContact O-N 3.47Å; E273-Q275 VanDerWaalsContact O-N 3.17Å
274A42.1Very low38.9Very low102 Ų102141 Ų14184%0.84379%0.793SS**  trans-78.6100.7-17800000110.9Q272Q272-A274 PolarHBondContact O-N 2.88Å
275Q45.2Very low37.9Very low183 Ų183141.4 Ų141.486%0.85580%0.795SS**PPolyproline II helixtrans-64.6135.5165.1-69.9179.8-17.600110E273E273-Q275 PolarHBondContact O-N 3.47Å; E273-Q275 VanDerWaalsContact O-N 3.17Å
276S39.7Very low37.1Very low105 Ų105135.3 Ų135.373%0.73477%0.772SS**PPolyproline II helixtrans-66.6125.2173.649.10000110.5L278S276-L278 PolarHBondContact O-N 3.27Å
277P39.3Very low36.6Very low124 Ų124138.5 Ų138.581%0.80578%0.782SS**PPolyproline II helixtrans-68.5124.7173.527.9-32.4000109.6
278L36.6Very low36.4Very low142 Ų142136.9 Ų136.974%0.74377%0.772SS**PPolyproline II helixtrans-61.5146.6160-82.283.3000108.6S276 N280S276-L278 PolarHBondContact O-N 3.27Å; L278-N280 VanDerWaalsContact C-N 3.31Å; L278-N280 PolarHBondContact O-N 3.46Å
279L31.7Very low36.2Very low182 Ų182135.3 Ų135.395%0.95376%0.758SS**  trans-6795.2162.5-88.5158.7000107.8H281L279-H281 PolarHBondContact O-N 2.83Å
280N32Very low36.6Very low132 Ų132132.3 Ų132.371%0.70674%0.74SS**  trans-65.5122.7171.1-72.7-18000108.7L278 V282L278-N280 VanDerWaalsContact C-N 3.31Å; L278-N280 PolarHBondContact O-N 3.46Å; N280-V282 HydrophobicContact CB-CG2 4.49Å; N280-V282 PolarHBondContact O-N 2.95Å
281H30.1Very low36.7Very low150 Ų150130.1 Ų130.169%0.69472%0.719SS**  trans-61.3117.7160.3-155.8-92.3000106.9L279 E283L279-H281 PolarHBondContact O-N 2.83Å; H281-E283 IonicContact CE1-OE1 3.8Å; H281-E283 PolarHBondContact CE1-OE1 2.71Å; H281-E283 IonicContact ND1-OE1 2.71Å
282V27.6Very low37.3Very low111 Ų111130.7 Ų130.767%0.67371%0.707SS**  trans-106.793.3177.5-170.70000108.1N280 V284N280-V282 HydrophobicContact CB-CG2 4.49Å; N280-V282 PolarHBondContact O-N 2.95Å; V282-V284 HydrophobicContact CG1-CG2 3.63Å; V282-V284 PolarHBondContact O-N 2.88Å
283E29.7Very low37.6Very low161 Ų161127.9 Ų127.975%0.75269%0.694SS**  trans-75.7115.5162.6-72.9170.3178.500107.7H281H281-E283 IonicContact CE1-OE1 3.8Å; H281-E283 PolarHBondContact CE1-OE1 2.71Å; H281-E283 IonicContact ND1-OE1 2.71Å
284V28.3Very low37.9Very low92 Ų92121.7 Ų121.756%0.55867%0.669SS**  trans-101.984.7177-174.80000108.4V282 T286V282-V284 HydrophobicContact CG1-CG2 3.63Å; V282-V284 PolarHBondContact O-N 2.88Å; V284-T286 VanDerWaalsContact C-N 3.28Å; V284-T286 HydrophobicContact CG1-CG2 3.67Å; V284-T286 WeakPolarHBondContact CG1-OG1 3.43Å; V284-T286 PolarHBondContact O-N 3.31Å
285E28.8Very low38.5Very low197 Ų197120 Ų12092%0.92165%0.648SS**  trans-71.186.2162-76.6-169.5142.500109.1
286T31.3Very low39.1Very low73 Ų73117.4 Ų117.445%0.44864%0.64SS.*  trans-129.6122.9167.761.30000111.2V284 S288V284-T286 VanDerWaalsContact C-N 3.28Å; V284-T286 HydrophobicContact CG1-CG2 3.67Å; V284-T286 WeakPolarHBondContact CG1-OG1 3.43Å; V284-T286 PolarHBondContact O-N 3.31Å; T286-S288 PolarHBondContact O-N 2.86Å; T286-S288 PolarHBondContact OG1-O 2.91Å; T286-S288 VanDerWaalsContact OG1-O 3.13Å
287T34.6Very low39.9Very low157 Ų157119.2 Ų119.296%0.96364%0.64SS**SBendtrans-65.51.6176.150.10000114.2
288S36Very low40.4Very low90 Ų90116.1 Ų116.163%0.62962%0.616SS**SBendtrans-145.6116.6161.347.30000109T286 E290T286-S288 PolarHBondContact O-N 2.86Å; T286-S288 PolarHBondContact OG1-O 2.91Å; T286-S288 VanDerWaalsContact OG1-O 3.13Å; S288-E290 PolarHBondContact O-N 2.98Å
289V39.7Very low41.3Very low77 Ų77112.8 Ų112.847%0.46760%0.603SS.*  trans-86.2106.2171.21780000107.7L291V289-L291 PolarHBondContact O-N 3.48Å
290E46.4Very low42.6Very low104 Ų104110.6 Ų110.649%0.48660%0.6SS.*  trans-64.2103.9165.4-80.4-150.7134.200108.8S288 K292 H293S288-E290 PolarHBondContact O-N 2.98Å; E290-K292 PolarHBondContact O-N 2.83Å; E290-K292 IonicContact OE1-NZ 2.79Å; E290-K292 PolarHBondContact OE1-NZ 2.72Å; E290-K292 IonicContact OE2-NZ 3.43Å; E290-K292 PolarHBondContact OE2-NZ 2.86Å; E290-H293 PolarHBondContact O-N 2.94Å
291L44.8Very low44Very low64 Ų64112.6 Ų112.634%0.33561%0.605SS.*THydrogen-bonded Turntrans-47.2-20.7176.7-98.1146.7000114.6V289 H293 V294 V295 A309V289-L291 PolarHBondContact O-N 3.48Å; L291-H293 VanDerWaalsContact C-N 3.28Å; L291-H293 PolarHBondContact O-N 3.17Å; L291-V294 WeakPolarHBondContact O-CB 3.5Å; L291-V294 PolarHBondContact O-N 3.49Å; L291-V294 VanDerWaalsContact O-N 3.13Å; L291-V295 PolarHBondContact O-N 2.73Å; L291-A309 HydrophobicContact CD1-CB 3.89Å
292K51.5Low44.9Very low127 Ų127107 Ų10755%0.55258%0.581SS**Hα-helixtrans-49.8-44.9170.6-62.6175.9-169.7148.90112.7E290 V294 V295 D296E290-K292 PolarHBondContact O-N 2.83Å; E290-K292 IonicContact OE1-NZ 2.79Å; E290-K292 PolarHBondContact OE1-NZ 2.72Å; E290-K292 IonicContact OE2-NZ 3.43Å; E290-K292 PolarHBondContact OE2-NZ 2.86Å; K292-V294 PolarHBondContact O-N 2.62Å; K292-V295 WeakPolarHBondContact O-CB 3.42Å; K292-V295 PolarHBondContact O-N 3.2Å; K292-D296 PolarHBondContact O-N 2.82Å
293H50.8Low45.9Very low125 Ų125108.6 Ų108.658%0.57959%0.586SS**Hα-helixtrans-66.7-24-177.8-75.281.6000113.2E290 L291E290-H293 PolarHBondContact O-N 2.94Å; L291-H293 VanDerWaalsContact C-N 3.28Å; L291-H293 PolarHBondContact O-N 3.17Å
294V50.1Low46.8Very low58 Ų58102.9 Ų102.935%0.35256%0.562SS.*Hα-helixtrans-74.1-31.7174.7-176.80000110.8L291 K292L291-V294 WeakPolarHBondContact O-CB 3.5Å; L291-V294 PolarHBondContact O-N 3.49Å; L291-V294 VanDerWaalsContact O-N 3.13Å; K292-V294 PolarHBondContact O-N 2.62Å
295V55Low47.3Very low67 Ų67105.1 Ų105.141%0.40657%0.571SS.*Hα-helixtrans-69.9-36.7177.3-177.50000111.1L291 K292 I297 L298L291-V295 PolarHBondContact O-N 2.73Å; K292-V295 WeakPolarHBondContact O-CB 3.42Å; K292-V295 PolarHBondContact O-N 3.2Å; V295-I297 PolarHBondContact O-N 2.69Å; V295-I297 VanDerWaalsContact O-N 3.17Å; V295-L298 PolarHBondContact O-N 3.31Å; V295-L298 VanDerWaalsContact O-N 3.13Å
296D56.2Low48.1Very low127 Ų12799.4 Ų99.468%0.67955%0.549SS*.THydrogen-bonded Turntrans-65.8-16.2-179.7-66.3-36.1000114.4K292K292-D296 PolarHBondContact O-N 2.82Å
297I56.7Low48.1Very low144 Ų144103.9 Ų103.974%0.73857%0.565SS**THydrogen-bonded Turntrans-87.9-17.4178.5-59.5168.9000111.5V295V295-I297 PolarHBondContact O-N 2.69Å; V295-I297 VanDerWaalsContact O-N 3.17Å
298L49.6Very low48Very low59 Ų59103.6 Ų103.631%0.30955%0.553SS.*SBendtrans-82.1150-175.9-65.6172.9000112.2V295 V302 V304 I335V295-L298 PolarHBondContact O-N 3.31Å; V295-L298 VanDerWaalsContact O-N 3.13Å; L298-V302 HydrophobicContact CB-CB 4.48Å; L298-V302 HydrophobicContact CD1-CG1 4.37Å; L298-V304 HydrophobicContact CD1-CG2 3.36Å; L298-I335 HydrophobicContact CD1-CD1 4.4Å
299P56.3Low48Very low71 Ų71102.5 Ų102.546%0.46155%0.549SS..  trans-57.6142.4173-22.132.8000111.1E301 V302P299-E301 PolarHBondContact O-N 2.75Å; P299-V302 HydrophobicContact CB-CG2 4.34Å; P299-V302 HydrophobicContact CG-CG2 4.4Å; P299-V302 WeakPolarHBondContact O-CB 3.36Å; P299-V302 PolarHBondContact O-N 3.07Å
300P58.4Low47.8Very low136 Ų136108.2 Ų108.288%0.88356%0.564SS**THydrogen-bonded Turntrans-66.60.5-175.329.1-37.7000114.6
301E61.5Low47.2Very low175 Ų175109.4 Ų109.482%0.81858%0.582SS**THydrogen-bonded Turntrans-92.5-9.2175.9-64.7162.5-177.700111.6P299P299-E301 PolarHBondContact O-N 2.75Å
302V49.5Very low46.9Very low33 Ų33116 Ų11620%0.260%0.602CS.*  trans-96.3103-178.2-1780000110.5L298 P299 V304 V333L298-V302 HydrophobicContact CB-CB 4.48Å; L298-V302 HydrophobicContact CD1-CG1 4.37Å; P299-V302 HydrophobicContact CB-CG2 4.34Å; P299-V302 HydrophobicContact CG-CG2 4.4Å; P299-V302 WeakPolarHBondContact O-CB 3.36Å; P299-V302 PolarHBondContact O-N 3.07Å; V302-V304 HydrophobicContact CG1-CG2 3.98Å; V302-V304 PolarHBondContact O-N 2.82Å; V302-V333 HydrophobicContact CG1-CB 4.13Å; V302-V333 HydrophobicContact CG1-CG2 3.94Å
303N48.8Very low46.7Very low143 Ų143115.5 Ų115.577%0.76561%0.606SS**  trans-76.2107.1167.6-74.7-51.9000109.9
304V47.9Very low46.8Very low41 Ų41119.3 Ų119.325%0.24862%0.624CS.*  trans-91.6116.2168.5-1760000109.2L298 V302 V306 I335L298-V304 HydrophobicContact CD1-CG2 3.36Å; V302-V304 HydrophobicContact CG1-CG2 3.98Å; V302-V304 PolarHBondContact O-N 2.82Å; V304-V306 HydrophobicContact CG1-CG2 3.7Å; V304-I335 HydrophobicContact CB-CD1 4.48Å; V304-I335 HydrophobicContact CG1-CD1 3.78Å; V304-I335 HydrophobicContact CG2-CD1 3.81Å
305N40.3Very low46.9Very low139 Ų139125.2 Ų125.274%0.74365%0.648SS**  trans-96.8107.6168.8-157.824.9000108.5E307N305-E307 PolarHBondContact O-N 3.46Å
306V44.3Very low46.6Very low77 Ų77127.1 Ų127.147%0.46765%0.652SS.*  trans-90.789.2-179.9-1740000109V304V304-V306 HydrophobicContact CG1-CG2 3.7Å
307E32.5Very low46.1Very low168 Ų168127.8 Ų127.879%0.78565%0.651SS**  trans-78.9117.5166.7-72.9-176.314300109.5N305N305-E307 PolarHBondContact O-N 3.46Å
308E32.5Very low45.5Very low150 Ų150125.2 Ų125.270%0.70163%0.633SS**  trans55.891.6168.9-58.8-169.7158.900118.3Y310E308-Y310 HydrophobicContact CB-CD2 4.32Å; E308-Y310 HydrophobicContact CB-CE2 4.18Å; E308-Y310 PolarHBondContact O-N 3.06Å
309A35.5Very low45.2Very low68 Ų68123.7 Ų123.756%0.56263%0.629SS**  trans-80.2107.2159.800000110.7L291 C311L291-A309 HydrophobicContact CD1-CB 3.89Å; A309-C311 PolarHBondContact O-N 3.29Å
310Y35.1Very low44.9Very low197 Ų197124.6 Ų124.677%0.77363%0.629SS**  trans-79.6108.6173.5-88.3-97.1000111.6E308E308-Y310 HydrophobicContact CB-CD2 4.32Å; E308-Y310 HydrophobicContact CB-CE2 4.18Å; E308-Y310 PolarHBondContact O-N 3.06Å
311C33.9Very low44.3Very low128 Ų128122.7 Ų122.787%0.86561%0.607SS**  trans-81.5124.9164.7-67.60000110.7A309A309-C311 PolarHBondContact O-N 3.29Å
312R39.1Very low43.7Very low203 Ų203118.2 Ų118.277%0.76659%0.591SS**  trans-134.1130.2167.9-108.7-174.5176.7-176.90.3109.2
313N46.2Very low43.6Very low117 Ų117122 Ų12263%0.62661%0.605SS**  trans44.3123.4173-75.4-6.1000118.8Q315N313-Q315 PolarHBondContact O-N 2.93Å
314E52.9Low43.3Very low205 Ų205122.5 Ų122.596%0.95860%0.597SS**THydrogen-bonded Turntrans-66.112.5175.2-54.4177154.900115
315Q51.7Low43.3Very low182 Ų182123.4 Ų123.485%0.8561%0.605SS**THydrogen-bonded Turntrans-129.7-1.2-167.7-68.3-177.7-16.200114.2N313N313-Q315 PolarHBondContact O-N 2.93Å
316E50.5Low43.7Very low106 Ų106120 Ų12050%0.49560%0.596SS.*  trans-113.6117.7176.8-73.8178.1-144.800110Y318E316-Y318 HydrophobicContact CB-CD2 4.49Å; E316-Y318 HydrophobicContact CB-CE1 3.98Å; E316-Y318 HydrophobicContact CB-CE2 3.76Å; E316-Y318 VanDerWaalsContact CB-CZ 3.46Å; E316-Y318 WeakPolarHBondContact CB-OH 3.12Å; E316-Y318 WeakPolarHBondContact O-CD2 3.37Å; E316-Y318 WeakPolarHBondContact O-CE2 3.46Å; E316-Y318 VanDerWaalsContact OE2-CZ 3.32Å; E316-Y318 PolarHBondContact OE2-OH 2.85Å
317E43.9Very low43.7Very low141 Ų141118.3 Ų118.366%0.65959%0.59SS**  trans-74.5130.3168.9-66.3171.8163.500109.2T342E317-T342 HydrophobicContact CB-CG2 3.4Å; E317-T342 VanDerWaalsContact CB-CG2 3.4Å; E317-T342 PolarHBondContact O-N 2.83Å
318Y44.5Very low44.5Very low91 Ų91117.3 Ų117.336%0.35760%0.595SS.*EExtended strand (participates in β ladder)trans-124.8131.6178.8-59.9-69.4000111.1E316 A339 C340E316-Y318 HydrophobicContact CB-CD2 4.49Å; E316-Y318 HydrophobicContact CB-CE1 3.98Å; E316-Y318 HydrophobicContact CB-CE2 3.76Å; E316-Y318 VanDerWaalsContact CB-CZ 3.46Å; E316-Y318 WeakPolarHBondContact CB-OH 3.12Å; E316-Y318 WeakPolarHBondContact O-CD2 3.37Å; E316-Y318 WeakPolarHBondContact O-CE2 3.46Å; E316-Y318 VanDerWaalsContact OE2-CZ 3.32Å; E316-Y318 PolarHBondContact OE2-OH 2.85Å; Y318-A339 HydrophobicContact CD1-CB 3.95Å; Y318-A339 HydrophobicContact CE1-CB 4.46Å; Y318-A339 HydrophobicContact CG-CB 4.21Å; Y318-C340 WeakPolarHBondContact CA-O 3.41Å
319A43.8Very low44.9Very low27 Ų27114.3 Ų114.322%0.22359%0.589CS.*EExtended strand (participates in β ladder)trans-77.9133.816400000110.3F321 K338 C340 V345A319-F321 HydrophobicContact CB-CE2 3.94Å; A319-F321 HydrophobicContact CB-CZ 4.39Å; A319-K338 VanDerWaalsContact O-O 3.1Å; A319-C340 PolarHBondContact N-O 3.16Å; A319-V345 HydrophobicContact CB-CG2 3.74Å
320I49.6Very low45.3Very low90 Ų90117.6 Ų117.646%0.46260%0.603SS.*EExtended strand (participates in β ladder)trans-100.5108.9175.1-65.9173.5000108.5V322 V337I320-V322 HydrophobicContact CG2-CG2 4.03Å; I320-V337 HydrophobicContact CG2-CG1 4.12Å; I320-V337 HydrophobicContact CG2-CG2 4.3Å
321F46.9Very low45.6Very low95 Ų95114.9 Ų114.942%0.41760%0.602SS.*EExtended strand (participates in β ladder)trans-83.8132.1168.9-64.2-89.5000109.7A319 C340A319-F321 HydrophobicContact CB-CE2 3.94Å; A319-F321 HydrophobicContact CB-CZ 4.39Å; F321-C340 HydrophobicContact CE2-CB 4.02Å
322V49.2Very low45.8Very low82 Ų82111.6 Ų111.650%0.49758%0.58SS.*EExtended strand (participates in β ladder)trans-116.496176.4177.60000108.4I320 I335I320-V322 HydrophobicContact CG2-CG2 4.03Å; V322-I335 HydrophobicContact CG1-CG2 4.05Å
323K46.5Very low46Very low112 Ų112103.5 Ų103.549%0.48755%0.553SS.*EExtended strand (participates in β ladder)trans-86.3113.4173.7-171.3170.8-175.1170.70109.9
324Y42.4Very low45.8Very low153 Ų153100.9 Ų100.960%0.654%0.544SS*.EExtended strand (participates in β ladder)trans-79.5124.3169.8177.7-92.2000110A326 V333Y324-A326 HydrophobicContact CE1-CB 4Å; Y324-V333 HydrophobicContact CD2-CG1 3.52Å; Y324-V333 HydrophobicContact CD2-CG2 4.47Å; Y324-V333 HydrophobicContact CE2-CB 4.3Å; Y324-V333 HydrophobicContact CE2-CG1 3.57Å; Y324-V333 HydrophobicContact CE2-CG2 3.67Å
325C48.5Very low45.4Very low61 Ų6193.9 Ų93.941%0.41251%0.513SS..EExtended strand (participates in β ladder)trans-124.1119167.5-164.90000109A327C325-A327 PolarHBondContact O-N 2.94Å
326A47.8Very low45.2Very low68 Ų6889.4 Ų89.456%0.56250%0.498SS*.EExtended strand (participates in β ladder)trans-71.8108.8167.400000107.9Y324Y324-A326 HydrophobicContact CE1-CB 4Å
327A44.9Very low44.9Very low40 Ų4088.2 Ų88.233%0.33150%0.498SS..  trans-64.6160177.700000111C325 C329 S332C325-A327 PolarHBondContact O-N 2.94Å; A327-C329 PolarHBondContact O-N 3.06Å; A327-C329 VanDerWaalsContact O-N 3.09Å; A327-S332 WeakPolarHBondContact CB-O 3.4Å; A327-S332 PolarHBondContact N-O 2.84Å
328V49Very low45.4Very low148 Ų14887.9 Ų87.990%0.89749%0.494SS*.SBendtrans-63.7-13.7175.6-1780000112
329C40.2Very low45.5Very low86 Ų8686.6 Ų86.658%0.58150%0.503SS*.SBendtrans-96.2133.6167.3-62.20000110.1A327 D331A327-C329 PolarHBondContact O-N 3.06Å; A327-C329 VanDerWaalsContact O-N 3.09Å; C329-D331 PolarHBondContact O-N 2.87Å
330T44.1Very low45.8Very low138 Ų13886.5 Ų86.585%0.84750%0.5SS*.THydrogen-bonded Turntrans-63.3-9.8-174.546.30000115.9
331D42.6Very low46.1Very low139 Ų13984.6 Ų84.674%0.74350%0.495SS*.THydrogen-bonded Turntrans-119.16.2-160.9-55.1-1.3000112.5C329C329-D331 PolarHBondContact O-N 2.87Å
332S36.6Very low46.3Very low60 Ų6083.3 Ų83.342%0.4249%0.494SS..  trans-137.2136.7179.357.70000114.1A327A327-S332 WeakPolarHBondContact CB-O 3.4Å; A327-S332 PolarHBondContact N-O 2.84Å
333V43.1Very low46.6Very low32 Ų3284.4 Ų84.419%0.19451%0.506CS..EExtended strand (participates in β ladder)trans-117.8125.6172.3176.20000106.9V302 Y324 I335V302-V333 HydrophobicContact CG1-CB 4.13Å; V302-V333 HydrophobicContact CG1-CG2 3.94Å; Y324-V333 HydrophobicContact CD2-CG1 3.52Å; Y324-V333 HydrophobicContact CD2-CG2 4.47Å; Y324-V333 HydrophobicContact CE2-CB 4.3Å; Y324-V333 HydrophobicContact CE2-CG1 3.57Å; Y324-V333 HydrophobicContact CE2-CG2 3.67Å; V333-I335 HydrophobicContact CG1-CG1 4.43Å
334S43.9Very low46.9Very low62 Ų6283.9 Ų83.943%0.43451%0.512SS..EExtended strand (participates in β ladder)trans-88.5133.5167.453.50000109.7
335I42.6Very low46.9Very low58 Ų5878.9 Ų78.930%0.29750%0.497SS..EExtended strand (participates in β ladder)trans-111.5120168.4-63.7-177.2000107L298 V304 V322 V333 V337L298-I335 HydrophobicContact CD1-CD1 4.4Å; V304-I335 HydrophobicContact CB-CD1 4.48Å; V304-I335 HydrophobicContact CG1-CD1 3.78Å; V304-I335 HydrophobicContact CG2-CD1 3.81Å; V322-I335 HydrophobicContact CG1-CG2 4.05Å; V333-I335 HydrophobicContact CG1-CG1 4.43Å; I335-V337 HydrophobicContact CG2-CG2 4.17Å
336T47.5Very low46.7Very low88 Ų8879.5 Ų79.554%0.5450%0.5SS..EExtended strand (participates in β ladder)trans-101109.1170.9-53.10000108.8
337V44.1Very low46.4Very low81 Ų8182.1 Ų82.149%0.49151%0.514SS..EExtended strand (participates in β ladder)trans-86123169.11720000108.4I320 I335I320-V337 HydrophobicContact CG2-CG1 4.12Å; I320-V337 HydrophobicContact CG2-CG2 4.3Å; I335-V337 HydrophobicContact CG2-CG2 4.17Å
338K54.4Low45.9Very low134 Ų13484 Ų8458%0.58352%0.524SS*.EExtended strand (participates in β ladder)trans-120.4120.9172-173.4-178.8178.8-173.90108.8A319A319-K338 VanDerWaalsContact O-O 3.1Å
339A46.7Very low45.1Very low65 Ų6580.4 Ų80.454%0.53751%0.506SS..EExtended strand (participates in β ladder)trans-76.4128.717000000109.7Y318Y318-A339 HydrophobicContact CD1-CB 3.95Å; Y318-A339 HydrophobicContact CE1-CB 4.46Å; Y318-A339 HydrophobicContact CG-CB 4.21Å
340C50.4Low44.7Very low24 Ų2486.9 Ų86.916%0.16252%0.52CS..EExtended strand (participates in β ladder)trans-126.4136.9172.4-67.20000108.5Y318 A319 F321Y318-C340 WeakPolarHBondContact CA-O 3.41Å; A319-C340 PolarHBondContact N-O 3.16Å; F321-C340 HydrophobicContact CE2-CB 4.02Å
341S55.8Low44.1Very low51 Ų5186 Ų8636%0.35752%0.518SS..EExtended strand (participates in β ladder)trans-64.8143174.555.10000110.8S343 V344S341-S343 PolarHBondContact O-N 3.44Å; S341-S343 PolarHBondContact OG-OG 3.09Å; S341-V344 PolarHBondContact O-N 2.89Å
342T51.4Low43.8Very low67 Ų6786.7 Ų86.741%0.41152%0.517SS..G310 helixtrans-58-23.2-179.6370000114.5E317 V344 V345E317-T342 HydrophobicContact CB-CG2 3.4Å; E317-T342 VanDerWaalsContact CB-CG2 3.4Å; E317-T342 PolarHBondContact O-N 2.83Å; T342-V344 PolarHBondContact O-N 2.93Å; T342-V344 VanDerWaalsContact O-N 3.07Å; T342-V345 PolarHBondContact O-N 3.16Å; T342-V345 VanDerWaalsContact O-N 3.11Å
343S55.7Low43.6Very low106 Ų10688.7 Ų88.774%0.74153%0.53SS*.G310 helixtrans-59.4-13.8169.956.80000115.6S341S341-S343 PolarHBondContact O-N 3.44Å; S341-S343 PolarHBondContact OG-OG 3.09Å
344V53.1Low43.2Very low101 Ų10192.4 Ų92.461%0.61255%0.553SS**G310 helixtrans-105.5-6.3-179.7-176.70000111.8S341 T342 P346S341-V344 PolarHBondContact O-N 2.89Å; T342-V344 PolarHBondContact O-N 2.93Å; T342-V344 VanDerWaalsContact O-N 3.07Å; V344-P346 VanDerWaalsContact O-CD 3.28Å; V344-P346 WeakPolarHBondContact O-CD 3.49Å
345V42.6Very low42.6Very low48 Ų4898.1 Ų98.129%0.29157%0.573SS.*SBendtrans-100.8103-177.8-173.90000108.9A319 T342A319-V345 HydrophobicContact CB-CG2 3.74Å; T342-V345 PolarHBondContact O-N 3.16Å; T342-V345 VanDerWaalsContact O-N 3.11Å
346P44.2Very low42.3Very low73 Ų73101.5 Ų101.547%0.47460%0.596SS.*  trans-62.7139.6171.426.7-32.3000109.2V344 C348 S349V344-P346 VanDerWaalsContact O-CD 3.28Å; V344-P346 WeakPolarHBondContact O-CD 3.49Å; P346-C348 PolarHBondContact O-N 3.37Å; P346-S349 PolarHBondContact O-N 3.19Å
347S41.9Very low41.6Very low123 Ų123106.4 Ų106.486%0.8661%0.613SS**THydrogen-bonded Turntrans-62.78.2-168.145.40000116.6
348C33.6Very low41.1Very low79 Ų79105.2 Ų105.253%0.53462%0.617SS.*THydrogen-bonded Turntrans-139.612.6-167.1-41.40000112.8P346 Y350 D377P346-C348 PolarHBondContact O-N 3.37Å; C348-Y350 PolarHBondContact O-N 2.93Å; C348-Y350 VanDerWaalsContact O-N 3.12Å; C348-D377 PolarHBondContact SG-OD2 3.33Å
349S32.3Very low40.2Very low74 Ų74105.3 Ų105.352%0.51763%0.629SS.*  trans-77.597.8-170.464.30000114.4P346P346-S349 PolarHBondContact O-N 3.19Å
350Y33.1Very low39.9Very low221 Ų221106.7 Ų106.787%0.86763%0.634SS**  trans-75.7137.9159-115.1-97.9000110.2C348C348-Y350 PolarHBondContact O-N 2.93Å; C348-Y350 VanDerWaalsContact O-N 3.12Å
351C30.6Very low39.8Very low120 Ų120114.7 Ų114.781%0.81167%0.669SS**  trans-92.1115177.4-161.20000110.6
352E35.5Very low39.4Very low154 Ų154118.7 Ų118.772%0.7269%0.686SS**  trans-82.7145.5176.1-168.1169.5-157.500111V354E352-V354 PolarHBondContact O-N 2.86Å
353S33.1Very low38.8Very low101 Ų101119.5 Ų119.571%0.70671%0.707SS**  trans-67.6131.3-17250.80000113.2E355S353-E355 PolarHBondContact O-N 3.4Å
354V34.2Very low38Very low111 Ų111118.4 Ų118.467%0.67370%0.7SS**  trans-74.3110.8169178.30000109.7E352E352-V354 PolarHBondContact O-N 2.86Å
355E32Very low37.1Very low181 Ų181123.1 Ų123.185%0.84672%0.715SS**  trans-72.7124.4164.3-66.2-167.6138.300110.2S353S353-E355 PolarHBondContact O-N 3.4Å
356T35.5Very low36.8Very low129 Ų129128 Ų12879%0.79173%0.732SS**  trans-98.4104.3170.453.20000109.7
357E34.4Very low36.2Very low191 Ų191132.9 Ų132.989%0.89375%0.749SS**  trans-86120.7178.3-165.6179.5-153.500111.4
358G33.7Very low35.8Very low56 Ų56130.8 Ų130.858%0.57774%0.739SS**  trans79.1124.2160.300000118.3
359V35.1Very low35.7Very low137 Ų137136 Ų13683%0.8375%0.752SS**  trans-94.8111.4163.8177.60000109.2
360C40.5Very low35.7Very low94 Ų94140.9 Ų140.964%0.63577%0.767SS**  trans-79.2143.1162.5-79.30000110.4D362C360-D362 PolarHBondContact O-N 3.45Å
361Q48.1Very low35.5Very low192 Ų192139 Ų13990%0.89776%0.763SS**THydrogen-bonded Turntrans-80.4-1.7-168.5-146.9168.524.100114.1
362D46.8Very low35.4Very low135 Ų135138.8 Ų138.872%0.72276%0.758SS**THydrogen-bonded Turntrans-109.62.7-154.9-56.6-14.2000114.4C360 S364C360-D362 PolarHBondContact O-N 3.45Å; D362-S364 VanDerWaalsContact C-N 3.33Å; D362-S364 PolarHBondContact O-N 3.35Å
363G39.9Very low35Very low83 Ų83136.6 Ų136.686%0.85675%0.75SS**  trans70.715.7168.600000116.8
364S37.8Very low34.8Very low84 Ų84136.7 Ų136.759%0.58775%0.746SS**PPolyproline II helixtrans-92155176.747.80000112.9D362D362-S364 VanDerWaalsContact C-N 3.33Å; D362-S364 PolarHBondContact O-N 3.35Å
365H34.9Very low34.7Very low200 Ų200138.7 Ų138.793%0.92675%0.753SS**PPolyproline II helixtrans-56.1141.9-168.8-68.7-95.6000115
366F35.1Very low35.1Very low149 Ų149137.2 Ų137.265%0.65475%0.75SS**PPolyproline II helixtrans-95130.5167.7-66-88.3000111.3
367E31.7Very low35Very low176 Ų176137.3 Ų137.382%0.82275%0.746SS**  trans-95.7110.9166.2-175.1-179.7-149.900108.7K369E367-K369 PolarHBondContact O-N 3.3Å
368A33.9Very low35.4Very low79 Ų79133.1 Ų133.165%0.65374%0.738SS**  trans-84.6113.5177.500000110.3E370A368-E370 PolarHBondContact O-N 3.26Å
369K31.9Very low35.3Very low188 Ų188134 Ų13482%0.81775%0.747SS**  trans-77.599.3171-75.6-177.8178173.80110.4E367 K371E367-K369 PolarHBondContact O-N 3.3Å; K369-K371 PolarHBondContact O-N 3.27Å
370E32.3Very low35.3Very low178 Ų178133.8 Ų133.883%0.83275%0.746SS**  trans-70.7122.2168.1-171.9165.1-140.900109.3A368A368-E370 PolarHBondContact O-N 3.26Å
371K28.2Very low34.8Very low180 Ų180138.9 Ų138.978%0.78376%0.758SS**  trans-119.196.7178.8-165.4-176.5-177.2-169.10108.9K369 I373K369-K371 PolarHBondContact O-N 3.27Å; K371-I373 PolarHBondContact O-N 3.25Å
372V29.6Very low34Very low116 Ų116137 Ų13770%0.70375%0.748SS**  trans-74.1123.9174.5-177.60000108.6V374V372-V374 HydrophobicContact CG1-CG2 4.04Å
373I25.7Very low33.5Very low108 Ų108136 Ų13655%0.55475%0.752SS**  trans-108118.3169.4-57.7177.5000106.8K371 L375K371-I373 PolarHBondContact O-N 3.25Å; I373-L375 HydrophobicContact CG2-CD2 4.41Å
374V30.8Very low33.2Very low103 Ų103139.4 Ų139.462%0.62475%0.746SS**PPolyproline II helixtrans-100.5127.5171.7-1760000107.1V372V372-V374 HydrophobicContact CG1-CG2 4.04Å
375L30.9Very low33.2Very low153 Ų153142 Ų14280%0.80176%0.762SS**PPolyproline II helixtrans-102.7124.1171.7-66.9174.7000108.4I373I373-L375 HydrophobicContact CG2-CD2 4.41Å
376D40Very low33.4Very low150 Ų150137.5 Ų137.580%0.80276%0.76SS**PPolyproline II helixtrans-78.7127.5-177.8-106.9-25.1000111.5S378D376-S378 PolarHBondContact O-N 3.35Å
377D34.4Very low33.4Very low131 Ų131133.7 Ų133.770%0.70176%0.763SS**  trans-82.463.2-174.4-147.9-8.5000111.8C348 G379C348-D377 PolarHBondContact SG-OD2 3.33Å; D377-G379 PolarHBondContact O-N 3.05Å
378S41.5Very low33.6Very low104 Ų104131.1 Ų131.173%0.72776%0.762SS**  trans-95.865.7-177.954.20000112.4D376 V380D376-S378 PolarHBondContact O-N 3.35Å; S378-V380 PolarHBondContact O-N 2.85Å
379G32.2Very low33.8Very low74 Ų74132.6 Ų132.676%0.76377%0.767SS**  trans-67.395.1174.800000113.6D377D377-G379 PolarHBondContact O-N 3.05Å
380V35.1Very low33.9Very low132 Ų132134.1 Ų134.180%0.877%0.769SS**  trans-136.1117.3161-177.10000110.2S378S378-V380 PolarHBondContact O-N 2.85Å
381F29.9Very low34.2Very low202 Ų202134.5 Ų134.589%0.88677%0.768SS**  trans-79121170.1-105.7-96.6000110.3
382E32.1Very low34.8Very low151 Ų151130.6 Ų130.671%0.70676%0.756SS**  trans-15198.5154.9-144-179.5-176.200112.6Q384E382-Q384 HydrophobicContact CG-CG 4.25Å; E382-Q384 PolarHBondContact OE1-NE2 3.31Å
383S36.7Very low35.5Very low114 Ų114135.7 Ų135.780%0.79776%0.763SS**  trans-102.668.2175.346.60000111.6C385S383-C385 PolarHBondContact O-N 3.42Å
384Q33.3Very low36.5Very low156 Ų156134.9 Ų134.973%0.72977%0.766SS**  trans-88.397.7168.7-68.1-163.742.800111.4E382E382-Q384 HydrophobicContact CG-CG 4.25Å; E382-Q384 PolarHBondContact OE1-NE2 3.31Å
385C36.4Very low37.2Very low137 Ų137136.5 Ų136.593%0.92677%0.772SS**  trans-159.9133.3152.3-113.80000110.3S383S383-C385 PolarHBondContact O-N 3.42Å
386A39.4Very low37.9Very low106 Ų106138.3 Ų138.388%0.87677%0.774SS**  trans-110.3135.3-162.100000114.6
387G36.1Very low38.3Very low70 Ų70140.1 Ų140.172%0.72278%0.777SS**  trans100.7160.5150.900000117.5
388P35.3Very low38.8Very low122 Ų122140.4 Ų140.479%0.79278%0.779SS**  cis-129.9145.2-23.337.1-22000114.9
389S38Very low39.1Very low109 Ų109140.9 Ų140.976%0.76278%0.782SS**  trans22.5122.5151.462.90000121.7
390Y33.9Very low39.7Very low220 Ų220145.7 Ų145.786%0.86379%0.789SS**  trans51.9100.8134.2-107.6-99.8000118
391F38.1Very low40.1Very low187 Ų187150.1 Ų150.182%0.8279%0.792SS**  trans-108.8117.4152.3-135-92.2000108.3
392D42.2Very low40.9Very low97 Ų97148 Ų14852%0.51979%0.789SS.*  trans-81.2123.6175.7-168.3-15.7000109S394D392-S394 VanDerWaalsContact C-N 3.34Å; D392-S394 WeakPolarHBondContact OD1-CB 3.48Å; D392-S394 PolarHBondContact OD1-N 3.44Å; D392-S394 PolarHBondContact OD1-OG 3.28Å
393W44.1Very low41.7Very low224 Ų224150.2 Ų150.285%0.84880%0.8SS**  trans-92.26.6-178.9-79.672.4000113D395W393-D395 VanDerWaalsContact C-N 3.33Å; W393-D395 PolarHBondContact O-N 3.24Å
394S47Very low41.9Very low90 Ų90148.2 Ų148.263%0.62980%0.798SS**THydrogen-bonded Turntrans-74.7-13.1-172.3-53.10000115.4D392D392-S394 VanDerWaalsContact C-N 3.34Å; D392-S394 WeakPolarHBondContact OD1-CB 3.48Å; D392-S394 PolarHBondContact OD1-N 3.44Å; D392-S394 PolarHBondContact OD1-OG 3.28Å
395D44.9Very low42.5Very low138 Ų138148 Ų14874%0.73880%0.801SS**THydrogen-bonded Turntrans-98.3-0.4-169.1-86.2-29.3000116.2W393W393-D395 VanDerWaalsContact C-N 3.33Å; W393-D395 PolarHBondContact O-N 3.24Å
396F44.8Very low42.7Very low191 Ų191151.1 Ų151.184%0.83880%0.8SS**G310 helixtrans-84.2-7.8-174.5-144.3-97.1000115.6
397E48.9Very low43Very low188 Ų188151.2 Ų151.288%0.87979%0.791SS**G310 helixtrans-84.4-6.6-177.2-75-158.9136.100115.4
398N45.4Very low43.3Very low137 Ų137159.3 Ų159.373%0.73380%0.802SS**G310 helixtrans-98.35.5-168-87.6-42.9000117.3
399S48.2Very low43.6Very low114 Ų114163.2 Ų163.280%0.79781%0.806SS**SBendtrans-106.5-0.3-173.6-155.10000116.4
400L44.7Very low43.3Very low175 Ų175162.4 Ų162.492%0.91680%0.8SS**  trans-114.166176.6-86.9125.8000112.5
401R42.8Very low43.3Very low225 Ų225162.8 Ų162.885%0.84980%0.8SS**  trans-101.894.7158.7-76.5-171.1177.2-162.21.6110.3
402N46.3Very low42.9Very low157 Ų157161.1 Ų161.184%0.8480%0.795SS**  trans-170.1139.2137.6-95.1-21.7000110.9
403E48.9Very low42.5Very low197 Ų197162.4 Ų162.492%0.92180%0.8SS**  trans64.2105168.3-55.1-164.5165.400119.8
404G41.3Very low42.1Very low73 Ų73160.6 Ų160.675%0.75380%0.799SS**  106.690.7124.600000119.5
405N45.9Very low41.7Very low151 Ų151166.4 Ų166.481%0.80781%0.808SS**  trans36.2112.2147.9-70-16.1000119.9
406F40.7Very low41.2Very low203 Ų203164.6 Ų164.689%0.8981%0.812SS**  -177.3142.8103.5-102-75.9000109.8
407P45.2Very low40.9Very low108 Ų108165.1 Ų165.170%0.70181%0.814SS**  trans-100.8121-174.634.8-27.6000112.8
408Y43.3Very low40.7Very low240 Ų240160.4 Ų160.494%0.94181%0.808SS**  trans-136.4131156.2-102.2-84.2000111
409K41Very low41Very low204 Ų204166.7 Ų166.789%0.88783%0.833SS**  trans-73.7125.7-176.2-70.4178173.9179.40110.8
410S31.8Very low40.6Very low91 Ų91169.4 Ų169.464%0.63684%0.835SS**  trans-65.4144.6160.2-1730000110.3
411R33.4Very low40.4Very low229 Ų229169.1 Ų169.186%0.86483%0.83SS**  trans-126.8107163.6-86.1-172174-178.7-1.8107.5
412H30.7Very low40.2Very low151 Ų151165.9 Ų165.970%0.69983%0.829SS**  trans-71.1135165.4-67.1-102.2000108.8F414H412-F414 HydrophobicContact CB-CE2 4.15Å
413I33Very low39.9Very low125 Ų125166.5 Ų166.564%0.64183%0.829SS**  trans-116.3115166.4-62.2178.7000106.1Y415I413-Y415 HydrophobicContact CG2-CD2 4.23Å; I413-Y415 HydrophobicContact CG2-CE2 3.73Å
414F36.1Very low39.3Very low185 Ų185164.6 Ų164.681%0.81182%0.823SS**  trans-84.1137169.8-62.8-94.2000108.4H412H412-F414 HydrophobicContact CB-CE2 4.15Å
415Y38.2Very low39.2Very low212 Ų212170.7 Ų170.783%0.83183%0.828SS**  trans-107.7118.2163.8-75-81.8000108.4I413I413-Y415 HydrophobicContact CG2-CD2 4.23Å; I413-Y415 HydrophobicContact CG2-CE2 3.73Å
416A34.8Very low38.7Very low100 Ų100172.1 Ų172.183%0.82683%0.829SS**PPolyproline II helixtrans-81.4138.1168.600000109.1
417K38.4Very low38.6Very low202 Ų202169.7 Ų169.788%0.87882%0.824SS**PPolyproline II helixtrans-80.2122.3165.8-176.3-179.8179.1-172.60107.5
418A44.4Very low38Very low89 Ų89174.8 Ų174.874%0.73683%0.834SS**PPolyproline II helixtrans-84.5148.3162.300000108.8
419E51.3Low37.5Very low270 Ų270168.9 Ų168.9100%1.26283%0.825SS**  trans-69.80175.6-64.7178.9135.700112.1

Retrieved 419 of 419 residues in 374.8 ms (Link to these results)