A0A096NWR5_PAPAN Loading...

LIM homeobox transcription factor 1-alpha

Acts as a transcriptional activator by binding to an A/T-rich sequence, the FLAT element, in the insulin gene promoter. Required for development of the roof plate and, in turn, for specification of dorsal cell fates in the CNS and developing vertebrae.

AlphaFold DB (Q8TE12), UniProt , Accession A0A096NWR5, Species PAPAN (Papio anubis, Olive baboon), Gene LMX1A, Length 382 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.1Very low66.9Low208 Ų20895.4 Ų95.4100%1.02549%0.485SS*.  0123.70-71.6-176.6-99.200105.3F74M1-F74 HydrophobicContact CG-CE1 4.36Å; M1-F74 HydrophobicContact CG-CZ 4.16Å
2L52.4Low66.5Low80 Ų8094.5 Ų94.542%0.41948%0.477SS..PPolyproline II helixtrans-97.4135178.9-73.6158.7000107.1
3D54.4Low65.3Low146 Ų14691.5 Ų91.578%0.78147%0.47SS*.PPolyproline II helixtrans-50.1141.9-174.8-73.2-57.6000112.2
4G64.8Low64.1Low48 Ų4890.4 Ų90.450%0.49548%0.482SS..PPolyproline II helixtrans-53.8153.5-161.700000115.9K6G4-K6 PolarHBondContact O-N 3.25Å; G4-K6 VanDerWaalsContact O-N 3.15Å
5L71.8Confident63.2Low27 Ų2791.8 Ų91.814%0.14149%0.488CS..PPolyproline II helixtrans-51.6116.4168.8-80143000109.7L48 L50 V60 L69 C73L5-L48 HydrophobicContact CD2-CB 4.16Å; L5-L48 HydrophobicContact CD2-CD2 3.74Å; L5-L50 HydrophobicContact CB-CD2 4.46Å; L5-L50 HydrophobicContact CD2-CD1 3.54Å; L5-L50 HydrophobicContact CD2-CD2 3.92Å; L5-L50 HydrophobicContact CD2-CG 3.52Å; L5-L50 HydrophobicContact CG-CD1 4.13Å; L5-L50 HydrophobicContact CG-CD2 3.76Å; L5-L50 HydrophobicContact CG-CG 3.97Å; L5-V60 HydrophobicContact CD1-CG1 3.89Å; L5-V60 HydrophobicContact CD2-CB 4.45Å; L5-V60 HydrophobicContact CD2-CG1 3.5Å; L5-V60 HydrophobicContact CD2-CG2 4.04Å; L5-V60 HydrophobicContact CG-CG1 4.36Å; L5-L69 HydrophobicContact CD1-CB 4.33Å; L5-L69 WeakPolarHBondContact CD1-O 3.25Å; L5-C73 HydrophobicContact CD1-CB 4.2Å
6K77.6Confident62.2Low124 Ų12494.5 Ų94.554%0.53950%0.503SS..EExtended strand (participates in β ladder)trans-104.1120.3174-167.3-177.1173.2-1490109.2G4 E8 R49G4-K6 PolarHBondContact O-N 3.25Å; G4-K6 VanDerWaalsContact O-N 3.15Å; K6-E8 HydrophobicContact CD-CG 4.33Å; K6-E8 HydrophobicContact CG-CG 4.28Å; K6-E8 IonicContact NZ-OE1 3.71Å; K6-E8 PolarHBondContact NZ-OE1 2.68Å; K6-R49 PolarHBondContact N-O 3.15Å; K6-R49 PolarHBondContact O-N 3.23Å
7M77.6Confident61.1Low102 Ų10296.9 Ų96.950%0.50252%0.522SS..EExtended strand (participates in β ladder)trans-78.9124.3171.9-162.2169-166.200108.4F46M7-F46 HydrophobicContact CE-CB 3.37Å; M7-F46 HydrophobicContact CE-CD1 4.18Å; M7-F46 HydrophobicContact CE-CD2 4.06Å; M7-F46 HydrophobicContact CE-CG 3.63Å; M7-F46 HydrophobicContact CG-CB 4.15Å; M7-F46 HydrophobicContact CG-CD1 4.48Å
8E80Confident60.2Low53 Ų5397.6 Ų97.625%0.24854%0.535CS..EExtended strand (participates in β ladder)trans-120.4140.3175.8-60.4-167.9140.900108.8K6 N10 L47 R49K6-E8 HydrophobicContact CD-CG 4.33Å; K6-E8 HydrophobicContact CG-CG 4.28Å; K6-E8 IonicContact NZ-OE1 3.71Å; K6-E8 PolarHBondContact NZ-OE1 2.68Å; E8-N10 PolarHBondContact O-N 3.26Å; E8-L47 HydrophobicContact CB-CD1 4.11Å; E8-L47 PolarHBondContact N-O 3.04Å; E8-L47 PolarHBondContact O-N 2.89Å; E8-R49 WeakPolarHBondContact OE2-CD 3.27Å
9E77.5Confident59.4Low93 Ų9395.2 Ų95.244%0.43553%0.53SS..EExtended strand (participates in β ladder)trans-64.9122.2170.3-82.2-170.8144.700108.7F11 R45 F46E9-F11 HydrophobicContact CB-CE1 4.49Å; E9-F11 HydrophobicContact CB-CE2 4.27Å; E9-F11 HydrophobicContact CB-CZ 4.17Å; E9-F11 VanDerWaalsContact O-CD2 3.25Å; E9-F11 WeakPolarHBondContact O-CD2 3.47Å; E9-F11 PolarHBondContact O-N 3.06Å; E9-R45 IonicContact OE1-NH2 3.71Å; E9-R45 PolarHBondContact OE1-NH2 2.83Å; E9-F46 HydrophobicContact CG-CD1 3.65Å; E9-F46 HydrophobicContact CG-CE1 3.34Å; E9-F46 HydrophobicContact CG-CZ 4.38Å
10N72.5Confident58.8Low11 Ų1196.5 Ų96.56%0.05955%0.546CS..  trans-7890.5171.9-17319.9000107.6E8 Q12 S13 I42 D44 R45 L47E8-N10 PolarHBondContact O-N 3.26Å; N10-Q12 PolarHBondContact O-N 2.86Å; N10-Q12 WeakPolarHBondContact OD1-CB 3.44Å; N10-S13 PolarHBondContact O-N 3.16Å; N10-I42 PolarHBondContact ND2-O 2.96Å; N10-I42 VanDerWaalsContact ND2-O 3.09Å; N10-D44 WeakPolarHBondContact CB-O 3.33Å; N10-D44 PolarHBondContact ND2-O 3.44Å; N10-R45 WeakPolarHBondContact CB-O 3.39Å; N10-R45 PolarHBondContact N-O 2.97Å; N10-L47 HydrophobicContact CB-CB 4.41Å; N10-L47 HydrophobicContact CB-CD2 3.85Å; N10-L47 HydrophobicContact CB-CG 4.03Å
11F62.4Low58.1Low157 Ų157101.2 Ų101.269%0.68956%0.561SS**G310 helixtrans-58.7-6.3179.5-66.4-79.3000114E9E9-F11 HydrophobicContact CB-CE1 4.49Å; E9-F11 HydrophobicContact CB-CE2 4.27Å; E9-F11 HydrophobicContact CB-CZ 4.17Å; E9-F11 VanDerWaalsContact O-CD2 3.25Å; E9-F11 WeakPolarHBondContact O-CD2 3.47Å; E9-F11 PolarHBondContact O-N 3.06Å
12Q61.9Low58Low85 Ų8596.3 Ų96.340%0.39755%0.547SS..G310 helixtrans-75.9-25.9177.5-134.874.439.900114.1N10 A14 S30N10-Q12 PolarHBondContact O-N 2.86Å; N10-Q12 WeakPolarHBondContact OD1-CB 3.44Å; Q12-A14 PolarHBondContact O-N 2.83Å; Q12-A14 VanDerWaalsContact O-N 3.16Å; Q12-S30 PolarHBondContact NE2-OG 2.91Å
13S50.9Low57.7Low55 Ų5598.1 Ų98.139%0.38557%0.566SS.*G310 helixtrans-69.5-11.4-178.974.20000113.2N10N10-S13 PolarHBondContact O-N 3.16Å
14A49.2Very low57.5Low77 Ų7799.2 Ų99.264%0.63657%0.571SS**G310 helixtrans-88.6-3.9-176.200000114.6Q12Q12-A14 PolarHBondContact O-N 2.83Å; Q12-A14 VanDerWaalsContact O-N 3.16Å
15I49.8Very low56.5Low111 Ų111104.5 Ų104.557%0.56959%0.587SS**SBendtrans-108.9-11.6-172.7-52.3-178.6000113.7T17I15-T17 PolarHBondContact O-N 3.48Å
16D46.6Very low55.1Low135 Ų135107.6 Ų107.672%0.72263%0.625SS**THydrogen-bonded Turntrans-97.327.8-178-80.4-26.4000115.4
17T44.1Very low53.5Low135 Ų135112.3 Ų112.383%0.82864%0.64SS**THydrogen-bonded Turntrans-92.4-1.3161.3-12.60000113.4I15I15-T17 PolarHBondContact O-N 3.48Å
18S44.6Very low52Low109 Ų109112 Ų11276%0.76265%0.653SS**SBendtrans-163.973.8178.154.30000112.5
19A45.2Very low50.7Low52 Ų52115.1 Ų115.143%0.4368%0.676SS.*  trans-149.250.5167.500000113.3F21A19-F21 PolarHBondContact O-N 2.98Å
20S47.1Very low49.7Very low122 Ų122113.1 Ų113.185%0.85367%0.672SS**SBendtrans-718.5155.2-63.10000113.2
21F45Very low49.2Very low196 Ų196118.4 Ų118.486%0.8671%0.707SS**  trans-144.963.6-177.3-87.1-83.9000112.3A19A19-F21 PolarHBondContact O-N 2.98Å
22S43Very low49.9Very low105 Ų105117.3 Ų117.373%0.73470%0.702SS**  trans-145.552164.2-77.20000111.8
23S45.6Very low51.2Low117 Ų117114.4 Ų114.482%0.81869%0.691SS**SBendtrans-103.680.8156.8-63.10000107
24L50.4Low53.1Low169 Ų169114.7 Ų114.789%0.88569%0.69SS**SBendtrans-176.2-3.1162.4-102.9152.6000116.7
25L43.2Very low55.2Low159 Ų159111 Ų11183%0.83266%0.66SS**SBendtrans-128.6124.2172.5-72.1164.7000108.5R27L25-R27 PolarHBondContact O-N 3.19Å
26G42.3Very low57.2Low92 Ų92107.6 Ų107.695%0.94864%0.642SS**  trans-64.555.9179.700000113.2A28G26-A28 PolarHBondContact O-N 3.23Å
27R45.3Very low59.2Low224 Ų224103.2 Ų103.285%0.84563%0.628SS**  trans-71.7113.6172.2-156.5170.7-177.2157.10105.5L25 V29L25-R27 PolarHBondContact O-N 3.19Å; R27-V29 PolarHBondContact O-N 3.09Å
28A44.5Very low61.4Low95 Ų9599 Ų9979%0.78560%0.604SS**  trans-43.4105.1174.500000108.8G26 S30G26-A28 PolarHBondContact O-N 3.23Å; A28-S30 PolarHBondContact O-N 2.85Å
29V53.1Low63.6Low118 Ų11899.4 Ų99.472%0.71559%0.594SS**  trans-62.2109175.6174.90000104.6R27R27-V29 PolarHBondContact O-N 3.09Å
30S57.6Low65.8Low52 Ų52105.8 Ų105.836%0.36461%0.607SS.*PPolyproline II helixtrans-51.3135.2174.347.70000108.2Q12 A28 K32Q12-S30 PolarHBondContact NE2-OG 2.91Å; A28-S30 PolarHBondContact O-N 2.85Å; S30-K32 PolarHBondContact O-N 3.07Å
31P60.9Low67.9Low121 Ų121102.8 Ų102.879%0.78658%0.583SS**PPolyproline II helixtrans-57.1116.7-175.723-32.2000108.5S33P31-S33 PolarHBondContact O-N 2.96Å
32K77.1Confident70.1Confident134 Ų13493.7 Ų93.758%0.58354%0.543SS*.PPolyproline II helixtrans-58.4123177.6-67178.8178.7-179.20107.8S30 V34 V41S30-K32 PolarHBondContact O-N 3.07Å; K32-V34 WeakPolarHBondContact O-CG2 3.42Å; K32-V34 PolarHBondContact O-N 2.81Å; K32-V34 VanDerWaalsContact O-N 3.08Å; K32-V41 HydrophobicContact CB-CG1 3.86Å; K32-V41 HydrophobicContact CB-CG2 4.12Å; K32-V41 HydrophobicContact CD-CG1 4.32Å; K32-V41 HydrophobicContact CD-CG2 4.24Å; K32-V41 HydrophobicContact CG-CG1 4.45Å
33S89.3Confident72.2Confident24 Ų2494.9 Ų94.917%0.16854%0.541CS..  trans-61.3112.7177.1-53.80000109.3P31 I42P31-S33 PolarHBondContact O-N 2.96Å; S33-I42 PolarHBondContact O-N 3.26Å
34V91.6Very high74Confident61 Ų6192.4 Ų92.437%0.3752%0.518SS..BIsolated β-bridgetrans-96133.8178.6-177.50000108.9K32 E36 V41K32-V34 WeakPolarHBondContact O-CG2 3.42Å; K32-V34 PolarHBondContact O-N 2.81Å; K32-V34 VanDerWaalsContact O-N 3.08Å; V34-E36 PolarHBondContact O-N 3.34Å; V34-V41 HydrophobicContact CG2-CG2 4.42Å
35C92.8Very high75.7Confident0 Ų091.7 Ų91.70%050%0.504CS..BIsolated β-bridgetrans-71.1122.9174.9176.30000110.7G37 Q39 R40 I42 F54 H56 C59C35-G37 PolarHBondContact O-N 3.08Å; C35-G37 PolarHBondContact SG-N 2.84Å; C35-G37 VanDerWaalsContact SG-N 3.43Å; C35-Q39 WeakPolarHBondContact O-CA 3.44Å; C35-Q39 PolarHBondContact O-N 2.96Å; C35-R40 WeakPolarHBondContact CB-O 3.49Å; C35-R40 PolarHBondContact N-O 3.44Å; C35-I42 HydrophobicContact CB-CD1 4.06Å; C35-I42 HydrophobicContact CB-CG1 3.8Å; C35-F54 CarbonylContact C-O 3.58Å; C35-F54 VanDerWaalsContact CA-O 3.27Å; C35-F54 WeakPolarHBondContact CA-O 3.13Å; C35-H56 WeakPolarHBondContact CB-CE1 3.42Å; C35-H56 WeakPolarHBondContact CB-ND1 3.29Å; C35-H56 PolarHBondContact SG-ND1 3.22Å; C35-C59 VanDerWaalsContact SG-SG 3.65Å
36E91.5Very high77.7Confident40 Ų4087.5 Ų87.519%0.18748%0.479CS..THydrogen-bonded Turntrans-64.2-28.2178.7-173.767-150.600112.1V34 Q39 F54 W55 K78V34-E36 PolarHBondContact O-N 3.34Å; E36-Q39 PolarHBondContact O-NE2 3.09Å; E36-F54 PolarHBondContact N-O 3.26Å; E36-W55 HydrophobicContact CB-CD2 4.43Å; E36-W55 HydrophobicContact CB-CH2 4Å; E36-W55 HydrophobicContact CB-CZ2 3.64Å; E36-W55 HydrophobicContact CG-CH2 4.08Å; E36-W55 HydrophobicContact CG-CZ2 3.8Å; E36-K78 VanDerWaalsContact OE1-CD 3.29Å; E36-K78 WeakPolarHBondContact OE1-CD 3.46Å; E36-K78 WeakPolarHBondContact OE1-CE 3.41Å; E36-K78 WeakPolarHBondContact OE1-CG 3.2Å; E36-K78 IonicContact OE1-NZ 3.48Å; E36-K78 PolarHBondContact OE1-NZ 3.04Å
37G88.1Confident79.9Confident43 Ų4383.5 Ų83.544%0.44344%0.436SS..THydrogen-bonded Turntrans-76-46.6-177.700000114.7C35C35-G37 PolarHBondContact O-N 3.08Å; C35-G37 PolarHBondContact SG-N 2.84Å; C35-G37 VanDerWaalsContact SG-N 3.43Å
38C91.2Very high81.9Confident47 Ų4773.8 Ų73.832%0.31840%0.4SS..THydrogen-bonded Turntrans-109.9-4.4-176.973.90000114R40 H56C38-R40 PolarHBondContact O-N 3.44Å; C38-R40 VanDerWaalsContact O-N 3.17Å; C38-H56 PolarHBondContact SG-CE1 3.2Å; C38-H56 PolarHBondContact SG-ND1 3.28Å
39Q91Very high83.9Confident116 Ų11673.8 Ų73.854%0.54238%0.38SS..  trans58.420.3-177-58.9-66.4-2.900114.5C35 E36C35-Q39 WeakPolarHBondContact O-CA 3.44Å; C35-Q39 PolarHBondContact O-N 2.96Å; E36-Q39 PolarHBondContact O-NE2 3.09Å
40R91.4Very high85.4Confident187 Ų18768.3 Ų68.371%0.70635%0.347SS*.SBendtrans-102.7151.6175.4-57.5177.4-177.6-151.5-1110.1C35 C38C35-R40 WeakPolarHBondContact CB-O 3.49Å; C35-R40 PolarHBondContact N-O 3.44Å; C38-R40 PolarHBondContact O-N 3.44Å; C38-R40 VanDerWaalsContact O-N 3.17Å
41V91.7Very high86.6Confident58 Ų5869.1 Ų69.135%0.35235%0.347SS..BIsolated β-bridgetrans-61.2138.6174177.70000110K32 V34 L43 H56K32-V41 HydrophobicContact CB-CG1 3.86Å; K32-V41 HydrophobicContact CB-CG2 4.12Å; K32-V41 HydrophobicContact CD-CG1 4.32Å; K32-V41 HydrophobicContact CD-CG2 4.24Å; K32-V41 HydrophobicContact CG-CG1 4.45Å; V34-V41 HydrophobicContact CG2-CG2 4.42Å; V41-L43 HydrophobicContact CG1-CD2 3.92Å; V41-L43 HydrophobicContact CG1-CG 4.46Å; V41-L43 PolarHBondContact O-N 2.98Å; V41-H56 PolarHBondContact O-NE2 2.72Å
42I90.2Very high87.8Confident5 Ų569.8 Ų69.83%0.02634%0.344CS..  trans-85.6106.8175.1-55.4168.2000108.5N10 S33 C35 D44 L47 F54 H56N10-I42 PolarHBondContact ND2-O 2.96Å; N10-I42 VanDerWaalsContact ND2-O 3.09Å; S33-I42 PolarHBondContact O-N 3.26Å; C35-I42 HydrophobicContact CB-CD1 4.06Å; C35-I42 HydrophobicContact CB-CG1 3.8Å; I42-D44 HydrophobicContact CG2-CB 4.02Å; I42-L47 HydrophobicContact CD1-CB 4.22Å; I42-L47 HydrophobicContact CG2-CB 3.88Å; I42-F54 HydrophobicContact CD1-CB 3.49Å; I42-F54 VanDerWaalsContact CD1-CB 3.49Å; I42-H56 WeakPolarHBondContact CA-NE2 3.47Å
43L87.2Confident88.4Confident130 Ų13064.6 Ų64.668%0.68133%0.325SS*.  trans-97.4-5.1174.4-59.1179000112.2V41V41-L43 HydrophobicContact CG1-CD2 3.92Å; V41-L43 HydrophobicContact CG1-CG 4.46Å; V41-L43 PolarHBondContact O-N 2.98Å
44D84.2Confident88.5Confident65 Ų6566.3 Ų66.335%0.34833%0.329SS..SBendtrans-62.5150.1-179.2-57.9-6.4000110.3N10 I42 F46 H56N10-D44 WeakPolarHBondContact CB-O 3.33Å; N10-D44 PolarHBondContact ND2-O 3.44Å; I42-D44 HydrophobicContact CG2-CB 4.02Å; D44-F46 WeakPolarHBondContact CB-O 3.38Å; D44-F46 PolarHBondContact O-N 2.89Å; D44-H56 IonicContact OD2-CD2 2.83Å; D44-H56 PolarHBondContact OD2-CD2 2.91Å; D44-H56 IonicContact OD2-CG 3.07Å
45R85Confident88.5Confident154 Ų15463.6 Ų63.658%0.58131%0.312SS*.SBendtrans-61.8-31.9175.6177.2176.4172.11690.2112.3E9 N10E9-R45 IonicContact OE1-NH2 3.71Å; E9-R45 PolarHBondContact OE1-NH2 2.83Å; N10-R45 WeakPolarHBondContact CB-O 3.39Å; N10-R45 PolarHBondContact N-O 2.97Å
46F86.2Confident88.5Confident71 Ų7164.8 Ų64.831%0.31132%0.318SS..EExtended strand (participates in β ladder)trans-122.4138.6178.6-58-82.8000108.7M7 E9 D44M7-F46 HydrophobicContact CE-CB 3.37Å; M7-F46 HydrophobicContact CE-CD1 4.18Å; M7-F46 HydrophobicContact CE-CD2 4.06Å; M7-F46 HydrophobicContact CE-CG 3.63Å; M7-F46 HydrophobicContact CG-CB 4.15Å; M7-F46 HydrophobicContact CG-CD1 4.48Å; E9-F46 HydrophobicContact CG-CD1 3.65Å; E9-F46 HydrophobicContact CG-CE1 3.34Å; E9-F46 HydrophobicContact CG-CZ 4.38Å; D44-F46 WeakPolarHBondContact CB-O 3.38Å; D44-F46 PolarHBondContact O-N 2.89Å
47L87.5Confident88.3Confident8 Ų868.9 Ų68.94%0.04234%0.337CS..EExtended strand (participates in β ladder)trans-121.715117361.973.9000109E8 N10 I42 F54E8-L47 HydrophobicContact CB-CD1 4.11Å; E8-L47 PolarHBondContact N-O 3.04Å; E8-L47 PolarHBondContact O-N 2.89Å; N10-L47 HydrophobicContact CB-CB 4.41Å; N10-L47 HydrophobicContact CB-CD2 3.85Å; N10-L47 HydrophobicContact CB-CG 4.03Å; I42-L47 HydrophobicContact CD1-CB 4.22Å; I42-L47 HydrophobicContact CG2-CB 3.88Å; L47-F54 HydrophobicContact CD1-CD1 3.63Å; L47-F54 HydrophobicContact CD1-CE1 4.14Å; L47-F54 HydrophobicContact CD2-CD1 4.27Å
48L87.7Confident88.4Confident20 Ų2074.9 Ų74.911%0.10535%0.354CS..EExtended strand (participates in β ladder)trans-101.7126.2175.8-73.279.8000108.3L5 F54 W55 E57 V60L5-L48 HydrophobicContact CD2-CB 4.16Å; L5-L48 HydrophobicContact CD2-CD2 3.74Å; L48-F54 WeakPolarHBondContact O-CA 3.27Å; L48-W55 PolarHBondContact N-O 3.26Å; L48-W55 PolarHBondContact O-N 3.22Å; L48-E57 HydrophobicContact CD1-CB 4.08Å; L48-V60 HydrophobicContact CB-CG2 4.1Å; L48-V60 HydrophobicContact CD2-CB 4.45Å; L48-V60 HydrophobicContact CD2-CG1 4.42Å; L48-V60 HydrophobicContact CD2-CG2 4.07Å
49R86.7Confident88.4Confident95 Ų9574.1 Ų74.136%0.35835%0.348SS..EExtended strand (participates in β ladder)trans-99.4125.9175.8-174177.8173.5178.31.7109.3K6 E8 N51 D52 F54K6-R49 PolarHBondContact N-O 3.15Å; K6-R49 PolarHBondContact O-N 3.23Å; E8-R49 WeakPolarHBondContact OE2-CD 3.27Å; R49-N51 PolarHBondContact NE-O 2.86Å; R49-N51 VanDerWaalsContact NE-O 3.07Å; R49-D52 IonicContact NH2-OD1 3.35Å; R49-F54 HydrophobicContact CB-CD1 4.42Å; R49-F54 HydrophobicContact CG-CD1 4.4Å; R49-F54 HydrophobicContact CG-CE1 4.26Å
50L84.6Confident88.4Confident4 Ų468.8 Ų68.82%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-127115.9172.5-87.5176.8000109L5 D52 S53 C73 L80L5-L50 HydrophobicContact CB-CD2 4.46Å; L5-L50 HydrophobicContact CD2-CD1 3.54Å; L5-L50 HydrophobicContact CD2-CD2 3.92Å; L5-L50 HydrophobicContact CD2-CG 3.52Å; L5-L50 HydrophobicContact CG-CD1 4.13Å; L5-L50 HydrophobicContact CG-CD2 3.76Å; L5-L50 HydrophobicContact CG-CG 3.97Å; L50-D52 PolarHBondContact O-N 3.17Å; L50-D52 VanDerWaalsContact O-N 3.09Å; L50-S53 PolarHBondContact N-O 3.27Å; L50-S53 PolarHBondContact O-N 2.95Å; L50-C73 VanDerWaalsContact CD1-SG 3.55Å; L50-L80 HydrophobicContact CD1-CD1 3.91Å; L50-L80 HydrophobicContact CD1-CD2 3.44Å; L50-L80 VanDerWaalsContact CD1-CD2 3.44Å; L50-L80 HydrophobicContact CD1-CG 4.34Å
51N83.7Confident88.5Confident68 Ų6863.8 Ų63.836%0.36431%0.308SS..THydrogen-bonded Turntrans52.3-113.6-169.2-51.9-39.5000109.9R49R49-N51 PolarHBondContact NE-O 2.86Å; R49-N51 VanDerWaalsContact NE-O 3.07Å
52D84.7Confident88.7Confident135 Ų13561 Ų6172%0.72229%0.291SS*.THydrogen-bonded Turntrans-111.313.2178.3-60.8-46.1000113.5R49 L50R49-D52 IonicContact NH2-OD1 3.35Å; L50-D52 PolarHBondContact O-N 3.17Å; L50-D52 VanDerWaalsContact O-N 3.09Å
53S90.1Very high88.8Confident25 Ų2562.2 Ų62.218%0.17530%0.302CS..EExtended strand (participates in β ladder)trans-110.7146.6178-63.30000111.4L50L50-S53 PolarHBondContact N-O 3.27Å; L50-S53 PolarHBondContact O-N 2.95Å
54F91.4Very high89.1Confident60 Ų6058.9 Ų58.926%0.26329%0.29SS..EExtended strand (participates in β ladder)trans-103.7148.2175.7-53.9-71.6000110.8C35 E36 I42 L47 L48 R49C35-F54 CarbonylContact C-O 3.58Å; C35-F54 VanDerWaalsContact CA-O 3.27Å; C35-F54 WeakPolarHBondContact CA-O 3.13Å; E36-F54 PolarHBondContact N-O 3.26Å; I42-F54 HydrophobicContact CD1-CB 3.49Å; I42-F54 VanDerWaalsContact CD1-CB 3.49Å; L47-F54 HydrophobicContact CD1-CD1 3.63Å; L47-F54 HydrophobicContact CD1-CE1 4.14Å; L47-F54 HydrophobicContact CD2-CD1 4.27Å; L48-F54 WeakPolarHBondContact O-CA 3.27Å; R49-F54 HydrophobicContact CB-CD1 4.42Å; R49-F54 HydrophobicContact CG-CD1 4.4Å; R49-F54 HydrophobicContact CG-CE1 4.26Å
55W92Very high89.6Confident5 Ų558.2 Ų58.22%0.01929%0.29CS..EExtended strand (participates in β ladder)trans-140143-177.5-58.579.2000110.6E36 L48 C59 V60 Y75 L80E36-W55 HydrophobicContact CB-CD2 4.43Å; E36-W55 HydrophobicContact CB-CH2 4Å; E36-W55 HydrophobicContact CB-CZ2 3.64Å; E36-W55 HydrophobicContact CG-CH2 4.08Å; E36-W55 HydrophobicContact CG-CZ2 3.8Å; L48-W55 PolarHBondContact N-O 3.26Å; L48-W55 PolarHBondContact O-N 3.22Å; W55-C59 HydrophobicContact CE3-CB 4.24Å; W55-V60 HydrophobicContact CB-CG2 3.49Å; W55-V60 VanDerWaalsContact CB-CG2 3.49Å; W55-V60 HydrophobicContact CG-CG2 4.15Å; W55-Y75 HydrophobicContact CH2-CE2 4.15Å; W55-Y75 AromaticContact CZ2-CD2 3.99Å; W55-Y75 HydrophobicContact CZ2-CD2 3.99Å; W55-Y75 AromaticContact CZ2-CE2 3.61Å; W55-Y75 HydrophobicContact CZ2-CE2 3.61Å; W55-L80 HydrophobicContact CD2-CD1 3.89Å; W55-L80 HydrophobicContact CE3-CD1 3.74Å; W55-L80 HydrophobicContact CE3-CG 4.4Å; W55-L80 HydrophobicContact CH2-CD1 4.22Å; W55-L80 HydrophobicContact CH2-CG 3.99Å; W55-L80 HydrophobicContact CZ2-CD1 4.33Å; W55-L80 HydrophobicContact CZ2-CD2 4.34Å; W55-L80 HydrophobicContact CZ2-CG 4.18Å; W55-L80 HydrophobicContact CZ3-CD1 3.9Å; W55-L80 HydrophobicContact CZ3-CG 4.08Å
56H91.9Very high89.9Confident24 Ų2456.6 Ų56.611%0.11129%0.287CS..  trans-67150.7162.5-57.7101.5000109.6C35 C38 V41 I42 D44 Q58 C59 V60C35-H56 WeakPolarHBondContact CB-CE1 3.42Å; C35-H56 WeakPolarHBondContact CB-ND1 3.29Å; C35-H56 PolarHBondContact SG-ND1 3.22Å; C38-H56 PolarHBondContact SG-CE1 3.2Å; C38-H56 PolarHBondContact SG-ND1 3.28Å; V41-H56 PolarHBondContact O-NE2 2.72Å; I42-H56 WeakPolarHBondContact CA-NE2 3.47Å; D44-H56 IonicContact OD2-CD2 2.83Å; D44-H56 PolarHBondContact OD2-CD2 2.91Å; D44-H56 IonicContact OD2-CG 3.07Å; H56-Q58 VanDerWaalsContact C-N 3.27Å; H56-Q58 PolarHBondContact O-N 3.43Å; H56-C59 HydrophobicContact CB-CB 4.01Å; H56-C59 WeakPolarHBondContact O-CA 3.44Å; H56-C59 WeakPolarHBondContact O-CB 3.47Å; H56-C59 PolarHBondContact O-N 3.31Å; H56-V60 PolarHBondContact O-N 3.32Å
57E88.8Confident90.3Very high127 Ų12759.2 Ų59.259%0.59330%0.3SS*.G310 helixtrans-52.1-46.4174.1-173.2179.1178.300111.8L48 C59 V60L48-E57 HydrophobicContact CD1-CB 4.08Å; E57-C59 VanDerWaalsContact C-N 3.26Å; E57-C59 PolarHBondContact O-N 3.47Å; E57-V60 PolarHBondContact O-N 3.19Å
58Q89Confident90.5Very high169 Ų16963.4 Ų63.479%0.7933%0.328SS*.G310 helixtrans-70-19.8177.8-61.2175.37.200114H56H56-Q58 VanDerWaalsContact C-N 3.27Å; H56-Q58 PolarHBondContact O-N 3.43Å
59C91.6Very high90.7Very high31 Ų3163.2 Ų63.221%0.20933%0.327CS..G310 helixtrans-84.8-14.4176.9-70.80000112.2C35 W55 H56 E57 Q61C35-C59 VanDerWaalsContact SG-SG 3.65Å; W55-C59 HydrophobicContact CE3-CB 4.24Å; H56-C59 HydrophobicContact CB-CB 4.01Å; H56-C59 WeakPolarHBondContact O-CA 3.44Å; H56-C59 WeakPolarHBondContact O-CB 3.47Å; H56-C59 PolarHBondContact O-N 3.31Å; E57-C59 VanDerWaalsContact C-N 3.26Å; E57-C59 PolarHBondContact O-N 3.47Å; C59-Q61 VanDerWaalsContact C-N 3.27Å; C59-Q61 PolarHBondContact O-N 2.83Å
60V91.8Very high90.4Very high3 Ų366.4 Ų66.42%0.01835%0.346CS..  trans-8375175.1-179.40000109.5L5 L48 W55 H56 E57 P68 L69 L80L5-V60 HydrophobicContact CD1-CG1 3.89Å; L5-V60 HydrophobicContact CD2-CB 4.45Å; L5-V60 HydrophobicContact CD2-CG1 3.5Å; L5-V60 HydrophobicContact CD2-CG2 4.04Å; L5-V60 HydrophobicContact CG-CG1 4.36Å; L48-V60 HydrophobicContact CB-CG2 4.1Å; L48-V60 HydrophobicContact CD2-CB 4.45Å; L48-V60 HydrophobicContact CD2-CG1 4.42Å; L48-V60 HydrophobicContact CD2-CG2 4.07Å; W55-V60 HydrophobicContact CB-CG2 3.49Å; W55-V60 VanDerWaalsContact CB-CG2 3.49Å; W55-V60 HydrophobicContact CG-CG2 4.15Å; H56-V60 PolarHBondContact O-N 3.32Å; E57-V60 PolarHBondContact O-N 3.19Å; V60-P68 WeakPolarHBondContact O-CA 3.39Å; V60-L69 HydrophobicContact CG1-CB 3.92Å; V60-L69 VanDerWaalsContact CG1-O 3.29Å; V60-L69 WeakPolarHBondContact CG1-O 3.29Å; V60-L69 PolarHBondContact O-N 2.89Å; V60-L80 HydrophobicContact CB-CD1 4.38Å; V60-L80 HydrophobicContact CG1-CD1 4.24Å; V60-L80 HydrophobicContact CG2-CD1 4.25Å
61Q93.7Very high90.3Very high82 Ų8271.2 Ų71.238%0.38338%0.375SS..BIsolated β-bridgetrans-140.215317761.2-179.31500110.5C59 A63 E67C59-Q61 VanDerWaalsContact C-N 3.27Å; C59-Q61 PolarHBondContact O-N 2.83Å; Q61-A63 PolarHBondContact O-N 2.95Å; Q61-E67 CarbonylContact C-O 3.56Å; Q61-E67 VanDerWaalsContact CA-O 3.23Å; Q61-E67 WeakPolarHBondContact CA-O 3.14Å; Q61-E67 WeakPolarHBondContact CB-O 3.44Å
62C94.7Very high90.3Very high0 Ų072.2 Ų72.20%038%0.384CS..  trans-61.6129.4177-177.10000110.5S64 C65 K66 E67 L69 L80 C82 D85C62-S64 PolarHBondContact O-N 2.75Å; C62-S64 PolarHBondContact SG-N 3.31Å; C62-S64 VanDerWaalsContact SG-N 3.44Å; C62-C65 WeakPolarHBondContact CB-SG 3.43Å; C62-C65 VanDerWaalsContact SG-SG 3.7Å; C62-K66 WeakPolarHBondContact O-CA 3.23Å; C62-K66 PolarHBondContact O-N 3.33Å; C62-E67 PolarHBondContact N-O 3.04Å; C62-L69 HydrophobicContact CB-CD2 4.24Å; C62-L80 CarbonylContact C-O 3.52Å; C62-L80 WeakPolarHBondContact CA-O 3.13Å; C62-C82 HydrophobicContact CB-CB 4.1Å; C62-C82 PolarHBondContact SG-N 2.89Å; C62-D85 PolarHBondContact SG-OD2 2.82Å
63A92.9Very high90.6Very high30 Ų3066 Ų6625%0.24835%0.351CS..THydrogen-bonded Turntrans-64.1-25.3178.800000112.9Q61 K66 K79 L80 Y81Q61-A63 PolarHBondContact O-N 2.95Å; A63-K66 WeakPolarHBondContact O-CE 3.48Å; A63-K66 PolarHBondContact O-NZ 2.95Å; A63-K79 HydrophobicContact CB-CB 4.04Å; A63-K79 HydrophobicContact CB-CD 4.27Å; A63-K79 HydrophobicContact CB-CG 4.38Å; A63-L80 WeakPolarHBondContact CB-O 3.41Å; A63-L80 PolarHBondContact N-O 3.26Å; A63-Y81 HydrophobicContact CB-CD1 4.45Å; A63-Y81 HydrophobicContact CB-CE1 4.03Å
64S93.1Very high90.6Very high60 Ų6066.1 Ų66.142%0.4235%0.349SS..THydrogen-bonded Turntrans-89.8-64.6179.1-78.50000113C62 D85 L89C62-S64 PolarHBondContact O-N 2.75Å; C62-S64 PolarHBondContact SG-N 3.31Å; C62-S64 VanDerWaalsContact SG-N 3.44Å; S64-D85 WeakPolarHBondContact CB-OD2 3Å; S64-L89 WeakPolarHBondContact OG-CD1 3.36Å
65C94.3Very high90.5Very high52 Ų5266.1 Ų66.135%0.35135%0.347SS..THydrogen-bonded Turntrans-82.2-13.7-178.369.40000115.3C62 E67 D85C62-C65 WeakPolarHBondContact CB-SG 3.43Å; C62-C65 VanDerWaalsContact SG-SG 3.7Å; C65-E67 HydrophobicContact CB-CG 4.41Å; C65-E67 PolarHBondContact O-N 3.11Å; C65-D85 WeakPolarHBondContact CB-OD2 3.47Å; C65-D85 PolarHBondContact N-OD2 2.85Å
66K92.6Very high90.4Very high120 Ų12071.1 Ų71.152%0.52237%0.366SS..  trans63.79.5-174.7-50.6-55.4-171.8-165.60115.6C62 A63C62-K66 WeakPolarHBondContact O-CA 3.23Å; C62-K66 PolarHBondContact O-N 3.33Å; A63-K66 WeakPolarHBondContact O-CE 3.48Å; A63-K66 PolarHBondContact O-NZ 2.95Å
67E93.3Very high90.2Very high126 Ų12675.5 Ų75.559%0.58939%0.39SS*.  trans-70.8140.9172.6-65.8-178.9158.300111Q61 C62 C65Q61-E67 CarbonylContact C-O 3.56Å; Q61-E67 VanDerWaalsContact CA-O 3.23Å; Q61-E67 WeakPolarHBondContact CA-O 3.14Å; Q61-E67 WeakPolarHBondContact CB-O 3.44Å; C62-E67 PolarHBondContact N-O 3.04Å; C65-E67 HydrophobicContact CB-CG 4.41Å; C65-E67 PolarHBondContact O-N 3.11Å
68P92.2Very high90.2Very high96 Ų9675.2 Ų75.262%0.62339%0.387SS*.BIsolated β-bridgetrans-63.4140.6175.127.8-34000110.7V60V60-P68 WeakPolarHBondContact O-CA 3.39Å
69L90.6Very high90.3Very high15 Ų1572.6 Ų72.68%0.07937%0.373CS..  trans-102.7113.9-178.7-55.1168.5000109.3L5 V60 C62 C73 L80 C82L5-L69 HydrophobicContact CD1-CB 4.33Å; L5-L69 WeakPolarHBondContact CD1-O 3.25Å; V60-L69 HydrophobicContact CG1-CB 3.92Å; V60-L69 VanDerWaalsContact CG1-O 3.29Å; V60-L69 WeakPolarHBondContact CG1-O 3.29Å; V60-L69 PolarHBondContact O-N 2.89Å; C62-L69 HydrophobicContact CB-CD2 4.24Å; L69-C73 HydrophobicContact CB-CB 4.09Å; L69-C73 HydrophobicContact CD1-CB 3.55Å; L69-C73 HydrophobicContact CG-CB 4.32Å; L69-L80 HydrophobicContact CD1-CB 3.69Å; L69-C82 HydrophobicContact CD2-CB 3.65Å
70E82.1Confident90.3Very high162 Ų16271.3 Ų71.376%0.75736%0.364SS*.  trans-92.2-56.7-172.6-63.3178.1177.800113
71T81.6Confident90.4Very high105 Ų10572.1 Ų72.164%0.64437%0.367SS*.SBendtrans-111.4-38.1-168.155.10000113.6
72T84.7Confident90.3Very high89 Ų8969.1 Ų69.155%0.54636%0.355SS..  trans-135.8138.3-17859.60000110.2
73C89.2Confident90Very high5 Ų574.8 Ų74.83%0.03438%0.379CS..  trans-145.1157.317760.70000110.1L5 L50 L69L5-C73 HydrophobicContact CD1-CB 4.2Å; L50-C73 VanDerWaalsContact CD1-SG 3.55Å; L69-C73 HydrophobicContact CB-CB 4.09Å; L69-C73 HydrophobicContact CD1-CB 3.55Å; L69-C73 HydrophobicContact CG-CB 4.32Å
74F90.4Very high89.9Confident28 Ų2880.8 Ų80.812%0.12340%0.397CS..EExtended strand (participates in β ladder)trans-110.4122172.3-69.5-99.6000109.4M1 L80 Y81 K83 Y86M1-F74 HydrophobicContact CG-CE1 4.36Å; M1-F74 HydrophobicContact CG-CZ 4.16Å; F74-L80 CarbonylContact O-C 3.49Å; F74-L80 WeakPolarHBondContact O-CA 3.48Å; F74-Y81 PolarHBondContact N-O 2.89Å; F74-Y81 PolarHBondContact O-N 3.44Å; F74-K83 HydrophobicContact CD2-CB 4.4Å; F74-K83 HydrophobicContact CE2-CB 3.75Å; F74-K83 HydrophobicContact CE2-CG 3.87Å; F74-K83 HydrophobicContact CZ-CG 4.33Å; F74-Y86 HydrophobicContact CB-CD1 4.09Å; F74-Y86 HydrophobicContact CB-CD2 3.3Å; F74-Y86 HydrophobicContact CB-CE2 3.85Å; F74-Y86 HydrophobicContact CB-CG 3.43Å; F74-Y86 VanDerWaalsContact CB-CG 3.43Å; F74-Y86 AromaticContact CD1-CD1 3.34Å; F74-Y86 HydrophobicContact CD1-CD1 3.34Å; F74-Y86 HydrophobicContact CD1-CD2 4.07Å; F74-Y86 AromaticContact CD1-CE1 3.51Å; F74-Y86 HydrophobicContact CD1-CE1 3.51Å; F74-Y86 HydrophobicContact CD1-CE2 4.19Å; F74-Y86 AromaticContact CD1-CG 3.64Å; F74-Y86 HydrophobicContact CD1-CG 3.64Å; F74-Y86 AromaticContact CD1-CZ 3.94Å; F74-Y86 HydrophobicContact CD2-CD1 4.37Å; F74-Y86 HydrophobicContact CD2-CG 4.16Å; F74-Y86 AromaticContact CE1-CD1 3.77Å; F74-Y86 HydrophobicContact CE1-CD1 3.77Å; F74-Y86 AromaticContact CE1-CE1 3.95Å; F74-Y86 HydrophobicContact CE1-CE1 3.95Å; F74-Y86 HydrophobicContact CE1-CG 4.43Å; F74-Y86 AromaticContact CG-CD1 3.68Å; F74-Y86 HydrophobicContact CG-CD1 3.68Å; F74-Y86 AromaticContact CG-CD2 3.87Å; F74-Y86 HydrophobicContact CG-CD2 3.87Å; F74-Y86 HydrophobicContact CG-CE1 4.23Å; F74-Y86 HydrophobicContact CG-CE2 4.38Å; F74-Y86 AromaticContact CG-CG 3.47Å; F74-Y86 HydrophobicContact CG-CG 3.47Å; F74-Y86 VanDerWaalsContact CG-CG 3.47Å; F74-Y86 HydrophobicContact CZ-CD1 4.45Å
75Y89.8Confident89.9Confident60 Ų6078.8 Ų78.824%0.23538%0.381CS..EExtended strand (participates in β ladder)trans-98.7124.7177.1177.3-106.2000110.5W55 L80W55-Y75 HydrophobicContact CH2-CE2 4.15Å; W55-Y75 AromaticContact CZ2-CD2 3.99Å; W55-Y75 HydrophobicContact CZ2-CD2 3.99Å; W55-Y75 AromaticContact CZ2-CE2 3.61Å; W55-Y75 HydrophobicContact CZ2-CE2 3.61Å; Y75-L80 HydrophobicContact CD2-CD2 3.76Å; Y75-L80 HydrophobicContact CG-CD2 4.35Å
76R89.7Confident89.7Confident109 Ų10979 Ų7941%0.41138%0.375SS..EExtended strand (participates in β ladder)trans-153.3137.4176.7-170-177.6177.196.55.4110.4K78 K79 Y81 Y86R76-K78 VanDerWaalsContact C-N 3.26Å; R76-K78 PolarHBondContact O-N 3.39Å; R76-K79 PolarHBondContact N-O 3.24Å; R76-K79 PolarHBondContact O-N 2.82Å; R76-Y81 HydrophobicContact CB-CE2 4.35Å; R76-Y86 HydrophobicContact CB-CE2 4.17Å
77D88.4Confident89.6Confident116 Ų11677.5 Ų77.562%0.6237%0.37SS*.THydrogen-bonded Turntrans50.243.6175.2-56.5-39.2000113.5K79D77-K79 PolarHBondContact O-N 2.98Å
78K88.3Confident89.3Confident122 Ų12277.9 Ų77.953%0.5337%0.37SS..THydrogen-bonded Turntrans61.520.7-176.7-57.4173.6170.5-111.60114.9E36 R76E36-K78 VanDerWaalsContact OE1-CD 3.29Å; E36-K78 WeakPolarHBondContact OE1-CD 3.46Å; E36-K78 WeakPolarHBondContact OE1-CE 3.41Å; E36-K78 WeakPolarHBondContact OE1-CG 3.2Å; E36-K78 IonicContact OE1-NZ 3.48Å; E36-K78 PolarHBondContact OE1-NZ 3.04Å; R76-K78 VanDerWaalsContact C-N 3.26Å; R76-K78 PolarHBondContact O-N 3.39Å
79K91.5Very high89.2Confident114 Ų11477.7 Ų77.750%0.49636%0.363SS..EExtended strand (participates in β ladder)trans-127.1146.7178.6-67.2175.5-175.9174.70110.6A63 R76 D77 Y81A63-K79 HydrophobicContact CB-CB 4.04Å; A63-K79 HydrophobicContact CB-CD 4.27Å; A63-K79 HydrophobicContact CB-CG 4.38Å; R76-K79 PolarHBondContact N-O 3.24Å; R76-K79 PolarHBondContact O-N 2.82Å; D77-K79 PolarHBondContact O-N 2.98Å; K79-Y81 HydrophobicContact CB-CD2 4.45Å; K79-Y81 HydrophobicContact CB-CE2 3.61Å
80L92.4Very high89.1Confident4 Ų480 Ų802%0.02137%0.372CS..EExtended strand (participates in β ladder)trans-98.6140.9175-61.7173.3000109.8L50 W55 V60 C62 A63 L69 F74 Y75L50-L80 HydrophobicContact CD1-CD1 3.91Å; L50-L80 HydrophobicContact CD1-CD2 3.44Å; L50-L80 VanDerWaalsContact CD1-CD2 3.44Å; L50-L80 HydrophobicContact CD1-CG 4.34Å; W55-L80 HydrophobicContact CD2-CD1 3.89Å; W55-L80 HydrophobicContact CE3-CD1 3.74Å; W55-L80 HydrophobicContact CE3-CG 4.4Å; W55-L80 HydrophobicContact CH2-CD1 4.22Å; W55-L80 HydrophobicContact CH2-CG 3.99Å; W55-L80 HydrophobicContact CZ2-CD1 4.33Å; W55-L80 HydrophobicContact CZ2-CD2 4.34Å; W55-L80 HydrophobicContact CZ2-CG 4.18Å; W55-L80 HydrophobicContact CZ3-CD1 3.9Å; W55-L80 HydrophobicContact CZ3-CG 4.08Å; V60-L80 HydrophobicContact CB-CD1 4.38Å; V60-L80 HydrophobicContact CG1-CD1 4.24Å; V60-L80 HydrophobicContact CG2-CD1 4.25Å; C62-L80 CarbonylContact C-O 3.52Å; C62-L80 WeakPolarHBondContact CA-O 3.13Å; A63-L80 WeakPolarHBondContact CB-O 3.41Å; A63-L80 PolarHBondContact N-O 3.26Å; L69-L80 HydrophobicContact CD1-CB 3.69Å; F74-L80 CarbonylContact O-C 3.49Å; F74-L80 WeakPolarHBondContact O-CA 3.48Å; Y75-L80 HydrophobicContact CD2-CD2 3.76Å; Y75-L80 HydrophobicContact CG-CD2 4.35Å
81Y92.9Very high89.5Confident20 Ų2073.6 Ų73.68%0.07835%0.348CS..EExtended strand (participates in β ladder)trans-131.9144.4179.6-62.9-88.1000110A63 F74 R76 K79 Y86 L89 F90A63-Y81 HydrophobicContact CB-CD1 4.45Å; A63-Y81 HydrophobicContact CB-CE1 4.03Å; F74-Y81 PolarHBondContact N-O 2.89Å; F74-Y81 PolarHBondContact O-N 3.44Å; R76-Y81 HydrophobicContact CB-CE2 4.35Å; K79-Y81 HydrophobicContact CB-CD2 4.45Å; K79-Y81 HydrophobicContact CB-CE2 3.61Å; Y81-Y86 HydrophobicContact CD2-CD2 4.44Å; Y81-L89 HydrophobicContact CD1-CD1 4.22Å; Y81-L89 HydrophobicContact CE1-CD1 3.98Å; Y81-F90 HydrophobicContact CD1-CE2 4.16Å; Y81-F90 AromaticContact CD2-CE2 3.92Å; Y81-F90 HydrophobicContact CD2-CE2 3.92Å; Y81-F90 AromaticContact CE1-CE2 3.95Å; Y81-F90 HydrophobicContact CE1-CE2 3.95Å; Y81-F90 HydrophobicContact CE1-CZ 4.29Å; Y81-F90 AromaticContact CE2-CE2 3.7Å; Y81-F90 HydrophobicContact CE2-CE2 3.7Å; Y81-F90 AromaticContact CE2-CZ 3.94Å; Y81-F90 HydrophobicContact CE2-CZ 3.94Å; Y81-F90 HydrophobicContact CG-CE2 4.15Å; Y81-F90 AromaticContact CZ-CE2 3.71Å; Y81-F90 AromaticContact CZ-CZ 3.76Å
82C92.4Very high90Very high18 Ų1872.8 Ų72.812%0.12234%0.342CS..  trans-69.5161.516673.80000109.6C62 L69 Y84 D85 Y86C62-C82 HydrophobicContact CB-CB 4.1Å; C62-C82 PolarHBondContact SG-N 2.89Å; L69-C82 HydrophobicContact CD2-CB 3.65Å; C82-Y84 VanDerWaalsContact C-N 3.28Å; C82-Y84 PolarHBondContact O-N 3.21Å; C82-D85 PolarHBondContact O-N 2.82Å; C82-D85 VanDerWaalsContact SG-CG 3.6Å; C82-D85 PolarHBondContact SG-N 2.89Å; C82-D85 PolarHBondContact SG-OD2 2.97Å; C82-Y86 VanDerWaalsContact O-CB 3.26Å; C82-Y86 WeakPolarHBondContact O-CB 3.31Å; C82-Y86 PolarHBondContact O-N 3.48Å
83K88.6Confident90.4Very high119 Ų11974.6 Ų74.652%0.51734%0.343SS..Hα-helixtrans-53.1-47178.9-177.1179.4174.6-175.20112.2F74 Y86 E87F74-K83 HydrophobicContact CD2-CB 4.4Å; F74-K83 HydrophobicContact CE2-CB 3.75Å; F74-K83 HydrophobicContact CE2-CG 3.87Å; F74-K83 HydrophobicContact CZ-CG 4.33Å; K83-Y86 PolarHBondContact O-N 3.46Å; K83-E87 WeakPolarHBondContact CE-OE1 3.26Å; K83-E87 WeakPolarHBondContact O-CB 2.99Å; K83-E87 WeakPolarHBondContact O-CG 3.43Å; K83-E87 PolarHBondContact O-N 2.89Å
84Y90.8Very high90.7Very high156 Ų15674.4 Ų74.461%0.61234%0.341SS*.Hα-helixtrans-62.2-51.3-177.7-180-95.9000112.5C82 Y86 E87 K88C82-Y84 VanDerWaalsContact C-N 3.28Å; C82-Y84 PolarHBondContact O-N 3.21Å; Y84-Y86 VanDerWaalsContact C-N 3.33Å; Y84-Y86 PolarHBondContact O-N 3.47Å; Y84-E87 PolarHBondContact O-N 3.44Å; Y84-K88 HydrophobicContact CE1-CD 4.1Å; Y84-K88 VanDerWaalsContact O-CB 3.28Å; Y84-K88 WeakPolarHBondContact O-CB 3.32Å; Y84-K88 PolarHBondContact O-N 3.08Å
85D92Very high90.8Very high18 Ų1874.2 Ų74.210%0.09635%0.347CS..Hα-helixtrans-68.4-35.1-180-74.8-29.5000111.8C62 S64 C65 C82 K88 L89C62-D85 PolarHBondContact SG-OD2 2.82Å; S64-D85 WeakPolarHBondContact CB-OD2 3Å; C65-D85 WeakPolarHBondContact CB-OD2 3.47Å; C65-D85 PolarHBondContact N-OD2 2.85Å; C82-D85 PolarHBondContact O-N 2.82Å; C82-D85 VanDerWaalsContact SG-CG 3.6Å; C82-D85 PolarHBondContact SG-N 2.89Å; C82-D85 PolarHBondContact SG-OD2 2.97Å; D85-K88 PolarHBondContact O-N 2.97Å; D85-L89 HydrophobicContact CB-CD1 4.47Å; D85-L89 VanDerWaalsContact O-CB 3.23Å; D85-L89 WeakPolarHBondContact O-CB 3.28Å; D85-L89 WeakPolarHBondContact O-CG 3.34Å; D85-L89 PolarHBondContact O-N 3.47Å
86Y90.9Very high90.9Very high57 Ų5773.3 Ų73.322%0.22436%0.356CS..Hα-helixtrans-63.7-49.5176.5-175.6-93.7000111.5F74 R76 Y81 C82 K83 Y84 K88 L89 F90F74-Y86 HydrophobicContact CB-CD1 4.09Å; F74-Y86 HydrophobicContact CB-CD2 3.3Å; F74-Y86 HydrophobicContact CB-CE2 3.85Å; F74-Y86 HydrophobicContact CB-CG 3.43Å; F74-Y86 VanDerWaalsContact CB-CG 3.43Å; F74-Y86 AromaticContact CD1-CD1 3.34Å; F74-Y86 HydrophobicContact CD1-CD1 3.34Å; F74-Y86 HydrophobicContact CD1-CD2 4.07Å; F74-Y86 AromaticContact CD1-CE1 3.51Å; F74-Y86 HydrophobicContact CD1-CE1 3.51Å; F74-Y86 HydrophobicContact CD1-CE2 4.19Å; F74-Y86 AromaticContact CD1-CG 3.64Å; F74-Y86 HydrophobicContact CD1-CG 3.64Å; F74-Y86 AromaticContact CD1-CZ 3.94Å; F74-Y86 HydrophobicContact CD2-CD1 4.37Å; F74-Y86 HydrophobicContact CD2-CG 4.16Å; F74-Y86 AromaticContact CE1-CD1 3.77Å; F74-Y86 HydrophobicContact CE1-CD1 3.77Å; F74-Y86 AromaticContact CE1-CE1 3.95Å; F74-Y86 HydrophobicContact CE1-CE1 3.95Å; F74-Y86 HydrophobicContact CE1-CG 4.43Å; F74-Y86 AromaticContact CG-CD1 3.68Å; F74-Y86 HydrophobicContact CG-CD1 3.68Å; F74-Y86 AromaticContact CG-CD2 3.87Å; F74-Y86 HydrophobicContact CG-CD2 3.87Å; F74-Y86 HydrophobicContact CG-CE1 4.23Å; F74-Y86 HydrophobicContact CG-CE2 4.38Å; F74-Y86 AromaticContact CG-CG 3.47Å; F74-Y86 HydrophobicContact CG-CG 3.47Å; F74-Y86 VanDerWaalsContact CG-CG 3.47Å; F74-Y86 HydrophobicContact CZ-CD1 4.45Å; R76-Y86 HydrophobicContact CB-CE2 4.17Å; Y81-Y86 HydrophobicContact CD2-CD2 4.44Å; C82-Y86 VanDerWaalsContact O-CB 3.26Å; C82-Y86 WeakPolarHBondContact O-CB 3.31Å; C82-Y86 PolarHBondContact O-N 3.48Å; K83-Y86 PolarHBondContact O-N 3.46Å; Y84-Y86 VanDerWaalsContact C-N 3.33Å; Y84-Y86 PolarHBondContact O-N 3.47Å; Y86-K88 VanDerWaalsContact C-N 3.32Å; Y86-K88 PolarHBondContact O-N 3.43Å; Y86-L89 PolarHBondContact O-N 2.91Å; Y86-F90 AromaticContact CD2-CD2 3.48Å; Y86-F90 HydrophobicContact CD2-CD2 3.48Å; Y86-F90 VanDerWaalsContact CD2-CD2 3.48Å; Y86-F90 HydrophobicContact CD2-CE2 4.06Å; Y86-F90 HydrophobicContact CD2-CG 4.39Å; Y86-F90 HydrophobicContact CE2-CB 4.33Å; Y86-F90 AromaticContact CE2-CD2 3.73Å; Y86-F90 HydrophobicContact CE2-CD2 3.73Å; Y86-F90 HydrophobicContact CE2-CE2 4.4Å; Y86-F90 HydrophobicContact CE2-CG 4.26Å; Y86-F90 HydrophobicContact CG-CD2 4.13Å; Y86-F90 WeakPolarHBondContact O-CA 3.38Å; Y86-F90 WeakPolarHBondContact O-CB 3.45Å; Y86-F90 PolarHBondContact O-N 2.95Å
87E89.2Confident91.1Very high89 Ų8970.5 Ų70.542%0.41635%0.353SS..Hα-helixtrans-60.7-42.9176.5-73.5173.7178.600110.7K83 Y84 A91K83-E87 WeakPolarHBondContact CE-OE1 3.26Å; K83-E87 WeakPolarHBondContact O-CB 2.99Å; K83-E87 WeakPolarHBondContact O-CG 3.43Å; K83-E87 PolarHBondContact O-N 2.89Å; Y84-E87 PolarHBondContact O-N 3.44Å; E87-A91 VanDerWaalsContact O-CA 3.31Å; E87-A91 WeakPolarHBondContact O-CA 3.05Å; E87-A91 WeakPolarHBondContact O-CB 3.34Å; E87-A91 PolarHBondContact O-N 3.3Å
88K88.4Confident91.3Very high134 Ų13472 Ų7258%0.58335%0.354SS*.Hα-helixtrans-66.8-42.1-179.9-175.1177.2179.11800113.7Y84 D85 Y86Y84-K88 HydrophobicContact CE1-CD 4.1Å; Y84-K88 VanDerWaalsContact O-CB 3.28Å; Y84-K88 WeakPolarHBondContact O-CB 3.32Å; Y84-K88 PolarHBondContact O-N 3.08Å; D85-K88 PolarHBondContact O-N 2.97Å; Y86-K88 VanDerWaalsContact C-N 3.32Å; Y86-K88 PolarHBondContact O-N 3.43Å
89L89.3Confident91.6Very high91 Ų9172.4 Ų72.448%0.47636%0.358SS..Hα-helixtrans-85.5-34.5-174.4-67.1172.6000113S64 Y81 D85 Y86S64-L89 WeakPolarHBondContact OG-CD1 3.36Å; Y81-L89 HydrophobicContact CD1-CD1 4.22Å; Y81-L89 HydrophobicContact CE1-CD1 3.98Å; D85-L89 HydrophobicContact CB-CD1 4.47Å; D85-L89 VanDerWaalsContact O-CB 3.23Å; D85-L89 WeakPolarHBondContact O-CB 3.28Å; D85-L89 WeakPolarHBondContact O-CG 3.34Å; D85-L89 PolarHBondContact O-N 3.47Å; Y86-L89 PolarHBondContact O-N 2.91Å
90F89.4Confident91.6Very high63 Ų6369.7 Ų69.728%0.27636%0.356SS..Hα-helixtrans-117.516.7-173-52-72000113Y81 Y86 V92Y81-F90 HydrophobicContact CD1-CE2 4.16Å; Y81-F90 AromaticContact CD2-CE2 3.92Å; Y81-F90 HydrophobicContact CD2-CE2 3.92Å; Y81-F90 AromaticContact CE1-CE2 3.95Å; Y81-F90 HydrophobicContact CE1-CE2 3.95Å; Y81-F90 HydrophobicContact CE1-CZ 4.29Å; Y81-F90 AromaticContact CE2-CE2 3.7Å; Y81-F90 HydrophobicContact CE2-CE2 3.7Å; Y81-F90 AromaticContact CE2-CZ 3.94Å; Y81-F90 HydrophobicContact CE2-CZ 3.94Å; Y81-F90 HydrophobicContact CG-CE2 4.15Å; Y81-F90 AromaticContact CZ-CE2 3.71Å; Y81-F90 AromaticContact CZ-CZ 3.76Å; Y86-F90 AromaticContact CD2-CD2 3.48Å; Y86-F90 HydrophobicContact CD2-CD2 3.48Å; Y86-F90 VanDerWaalsContact CD2-CD2 3.48Å; Y86-F90 HydrophobicContact CD2-CE2 4.06Å; Y86-F90 HydrophobicContact CD2-CG 4.39Å; Y86-F90 HydrophobicContact CE2-CB 4.33Å; Y86-F90 AromaticContact CE2-CD2 3.73Å; Y86-F90 HydrophobicContact CE2-CD2 3.73Å; Y86-F90 HydrophobicContact CE2-CE2 4.4Å; Y86-F90 HydrophobicContact CE2-CG 4.26Å; Y86-F90 HydrophobicContact CG-CD2 4.13Å; Y86-F90 WeakPolarHBondContact O-CA 3.38Å; Y86-F90 WeakPolarHBondContact O-CB 3.45Å; Y86-F90 PolarHBondContact O-N 2.95Å; F90-V92 PolarHBondContact O-N 3.48Å
91A88.9Confident91.7Very high29 Ų2970.4 Ų70.424%0.2436%0.36CS..PPolyproline II helixtrans-50.8135.1169.800000111.1E87 K93 A100E87-A91 VanDerWaalsContact O-CA 3.31Å; E87-A91 WeakPolarHBondContact O-CA 3.05Å; E87-A91 WeakPolarHBondContact O-CB 3.34Å; E87-A91 PolarHBondContact O-N 3.3Å; A91-K93 PolarHBondContact O-N 3.4Å; A91-A100 HydrophobicContact CB-CB 3.54Å
92V92.2Very high91.6Very high88 Ų8871.5 Ų71.553%0.53337%0.373SS..PPolyproline II helixtrans-69.5119.8165.7-179.50000107.2F90 I101 V114F90-V92 PolarHBondContact O-N 3.48Å; V92-I101 HydrophobicContact CG1-CD1 4.44Å; V92-I101 PolarHBondContact O-N 3.05Å; V92-V114 HydrophobicContact CG1-CB 4.18Å; V92-V114 HydrophobicContact CG1-CG2 4.08Å
93K93.2Very high91.3Very high127 Ų12776.8 Ų76.855%0.55241%0.407SS*.BIsolated β-bridgetrans-98.5143.1-178-64.9-179.9178.8-170.80111.3A91 G95 F98 E99A91-K93 PolarHBondContact O-N 3.4Å; K93-G95 PolarHBondContact O-N 3.31Å; K93-F98 WeakPolarHBondContact CD-O 3.21Å; K93-E99 CarbonylContact C-O 3.59Å; K93-E99 WeakPolarHBondContact CA-O 3.13Å
94C95.8Very high91.4Very high0 Ų077.9 Ų77.90%042%0.419CS..BIsolated β-bridgetrans-65128.1173.41760000110.5G96 C97 F98 E99 I101 V114 H116 C119C94-G96 PolarHBondContact O-N 2.99Å; C94-G96 VanDerWaalsContact O-N 3.14Å; C94-G96 PolarHBondContact SG-N 3.14Å; C94-C97 VanDerWaalsContact SG-SG 3.69Å; C94-F98 WeakPolarHBondContact O-CA 3.23Å; C94-F98 PolarHBondContact O-N 3.1Å; C94-E99 PolarHBondContact N-O 3.23Å; C94-I101 HydrophobicContact CB-CD1 4.16Å; C94-I101 HydrophobicContact CB-CG1 4.04Å; C94-V114 CarbonylContact C-O 3.51Å; C94-V114 VanDerWaalsContact CA-O 3.3Å; C94-V114 WeakPolarHBondContact CA-O 3.4Å; C94-H116 VanDerWaalsContact CB-CE1 3.42Å; C94-H116 WeakPolarHBondContact CB-CE1 3.21Å; C94-H116 WeakPolarHBondContact CB-ND1 3.22Å; C94-H116 PolarHBondContact SG-N 3.29Å; C94-H116 VanDerWaalsContact SG-N 3.4Å; C94-H116 PolarHBondContact SG-ND1 3.3Å; C94-C119 VanDerWaalsContact SG-CB 3.54Å
95G93.3Very high91.5Very high24 Ų2474.1 Ų74.125%0.24741%0.407CS..THydrogen-bonded Turntrans-68.1-8.217600000114.3K93 V114K93-G95 PolarHBondContact O-N 3.31Å; G95-V114 PolarHBondContact N-O 2.87Å
96G92.5Very high91.7Very high42 Ų4281.1 Ų81.143%0.43344%0.436SS..THydrogen-bonded Turntrans-97.1-55.2178.800000113.2C94C94-G96 PolarHBondContact O-N 2.99Å; C94-G96 VanDerWaalsContact O-N 3.14Å; C94-G96 PolarHBondContact SG-N 3.14Å
97C93.6Very high91.9Very high49 Ų4980.5 Ų80.533%0.33144%0.439SS..THydrogen-bonded Turntrans-104.2-4.6-178.166.10000114.5C94 E99 H116 C119C94-C97 VanDerWaalsContact SG-SG 3.69Å; C97-E99 PolarHBondContact O-N 2.72Å; C97-H116 PolarHBondContact SG-CE1 3.34Å; C97-H116 PolarHBondContact SG-ND1 2.86Å; C97-C119 VanDerWaalsContact SG-SG 3.65Å
98F92.2Very high92.2Very high149 Ų14977.8 Ų77.865%0.65443%0.426SS*.  trans61.84.2-177.6-57.4-76.6000116.3K93 C94K93-F98 WeakPolarHBondContact CD-O 3.21Å; C94-F98 WeakPolarHBondContact O-CA 3.23Å; C94-F98 PolarHBondContact O-N 3.1Å
99E94.2Very high92.4Very high130 Ų13080.6 Ų80.661%0.60743%0.433SS*.PPolyproline II helixtrans-77153.6173-63.7-55.2145.600112K93 C94 C97K93-E99 CarbonylContact C-O 3.59Å; K93-E99 WeakPolarHBondContact CA-O 3.13Å; C94-E99 PolarHBondContact N-O 3.23Å; C97-E99 PolarHBondContact O-N 2.72Å
100A92.5Very high92.6Very high56 Ų5676.5 Ų76.546%0.46341%0.412SS..BIsolated β-bridgetrans-65.8132.8176.700000110.8A91A91-A100 HydrophobicContact CB-CB 3.54Å
101I93.7Very high92.6Very high20 Ų2081.6 Ų81.610%0.10344%0.437CS..PPolyproline II helixtrans-88.8131.3176.4-54.3-177000108.9V92 C94 E105 V107 V114V92-I101 HydrophobicContact CG1-CD1 4.44Å; V92-I101 PolarHBondContact O-N 3.05Å; C94-I101 HydrophobicContact CB-CD1 4.16Å; C94-I101 HydrophobicContact CB-CG1 4.04Å; I101-E105 HydrophobicContact CG2-CB 4.17Å; I101-V107 HydrophobicContact CD1-CG1 3.89Å; I101-V107 HydrophobicContact CG2-CG1 3.37Å; I101-V114 HydrophobicContact CD1-CB 3.92Å; I101-V114 HydrophobicContact CD1-CG1 3.5Å
102A90.4Very high92.6Very high42 Ų4290.3 Ų90.335%0.34747%0.469SS..PPolyproline II helixtrans-69.7144.517700000111.7N104 E105A102-N104 WeakPolarHBondContact CB-OD1 3.47Å; A102-N104 PolarHBondContact O-N 3.31Å; A102-N104 VanDerWaalsContact O-N 3.11Å; A102-E105 HydrophobicContact CB-CB 4.13Å; A102-E105 WeakPolarHBondContact O-CB 3.14Å; A102-E105 PolarHBondContact O-N 2.89Å
103P86Confident92.7Very high129 Ų12988.4 Ų88.484%0.83846%0.46SS*.THydrogen-bonded Turntrans-60.4-24.6-177.3-24.533.8000115.1
104N90.2Very high92.8Very high143 Ų14383.1 Ų83.177%0.76544%0.438SS*.THydrogen-bonded Turntrans-98.30.5178.962.8-45000113.2A102A102-N104 WeakPolarHBondContact CB-OD1 3.47Å; A102-N104 PolarHBondContact O-N 3.31Å; A102-N104 VanDerWaalsContact O-N 3.11Å
105E94.1Very high92.8Very high76 Ų7683.3 Ų83.336%0.35544%0.439SS..SBendtrans-81.9140.1179-164.7-176.2163.400111I101 A102 H116I101-E105 HydrophobicContact CG2-CB 4.17Å; A102-E105 HydrophobicContact CB-CB 4.13Å; A102-E105 WeakPolarHBondContact O-CB 3.14Å; A102-E105 PolarHBondContact O-N 2.89Å; E105-H116 VanDerWaalsContact CD-CD2 3.49Å; E105-H116 IonicContact OE1-CD2 2.72Å; E105-H116 PolarHBondContact OE1-CD2 2.79Å; E105-H116 IonicContact OE1-CG 2.76Å; E105-H116 IonicContact OE2-CD2 3.1Å; E105-H116 PolarHBondContact OE2-CD2 3.43Å; E105-H116 IonicContact OE2-NE2 2.72Å
106F94.9Very high92.9Very high165 Ų16583 Ų8372%0.72443%0.431SS*.  trans-70.3138.1170.8-68-69.6000110.7L117F106-L117 HydrophobicContact CB-CD1 3.73Å; F106-L117 HydrophobicContact CB-CD2 4.24Å; F106-L117 HydrophobicContact CB-CG 4.01Å
107V95.3Very high93.1Very high45 Ų4584.4 Ų84.427%0.27343%0.429SS..EExtended strand (participates in β ladder)trans-131.1151.7-177-64.60000112.2I101 R109 V114 Y115I101-V107 HydrophobicContact CD1-CG1 3.89Å; I101-V107 HydrophobicContact CG2-CG1 3.37Å; V107-R109 HydrophobicContact CG2-CG 4.44Å; V107-V114 HydrophobicContact CB-CG1 3.47Å; V107-V114 VanDerWaalsContact CB-CG1 3.47Å; V107-V114 HydrophobicContact CG1-CG1 3.7Å; V107-V114 HydrophobicContact CG2-CG1 3.66Å; V107-Y115 WeakPolarHBondContact CA-O 3.36Å; V107-Y115 WeakPolarHBondContact CB-O 3.37Å
108M95.3Very high93.1Very high31 Ų3186.1 Ų86.115%0.15344%0.441CS..EExtended strand (participates in β ladder)trans-95.4132.2163.2-65.4-61.1-78.300109V114 Y115 L117 F120M108-V114 CarbonylContact O-C 3.54Å; M108-Y115 PolarHBondContact N-O 3.07Å; M108-Y115 PolarHBondContact O-N 2.98Å; M108-L117 HydrophobicContact CG-CD2 3.76Å; M108-L117 HydrophobicContact SD-CD2 4.07Å; M108-F120 HydrophobicContact CB-CB 3.79Å; M108-F120 HydrophobicContact CB-CD1 3.85Å; M108-F120 HydrophobicContact CB-CD2 3.54Å; M108-F120 HydrophobicContact CB-CE1 4.34Å; M108-F120 HydrophobicContact CB-CE2 4.06Å; M108-F120 HydrophobicContact CB-CG 3.43Å; M108-F120 VanDerWaalsContact CB-CG 3.43Å; M108-F120 HydrophobicContact CB-CZ 4.43Å; M108-F120 HydrophobicContact CE-CD1 3.61Å; M108-F120 HydrophobicContact CE-CE1 3.51Å; M108-F120 HydrophobicContact CE-CG 4.43Å; M108-F120 HydrophobicContact CE-CZ 4.25Å; M108-F120 HydrophobicContact CG-CB 3.69Å; M108-F120 HydrophobicContact CG-CD1 3.65Å; M108-F120 HydrophobicContact CG-CD2 4.22Å; M108-F120 HydrophobicContact CG-CE1 4.35Å; M108-F120 HydrophobicContact CG-CG 3.58Å; M108-F120 HydrophobicContact SD-CD1 4.5Å
109R93.7Very high93.3Very high194 Ų19480.4 Ų80.473%0.73242%0.419SS*.EExtended strand (participates in β ladder)trans-106.4127.4174.4-68.5-176179.4-1110.9109V107 V114V107-R109 HydrophobicContact CG2-CG 4.44Å; R109-V114 HydrophobicContact CG-CG1 4.39Å; R109-V114 HydrophobicContact CG-CG2 4.29Å
110A92.7Very high93.4Very high4 Ų474.3 Ų74.33%0.03339%0.391CS..EExtended strand (participates in β ladder)trans-129.9109.7172.400000108.8K112 S113 Y115 F120 F135 L137 L142A110-K112 PolarHBondContact O-N 2.85Å; A110-K112 VanDerWaalsContact O-N 3.14Å; A110-S113 PolarHBondContact N-O 2.78Å; A110-S113 PolarHBondContact O-N 3.46Å; A110-Y115 HydrophobicContact CB-CE2 4.11Å; A110-F120 HydrophobicContact CB-CE2 3.97Å; A110-F135 HydrophobicContact CB-CE2 4Å; A110-F135 HydrophobicContact CB-CZ 4.11Å; A110-L137 HydrophobicContact CB-CD2 3.93Å; A110-L142 HydrophobicContact CB-CD2 4.5Å
111Q90.3Very high93.6Very high170 Ų17073.5 Ų73.579%0.79438%0.381SS*.THydrogen-bonded Turntrans55.3-112.5-176.1-56.5177.8-31.400112.3L137Q111-L137 HydrophobicContact CB-CD2 4.44Å; Q111-L137 HydrophobicContact CG-CD2 4.31Å
112K88.7Confident93.7Very high212 Ų21272.6 Ų72.692%0.92238%0.377SS*.THydrogen-bonded Turntrans-95.9-2.9-178-61.7179.7-177.4176.30113.3A110A110-K112 PolarHBondContact O-N 2.85Å; A110-K112 VanDerWaalsContact O-N 3.14Å
113S94Very high93.8Very high48 Ų4871.2 Ų71.234%0.33636%0.364SS..EExtended strand (participates in β ladder)trans-112.8149.6-175.5-62.30000111.5A110A110-S113 PolarHBondContact N-O 2.78Å; A110-S113 PolarHBondContact O-N 3.46Å
114V95Very high94.2Very high16 Ų1667.9 Ų67.910%0.09734%0.342CS..EExtended strand (participates in β ladder)trans-117.1143.6177.7-170.10000108.3V92 C94 G95 I101 V107 M108 R109V92-V114 HydrophobicContact CG1-CB 4.18Å; V92-V114 HydrophobicContact CG1-CG2 4.08Å; C94-V114 CarbonylContact C-O 3.51Å; C94-V114 VanDerWaalsContact CA-O 3.3Å; C94-V114 WeakPolarHBondContact CA-O 3.4Å; G95-V114 PolarHBondContact N-O 2.87Å; I101-V114 HydrophobicContact CD1-CB 3.92Å; I101-V114 HydrophobicContact CD1-CG1 3.5Å; V107-V114 HydrophobicContact CB-CG1 3.47Å; V107-V114 VanDerWaalsContact CB-CG1 3.47Å; V107-V114 HydrophobicContact CG1-CG1 3.7Å; V107-V114 HydrophobicContact CG2-CG1 3.66Å; M108-V114 CarbonylContact O-C 3.54Å; R109-V114 HydrophobicContact CG-CG1 4.39Å; R109-V114 HydrophobicContact CG-CG2 4.29Å
115Y96.1Very high94.4Very high5 Ų563.3 Ų63.32%0.0232%0.32CS..EExtended strand (participates in β ladder)trans-132.8144.8-177.8-60.9-99.2000109.9V107 M108 A110 F120 L142V107-Y115 WeakPolarHBondContact CA-O 3.36Å; V107-Y115 WeakPolarHBondContact CB-O 3.37Å; M108-Y115 PolarHBondContact N-O 3.07Å; M108-Y115 PolarHBondContact O-N 2.98Å; A110-Y115 HydrophobicContact CB-CE2 4.11Å; Y115-F120 AromaticContact CD2-CD2 3.98Å; Y115-F120 HydrophobicContact CD2-CD2 3.98Å; Y115-F120 HydrophobicContact CD2-CE2 4.31Å; Y115-F120 AromaticContact CG-CD2 3.97Å; Y115-F120 HydrophobicContact CG-CD2 3.97Å; Y115-L142 HydrophobicContact CD1-CD1 4.05Å; Y115-L142 HydrophobicContact CE1-CD1 3.95Å; Y115-L142 HydrophobicContact CG-CD1 4.4Å
116H96.7Very high94.3Very high18 Ų1866 Ų668%0.08333%0.333CS..EExtended strand (participates in β ladder)trans-57.3151.7162.3-55.5125.2000109.5C94 C97 E105 S118 C119 F120C94-H116 VanDerWaalsContact CB-CE1 3.42Å; C94-H116 WeakPolarHBondContact CB-CE1 3.21Å; C94-H116 WeakPolarHBondContact CB-ND1 3.22Å; C94-H116 PolarHBondContact SG-N 3.29Å; C94-H116 VanDerWaalsContact SG-N 3.4Å; C94-H116 PolarHBondContact SG-ND1 3.3Å; C97-H116 PolarHBondContact SG-CE1 3.34Å; C97-H116 PolarHBondContact SG-ND1 2.86Å; E105-H116 VanDerWaalsContact CD-CD2 3.49Å; E105-H116 IonicContact OE1-CD2 2.72Å; E105-H116 PolarHBondContact OE1-CD2 2.79Å; E105-H116 IonicContact OE1-CG 2.76Å; E105-H116 IonicContact OE2-CD2 3.1Å; E105-H116 PolarHBondContact OE2-CD2 3.43Å; E105-H116 IonicContact OE2-NE2 2.72Å; H116-S118 PolarHBondContact O-N 3.08Å; H116-C119 HydrophobicContact CB-CB 4.02Å; H116-C119 PolarHBondContact ND1-SG 2.77Å; H116-C119 VanDerWaalsContact ND1-SG 3.43Å; H116-C119 PolarHBondContact O-N 2.76Å; H116-C119 VanDerWaalsContact O-N 3.08Å; H116-F120 PolarHBondContact O-N 2.72Å
117L94.9Very high94.4Very high71 Ų7163.8 Ų63.837%0.37232%0.32SS..THydrogen-bonded Turntrans-54-44.2175-63.5-172.3000111.1F106 M108 C119 F120 Q128F106-L117 HydrophobicContact CB-CD1 3.73Å; F106-L117 HydrophobicContact CB-CD2 4.24Å; F106-L117 HydrophobicContact CB-CG 4.01Å; M108-L117 HydrophobicContact CG-CD2 3.76Å; M108-L117 HydrophobicContact SD-CD2 4.07Å; L117-C119 VanDerWaalsContact C-N 3.34Å; L117-C119 PolarHBondContact O-N 3.49Å; L117-F120 PolarHBondContact O-N 3.26Å; L117-Q128 PolarHBondContact O-NE2 3.06Å
118S95Very high94.4Very high85 Ų8565.9 Ų65.959%0.59433%0.326SS*.THydrogen-bonded Turntrans-69.1-29.2179.855.90000113.5H116 F120H116-S118 PolarHBondContact O-N 3.08Å; S118-F120 VanDerWaalsContact C-N 3.34Å
119C95.5Very high94.4Very high29 Ų2964.6 Ų64.620%0.19632%0.32CS..THydrogen-bonded Turntrans-83.7-11.7178-62.40000113.1C94 C97 H116 L117 C121C94-C119 VanDerWaalsContact SG-CB 3.54Å; C97-C119 VanDerWaalsContact SG-SG 3.65Å; H116-C119 HydrophobicContact CB-CB 4.02Å; H116-C119 PolarHBondContact ND1-SG 2.77Å; H116-C119 VanDerWaalsContact ND1-SG 3.43Å; H116-C119 PolarHBondContact O-N 2.76Å; H116-C119 VanDerWaalsContact O-N 3.08Å; L117-C119 VanDerWaalsContact C-N 3.34Å; L117-C119 PolarHBondContact O-N 3.49Å; C119-C121 VanDerWaalsContact C-N 3.25Å; C119-C121 PolarHBondContact O-N 3.24Å
120F96.7Very high94.4Very high1 Ų161.6 Ų61.60%0.00431%0.314CS..  trans-83.771.9178.2-161.9-105.2000110.2M108 A110 Y115 H116 L117 S118 L129 F135 L142M108-F120 HydrophobicContact CB-CB 3.79Å; M108-F120 HydrophobicContact CB-CD1 3.85Å; M108-F120 HydrophobicContact CB-CD2 3.54Å; M108-F120 HydrophobicContact CB-CE1 4.34Å; M108-F120 HydrophobicContact CB-CE2 4.06Å; M108-F120 HydrophobicContact CB-CG 3.43Å; M108-F120 VanDerWaalsContact CB-CG 3.43Å; M108-F120 HydrophobicContact CB-CZ 4.43Å; M108-F120 HydrophobicContact CE-CD1 3.61Å; M108-F120 HydrophobicContact CE-CE1 3.51Å; M108-F120 HydrophobicContact CE-CG 4.43Å; M108-F120 HydrophobicContact CE-CZ 4.25Å; M108-F120 HydrophobicContact CG-CB 3.69Å; M108-F120 HydrophobicContact CG-CD1 3.65Å; M108-F120 HydrophobicContact CG-CD2 4.22Å; M108-F120 HydrophobicContact CG-CE1 4.35Å; M108-F120 HydrophobicContact CG-CG 3.58Å; M108-F120 HydrophobicContact SD-CD1 4.5Å; A110-F120 HydrophobicContact CB-CE2 3.97Å; Y115-F120 AromaticContact CD2-CD2 3.98Å; Y115-F120 HydrophobicContact CD2-CD2 3.98Å; Y115-F120 HydrophobicContact CD2-CE2 4.31Å; Y115-F120 AromaticContact CG-CD2 3.97Å; Y115-F120 HydrophobicContact CG-CD2 3.97Å; H116-F120 PolarHBondContact O-N 2.72Å; L117-F120 PolarHBondContact O-N 3.26Å; S118-F120 VanDerWaalsContact C-N 3.34Å; F120-L129 HydrophobicContact CD1-CB 3.6Å; F120-L129 HydrophobicContact CD1-CD1 4.41Å; F120-L129 WeakPolarHBondContact CD1-O 3.3Å; F120-L129 HydrophobicContact CE1-CB 3.58Å; F120-L129 HydrophobicContact CE1-CD1 4.09Å; F120-L129 HydrophobicContact CE1-CG 4.5Å; F120-L129 HydrophobicContact CZ-CD1 4.49Å; F120-L129 PolarHBondContact O-N 3.44Å; F120-F135 HydrophobicContact CE1-CD1 4.31Å; F120-F135 HydrophobicContact CE1-CE1 4.26Å; F120-F135 HydrophobicContact CE2-CE2 4.33Å; F120-F135 HydrophobicContact CE2-CZ 4.38Å; F120-F135 HydrophobicContact CZ-CD1 4.03Å; F120-F135 HydrophobicContact CZ-CD2 4.09Å; F120-F135 AromaticContact CZ-CE1 3.72Å; F120-F135 HydrophobicContact CZ-CE1 3.72Å; F120-F135 AromaticContact CZ-CE2 3.79Å; F120-F135 HydrophobicContact CZ-CE2 3.79Å; F120-F135 HydrophobicContact CZ-CG 4.22Å; F120-F135 AromaticContact CZ-CZ 3.61Å; F120-F135 HydrophobicContact CZ-CZ 3.61Å; F120-L142 HydrophobicContact CD2-CD1 3.4Å; F120-L142 VanDerWaalsContact CD2-CD1 3.4Å; F120-L142 HydrophobicContact CD2-CD2 4.2Å; F120-L142 HydrophobicContact CD2-CG 4.46Å; F120-L142 HydrophobicContact CE2-CD1 3.65Å; F120-L142 HydrophobicContact CE2-CD2 3.52Å; F120-L142 HydrophobicContact CE2-CG 4.25Å; F120-L142 HydrophobicContact CG-CD1 4.14Å; F120-L142 HydrophobicContact CZ-CD2 4.03Å
121C96.4Very high94.3Very high40 Ų4070.6 Ų70.627%0.2735%0.353SS..BIsolated β-bridgetrans-129.8154.5-175.962.20000112.1C119 C123 R127 L142C119-C121 VanDerWaalsContact C-N 3.25Å; C119-C121 PolarHBondContact O-N 3.24Å; C121-C123 PolarHBondContact O-N 3.43Å; C121-R127 CarbonylContact C-O 3.59Å; C121-R127 WeakPolarHBondContact CA-O 3.43Å; C121-R127 WeakPolarHBondContact CB-O 3.36Å; C121-L142 WeakPolarHBondContact O-CB 3.36Å
122C96Very high94.5Very high0 Ų066.4 Ų66.40%036%0.355CS..  trans-64132.9174.4-177.80000110V124 C125 E126 R127 L142 C144 D147C122-V124 PolarHBondContact O-N 3.18Å; C122-V124 PolarHBondContact SG-N 3.35Å; C122-V124 VanDerWaalsContact SG-N 3.43Å; C122-C125 WeakPolarHBondContact CB-SG 3.48Å; C122-E126 WeakPolarHBondContact O-CA 3.36Å; C122-E126 PolarHBondContact O-N 3.07Å; C122-R127 PolarHBondContact N-O 3.12Å; C122-L142 CarbonylContact C-O 3.5Å; C122-L142 WeakPolarHBondContact CA-O 3.42Å; C122-C144 HydrophobicContact CB-CB 4.04Å; C122-C144 PolarHBondContact SG-N 3.4Å; C122-D147 PolarHBondContact SG-OD2 3.35Å
123C93.5Very high94.7Very high13 Ų1358.8 Ų58.89%0.08832%0.324CS..THydrogen-bonded Turntrans-75-9.3-176.392.60000112.7C121 Q141 L142 L143 T204 R208C121-C123 PolarHBondContact O-N 3.43Å; C123-Q141 HydrophobicContact CB-CB 4.48Å; C123-L142 VanDerWaalsContact CB-O 3.24Å; C123-L142 WeakPolarHBondContact CB-O 3.19Å; C123-L142 PolarHBondContact N-O 3.14Å; C123-L143 VanDerWaalsContact SG-CD2 3.59Å; C123-T204 VanDerWaalsContact SG-CG2 3.59Å; C123-R208 VanDerWaalsContact C-NH2 3.26Å; C123-R208 PolarHBondContact O-NE 3.17Å; C123-R208 PolarHBondContact O-NH2 2.64Å
124V92.9Very high94.8Very high60 Ų6062.3 Ų62.336%0.36434%0.336SS..THydrogen-bonded Turntrans-103.6-57-179.7174.40000111.6C122 L143 D147 T204C122-V124 PolarHBondContact O-N 3.18Å; C122-V124 PolarHBondContact SG-N 3.35Å; C122-V124 VanDerWaalsContact SG-N 3.43Å; V124-L143 HydrophobicContact CG2-CD2 3.54Å; V124-D147 HydrophobicContact CB-CB 3.98Å; V124-D147 WeakPolarHBondContact CB-OD2 3.17Å; V124-D147 HydrophobicContact CG1-CB 4.15Å; V124-D147 HydrophobicContact CG2-CB 4.33Å; V124-T204 HydrophobicContact CG2-CG2 3.45Å; V124-T204 VanDerWaalsContact CG2-CG2 3.45Å
125C94.6Very high94.9Very high46 Ų4665.2 Ų65.231%0.31135%0.347SS..THydrogen-bonded Turntrans-92.5-1.6179.762.30000114.7C122 R127 D147C122-C125 WeakPolarHBondContact CB-SG 3.48Å; C125-R127 PolarHBondContact O-N 2.92Å; C125-D147 WeakPolarHBondContact CB-OD2 3.43Å; C125-D147 PolarHBondContact N-OD2 2.92Å; C125-D147 PolarHBondContact SG-OD2 2.92Å
126E93.2Very high94.8Very high133 Ų13367 Ų6762%0.62136%0.358SS*.  trans59.85.9-179.5-59179.3-177.700114.5C122 Q128C122-E126 WeakPolarHBondContact O-CA 3.36Å; C122-E126 PolarHBondContact O-N 3.07Å; E126-Q128 PolarHBondContact O-N 3.29Å
127R95.1Very high94.7Very high119 Ų11967.6 Ų67.645%0.44936%0.362SS..PPolyproline II helixtrans-65.7129.2175.9177-176.5148.3-140.7-1.1110.9C121 C122 C125 L129 D133C121-R127 CarbonylContact C-O 3.59Å; C121-R127 WeakPolarHBondContact CA-O 3.43Å; C121-R127 WeakPolarHBondContact CB-O 3.36Å; C122-R127 PolarHBondContact N-O 3.12Å; C125-R127 PolarHBondContact O-N 2.92Å; R127-L129 PolarHBondContact O-N 2.86Å; R127-D133 IonicContact CZ-OD1 3.66Å; R127-D133 IonicContact CZ-OD2 2.7Å; R127-D133 IonicContact NH2-OD1 3.68Å; R127-D133 PolarHBondContact NH2-OD1 3.22Å; R127-D133 IonicContact NH2-OD2 3.32Å; R127-D133 PolarHBondContact NH2-OD2 2.87Å
128Q96.2Very high94.4Very high89 Ų8968.3 Ų68.342%0.41636%0.362SS..BIsolated β-bridgetrans-64.9125.5170.4-167.6177.914.200110.7L117 E126L117-Q128 PolarHBondContact O-NE2 3.06Å; E126-Q128 PolarHBondContact O-N 3.29Å
129L96Very high94Very high4 Ų471.1 Ų71.12%0.02137%0.366CS..PPolyproline II helixtrans-86.7127.9-179.3-62.3166.1000109.1F120 R127 D133 F135 L142 C144F120-L129 HydrophobicContact CD1-CB 3.6Å; F120-L129 HydrophobicContact CD1-CD1 4.41Å; F120-L129 WeakPolarHBondContact CD1-O 3.3Å; F120-L129 HydrophobicContact CE1-CB 3.58Å; F120-L129 HydrophobicContact CE1-CD1 4.09Å; F120-L129 HydrophobicContact CE1-CG 4.5Å; F120-L129 HydrophobicContact CZ-CD1 4.49Å; F120-L129 PolarHBondContact O-N 3.44Å; R127-L129 PolarHBondContact O-N 2.86Å; L129-D133 HydrophobicContact CD2-CB 4.43Å; L129-F135 HydrophobicContact CD1-CB 3.71Å; L129-F135 HydrophobicContact CD1-CG 4.2Å; L129-F135 HydrophobicContact CD2-CB 4.37Å; L129-L142 HydrophobicContact CD1-CB 4.29Å; L129-C144 HydrophobicContact CD2-CB 3.7Å
130Q93.5Very high93.6Very high131 Ų13172.1 Ų72.161%0.61238%0.381SS*.  trans-104.7173.1-176.8-63.4-168.8-12.800112.2G132 D133Q130-G132 PolarHBondContact O-N 2.82Å; Q130-D133 PolarHBondContact N-OD2 3.3Å; Q130-D133 WeakPolarHBondContact O-CB 3.44Å; Q130-D133 PolarHBondContact O-N 3.15Å; Q130-D133 VanDerWaalsContact O-N 3.08Å
131K90.8Very high93.4Very high193 Ų19374 Ų7484%0.83939%0.39SS*.THydrogen-bonded Turntrans-62.5126.4173.7-65.4-178.7-178.5179.70109.3
132G93.1Very high93.3Very high82 Ų8272.4 Ų72.485%0.84538%0.379SS*.THydrogen-bonded Turntrans97.3-14-175.400000114.1Q130Q130-G132 PolarHBondContact O-N 2.82Å
133D94.7Very high93.3Very high51 Ų5172.5 Ų72.527%0.27338%0.379SS..  trans-73.3135.4173.1-74.7-34.4000111.6R127 L129 Q130R127-D133 IonicContact CZ-OD1 3.66Å; R127-D133 IonicContact CZ-OD2 2.7Å; R127-D133 IonicContact NH2-OD1 3.68Å; R127-D133 PolarHBondContact NH2-OD1 3.22Å; R127-D133 IonicContact NH2-OD2 3.32Å; R127-D133 PolarHBondContact NH2-OD2 2.87Å; L129-D133 HydrophobicContact CD2-CB 4.43Å; Q130-D133 PolarHBondContact N-OD2 3.3Å; Q130-D133 WeakPolarHBondContact O-CB 3.44Å; Q130-D133 PolarHBondContact O-N 3.15Å; Q130-D133 VanDerWaalsContact O-N 3.08Å
134E95.7Very high93.4Very high122 Ų12272.2 Ų72.257%0.5738%0.377SS*.  trans-79.5128.7171.5-66.8173.388.800110.4K145E134-K145 HydrophobicContact CB-CB 3.84Å; E134-K145 HydrophobicContact CB-CD 3.87Å; E134-K145 HydrophobicContact CB-CG 4.44Å; E134-K145 VanDerWaalsContact CD-CD 3.46Å; E134-K145 VanDerWaalsContact CD-NZ 3.3Å; E134-K145 HydrophobicContact CG-CD 4.32Å; E134-K145 PolarHBondContact O-N 3.33Å; E134-K145 IonicContact OE1-NZ 3.52Å; E134-K145 PolarHBondContact OE1-NZ 3.08Å; E134-K145 VanDerWaalsContact OE1-NZ 3.1Å; E134-K145 WeakPolarHBondContact OE2-CD 3.3Å; E134-K145 IonicContact OE2-NZ 3.98Å; E134-K145 PolarHBondContact OE2-NZ 3.23Å
135F96.1Very high93.5Very high77 Ų7773 Ų7334%0.33838%0.376SS..EExtended strand (participates in β ladder)trans-143.8160.9179.474.6-86.3000111.7A110 F120 L129 L137 L142 L143A110-F135 HydrophobicContact CB-CE2 4Å; A110-F135 HydrophobicContact CB-CZ 4.11Å; F120-F135 HydrophobicContact CE1-CD1 4.31Å; F120-F135 HydrophobicContact CE1-CE1 4.26Å; F120-F135 HydrophobicContact CE2-CE2 4.33Å; F120-F135 HydrophobicContact CE2-CZ 4.38Å; F120-F135 HydrophobicContact CZ-CD1 4.03Å; F120-F135 HydrophobicContact CZ-CD2 4.09Å; F120-F135 AromaticContact CZ-CE1 3.72Å; F120-F135 HydrophobicContact CZ-CE1 3.72Å; F120-F135 AromaticContact CZ-CE2 3.79Å; F120-F135 HydrophobicContact CZ-CE2 3.79Å; F120-F135 HydrophobicContact CZ-CG 4.22Å; F120-F135 AromaticContact CZ-CZ 3.61Å; F120-F135 HydrophobicContact CZ-CZ 3.61Å; L129-F135 HydrophobicContact CD1-CB 3.71Å; L129-F135 HydrophobicContact CD1-CG 4.2Å; L129-F135 HydrophobicContact CD2-CB 4.37Å; F135-L137 HydrophobicContact CE2-CB 4.5Å; F135-L142 HydrophobicContact CD2-CD2 3.78Å; F135-L142 HydrophobicContact CE2-CD2 3.87Å; F135-L143 CarbonylContact C-O 3.18Å; F135-L143 WeakPolarHBondContact CA-O 3.44Å; F135-L143 WeakPolarHBondContact CB-O 3.47Å
136V94.6Very high93.6Very high43 Ų4372.2 Ų72.226%0.26138%0.376SS..EExtended strand (participates in β ladder)trans-122.2131.5175.3179.30000109.1L143 Y148V136-L143 PolarHBondContact N-O 3.17Å; V136-L143 PolarHBondContact O-N 3.47Å; V136-Y148 HydrophobicContact CB-CD2 3.9Å; V136-Y148 HydrophobicContact CB-CE2 4.25Å; V136-Y148 HydrophobicContact CB-CG 4.07Å; V136-Y148 HydrophobicContact CG1-CD2 3.91Å; V136-Y148 HydrophobicContact CG1-CE2 3.79Å; V136-Y148 HydrophobicContact CG2-CD1 3.73Å; V136-Y148 HydrophobicContact CG2-CD2 3.93Å; V136-Y148 HydrophobicContact CG2-CE1 4.02Å; V136-Y148 HydrophobicContact CG2-CE2 4.21Å; V136-Y148 HydrophobicContact CG2-CG 3.67Å
137L94Very high93.7Very high30 Ų3066.9 Ų66.916%0.15735%0.351CS..EExtended strand (participates in β ladder)trans-100.8104.6171.2-178.859.9000109.1A110 Q111 F135 Q141 L142A110-L137 HydrophobicContact CB-CD2 3.93Å; Q111-L137 HydrophobicContact CB-CD2 4.44Å; Q111-L137 HydrophobicContact CG-CD2 4.31Å; F135-L137 HydrophobicContact CE2-CB 4.5Å; L137-Q141 WeakPolarHBondContact CA-O 3.12Å; L137-L142 HydrophobicContact CB-CD2 4.37Å; L137-L142 HydrophobicContact CD1-CD2 3.81Å; L137-L142 HydrophobicContact CD1-CG 4.13Å
138K89.2Confident93.7Very high86 Ų8665 Ų6537%0.37435%0.345SS..EExtended strand (participates in β ladder)trans-116.7119.6-179.6-176.8-176.4177.4-174.90109.7G140 Q141 L143K138-G140 PolarHBondContact O-N 3.33Å; K138-G140 VanDerWaalsContact O-N 3.12Å; K138-Q141 PolarHBondContact N-O 3.26Å; K138-Q141 WeakPolarHBondContact O-CA 3.44Å; K138-Q141 VanDerWaalsContact O-CB 3.3Å; K138-Q141 WeakPolarHBondContact O-CB 3.41Å; K138-Q141 PolarHBondContact O-N 3.43Å; K138-L143 HydrophobicContact CB-CD1 4.37Å
139E86.4Confident93.6Very high144 Ų14465 Ų6567%0.67335%0.345SS*.THydrogen-bonded Turntrans51.536.2178.1-61.8169.8-157.300113.7Q141E139-Q141 VanDerWaalsContact C-N 3.28Å; E139-Q141 PolarHBondContact O-N 2.85Å
140G87.9Confident93.5Very high50 Ų5070.1 Ų70.152%0.51537%0.367SS..THydrogen-bonded Turntrans80.8-0.5-176.200000115.2K138K138-G140 PolarHBondContact O-N 3.33Å; K138-G140 VanDerWaalsContact O-N 3.12Å
141Q91.1Very high93.3Very high40 Ų4064.6 Ų64.619%0.18734%0.341CS..EExtended strand (participates in β ladder)trans-97.2128176.7-55.4-1781.200111.1C123 L137 K138 E139C123-Q141 HydrophobicContact CB-CB 4.48Å; L137-Q141 WeakPolarHBondContact CA-O 3.12Å; K138-Q141 PolarHBondContact N-O 3.26Å; K138-Q141 WeakPolarHBondContact O-CA 3.44Å; K138-Q141 VanDerWaalsContact O-CB 3.3Å; K138-Q141 WeakPolarHBondContact O-CB 3.41Å; K138-Q141 PolarHBondContact O-N 3.43Å; E139-Q141 VanDerWaalsContact C-N 3.28Å; E139-Q141 PolarHBondContact O-N 2.85Å
142L94.9Very high93.4Very high8 Ų863.1 Ų63.14%0.04233%0.33CS..EExtended strand (participates in β ladder)trans-85.9126.2174.9-67.9165.9000109.9A110 Y115 F120 C121 C122 C123 L129 F135 L137A110-L142 HydrophobicContact CB-CD2 4.5Å; Y115-L142 HydrophobicContact CD1-CD1 4.05Å; Y115-L142 HydrophobicContact CE1-CD1 3.95Å; Y115-L142 HydrophobicContact CG-CD1 4.4Å; F120-L142 HydrophobicContact CD2-CD1 3.4Å; F120-L142 VanDerWaalsContact CD2-CD1 3.4Å; F120-L142 HydrophobicContact CD2-CD2 4.2Å; F120-L142 HydrophobicContact CD2-CG 4.46Å; F120-L142 HydrophobicContact CE2-CD1 3.65Å; F120-L142 HydrophobicContact CE2-CD2 3.52Å; F120-L142 HydrophobicContact CE2-CG 4.25Å; F120-L142 HydrophobicContact CG-CD1 4.14Å; F120-L142 HydrophobicContact CZ-CD2 4.03Å; C121-L142 WeakPolarHBondContact O-CB 3.36Å; C122-L142 CarbonylContact C-O 3.5Å; C122-L142 WeakPolarHBondContact CA-O 3.42Å; C123-L142 VanDerWaalsContact CB-O 3.24Å; C123-L142 WeakPolarHBondContact CB-O 3.19Å; C123-L142 PolarHBondContact N-O 3.14Å; L129-L142 HydrophobicContact CD1-CB 4.29Å; F135-L142 HydrophobicContact CD2-CD2 3.78Å; F135-L142 HydrophobicContact CE2-CD2 3.87Å; L137-L142 HydrophobicContact CB-CD2 4.37Å; L137-L142 HydrophobicContact CD1-CD2 3.81Å; L137-L142 HydrophobicContact CD1-CG 4.13Å
143L95.2Very high93.4Very high1 Ų165.1 Ų65.11%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-124.7131177.8-70.8154.8000108.7C123 V124 F135 V136 K138 Y148 T204C123-L143 VanDerWaalsContact SG-CD2 3.59Å; V124-L143 HydrophobicContact CG2-CD2 3.54Å; F135-L143 CarbonylContact C-O 3.18Å; F135-L143 WeakPolarHBondContact CA-O 3.44Å; F135-L143 WeakPolarHBondContact CB-O 3.47Å; V136-L143 PolarHBondContact N-O 3.17Å; V136-L143 PolarHBondContact O-N 3.47Å; K138-L143 HydrophobicContact CB-CD1 4.37Å; L143-Y148 HydrophobicContact CD1-CD2 4.27Å; L143-T204 HydrophobicContact CD2-CG2 4.38Å
144C96.4Very high93Very high8 Ų865.6 Ų65.65%0.05432%0.32CS..EExtended strand (participates in β ladder)trans-67.9155.5169.8770000109.5C122 L129 G146 D147 Y148C122-C144 HydrophobicContact CB-CB 4.04Å; C122-C144 PolarHBondContact SG-N 3.4Å; L129-C144 HydrophobicContact CD2-CB 3.7Å; C144-G146 VanDerWaalsContact C-N 3.26Å; C144-G146 PolarHBondContact O-N 3.45Å; C144-D147 PolarHBondContact O-N 3.03Å; C144-D147 VanDerWaalsContact SG-CG 3.54Å; C144-D147 PolarHBondContact SG-N 3.44Å; C144-D147 PolarHBondContact SG-OD2 2.82Å; C144-Y148 WeakPolarHBondContact O-CB 3.4Å; C144-Y148 PolarHBondContact O-N 3.04Å
145K95.4Very high92.6Very high76 Ų7663 Ų6333%0.3331%0.309SS..Hα-helixtrans-48.1-48177.3176.3175-180177.10113.2E134 D147 Y148 E149E134-K145 HydrophobicContact CB-CB 3.84Å; E134-K145 HydrophobicContact CB-CD 3.87Å; E134-K145 HydrophobicContact CB-CG 4.44Å; E134-K145 VanDerWaalsContact CD-CD 3.46Å; E134-K145 VanDerWaalsContact CD-NZ 3.3Å; E134-K145 HydrophobicContact CG-CD 4.32Å; E134-K145 PolarHBondContact O-N 3.33Å; E134-K145 IonicContact OE1-NZ 3.52Å; E134-K145 PolarHBondContact OE1-NZ 3.08Å; E134-K145 VanDerWaalsContact OE1-NZ 3.1Å; E134-K145 WeakPolarHBondContact OE2-CD 3.3Å; E134-K145 IonicContact OE2-NZ 3.98Å; E134-K145 PolarHBondContact OE2-NZ 3.23Å; K145-D147 PolarHBondContact O-N 3.03Å; K145-Y148 PolarHBondContact O-N 2.81Å; K145-E149 WeakPolarHBondContact CE-OE1 3.45Å; K145-E149 HydrophobicContact CG-CG 4.32Å; K145-E149 WeakPolarHBondContact CG-OE1 3.44Å; K145-E149 WeakPolarHBondContact O-CB 3.35Å; K145-E149 WeakPolarHBondContact O-CG 3.36Å; K145-E149 PolarHBondContact O-N 3.42Å
146G95.2Very high92.3Very high30 Ų3062.6 Ų62.631%0.30932%0.317SS..Hα-helixtrans-61.5-43.5-178.200000113.4C144 K150C144-G146 VanDerWaalsContact C-N 3.26Å; C144-G146 PolarHBondContact O-N 3.45Å; G146-K150 WeakPolarHBondContact O-CB 3.44Å; G146-K150 WeakPolarHBondContact O-CD 3.41Å; G146-K150 WeakPolarHBondContact O-CG 3.24Å; G146-K150 PolarHBondContact O-N 2.69Å; G146-K150 VanDerWaalsContact O-N 3.08Å
147D95.3Very high91.8Very high20 Ų2067.1 Ų67.111%0.10734%0.338CS..Hα-helixtrans-74.2-33.1178.8-69.9-31.1000112C122 V124 C125 C144 K145 E151C122-D147 PolarHBondContact SG-OD2 3.35Å; V124-D147 HydrophobicContact CB-CB 3.98Å; V124-D147 WeakPolarHBondContact CB-OD2 3.17Å; V124-D147 HydrophobicContact CG1-CB 4.15Å; V124-D147 HydrophobicContact CG2-CB 4.33Å; C125-D147 WeakPolarHBondContact CB-OD2 3.43Å; C125-D147 PolarHBondContact N-OD2 2.92Å; C125-D147 PolarHBondContact SG-OD2 2.92Å; C144-D147 PolarHBondContact O-N 3.03Å; C144-D147 VanDerWaalsContact SG-CG 3.54Å; C144-D147 PolarHBondContact SG-N 3.44Å; C144-D147 PolarHBondContact SG-OD2 2.82Å; K145-D147 PolarHBondContact O-N 3.03Å; D147-E151 VanDerWaalsContact O-CB 3.31Å; D147-E151 WeakPolarHBondContact O-CB 3.31Å; D147-E151 PolarHBondContact O-N 2.9Å
148Y95.3Very high90.9Very high81 Ų8169 Ų6932%0.31835%0.351SS..Hα-helixtrans-64.5-47.1174.1178.4-102.9000111.8V136 L143 C144 K145 E151 R152V136-Y148 HydrophobicContact CB-CD2 3.9Å; V136-Y148 HydrophobicContact CB-CE2 4.25Å; V136-Y148 HydrophobicContact CB-CG 4.07Å; V136-Y148 HydrophobicContact CG1-CD2 3.91Å; V136-Y148 HydrophobicContact CG1-CE2 3.79Å; V136-Y148 HydrophobicContact CG2-CD1 3.73Å; V136-Y148 HydrophobicContact CG2-CD2 3.93Å; V136-Y148 HydrophobicContact CG2-CE1 4.02Å; V136-Y148 HydrophobicContact CG2-CE2 4.21Å; V136-Y148 HydrophobicContact CG2-CG 3.67Å; L143-Y148 HydrophobicContact CD1-CD2 4.27Å; C144-Y148 WeakPolarHBondContact O-CB 3.4Å; C144-Y148 PolarHBondContact O-N 3.04Å; K145-Y148 PolarHBondContact O-N 2.81Å; Y148-E151 PolarHBondContact O-N 3.34Å; Y148-R152 WeakPolarHBondContact O-CB 3.1Å; Y148-R152 PolarHBondContact O-N 3.08Å
149E95.2Very high89.6Confident88 Ų8868.9 Ų68.941%0.41136%0.361SS..Hα-helixtrans-63.2-46177.9-74.4173.8172.400111.6K145 E151 R152 E153K145-E149 WeakPolarHBondContact CE-OE1 3.45Å; K145-E149 HydrophobicContact CG-CG 4.32Å; K145-E149 WeakPolarHBondContact CG-OE1 3.44Å; K145-E149 WeakPolarHBondContact O-CB 3.35Å; K145-E149 WeakPolarHBondContact O-CG 3.36Å; K145-E149 PolarHBondContact O-N 3.42Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E149-E151 PolarHBondContact O-N 3.43Å; E149-R152 PolarHBondContact O-N 3.22Å; E149-E153 WeakPolarHBondContact O-CB 3.46Å; E149-E153 PolarHBondContact O-N 2.9Å
150K93.1Very high88.5Confident111 Ų11168.2 Ų68.248%0.48337%0.369SS..Hα-helixtrans-59.2-43.9174.9-73.6170.1-169.1170.40111.9G146 L154G146-K150 WeakPolarHBondContact O-CB 3.44Å; G146-K150 WeakPolarHBondContact O-CD 3.41Å; G146-K150 WeakPolarHBondContact O-CG 3.24Å; G146-K150 PolarHBondContact O-N 2.69Å; G146-K150 VanDerWaalsContact O-N 3.08Å; K150-L154 WeakPolarHBondContact O-CB 3.45Å; K150-L154 PolarHBondContact O-N 3.4Å
151E90.8Very high86.6Confident16 Ų1669.7 Ų69.78%0.07538%0.377CS..Hα-helixtrans-62.8-46.6176.6178172.6-114.300110.7D147 Y148 E149 E153 L154 L155 T204 R207D147-E151 VanDerWaalsContact O-CB 3.31Å; D147-E151 WeakPolarHBondContact O-CB 3.31Å; D147-E151 PolarHBondContact O-N 2.9Å; Y148-E151 PolarHBondContact O-N 3.34Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E149-E151 PolarHBondContact O-N 3.43Å; E151-E153 PolarHBondContact O-N 2.89Å; E151-L154 PolarHBondContact O-N 2.76Å; E151-L155 HydrophobicContact CG-CD1 3.59Å; E151-L155 WeakPolarHBondContact O-CD1 3.12Å; E151-L155 PolarHBondContact O-N 2.63Å; E151-T204 WeakPolarHBondContact OE1-CB 3.11Å; E151-T204 PolarHBondContact OE1-N 3.48Å; E151-T204 PolarHBondContact OE1-OG1 2.85Å; E151-R207 IonicContact OE1-NH2 4Å
152R91.5Very high84.5Confident162 Ų16272.1 Ų72.161%0.61140%0.404SS*.Hα-helixtrans-60-46.9179.9-174.1-173.269119.21.1111.8Y148 E149 L155 S156Y148-R152 WeakPolarHBondContact O-CB 3.1Å; Y148-R152 PolarHBondContact O-N 3.08Å; E149-R152 PolarHBondContact O-N 3.22Å; R152-L155 PolarHBondContact O-N 3.05Å; R152-S156 PolarHBondContact O-N 3.34Å
153E92.9Very high82.1Confident123 Ų12377.9 Ų77.958%0.57545%0.445SS*.Hα-helixtrans-60.5-47.4176.1-177178.1-165.100110.8E149 E151 L155 S156 L157E149-E153 WeakPolarHBondContact O-CB 3.46Å; E149-E153 PolarHBondContact O-N 2.9Å; E151-E153 PolarHBondContact O-N 2.89Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 2.96Å; E153-S156 WeakPolarHBondContact O-CB 3.18Å; E153-S156 PolarHBondContact O-N 3.39Å; E153-S156 PolarHBondContact O-OG 3.22Å; E153-L157 PolarHBondContact O-N 3.26Å
154L87.7Confident79.9Confident62 Ų6284 Ų8433%0.32548%0.477SS..Hα-helixtrans-63.6-35.6-179.6-172.964.5000112.8K150 E151 V158 I201K150-L154 WeakPolarHBondContact O-CB 3.45Å; K150-L154 PolarHBondContact O-N 3.4Å; E151-L154 PolarHBondContact O-N 2.76Å; L154-V158 WeakPolarHBondContact O-CG2 3.06Å; L154-I201 HydrophobicContact CD1-CD1 4.19Å; L154-I201 HydrophobicContact CD1-CG1 4.34Å; L154-I201 HydrophobicContact CD1-CG2 4.2Å; L154-I201 HydrophobicContact CD2-CG2 3.56Å; L154-I201 HydrophobicContact CG-CG2 3.54Å
155L87Confident77.5Confident66 Ų6688.5 Ų88.535%0.34651%0.509SS..Hα-helixtrans-72.6-32173-90.178.2000112.4E151 R152 E153 L157 V158 S159E151-L155 HydrophobicContact CG-CD1 3.59Å; E151-L155 WeakPolarHBondContact O-CD1 3.12Å; E151-L155 PolarHBondContact O-N 2.63Å; R152-L155 PolarHBondContact O-N 3.05Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 2.96Å; L155-L157 VanDerWaalsContact C-N 3.33Å; L155-L157 PolarHBondContact O-N 2.88Å; L155-V158 PolarHBondContact O-N 3.48Å; L155-S159 PolarHBondContact O-N 3.27Å
156S88.7Confident75.2Confident70 Ų7088.5 Ų88.549%0.4953%0.531SS..Hα-helixtrans-64.2-37.9178.176.10000112.4R152 E153 V158 S159R152-S156 PolarHBondContact O-N 3.34Å; E153-S156 WeakPolarHBondContact O-CB 3.18Å; E153-S156 PolarHBondContact O-N 3.39Å; E153-S156 PolarHBondContact O-OG 3.22Å; S156-V158 PolarHBondContact O-N 2.9Å; S156-S159 PolarHBondContact O-N 2.97Å
157L84Confident72.6Confident137 Ų13795.5 Ų95.572%0.71755%0.552SS**THydrogen-bonded Turntrans-67.5-14.5177.6-63.8175.8000114E153 L155E153-L157 PolarHBondContact O-N 3.26Å; L155-L157 VanDerWaalsContact C-N 3.33Å; L155-L157 PolarHBondContact O-N 2.88Å
158V76.4Confident70.5Confident69 Ų6999.9 Ų99.942%0.41859%0.585SS.*THydrogen-bonded Turntrans-98.2-21-178178.70000111.7L154 L155 S156 P160 I201L154-V158 WeakPolarHBondContact O-CG2 3.06Å; L155-V158 PolarHBondContact O-N 3.48Å; S156-V158 PolarHBondContact O-N 2.9Å; V158-P160 WeakPolarHBondContact O-CD 3.43Å; V158-I201 HydrophobicContact CG2-CB 3.74Å; V158-I201 HydrophobicContact CG2-CG1 3.33Å; V158-I201 HydrophobicContact CG2-CG2 4.49Å
159S61.9Low68.2Low84 Ų84101.4 Ų101.459%0.58760%0.598SS**SBendtrans-57.9112.8176.9-68.90000107.6L155 S156 A161L155-S159 PolarHBondContact O-N 3.27Å; S156-S159 PolarHBondContact O-N 2.97Å; S159-A161 PolarHBondContact O-N 2.93Å
160P61.6Low65.5Low130 Ų130103.6 Ų103.684%0.84461%0.613SS**  trans-7673.4174.222.6-11.8000105.9V158 A162V158-P160 WeakPolarHBondContact O-CD 3.43Å; P160-A162 PolarHBondContact O-N 2.88Å; P160-A162 VanDerWaalsContact O-N 3.09Å
161A49.9Very low63.6Low82 Ų82106.9 Ų106.968%0.67863%0.63SS**  trans-58.2116.4156.600000104.2S159 S163S159-A161 PolarHBondContact O-N 2.93Å; A161-S163 PolarHBondContact O-N 2.57Å
162A45Very low61.1Low91 Ų91113.9 Ų113.975%0.75266%0.663SS**  trans-51.596.9167.700000107.2P160 D164P160-A162 PolarHBondContact O-N 2.88Å; P160-A162 VanDerWaalsContact O-N 3.09Å; A162-D164 PolarHBondContact O-N 3.49Å
163S46Very low58.5Low129 Ų129111.3 Ų111.390%0.90267%0.67SS**  trans-71.472.1150.9-71.60000106.2A161A161-S163 PolarHBondContact O-N 2.57Å
164D47.9Very low56.1Low129 Ų129112 Ų11269%0.6968%0.677SS**  trans-57.9145.1146-17917.9000108.9A162A162-D164 PolarHBondContact O-N 3.49Å
165S47.7Very low53.3Low102 Ų102114.4 Ų114.471%0.71370%0.697SS**  trans64.193.1163.4-16.10000119.3
166G45.6Very low51Low77 Ų77121 Ų12179%0.79472%0.723SS**  trans-144.359.815700000109.8S168G166-S168 PolarHBondContact O-N 3.33Å; G166-S168 VanDerWaalsContact O-N 3.08Å
167K41.7Very low48.1Very low176 Ų176123.3 Ų123.377%0.76574%0.739SS**  trans-66.495.1169.9-173.7173.416660.30106.7D169K167-D169 IonicContact NZ-OD1 3.6Å
168S51.7Low46Very low113 Ų113121 Ų12179%0.7974%0.74SS**  trans-93.5108.6160.266.50000106.4G166G166-S168 PolarHBondContact O-N 3.33Å; G166-S168 VanDerWaalsContact O-N 3.08Å
169D46.9Very low44Very low112 Ų112127.1 Ų127.160%0.59976%0.764SS**  trans-54.8147.7178-79.8-57.8000112.1K167K167-D169 IonicContact NZ-OD1 3.6Å
170D38.1Very low42.8Very low135 Ų135126.9 Ų126.972%0.72277%0.774SS**  trans-44.1131.9167.4-67.8-93.9000112.5
171E51.9Low41.7Very low180 Ų180126.4 Ų126.484%0.84178%0.782SS**  trans-134.3111.8148.6-68.2-67.914700107.2
172E39.1Very low41.2Very low162 Ų162125.9 Ų125.976%0.75778%0.784SS**  trans-68175.1175.156.4-131.48900114.3
173S37.6Very low40.6Very low108 Ų108132.3 Ų132.376%0.75580%0.795SS**  trans92130167.9-1450000114.8
174L41.2Very low40.2Very low138 Ų138129.5 Ų129.572%0.72379%0.786SS**  cis-156.8133.414.1-167.963.7000108.8
175C29.4Very low39.6Very low112 Ų112130.3 Ų130.376%0.75780%0.796SS**  trans-63.3133.9166.7420000111.7
176K39.2Very low39.3Very low204 Ų204129.9 Ų129.989%0.88780%0.799SS**  trans-145110.6158.5-110.3179.5176.5-178.40111.7
177S27.1Very low39Very low119 Ų119135.2 Ų135.283%0.83280%0.803SS**  trans-62.8146.6171.5-45.20000113
178A41.1Very low38.8Very low89 Ų89136.5 Ų136.574%0.73681%0.812SS**  trans-169.2113.5135.800000111.8
179H34.3Very low38.6Very low198 Ų198133.9 Ų133.992%0.91780%0.803SS**  trans37114.5146.5-65.8-75.6000121.7
180G36.9Very low38.6Very low78 Ų78136.4 Ų136.480%0.80481%0.809SS**  trans-158.599.9152.400000109.9G182G180-G182 PolarHBondContact O-N 3.48Å; G180-G182 VanDerWaalsContact O-N 3.16Å
181A36.9Very low39.3Very low121 Ų121137.1 Ų137.1100%181%0.812SS**  trans-71.6101.917800000110.2
182G38.9Very low39.9Very low71 Ų71135.7 Ų135.773%0.73281%0.805SS**  trans-132.5109.1175.500000110.3G180 G184G180-G182 PolarHBondContact O-N 3.48Å; G180-G182 VanDerWaalsContact O-N 3.16Å; G182-G184 PolarHBondContact O-N 2.98Å
183K33.6Very low41Very low225 Ų225137 Ų13798%0.97881%0.809SS**  trans-69.3103.5179.4-170.9177.5-179.7-179.10109.6
184G37.3Very low42.6Very low70 Ų70140.8 Ų140.872%0.72281%0.806SS**  trans-170.989.8175.500000110.9G182 A186G182-G184 PolarHBondContact O-N 2.98Å; G184-A186 PolarHBondContact O-N 2.92Å
185T34.7Very low44.2Very low147 Ų147139.5 Ų139.590%0.90281%0.806SS**  trans-66.6116174.739.10000111.8
186A42.2Very low46.6Very low92 Ų92143.9 Ų143.976%0.7681%0.812SS**  trans16992.8138.300000110.2G184G184-A186 PolarHBondContact O-N 2.92Å
187E38.5Very low48.5Very low189 Ų189144 Ų14488%0.88381%0.807SS**  trans31.896.3143.9-60.4-72.4109.400117.2G189E187-G189 PolarHBondContact O-N 2.83Å
188E38.8Very low51.2Low203 Ų203144.4 Ų144.495%0.94981%0.807SS**  trans-62.786.3157.1-83-144124.500109.6K190E188-K190 PolarHBondContact O-N 3.18Å
189G47.5Very low53.3Low59 Ų59150.3 Ų150.361%0.60881%0.81SS**  trans-64.398.7164.700000108.9E187 D191E187-G189 PolarHBondContact O-N 2.83Å; G189-D191 PolarHBondContact O-N 3.46Å
190K47.1Very low55.9Low165 Ų165144.6 Ų144.672%0.71779%0.789SS**  trans-31.297.5159.4-173.2175.9-177.6177.10109.7E188 H192E188-K190 PolarHBondContact O-N 3.18Å; K190-H192 PolarHBondContact O-CD2 3.25Å; K190-H192 PolarHBondContact O-N 2.92Å
191D51.8Low58.5Low150 Ų150143 Ų14380%0.80276%0.762SS**  trans-6583.3178.9-100.1-59.7000108.2G189 K193G189-D191 PolarHBondContact O-N 3.46Å; D191-K193 PolarHBondContact O-N 3.36Å
192H65.5Low61.1Low149 Ų149138.3 Ų138.369%0.6972%0.72SS**  trans-61.687.8162.2-77.8-71.9000106.3K190 R194K190-H192 PolarHBondContact O-CD2 3.25Å; K190-H192 PolarHBondContact O-N 2.92Å; H192-R194 VanDerWaalsContact C-N 3.29Å; H192-R194 PolarHBondContact O-N 2.96Å
193K61.4Low63.6Low191 Ų191136.8 Ų136.883%0.8370%0.696SS**  trans-46.895.1176.3-73.1178.3178.31790108.2D191 P195D191-K193 PolarHBondContact O-N 3.36Å; K193-P195 WeakPolarHBondContact O-CD 3.44Å; K193-P195 VanDerWaalsContact O-N 3.13Å
194R70.1Confident66.3Low187 Ų187126.2 Ų126.271%0.70665%0.651SS**PPolyproline II helixtrans-53.5123.4-178.6-162.1-177.5-164.9-68.1-3106.8H192 K196H192-R194 VanDerWaalsContact C-N 3.29Å; H192-R194 PolarHBondContact O-N 2.96Å; R194-K196 PolarHBondContact O-N 3.43Å; R194-K196 VanDerWaalsContact O-N 3.09Å
195P75.7Confident68.9Low110 Ų110128.1 Ų128.171%0.71464%0.641SS**PPolyproline II helixtrans-50.7123.6-179.4-29.735.1000110K193 R197K193-P195 WeakPolarHBondContact O-CD 3.44Å; K193-P195 VanDerWaalsContact O-N 3.13Å; P195-R197 PolarHBondContact O-N 3.32Å
196K79.8Confident71.8Confident205 Ų205122.5 Ų122.589%0.89160%0.604SS**PPolyproline II helixtrans-60.6130.7178.4-76.2-179.8-179.3175.40107.8R194R194-K196 PolarHBondContact O-N 3.43Å; R194-K196 VanDerWaalsContact O-N 3.09Å
197R78.9Confident74.3Confident206 Ų206122 Ų12278%0.77758%0.583SS**PPolyproline II helixtrans-61.6137-178.8-62.4-178.5-174.1-167.20.5109.6P195 R199P195-R197 PolarHBondContact O-N 3.32Å; R197-R199 PolarHBondContact O-N 3.4Å
198P83.6Confident76.9Confident127 Ų127118 Ų11883%0.82556%0.56SS**PPolyproline II helixtrans-52.8136.1174.6-26.734.2000111.5
199R86.2Confident79.7Confident213 Ų213109.9 Ų109.980%0.80453%0.527SS*.PPolyproline II helixtrans-78126.2178.4-168176.7-160.8136.52.4109.2R197 I201R197-R199 PolarHBondContact O-N 3.4Å; R199-I201 HydrophobicContact CG-CD1 4.19Å; R199-I201 PolarHBondContact O-N 3.24Å
200T89.1Confident82.1Confident78 Ų78107.1 Ų107.148%0.47950%0.498SS..PPolyproline II helixtrans-71.2120168.4-49.30000109.4L234 V238T200-L234 HydrophobicContact CG2-CD2 3.93Å; T200-V238 HydrophobicContact CG2-CG1 4.36Å; T200-V238 HydrophobicContact CG2-CG2 4.48Å
201I90.9Very high84.4Confident44 Ų44104 Ų10423%0.22649%0.485CS..PPolyproline II helixtrans-99.1135171.2-61.3-51.3000108.2L154 V158 R199L154-I201 HydrophobicContact CD1-CD1 4.19Å; L154-I201 HydrophobicContact CD1-CG1 4.34Å; L154-I201 HydrophobicContact CD1-CG2 4.2Å; L154-I201 HydrophobicContact CD2-CG2 3.56Å; L154-I201 HydrophobicContact CG-CG2 3.54Å; V158-I201 HydrophobicContact CG2-CB 3.74Å; V158-I201 HydrophobicContact CG2-CG1 3.33Å; V158-I201 HydrophobicContact CG2-CG2 4.49Å; R199-I201 HydrophobicContact CG-CD1 4.19Å; R199-I201 PolarHBondContact O-N 3.24Å
202L91.5Very high86.5Confident23 Ų2399.3 Ų99.312%0.1247%0.467CS..PPolyproline II helixtrans-88.1142.6176.1-55.7-177.4000110.2Q206 R207 F210 L234 V238 W242L202-Q206 VanDerWaalsContact CA-OE1 3.26Å; L202-Q206 HydrophobicContact CB-CB 4.31Å; L202-R207 HydrophobicContact CB-CG 3.99Å; L202-R207 PolarHBondContact O-NH1 3.23Å; L202-F210 HydrophobicContact CD1-CD2 3.91Å; L202-F210 HydrophobicContact CD1-CE2 3.88Å; L202-F210 HydrophobicContact CD2-CE2 4.11Å; L202-L234 HydrophobicContact CD2-CD1 3.39Å; L202-L234 HydrophobicContact CD2-CD2 4.29Å; L202-L234 HydrophobicContact CD2-CG 4.49Å; L202-V238 HydrophobicContact CD2-CG1 4.3Å; L202-W242 HydrophobicContact CD1-CG 4.26Å
203T91.6Very high88Confident39 Ų3993.6 Ų93.624%0.23944%0.444CS..PPolyproline II helixtrans-76.8168.8170.570.30000111.2Q205 Q206 R207T203-Q205 VanDerWaalsContact C-N 3.34Å; T203-Q205 PolarHBondContact O-N 3.09Å; T203-Q206 PolarHBondContact O-N 2.77Å; T203-Q206 VanDerWaalsContact OG1-CG 3.27Å; T203-Q206 WeakPolarHBondContact OG1-CG 3.48Å; T203-Q206 PolarHBondContact OG1-N 3.13Å; T203-R207 WeakPolarHBondContact O-CB 3.41Å; T203-R207 WeakPolarHBondContact O-CG 3.42Å; T203-R207 PolarHBondContact O-N 3.2Å
204T91Very high89.8Confident4 Ų486.1 Ų86.13%0.02541%0.411CS..Hα-helixtrans-61.8-41.9175-65.30000112.4C123 V124 L143 E151 Q206 R207 R208C123-T204 VanDerWaalsContact SG-CG2 3.59Å; V124-T204 HydrophobicContact CG2-CG2 3.45Å; V124-T204 VanDerWaalsContact CG2-CG2 3.45Å; L143-T204 HydrophobicContact CD2-CG2 4.38Å; E151-T204 WeakPolarHBondContact OE1-CB 3.11Å; E151-T204 PolarHBondContact OE1-N 3.48Å; E151-T204 PolarHBondContact OE1-OG1 2.85Å; T204-Q206 PolarHBondContact O-N 3.07Å; T204-R207 PolarHBondContact O-N 3.4Å; T204-R207 PolarHBondContact OG1-NH2 3.47Å; T204-R208 WeakPolarHBondContact O-CG 3.46Å; T204-R208 PolarHBondContact O-N 3.28Å
205Q91.9Very high91.1Very high110 Ų11083.3 Ų83.351%0.51441%0.406SS..Hα-helixtrans-59.6-46.6175.1-173.9-175.844.500111.4T203 R208 A209T203-Q205 VanDerWaalsContact C-N 3.34Å; T203-Q205 PolarHBondContact O-N 3.09Å; Q205-R208 PolarHBondContact O-N 2.76Å; Q205-A209 PolarHBondContact O-N 2.9Å
206Q94.9Very high92.1Very high28 Ų2884.4 Ų84.413%0.13141%0.411CS..Hα-helixtrans-62-47.6176.8-69.7170.8-19.800111.2L202 T203 T204 R208 A209 F210 T232 L234L202-Q206 VanDerWaalsContact CA-OE1 3.26Å; L202-Q206 HydrophobicContact CB-CB 4.31Å; T203-Q206 PolarHBondContact O-N 2.77Å; T203-Q206 VanDerWaalsContact OG1-CG 3.27Å; T203-Q206 WeakPolarHBondContact OG1-CG 3.48Å; T203-Q206 PolarHBondContact OG1-N 3.13Å; T204-Q206 PolarHBondContact O-N 3.07Å; Q206-R208 VanDerWaalsContact C-N 3.27Å; Q206-R208 PolarHBondContact O-N 2.76Å; Q206-A209 PolarHBondContact O-N 3.33Å; Q206-F210 HydrophobicContact CB-CE2 4.45Å; Q206-F210 WeakPolarHBondContact O-CD2 3.27Å; Q206-F210 PolarHBondContact O-N 3.31Å; Q206-T232 HydrophobicContact CB-CG2 4.4Å; Q206-T232 HydrophobicContact CG-CG2 4.15Å; Q206-T232 PolarHBondContact NE2-O 3.41Å; Q206-L234 HydrophobicContact CG-CD1 4.46Å
207R95.2Very high93Very high81 Ų8176.8 Ų76.831%0.30638%0.383SS..Hα-helixtrans-55.2-41.5176.9-78.5-173.7-75-91.9-4.6112.2E151 L202 T203 T204 F210 K211E151-R207 IonicContact OE1-NH2 4Å; L202-R207 HydrophobicContact CB-CG 3.99Å; L202-R207 PolarHBondContact O-NH1 3.23Å; T203-R207 WeakPolarHBondContact O-CB 3.41Å; T203-R207 WeakPolarHBondContact O-CG 3.42Å; T203-R207 PolarHBondContact O-N 3.2Å; T204-R207 PolarHBondContact O-N 3.4Å; T204-R207 PolarHBondContact OG1-NH2 3.47Å; R207-F210 PolarHBondContact O-N 3.18Å; R207-K211 WeakPolarHBondContact O-CB 3.5Å; R207-K211 PolarHBondContact O-N 3.2Å
208R93.2Very high93.8Very high107 Ų10769.6 Ų69.640%0.40436%0.364SS..Hα-helixtrans-65.1-46.8177.1-77.6178.4153-114.9-21.2112.2C123 T204 Q205 Q206 F210 K211 A212C123-R208 VanDerWaalsContact C-NH2 3.26Å; C123-R208 PolarHBondContact O-NE 3.17Å; C123-R208 PolarHBondContact O-NH2 2.64Å; T204-R208 WeakPolarHBondContact O-CG 3.46Å; T204-R208 PolarHBondContact O-N 3.28Å; Q205-R208 PolarHBondContact O-N 2.76Å; Q206-R208 VanDerWaalsContact C-N 3.27Å; Q206-R208 PolarHBondContact O-N 2.76Å; R208-F210 VanDerWaalsContact C-N 3.27Å; R208-F210 PolarHBondContact O-N 2.84Å; R208-K211 PolarHBondContact O-N 3.06Å; R208-K211 VanDerWaalsContact O-N 3.16Å; R208-A212 WeakPolarHBondContact O-CB 3.49Å; R208-A212 PolarHBondContact O-N 3.3Å
209A96.3Very high94.5Very high32 Ų3270.6 Ų70.626%0.26436%0.356SS..Hα-helixtrans-57.4-42.3175.800000111.8Q205 Q206 S213 L228 T232Q205-A209 PolarHBondContact O-N 2.9Å; Q206-A209 PolarHBondContact O-N 3.33Å; A209-S213 WeakPolarHBondContact O-CB 3.46Å; A209-S213 PolarHBondContact O-N 3.39Å; A209-S213 VanDerWaalsContact O-N 3.09Å; A209-S213 PolarHBondContact O-OG 3.34Å; A209-L228 HydrophobicContact CB-CD2 4.39Å; A209-T232 HydrophobicContact CB-CG2 4.27Å
210F97.8Very high95Very high0 Ų060.5 Ų60.50%032%0.318CS..Hα-helixtrans-64.8-44.4174.6-79.3-64.8000113.3L202 Q206 R207 R208 S213 F214 T232 L234 V239 W242 F243L202-F210 HydrophobicContact CD1-CD2 3.91Å; L202-F210 HydrophobicContact CD1-CE2 3.88Å; L202-F210 HydrophobicContact CD2-CE2 4.11Å; Q206-F210 HydrophobicContact CB-CE2 4.45Å; Q206-F210 WeakPolarHBondContact O-CD2 3.27Å; Q206-F210 PolarHBondContact O-N 3.31Å; R207-F210 PolarHBondContact O-N 3.18Å; R208-F210 VanDerWaalsContact C-N 3.27Å; R208-F210 PolarHBondContact O-N 2.84Å; F210-S213 PolarHBondContact O-N 2.92Å; F210-F214 WeakPolarHBondContact O-CB 3.41Å; F210-F214 PolarHBondContact O-N 3.4Å; F210-T232 HydrophobicContact CE2-CG2 4.38Å; F210-L234 HydrophobicContact CE2-CD1 3.61Å; F210-L234 HydrophobicContact CZ-CD1 3.79Å; F210-V239 HydrophobicContact CE1-CB 4.04Å; F210-V239 HydrophobicContact CE1-CG1 3.98Å; F210-V239 HydrophobicContact CE1-CG2 3.82Å; F210-V239 HydrophobicContact CZ-CB 4.39Å; F210-V239 HydrophobicContact CZ-CG2 3.8Å; F210-W242 HydrophobicContact CB-CD2 3.77Å; F210-W242 HydrophobicContact CB-CE3 3.8Å; F210-W242 HydrophobicContact CB-CH2 3.54Å; F210-W242 HydrophobicContact CB-CZ2 3.47Å; F210-W242 VanDerWaalsContact CB-CZ2 3.47Å; F210-W242 HydrophobicContact CB-CZ3 3.7Å; F210-W242 HydrophobicContact CD1-CB 4.41Å; F210-W242 AromaticContact CD1-CD2 3.65Å; F210-W242 HydrophobicContact CD1-CD2 3.65Å; F210-W242 AromaticContact CD1-CE3 3.52Å; F210-W242 HydrophobicContact CD1-CE3 3.52Å; F210-W242 HydrophobicContact CD1-CG 4.03Å; F210-W242 HydrophobicContact CD1-CZ3 4.13Å; F210-W242 HydrophobicContact CD2-CD2 4.36Å; F210-W242 HydrophobicContact CD2-CG 4.41Å; F210-W242 HydrophobicContact CE1-CB 4.21Å; F210-W242 HydrophobicContact CE1-CD2 4.33Å; F210-W242 HydrophobicContact CE1-CE3 4.35Å; F210-W242 HydrophobicContact CE1-CG 4.25Å; F210-W242 AromaticContact CG-CD2 3.7Å; F210-W242 HydrophobicContact CG-CD2 3.7Å; F210-W242 AromaticContact CG-CE2 3.89Å; F210-W242 AromaticContact CG-CE3 3.89Å; F210-W242 HydrophobicContact CG-CE3 3.89Å; F210-W242 HydrophobicContact CG-CG 4.14Å; F210-W242 HydrophobicContact CG-CH2 4.48Å; F210-W242 HydrophobicContact CG-CZ2 4.29Å; F210-W242 HydrophobicContact CG-CZ3 4.28Å; F210-W242 WeakPolarHBondContact O-CH2 3.42Å; F210-F243 HydrophobicContact CD1-CD2 4.41Å; F210-F243 AromaticContact CD1-CE2 3.79Å; F210-F243 HydrophobicContact CD1-CE2 3.79Å; F210-F243 HydrophobicContact CD1-CZ 4.44Å; F210-F243 HydrophobicContact CE1-CE2 4.18Å
211K96Very high95.4Very high99 Ų9960.5 Ų60.543%0.4332%0.32SS..Hα-helixtrans-61.9-50.5177.8-177.3175.5-177.9-76.80111.4R207 R208 S213 F214 E215R207-K211 WeakPolarHBondContact O-CB 3.5Å; R207-K211 PolarHBondContact O-N 3.2Å; R208-K211 PolarHBondContact O-N 3.06Å; R208-K211 VanDerWaalsContact O-N 3.16Å; K211-S213 VanDerWaalsContact C-N 3.3Å; K211-S213 PolarHBondContact O-N 3.16Å; K211-F214 WeakPolarHBondContact O-CB 3.06Å; K211-F214 PolarHBondContact O-N 3.27Å; K211-E215 IonicContact NZ-OE1 2.72Å; K211-E215 PolarHBondContact NZ-OE1 3.29Å; K211-E215 PolarHBondContact O-N 3Å
212A96.1Very high95.7Very high53 Ų5367.6 Ų67.644%0.43834%0.344SS..Hα-helixtrans-57.4-44178.500000111.6R208 F214 E215 V216R208-A212 WeakPolarHBondContact O-CB 3.49Å; R208-A212 PolarHBondContact O-N 3.3Å; A212-F214 VanDerWaalsContact C-N 3.33Å; A212-F214 PolarHBondContact O-N 3.12Å; A212-E215 PolarHBondContact O-N 3.23Å; A212-V216 PolarHBondContact O-N 3.06Å
213S97.7Very high96Very high28 Ų2874.1 Ų74.120%0.19637%0.372CS..Hα-helixtrans-67.8-32.3177-63.30000113.5A209 F210 K211 V216 S217 L228A209-S213 WeakPolarHBondContact O-CB 3.46Å; A209-S213 PolarHBondContact O-N 3.39Å; A209-S213 VanDerWaalsContact O-N 3.09Å; A209-S213 PolarHBondContact O-OG 3.34Å; F210-S213 PolarHBondContact O-N 2.92Å; K211-S213 VanDerWaalsContact C-N 3.3Å; K211-S213 PolarHBondContact O-N 3.16Å; S213-V216 PolarHBondContact O-N 3.45Å; S213-S217 PolarHBondContact O-N 2.9Å; S213-L228 WeakPolarHBondContact OG-CD2 3.4Å
214F98Very high96.3Very high34 Ų3475.2 Ų75.215%0.14938%0.378CS..Hα-helixtrans-69.8-34.9176.6-173.6-93.1000112.9F210 K211 A212 S217 S218 W242 F243 Q246 R247 M250F210-F214 WeakPolarHBondContact O-CB 3.41Å; F210-F214 PolarHBondContact O-N 3.4Å; K211-F214 WeakPolarHBondContact O-CB 3.06Å; K211-F214 PolarHBondContact O-N 3.27Å; A212-F214 VanDerWaalsContact C-N 3.33Å; A212-F214 PolarHBondContact O-N 3.12Å; F214-S217 CarbonylContact O-C 3.48Å; F214-S217 PolarHBondContact O-N 2.7Å; F214-S218 PolarHBondContact O-N 3.02Å; F214-W242 HydrophobicContact CB-CH2 4.1Å; F214-W242 HydrophobicContact CB-CZ3 4.05Å; F214-W242 HydrophobicContact CD2-CZ3 4.19Å; F214-W242 HydrophobicContact CG-CH2 4.49Å; F214-W242 HydrophobicContact CG-CZ3 4.42Å; F214-F243 HydrophobicContact CB-CE1 3.94Å; F214-F243 AromaticContact CD2-CD1 3.71Å; F214-F243 HydrophobicContact CD2-CD1 3.71Å; F214-F243 AromaticContact CD2-CE1 3.83Å; F214-F243 HydrophobicContact CD2-CE1 3.83Å; F214-F243 HydrophobicContact CE2-CD1 4.46Å; F214-F243 HydrophobicContact CG-CE1 4.39Å; F214-Q246 HydrophobicContact CD1-CG 4.15Å; F214-Q246 HydrophobicContact CD2-CB 4.22Å; F214-Q246 HydrophobicContact CD2-CG 3.63Å; F214-Q246 HydrophobicContact CE1-CG 4.05Å; F214-Q246 HydrophobicContact CE2-CB 4.01Å; F214-Q246 HydrophobicContact CE2-CG 3.53Å; F214-Q246 HydrophobicContact CG-CG 3.96Å; F214-Q246 HydrophobicContact CZ-CG 3.76Å; F214-R247 HydrophobicContact CE2-CG 3.87Å; F214-R247 HydrophobicContact CZ-CG 4.28Å; F214-M250 HydrophobicContact CE1-CG 4.11Å; F214-M250 HydrophobicContact CZ-CG 4.03Å
215E97.3Very high96.7Very high129 Ų12977.9 Ų77.960%0.60339%0.388SS*.Hα-helixtrans-63.7-41.1173.9-72169.6-171.900111.3K211 A212K211-E215 IonicContact NZ-OE1 2.72Å; K211-E215 PolarHBondContact NZ-OE1 3.29Å; K211-E215 PolarHBondContact O-N 3Å; A212-E215 PolarHBondContact O-N 3.23Å
216V97.8Very high97Very high133 Ų13376.4 Ų76.481%0.80638%0.381SS*.Hα-helixtrans-68.7-45173.3179.20000111.3A212 S213A212-V216 PolarHBondContact O-N 3.06Å; S213-V216 PolarHBondContact O-N 3.45Å
217S97.2Very high97.2Very high44 Ų4478.1 Ų78.131%0.30839%0.393SS..  trans-150.6116.4178.9-173.30000112.4S213 F214 K219 P220S213-S217 PolarHBondContact O-N 2.9Å; F214-S217 CarbonylContact O-C 3.48Å; F214-S217 PolarHBondContact O-N 2.7Å; S217-K219 PolarHBondContact O-N 3.43Å; S217-K219 VanDerWaalsContact OG-C 3.23Å; S217-K219 PolarHBondContact OG-N 3.5Å; S217-K219 PolarHBondContact OG-O 2.99Å; S217-P220 WeakPolarHBondContact O-CD 3.43Å
218S96.9Very high97.3Very high55 Ų5574.5 Ų74.539%0.38538%0.38SS..SBendtrans-67.2-15.5172.367.60000113.6F214 R247F214-S218 PolarHBondContact O-N 3.02Å; S218-R247 WeakPolarHBondContact O-CD 3.38Å; S218-R247 PolarHBondContact O-NH1 2.79Å
219K97.4Very high97.5Very high148 Ų14869.8 Ų69.864%0.64336%0.364SS*.SBendtrans-133.568.8178.7-66.3-176.9-177.4178.30109.7S217 C221S217-K219 PolarHBondContact O-N 3.43Å; S217-K219 VanDerWaalsContact OG-C 3.23Å; S217-K219 PolarHBondContact OG-N 3.5Å; S217-K219 PolarHBondContact OG-O 2.99Å; K219-C221 PolarHBondContact O-N 3.44Å
220P96.6Very high97.6Very high2 Ų272.2 Ų72.21%0.01338%0.384CS..  trans-59.3142.2-176.526.3-35.8000110.7S217 V224 R225 F243S217-P220 WeakPolarHBondContact O-CD 3.43Å; P220-V224 HydrophobicContact CB-CB 4.01Å; P220-V224 HydrophobicContact CB-CG1 3.72Å; P220-R225 HydrophobicContact CB-CG 4.14Å; P220-R225 HydrophobicContact CG-CG 3.81Å; P220-R225 PolarHBondContact O-NE 3.48Å; P220-R225 PolarHBondContact O-NH2 2.93Å; P220-F243 HydrophobicContact CB-CZ 4.48Å; P220-F243 HydrophobicContact CG-CD1 3.62Å; P220-F243 HydrophobicContact CG-CD2 3.83Å; P220-F243 HydrophobicContact CG-CE1 3.53Å; P220-F243 HydrophobicContact CG-CE2 3.76Å; P220-F243 HydrophobicContact CG-CG 3.79Å; P220-F243 HydrophobicContact CG-CZ 3.63Å
221C97.6Very high97.5Very high78 Ų7878.9 Ų78.953%0.52742%0.415SS..  trans-68.1171.1176.3730000111.3K219 K223 V224 R225K219-C221 PolarHBondContact O-N 3.44Å; C221-K223 PolarHBondContact O-N 3.34Å; C221-V224 PolarHBondContact O-N 3.41Å; C221-R225 WeakPolarHBondContact O-CG 3.05Å; C221-R225 PolarHBondContact O-N 3.03Å
222R97.8Very high97.5Very high193 Ų19374.9 Ų74.973%0.72840%0.399SS*.Hα-helixtrans-54.6-48.8-177.5-179.3175175173.1-1.2112.4V224 R225 E226R222-V224 PolarHBondContact O-N 3.13Å; R222-R225 PolarHBondContact O-N 2.62Å; R222-R225 VanDerWaalsContact O-N 3.14Å; R222-E226 HydrophobicContact CG-CG 4.46Å; R222-E226 WeakPolarHBondContact CG-OE1 3.34Å; R222-E226 IonicContact CZ-OE1 3.56Å; R222-E226 IonicContact NE-OE1 2.79Å; R222-E226 PolarHBondContact NE-OE1 3.43Å; R222-E226 IonicContact NH2-OE1 3.43Å; R222-E226 PolarHBondContact NH2-OE1 2.95Å; R222-E226 PolarHBondContact O-N 3.16Å
223K98.2Very high97.5Very high160 Ų16075.8 Ų75.870%0.69641%0.413SS*.Hα-helixtrans-56.9-47.9-179.4-172.9176.5-178.8-179.60112.3C221 R225 E226 T227C221-K223 PolarHBondContact O-N 3.34Å; K223-R225 VanDerWaalsContact C-N 3.3Å; K223-R225 PolarHBondContact O-N 2.92Å; K223-E226 PolarHBondContact O-N 3.34Å; K223-T227 PolarHBondContact O-N 3.06Å; K223-T227 PolarHBondContact O-OG1 3.48Å
224V98.2Very high97.5Very high61 Ų6175.6 Ų75.637%0.3741%0.41SS..Hα-helixtrans-61.9-38.2179174.30000111.6P220 C221 R222 L228P220-V224 HydrophobicContact CB-CB 4.01Å; P220-V224 HydrophobicContact CB-CG1 3.72Å; C221-V224 PolarHBondContact O-N 3.41Å; R222-V224 PolarHBondContact O-N 3.13Å; V224-L228 HydrophobicContact CG1-CD1 4.3Å; V224-L228 WeakPolarHBondContact O-CG 3.31Å; V224-L228 PolarHBondContact O-N 3.46Å
225R98.5Very high97.4Very high61 Ų6177.2 Ų77.223%0.2343%0.426CS..Hα-helixtrans-68.2-37.7176.4-64.4-179.5-157.4161.45.8112.5P220 C221 R222 K223 A229 V239P220-R225 HydrophobicContact CB-CG 4.14Å; P220-R225 HydrophobicContact CG-CG 3.81Å; P220-R225 PolarHBondContact O-NE 3.48Å; P220-R225 PolarHBondContact O-NH2 2.93Å; C221-R225 WeakPolarHBondContact O-CG 3.05Å; C221-R225 PolarHBondContact O-N 3.03Å; R222-R225 PolarHBondContact O-N 2.62Å; R222-R225 VanDerWaalsContact O-N 3.14Å; K223-R225 VanDerWaalsContact C-N 3.3Å; K223-R225 PolarHBondContact O-N 2.92Å; R225-A229 WeakPolarHBondContact O-CB 3.34Å; R225-A229 PolarHBondContact O-N 3.09Å; R225-V239 HydrophobicContact CB-CG1 3.81Å; R225-V239 HydrophobicContact CG-CG1 3.96Å
226E98.4Very high97.4Very high78 Ų7873.8 Ų73.836%0.36441%0.413SS..Hα-helixtrans-67.2-41.6176.6-72.7168.3171.300111R222 K223 A229 A230 V236R222-E226 HydrophobicContact CG-CG 4.46Å; R222-E226 WeakPolarHBondContact CG-OE1 3.34Å; R222-E226 IonicContact CZ-OE1 3.56Å; R222-E226 IonicContact NE-OE1 2.79Å; R222-E226 PolarHBondContact NE-OE1 3.43Å; R222-E226 IonicContact NH2-OE1 3.43Å; R222-E226 PolarHBondContact NH2-OE1 2.95Å; R222-E226 PolarHBondContact O-N 3.16Å; K223-E226 PolarHBondContact O-N 3.34Å; E226-A229 PolarHBondContact O-N 3.35Å; E226-A230 PolarHBondContact O-N 3.37Å; E226-V236 HydrophobicContact CG-CG2 4.33Å
227T98.2Very high97.4Very high65 Ų6574.2 Ų74.240%0.39940%0.4SS..Hα-helixtrans-59.9-49.8172.1-58.10000111.6K223 A229 A230 E231K223-T227 PolarHBondContact O-N 3.06Å; K223-T227 PolarHBondContact O-OG1 3.48Å; T227-A229 VanDerWaalsContact C-N 3.3Å; T227-A229 PolarHBondContact O-N 2.97Å; T227-A230 PolarHBondContact O-N 2.89Å; T227-A230 VanDerWaalsContact O-N 3.16Å; T227-E231 HydrophobicContact CG2-CG 4.38Å; T227-E231 WeakPolarHBondContact CG2-OE1 3.46Å; T227-E231 WeakPolarHBondContact O-CG 3.43Å; T227-E231 PolarHBondContact O-N 3.31Å
228L97.9Very high97.4Very high4 Ų473.6 Ų73.62%0.02140%0.395CS..Hα-helixtrans-61-38.3177.3-79.5171.4000113.1A209 S213 V224 A230 E231 T232 V239 F243A209-L228 HydrophobicContact CB-CD2 4.39Å; S213-L228 WeakPolarHBondContact OG-CD2 3.4Å; V224-L228 HydrophobicContact CG1-CD1 4.3Å; V224-L228 WeakPolarHBondContact O-CG 3.31Å; V224-L228 PolarHBondContact O-N 3.46Å; L228-A230 VanDerWaalsContact C-N 3.35Å; L228-E231 PolarHBondContact O-N 3.24Å; L228-T232 VanDerWaalsContact O-CB 3.31Å; L228-T232 WeakPolarHBondContact O-CB 3.47Å; L228-T232 WeakPolarHBondContact O-CG2 3.38Å; L228-T232 PolarHBondContact O-N 3.41Å; L228-T232 PolarHBondContact O-OG1 3.45Å; L228-V239 HydrophobicContact CB-CG1 4.41Å; L228-F243 HydrophobicContact CD1-CE2 3.86Å; L228-F243 HydrophobicContact CD1-CZ 4.03Å
229A98.2Very high97.5Very high9 Ų971 Ų717%0.07438%0.376CS..Hα-helixtrans-61-45.517600000111.2R225 E226 T227 G233 L234 V236 V239R225-A229 WeakPolarHBondContact O-CB 3.34Å; R225-A229 PolarHBondContact O-N 3.09Å; E226-A229 PolarHBondContact O-N 3.35Å; T227-A229 VanDerWaalsContact C-N 3.3Å; T227-A229 PolarHBondContact O-N 2.97Å; A229-G233 PolarHBondContact O-N 3.17Å; A229-L234 CarbonylContact C-O 3.59Å; A229-L234 WeakPolarHBondContact CA-O 3.34Å; A229-L234 VanDerWaalsContact CB-O 3.28Å; A229-L234 WeakPolarHBondContact CB-O 3.36Å; A229-L234 PolarHBondContact O-N 3.03Å; A229-L234 VanDerWaalsContact O-N 3.13Å; A229-V236 HydrophobicContact CB-CG2 3.75Å; A229-V239 HydrophobicContact CB-CG2 3.99Å
230A97.9Very high97.5Very high83 Ų8367 Ų6769%0.68636%0.36SS*.Hα-helixtrans-64.2-45.4177.100000112.3E226 T227 L228E226-A230 PolarHBondContact O-N 3.37Å; T227-A230 PolarHBondContact O-N 2.89Å; T227-A230 VanDerWaalsContact O-N 3.16Å; L228-A230 VanDerWaalsContact C-N 3.35Å
231E96.6Very high97.6Very high140 Ų14068.9 Ų68.965%0.65437%0.371SS*.Hα-helixtrans-68.3-36.6-179.3-70.9173.5175.700113.1T227 L228T227-E231 HydrophobicContact CG2-CG 4.38Å; T227-E231 WeakPolarHBondContact CG2-OE1 3.46Å; T227-E231 WeakPolarHBondContact O-CG 3.43Å; T227-E231 PolarHBondContact O-N 3.31Å; L228-E231 PolarHBondContact O-N 3.24Å
232T96.1Very high97.6Very high15 Ų1567.1 Ų67.19%0.09235%0.354CS..Hα-helixtrans-88.3-10.8-178.758.50000113.8Q206 A209 F210 L228 L234Q206-T232 HydrophobicContact CB-CG2 4.4Å; Q206-T232 HydrophobicContact CG-CG2 4.15Å; Q206-T232 PolarHBondContact NE2-O 3.41Å; A209-T232 HydrophobicContact CB-CG2 4.27Å; F210-T232 HydrophobicContact CE2-CG2 4.38Å; L228-T232 VanDerWaalsContact O-CB 3.31Å; L228-T232 WeakPolarHBondContact O-CB 3.47Å; L228-T232 WeakPolarHBondContact O-CG2 3.38Å; L228-T232 PolarHBondContact O-N 3.41Å; L228-T232 PolarHBondContact O-OG1 3.45Å; T232-L234 PolarHBondContact O-N 3.35Å
233G96Very high97.6Very high71 Ų7158 Ų5873%0.73232%0.319SS*.THydrogen-bonded Turntrans67.421.1-172.600000113.7A229A229-G233 PolarHBondContact O-N 3.17Å
234L96.1Very high97.6Very high24 Ų2454.8 Ų54.813%0.12631%0.307CS..  trans-104.6155.4-178-62.6170.4000110.8T200 L202 Q206 F210 A229 T232 V238T200-L234 HydrophobicContact CG2-CD2 3.93Å; L202-L234 HydrophobicContact CD2-CD1 3.39Å; L202-L234 HydrophobicContact CD2-CD2 4.29Å; L202-L234 HydrophobicContact CD2-CG 4.49Å; Q206-L234 HydrophobicContact CG-CD1 4.46Å; F210-L234 HydrophobicContact CE2-CD1 3.61Å; F210-L234 HydrophobicContact CZ-CD1 3.79Å; A229-L234 CarbonylContact C-O 3.59Å; A229-L234 WeakPolarHBondContact CA-O 3.34Å; A229-L234 VanDerWaalsContact CB-O 3.28Å; A229-L234 WeakPolarHBondContact CB-O 3.36Å; A229-L234 PolarHBondContact O-N 3.03Å; A229-L234 VanDerWaalsContact O-N 3.13Å; T232-L234 PolarHBondContact O-N 3.35Å; L234-V238 HydrophobicContact CB-CB 4.4Å; L234-V238 HydrophobicContact CB-CG1 4.33Å; L234-V238 HydrophobicContact CD1-CG1 4.15Å; L234-V238 HydrophobicContact CD2-CG1 4.47Å
235S97Very high97.6Very high69 Ų6956.7 Ų56.748%0.48332%0.315SS..  trans-66147172.771.10000111.5R237 V238 V239S235-R237 PolarHBondContact O-N 3.38Å; S235-R237 VanDerWaalsContact O-N 3.07Å; S235-V238 WeakPolarHBondContact O-CB 3.49Å; S235-V238 PolarHBondContact O-N 3.02Å; S235-V238 WeakPolarHBondContact OG-CG2 3.4Å; S235-V238 PolarHBondContact OG-N 3.3Å; S235-V239 PolarHBondContact O-N 3.33Å; S235-V239 VanDerWaalsContact O-N 3.16Å
236V97.9Very high97.5Very high56 Ų5655.7 Ų55.734%0.33931%0.313SS..Hα-helixtrans-53.8-31.9173.4-179.60000111.2E226 A229 V239 Q240E226-V236 HydrophobicContact CG-CG2 4.33Å; A229-V236 HydrophobicContact CB-CG2 3.75Å; V236-V239 PolarHBondContact O-N 2.93Å; V236-Q240 HydrophobicContact CG1-CG 4.38Å; V236-Q240 WeakPolarHBondContact O-CB 3.49Å; V236-Q240 WeakPolarHBondContact O-CG 3.36Å; V236-Q240 PolarHBondContact O-N 3.06Å
237R97.3Very high97.5Very high142 Ų14255.4 Ų55.454%0.53631%0.308SS..Hα-helixtrans-63.7-44.8175.3-179.160.9-178.5124.54.7112S235 Q240 V241S235-R237 PolarHBondContact O-N 3.38Å; S235-R237 VanDerWaalsContact O-N 3.07Å; R237-Q240 PolarHBondContact O-N 3.17Å; R237-V241 VanDerWaalsContact O-CG2 3.31Å; R237-V241 WeakPolarHBondContact O-CG2 3.48Å; R237-V241 PolarHBondContact O-N 3.32Å
238V97.5Very high97.5Very high31 Ų3155 Ų5519%0.18831%0.312CS..Hα-helixtrans-61.9-45.5177170.40000110.3T200 L202 L234 S235 Q240 V241 W242T200-V238 HydrophobicContact CG2-CG1 4.36Å; T200-V238 HydrophobicContact CG2-CG2 4.48Å; L202-V238 HydrophobicContact CD2-CG1 4.3Å; L234-V238 HydrophobicContact CB-CB 4.4Å; L234-V238 HydrophobicContact CB-CG1 4.33Å; L234-V238 HydrophobicContact CD1-CG1 4.15Å; L234-V238 HydrophobicContact CD2-CG1 4.47Å; S235-V238 WeakPolarHBondContact O-CB 3.49Å; S235-V238 PolarHBondContact O-N 3.02Å; S235-V238 WeakPolarHBondContact OG-CG2 3.4Å; S235-V238 PolarHBondContact OG-N 3.3Å; V238-Q240 PolarHBondContact O-N 3.18Å; V238-V241 PolarHBondContact O-N 3.45Å; V238-W242 WeakPolarHBondContact O-CB 3.32Å; V238-W242 PolarHBondContact O-N 2.73Å
239V98.1Very high97.5Very high0 Ų060.2 Ų60.20%033%0.334CS..Hα-helixtrans-55.2-50.7174.5170.90000110.6F210 R225 L228 A229 S235 V236 V241 W242 F243F210-V239 HydrophobicContact CE1-CB 4.04Å; F210-V239 HydrophobicContact CE1-CG1 3.98Å; F210-V239 HydrophobicContact CE1-CG2 3.82Å; F210-V239 HydrophobicContact CZ-CB 4.39Å; F210-V239 HydrophobicContact CZ-CG2 3.8Å; R225-V239 HydrophobicContact CB-CG1 3.81Å; R225-V239 HydrophobicContact CG-CG1 3.96Å; L228-V239 HydrophobicContact CB-CG1 4.41Å; A229-V239 HydrophobicContact CB-CG2 3.99Å; S235-V239 PolarHBondContact O-N 3.33Å; S235-V239 VanDerWaalsContact O-N 3.16Å; V236-V239 PolarHBondContact O-N 2.93Å; V239-V241 PolarHBondContact O-N 3.4Å; V239-W242 WeakPolarHBondContact O-CB 3.41Å; V239-W242 PolarHBondContact O-N 3.43Å; V239-F243 HydrophobicContact CG1-CD2 4.08Å; V239-F243 HydrophobicContact CG1-CE2 4.1Å; V239-F243 WeakPolarHBondContact O-CD2 3.47Å; V239-F243 PolarHBondContact O-N 2.91Å; V239-F243 VanDerWaalsContact O-N 3.13Å
240Q97.9Very high97.4Very high64 Ų6463.1 Ų63.130%0.29935%0.347SS..Hα-helixtrans-59.2-46.4178.7-72.7171.6-1.600113V236 R237 V238 W242 F243 Q244V236-Q240 HydrophobicContact CG1-CG 4.38Å; V236-Q240 WeakPolarHBondContact O-CB 3.49Å; V236-Q240 WeakPolarHBondContact O-CG 3.36Å; V236-Q240 PolarHBondContact O-N 3.06Å; R237-Q240 PolarHBondContact O-N 3.17Å; V238-Q240 PolarHBondContact O-N 3.18Å; Q240-W242 VanDerWaalsContact C-N 3.31Å; Q240-W242 PolarHBondContact O-N 3.37Å; Q240-F243 PolarHBondContact O-N 3.41Å; Q240-Q244 VanDerWaalsContact O-CG 3.31Å; Q240-Q244 WeakPolarHBondContact O-CG 3.34Å; Q240-Q244 PolarHBondContact O-N 3.36Å; Q240-Q244 VanDerWaalsContact O-N 3.07Å
241V97.7Very high97.4Very high42 Ų4265.6 Ų65.626%0.25534%0.343SS..Hα-helixtrans-60.6-43.2176.9173.20000110.5R237 V238 V239 F243 Q244 N245R237-V241 VanDerWaalsContact O-CG2 3.31Å; R237-V241 WeakPolarHBondContact O-CG2 3.48Å; R237-V241 PolarHBondContact O-N 3.32Å; V238-V241 PolarHBondContact O-N 3.45Å; V239-V241 PolarHBondContact O-N 3.4Å; V241-F243 PolarHBondContact O-N 3.08Å; V241-Q244 WeakPolarHBondContact O-CB 3.35Å; V241-Q244 PolarHBondContact O-N 3.43Å; V241-N245 WeakPolarHBondContact CG1-ND2 3.49Å; V241-N245 WeakPolarHBondContact O-CB 3.43Å; V241-N245 PolarHBondContact O-N 3.49Å
242W97.8Very high97.5Very high42 Ų4266.6 Ų66.616%0.15935%0.345CS..Hα-helixtrans-58-49.9-179.8-173.990.8000111.3L202 F210 F214 V238 V239 Q240 Q244 N245 Q246L202-W242 HydrophobicContact CD1-CG 4.26Å; F210-W242 HydrophobicContact CB-CD2 3.77Å; F210-W242 HydrophobicContact CB-CE3 3.8Å; F210-W242 HydrophobicContact CB-CH2 3.54Å; F210-W242 HydrophobicContact CB-CZ2 3.47Å; F210-W242 VanDerWaalsContact CB-CZ2 3.47Å; F210-W242 HydrophobicContact CB-CZ3 3.7Å; F210-W242 HydrophobicContact CD1-CB 4.41Å; F210-W242 AromaticContact CD1-CD2 3.65Å; F210-W242 HydrophobicContact CD1-CD2 3.65Å; F210-W242 AromaticContact CD1-CE3 3.52Å; F210-W242 HydrophobicContact CD1-CE3 3.52Å; F210-W242 HydrophobicContact CD1-CG 4.03Å; F210-W242 HydrophobicContact CD1-CZ3 4.13Å; F210-W242 HydrophobicContact CD2-CD2 4.36Å; F210-W242 HydrophobicContact CD2-CG 4.41Å; F210-W242 HydrophobicContact CE1-CB 4.21Å; F210-W242 HydrophobicContact CE1-CD2 4.33Å; F210-W242 HydrophobicContact CE1-CE3 4.35Å; F210-W242 HydrophobicContact CE1-CG 4.25Å; F210-W242 AromaticContact CG-CD2 3.7Å; F210-W242 HydrophobicContact CG-CD2 3.7Å; F210-W242 AromaticContact CG-CE2 3.89Å; F210-W242 AromaticContact CG-CE3 3.89Å; F210-W242 HydrophobicContact CG-CE3 3.89Å; F210-W242 HydrophobicContact CG-CG 4.14Å; F210-W242 HydrophobicContact CG-CH2 4.48Å; F210-W242 HydrophobicContact CG-CZ2 4.29Å; F210-W242 HydrophobicContact CG-CZ3 4.28Å; F210-W242 WeakPolarHBondContact O-CH2 3.42Å; F214-W242 HydrophobicContact CB-CH2 4.1Å; F214-W242 HydrophobicContact CB-CZ3 4.05Å; F214-W242 HydrophobicContact CD2-CZ3 4.19Å; F214-W242 HydrophobicContact CG-CH2 4.49Å; F214-W242 HydrophobicContact CG-CZ3 4.42Å; V238-W242 WeakPolarHBondContact O-CB 3.32Å; V238-W242 PolarHBondContact O-N 2.73Å; V239-W242 WeakPolarHBondContact O-CB 3.41Å; V239-W242 PolarHBondContact O-N 3.43Å; Q240-W242 VanDerWaalsContact C-N 3.31Å; Q240-W242 PolarHBondContact O-N 3.37Å; W242-Q244 VanDerWaalsContact C-N 3.33Å; W242-Q244 PolarHBondContact O-N 3.04Å; W242-N245 PolarHBondContact O-N 3.41Å; W242-Q246 HydrophobicContact CE3-CB 4.27Å; W242-Q246 HydrophobicContact CH2-CB 4.08Å; W242-Q246 HydrophobicContact CH2-CG 3.73Å; W242-Q246 HydrophobicContact CZ2-CB 4.44Å; W242-Q246 HydrophobicContact CZ2-CG 4.26Å; W242-Q246 HydrophobicContact CZ3-CB 4Å; W242-Q246 HydrophobicContact CZ3-CG 4.02Å; W242-Q246 WeakPolarHBondContact O-CB 3.28Å; W242-Q246 PolarHBondContact O-N 3.03Å
243F98.5Very high97.5Very high1 Ų168.4 Ų68.40%0.00435%0.354CS..Hα-helixtrans-64.4-35.1177.9-83.8-85000113F210 F214 P220 L228 V239 Q240 V241 R247F210-F243 HydrophobicContact CD1-CD2 4.41Å; F210-F243 AromaticContact CD1-CE2 3.79Å; F210-F243 HydrophobicContact CD1-CE2 3.79Å; F210-F243 HydrophobicContact CD1-CZ 4.44Å; F210-F243 HydrophobicContact CE1-CE2 4.18Å; F214-F243 HydrophobicContact CB-CE1 3.94Å; F214-F243 AromaticContact CD2-CD1 3.71Å; F214-F243 HydrophobicContact CD2-CD1 3.71Å; F214-F243 AromaticContact CD2-CE1 3.83Å; F214-F243 HydrophobicContact CD2-CE1 3.83Å; F214-F243 HydrophobicContact CE2-CD1 4.46Å; F214-F243 HydrophobicContact CG-CE1 4.39Å; P220-F243 HydrophobicContact CB-CZ 4.48Å; P220-F243 HydrophobicContact CG-CD1 3.62Å; P220-F243 HydrophobicContact CG-CD2 3.83Å; P220-F243 HydrophobicContact CG-CE1 3.53Å; P220-F243 HydrophobicContact CG-CE2 3.76Å; P220-F243 HydrophobicContact CG-CG 3.79Å; P220-F243 HydrophobicContact CG-CZ 3.63Å; L228-F243 HydrophobicContact CD1-CE2 3.86Å; L228-F243 HydrophobicContact CD1-CZ 4.03Å; V239-F243 HydrophobicContact CG1-CD2 4.08Å; V239-F243 HydrophobicContact CG1-CE2 4.1Å; V239-F243 WeakPolarHBondContact O-CD2 3.47Å; V239-F243 PolarHBondContact O-N 2.91Å; V239-F243 VanDerWaalsContact O-N 3.13Å; Q240-F243 PolarHBondContact O-N 3.41Å; V241-F243 PolarHBondContact O-N 3.08Å; F243-R247 WeakPolarHBondContact O-CG 3.47Å; F243-R247 PolarHBondContact O-N 3.16Å; F243-R247 VanDerWaalsContact O-N 3.11Å; F243-R247 PolarHBondContact O-NH1 3.09Å
244Q98Very high97.6Very high93 Ų9367.1 Ų67.144%0.43534%0.336SS..Hα-helixtrans-63.2-50.1174.1-73.4171.41.400111.2Q240 V241 W242 Q246 R247 A248Q240-Q244 VanDerWaalsContact O-CG 3.31Å; Q240-Q244 WeakPolarHBondContact O-CG 3.34Å; Q240-Q244 PolarHBondContact O-N 3.36Å; Q240-Q244 VanDerWaalsContact O-N 3.07Å; V241-Q244 WeakPolarHBondContact O-CB 3.35Å; V241-Q244 PolarHBondContact O-N 3.43Å; W242-Q244 VanDerWaalsContact C-N 3.33Å; W242-Q244 PolarHBondContact O-N 3.04Å; Q244-Q246 VanDerWaalsContact C-N 3.33Å; Q244-Q246 PolarHBondContact O-N 3.49Å; Q244-R247 PolarHBondContact O-N 3.38Å; Q244-A248 PolarHBondContact O-N 3.08Å
245N97.7Very high97.6Very high100 Ų10073.4 Ų73.454%0.53536%0.358SS..Hα-helixtrans-64.2-38.2178.8-70.9-11.9000111.8V241 W242 A248 K249V241-N245 WeakPolarHBondContact CG1-ND2 3.49Å; V241-N245 WeakPolarHBondContact O-CB 3.43Å; V241-N245 PolarHBondContact O-N 3.49Å; W242-N245 PolarHBondContact O-N 3.41Å; N245-A248 WeakPolarHBondContact O-CB 3.33Å; N245-A248 PolarHBondContact O-N 3.44Å; N245-K249 WeakPolarHBondContact O-CB 3.32Å; N245-K249 PolarHBondContact O-N 3.18Å
246Q97.6Very high97.6Very high40 Ų4076 Ų7619%0.18736%0.358CS..Hα-helixtrans-64.7-43.6178.1-173.2643.700111.8F214 W242 Q244 A248 K249 M250F214-Q246 HydrophobicContact CD1-CG 4.15Å; F214-Q246 HydrophobicContact CD2-CB 4.22Å; F214-Q246 HydrophobicContact CD2-CG 3.63Å; F214-Q246 HydrophobicContact CE1-CG 4.05Å; F214-Q246 HydrophobicContact CE2-CB 4.01Å; F214-Q246 HydrophobicContact CE2-CG 3.53Å; F214-Q246 HydrophobicContact CG-CG 3.96Å; F214-Q246 HydrophobicContact CZ-CG 3.76Å; W242-Q246 HydrophobicContact CE3-CB 4.27Å; W242-Q246 HydrophobicContact CH2-CB 4.08Å; W242-Q246 HydrophobicContact CH2-CG 3.73Å; W242-Q246 HydrophobicContact CZ2-CB 4.44Å; W242-Q246 HydrophobicContact CZ2-CG 4.26Å; W242-Q246 HydrophobicContact CZ3-CB 4Å; W242-Q246 HydrophobicContact CZ3-CG 4.02Å; W242-Q246 WeakPolarHBondContact O-CB 3.28Å; W242-Q246 PolarHBondContact O-N 3.03Å; Q244-Q246 VanDerWaalsContact C-N 3.33Å; Q244-Q246 PolarHBondContact O-N 3.49Å; Q246-A248 VanDerWaalsContact C-N 3.35Å; Q246-A248 PolarHBondContact O-N 3.25Å; Q246-K249 WeakPolarHBondContact O-CB 3.49Å; Q246-K249 PolarHBondContact O-N 3.06Å; Q246-M250 WeakPolarHBondContact O-CG 3.44Å; Q246-M250 PolarHBondContact O-N 3.31Å
247R98.3Very high97.4Very high72 Ų7278.1 Ų78.127%0.27236%0.364SS..Hα-helixtrans-63.7-40.1172.7-71.5-167.6-59.3-81.7-4.9112.3F214 S218 F243 Q244 K249 M250 K251F214-R247 HydrophobicContact CE2-CG 3.87Å; F214-R247 HydrophobicContact CZ-CG 4.28Å; S218-R247 WeakPolarHBondContact O-CD 3.38Å; S218-R247 PolarHBondContact O-NH1 2.79Å; F243-R247 WeakPolarHBondContact O-CG 3.47Å; F243-R247 PolarHBondContact O-N 3.16Å; F243-R247 VanDerWaalsContact O-N 3.11Å; F243-R247 PolarHBondContact O-NH1 3.09Å; Q244-R247 PolarHBondContact O-N 3.38Å; R247-K249 VanDerWaalsContact C-N 3.32Å; R247-K249 PolarHBondContact O-N 3.16Å; R247-M250 PolarHBondContact O-N 3.35Å; R247-K251 PolarHBondContact O-N 2.96Å
248A98.3Very high97.3Very high58 Ų5877.4 Ų77.448%0.47937%0.366SS..Hα-helixtrans-61.7-41.2175.600000111.5Q244 N245 Q246 K251 K252Q244-A248 PolarHBondContact O-N 3.08Å; N245-A248 WeakPolarHBondContact O-CB 3.33Å; N245-A248 PolarHBondContact O-N 3.44Å; Q246-A248 VanDerWaalsContact C-N 3.35Å; Q246-A248 PolarHBondContact O-N 3.25Å; A248-K251 PolarHBondContact O-N 2.98Å; A248-K252 WeakPolarHBondContact O-CB 3.44Å; A248-K252 PolarHBondContact O-N 3.07Å
249K97.7Very high97.1Very high112 Ų11281.5 Ų81.549%0.48738%0.383SS..Hα-helixtrans-58.8-49.5173.4-176.7-176.9176.1179.90111.4N245 Q246 R247 K251 K252 L253N245-K249 WeakPolarHBondContact O-CB 3.32Å; N245-K249 PolarHBondContact O-N 3.18Å; Q246-K249 WeakPolarHBondContact O-CB 3.49Å; Q246-K249 PolarHBondContact O-N 3.06Å; R247-K249 VanDerWaalsContact C-N 3.32Å; R247-K249 PolarHBondContact O-N 3.16Å; K249-K251 VanDerWaalsContact C-N 3.34Å; K249-K251 PolarHBondContact O-N 3.01Å; K249-K252 PolarHBondContact O-N 2.92Å; K249-K252 VanDerWaalsContact O-N 3.16Å; K249-L253 PolarHBondContact O-N 3.06Å
250M96.6Very high96.9Very high71 Ų7186.2 Ų86.235%0.3541%0.405SS..Hα-helixtrans-61.2-41.7178.7-67.6-59.9103.400112.2F214 Q246 R247 K252 L253 A254F214-M250 HydrophobicContact CE1-CG 4.11Å; F214-M250 HydrophobicContact CZ-CG 4.03Å; Q246-M250 WeakPolarHBondContact O-CG 3.44Å; Q246-M250 PolarHBondContact O-N 3.31Å; R247-M250 PolarHBondContact O-N 3.35Å; M250-K252 PolarHBondContact O-N 3.17Å; M250-L253 PolarHBondContact O-N 3.28Å; M250-A254 PolarHBondContact O-N 3.44Å
251K98Very high96.6Very high134 Ų13488.8 Ų88.858%0.58342%0.417SS*.Hα-helixtrans-62.6-40.9174.5-173177.8-177.1178.40112.1R247 A248 K249 R255R247-K251 PolarHBondContact O-N 2.96Å; A248-K251 PolarHBondContact O-N 2.98Å; K249-K251 VanDerWaalsContact C-N 3.34Å; K249-K251 PolarHBondContact O-N 3.01Å; K251-R255 WeakPolarHBondContact O-CG 3.42Å; K251-R255 PolarHBondContact O-N 3.23Å; K251-R255 VanDerWaalsContact O-N 3.13Å
252K98.2Very high96.4Very high161 Ų16193.3 Ų93.370%0.744%0.436SS*.Hα-helixtrans-65.5-40.9176.9-172.9175.8-179.1178.70111.6A248 K249 M250 R255 R256A248-K252 WeakPolarHBondContact O-CB 3.44Å; A248-K252 PolarHBondContact O-N 3.07Å; K249-K252 PolarHBondContact O-N 2.92Å; K249-K252 VanDerWaalsContact O-N 3.16Å; M250-K252 PolarHBondContact O-N 3.17Å; K252-R255 PolarHBondContact O-N 3.15Å; K252-R256 PolarHBondContact O-N 2.94Å; K252-R256 VanDerWaalsContact O-N 3.11Å
253L96.4Very high96.1Very high54 Ų5495.1 Ų95.128%0.28345%0.449SS..Hα-helixtrans-63.2-46.4176.9-177.260.7000111.7K249 M250 R255 R256 Q257K249-L253 PolarHBondContact O-N 3.06Å; M250-L253 PolarHBondContact O-N 3.28Å; L253-R255 PolarHBondContact O-N 2.87Å; L253-R256 VanDerWaalsContact CD1-NH2 3.25Å; L253-R256 PolarHBondContact O-N 3.42Å; L253-Q257 PolarHBondContact O-N 3.13Å
254A96.4Very high95.7Very high44 Ų44100.9 Ų100.936%0.36448%0.475SS..Hα-helixtrans-60.9-42.5177.700000112.7M250 R256 Q257 Q258M250-A254 PolarHBondContact O-N 3.44Å; A254-R256 VanDerWaalsContact C-N 3.33Å; A254-R256 PolarHBondContact O-N 3.19Å; A254-Q257 PolarHBondContact O-N 3.33Å; A254-Q258 WeakPolarHBondContact O-CG 3.49Å; A254-Q258 PolarHBondContact O-N 2.83Å; A254-Q258 VanDerWaalsContact O-N 3.13Å
255R96.6Very high95.2Very high156 Ų156102.6 Ų102.659%0.58948%0.483SS*.Hα-helixtrans-61.5-40.2174.7-74.4-175.7179.5-77.97112.3K251 K252 L253 Q258 Q259K251-R255 WeakPolarHBondContact O-CG 3.42Å; K251-R255 PolarHBondContact O-N 3.23Å; K251-R255 VanDerWaalsContact O-N 3.13Å; K252-R255 PolarHBondContact O-N 3.15Å; L253-R255 PolarHBondContact O-N 2.87Å; R255-Q258 PolarHBondContact O-N 3.44Å; R255-Q259 PolarHBondContact O-N 3.14Å
256R96.6Very high94.9Very high124 Ų124102.6 Ų102.647%0.46848%0.483SS..Hα-helixtrans-66.4-39178.6-166.317575.7-118.19112K252 L253 A254 Q259 Q260K252-R256 PolarHBondContact O-N 2.94Å; K252-R256 VanDerWaalsContact O-N 3.11Å; L253-R256 VanDerWaalsContact CD1-NH2 3.25Å; L253-R256 PolarHBondContact O-N 3.42Å; A254-R256 VanDerWaalsContact C-N 3.33Å; A254-R256 PolarHBondContact O-N 3.19Å; R256-Q259 PolarHBondContact O-N 3.36Å; R256-Q260 WeakPolarHBondContact O-CG 3.43Å; R256-Q260 PolarHBondContact O-N 3.42Å
257Q94.8Very high94.4Very high100 Ų100105.3 Ų105.347%0.46750%0.503SS..Hα-helixtrans-64.4-40.1175.5-72.1172.6-10.700112L253 A254 Q260 Q261L253-Q257 PolarHBondContact O-N 3.13Å; A254-Q257 PolarHBondContact O-N 3.33Å; Q257-Q260 PolarHBondContact O-N 3.38Å; Q257-Q261 WeakPolarHBondContact O-CG 3.34Å; Q257-Q261 PolarHBondContact O-N 2.89Å
258Q94.3Very high93.7Very high127 Ų127108 Ų10859%0.59352%0.519SS*.Hα-helixtrans-64.1-42.3174.9-71.4174.6-5.600112.1A254 R255 Q261 Q262A254-Q258 WeakPolarHBondContact O-CG 3.49Å; A254-Q258 PolarHBondContact O-N 2.83Å; A254-Q258 VanDerWaalsContact O-N 3.13Å; R255-Q258 PolarHBondContact O-N 3.44Å; Q258-Q261 PolarHBondContact O-N 3.2Å; Q258-Q262 PolarHBondContact O-N 3.44Å
259Q93.9Very high92.8Very high116 Ų116114.8 Ų114.854%0.54253%0.532SS..Hα-helixtrans-63.5-43.1177.3-170.1171.76.700111.8R255 R256 Q261 Q262 D263R255-Q259 PolarHBondContact O-N 3.14Å; R256-Q259 PolarHBondContact O-N 3.36Å; Q259-Q261 VanDerWaalsContact C-N 3.29Å; Q259-Q261 PolarHBondContact O-N 3.45Å; Q259-Q262 PolarHBondContact O-N 3.49Å; Q259-Q262 VanDerWaalsContact O-N 3.14Å; Q259-D263 VanDerWaalsContact O-CG 3.28Å; Q259-D263 PolarHBondContact O-N 3.28Å
260Q93.7Very high91.9Very high99 Ų99115.2 Ų115.246%0.46354%0.539SS..Hα-helixtrans-63-31.7176.4-74.1175.6-18.900113.5R256 Q257 Q264R256-Q260 WeakPolarHBondContact O-CG 3.43Å; R256-Q260 PolarHBondContact O-N 3.42Å; Q257-Q260 PolarHBondContact O-N 3.38Å; Q260-Q264 WeakPolarHBondContact O-CB 3.44Å; Q260-Q264 WeakPolarHBondContact O-CG 3.49Å; Q260-Q264 PolarHBondContact O-N 3.49Å; Q260-Q264 PolarHBondContact O-NE2 3.46Å
261Q91.9Very high90.9Very high118 Ų118115.1 Ų115.155%0.55155%0.545SS*.Hα-helixtrans-72.8-39.2174.1-70.5172.919.800111.4Q257 Q258 Q259 Q264 Q265Q257-Q261 WeakPolarHBondContact O-CG 3.34Å; Q257-Q261 PolarHBondContact O-N 2.89Å; Q258-Q261 PolarHBondContact O-N 3.2Å; Q259-Q261 VanDerWaalsContact C-N 3.29Å; Q259-Q261 PolarHBondContact O-N 3.45Å; Q261-Q264 PolarHBondContact O-N 3.01Å; Q261-Q265 WeakPolarHBondContact O-CG 3.43Å; Q261-Q265 PolarHBondContact O-N 2.84Å
262Q92.3Very high89.5Confident137 Ų137112.8 Ų112.864%0.6455%0.546SS*.Hα-helixtrans-66.5-41.6176.6-168.3173.21400111.6Q258 Q259 Q264 Q265 N266Q258-Q262 PolarHBondContact O-N 3.44Å; Q259-Q262 PolarHBondContact O-N 3.49Å; Q259-Q262 VanDerWaalsContact O-N 3.14Å; Q262-Q264 VanDerWaalsContact C-N 3.34Å; Q262-Q264 PolarHBondContact O-N 3.01Å; Q262-Q265 PolarHBondContact O-N 3.11Å; Q262-N266 WeakPolarHBondContact O-CB 3.47Å; Q262-N266 PolarHBondContact O-N 3.37Å
263D92.5Very high87.9Confident81 Ų81109 Ų10943%0.43355%0.545SS..Hα-helixtrans-64.8-38176.6-67.6-28.3000111.7Q259 N266 T267Q259-D263 VanDerWaalsContact O-CG 3.28Å; Q259-D263 PolarHBondContact O-N 3.28Å; D263-N266 PolarHBondContact O-N 3.25Å; D263-T267 WeakPolarHBondContact O-CB 3.39Å; D263-T267 PolarHBondContact O-N 3.36Å; D263-T267 PolarHBondContact O-OG1 3.31Å
264Q89.1Confident86.3Confident121 Ų121114.5 Ų114.557%0.56557%0.569SS**Hα-helixtrans-64.5-43.9173.7-80.6173.282.600112.4Q260 Q261 Q262 T267 Q268Q260-Q264 WeakPolarHBondContact O-CB 3.44Å; Q260-Q264 WeakPolarHBondContact O-CG 3.49Å; Q260-Q264 PolarHBondContact O-N 3.49Å; Q260-Q264 PolarHBondContact O-NE2 3.46Å; Q261-Q264 PolarHBondContact O-N 3.01Å; Q262-Q264 VanDerWaalsContact C-N 3.34Å; Q262-Q264 PolarHBondContact O-N 3.01Å; Q264-T267 PolarHBondContact O-N 3.19Å; Q264-Q268 WeakPolarHBondContact O-CG 3.47Å; Q264-Q268 PolarHBondContact O-N 3.29Å; Q264-Q268 VanDerWaalsContact O-N 3.08Å
265Q89Confident84.6Confident129 Ų129117.7 Ų117.760%0.60358%0.584SS**Hα-helixtrans-65.6-38.5176.1-72.6-179.614.600112.2Q261 Q262 Q268 R269Q261-Q265 WeakPolarHBondContact O-CG 3.43Å; Q261-Q265 PolarHBondContact O-N 2.84Å; Q262-Q265 PolarHBondContact O-N 3.11Å; Q265-Q268 PolarHBondContact O-N 3.43Å; Q265-R269 PolarHBondContact O-N 2.97Å
266N89.9Confident82.3Confident100 Ų100117.7 Ų117.754%0.53560%0.596SS.*Hα-helixtrans-68.2-38178.5-155.116000111.3Q262 D263 R269 L270Q262-N266 WeakPolarHBondContact O-CB 3.47Å; Q262-N266 PolarHBondContact O-N 3.37Å; D263-N266 PolarHBondContact O-N 3.25Å; N266-R269 PolarHBondContact O-N 3.32Å; N266-L270 PolarHBondContact O-N 2.91Å
267T88Confident79.8Confident97 Ų97116 Ų11660%0.59562%0.617SS**Hα-helixtrans-63.4-42.5174.6-53.80000111.6D263 Q264 L270 S271D263-T267 WeakPolarHBondContact O-CB 3.39Å; D263-T267 PolarHBondContact O-N 3.36Å; D263-T267 PolarHBondContact O-OG1 3.31Å; Q264-T267 PolarHBondContact O-N 3.19Å; T267-L270 PolarHBondContact O-N 3.16Å; T267-S271 PolarHBondContact O-N 3.38Å; T267-S271 VanDerWaalsContact O-N 3.09Å; T267-S271 PolarHBondContact O-OG 2.86Å
268Q83.4Confident77.2Confident130 Ų130114.7 Ų114.761%0.60763%0.63SS**Hα-helixtrans-66.8-39.1176.8-72.2-1781000113Q264 Q265 L270 S271 S272Q264-Q268 WeakPolarHBondContact O-CG 3.47Å; Q264-Q268 PolarHBondContact O-N 3.29Å; Q264-Q268 VanDerWaalsContact O-N 3.08Å; Q265-Q268 PolarHBondContact O-N 3.43Å; Q268-L270 VanDerWaalsContact C-N 3.34Å; Q268-S271 WeakPolarHBondContact CA-OG 3.41Å; Q268-S271 PolarHBondContact O-N 3.49Å; Q268-S271 PolarHBondContact O-OG 3.11Å; Q268-S272 PolarHBondContact O-N 3.5Å; Q268-S272 PolarHBondContact O-OG 3.39Å
269R80.1Confident74.4Confident199 Ų199112.6 Ų112.675%0.75164%0.642SS**Hα-helixtrans-65.3-37.6174.9-76.8-164.5179.5-1191.9112.3Q265 N266 S271 S272 A273Q265-R269 PolarHBondContact O-N 2.97Å; N266-R269 PolarHBondContact O-N 3.32Å; R269-S271 VanDerWaalsContact C-N 3.34Å; R269-S272 PolarHBondContact O-N 3.13Å; R269-A273 PolarHBondContact O-N 3.01Å
270L77.4Confident71.6Confident122 Ų122113.2 Ų113.264%0.63966%0.66SS**Hα-helixtrans-65.5-36.3175.3-125.474.9000112.1N266 T267 Q268N266-L270 PolarHBondContact O-N 2.91Å; T267-L270 PolarHBondContact O-N 3.16Å; Q268-L270 VanDerWaalsContact C-N 3.34Å
271S75.9Confident68.9Low68 Ų68113 Ų11348%0.47668%0.675SS.*Hα-helixtrans-70.8-38.717653.30000113.4T267 Q268 R269 Q274T267-S271 PolarHBondContact O-N 3.38Å; T267-S271 VanDerWaalsContact O-N 3.09Å; T267-S271 PolarHBondContact O-OG 2.86Å; Q268-S271 WeakPolarHBondContact CA-OG 3.41Å; Q268-S271 PolarHBondContact O-N 3.49Å; Q268-S271 PolarHBondContact O-OG 3.11Å; R269-S271 VanDerWaalsContact C-N 3.34Å; S271-Q274 PolarHBondContact O-N 2.94Å
272S68.4Low66Low86 Ų86110.9 Ų110.960%0.60169%0.685SS**Hα-helixtrans-75.5-24.6-179.2-54.30000113.6Q268 R269 Q274 T275Q268-S272 PolarHBondContact O-N 3.5Å; Q268-S272 PolarHBondContact O-OG 3.39Å; R269-S272 PolarHBondContact O-N 3.13Å; S272-Q274 PolarHBondContact O-N 3.33Å; S272-T275 PolarHBondContact O-OG1 3.47Å
273A64.4Low63.3Low82 Ų82111.6 Ų111.668%0.67869%0.69SS**THydrogen-bonded Turntrans-71.3-16.6175.900000113.1R269R269-A273 PolarHBondContact O-N 3.01Å
274Q64.7Low60.5Low168 Ų168115.2 Ų115.279%0.78570%0.704SS**THydrogen-bonded Turntrans-86.5-3.1-178.7-77.8-176-2.200114.8S271 S272S271-Q274 PolarHBondContact O-N 2.94Å; S272-Q274 PolarHBondContact O-N 3.33Å
275T59Low58.2Low112 Ų112113.1 Ų113.169%0.68772%0.715SS**SBendtrans-107.19.4-173.962.30000116.3S272S272-T275 PolarHBondContact O-OG1 3.47Å
276N48.4Very low55.8Low156 Ų156114.5 Ų114.583%0.83473%0.725SS**  trans-137.872.6172.9-107.3-2.3000111.7
277G45.8Very low53.2Low89 Ų89117.7 Ų117.792%0.91874%0.739SS**  trans-129.350.116700000110.2
278G38.8Very low51.1Low72 Ų72120.6 Ų120.674%0.74275%0.751SS**  trans-156.191.8177.900000110.6
279G36.6Very low49.3Very low82 Ų82118.5 Ų118.585%0.84575%0.748SS**  trans170.292.8178.400000113
280S33.5Very low47.2Very low130 Ų130119.1 Ų119.191%0.90975%0.752SS**  trans-73.2128.7176.31780000112.6
281A37Very low45.2Very low95 Ų95118.8 Ų118.879%0.78576%0.755SS**  trans163.4121.3150.800000105.9
282G32.6Very low43.4Very low73 Ų73120 Ų12075%0.75377%0.77SS**  cis111.9117.548.900000107.4
283M34.7Very low41.5Very low152 Ų152123.5 Ų123.575%0.74978%0.781SS**  trans60.8115.5159.8-87.5-61.9-123.400120.1
284E34.8Very low40.3Very low156 Ų156125.4 Ų125.473%0.72979%0.786SS**  trans57.6122.3133.377.1-142.7145.200123
285G40.5Very low38.7Very low77 Ų77123.5 Ų123.579%0.79479%0.786SS**  trans-173.570.917200000110.3
286I38.6Very low37.6Very low158 Ų158124 Ų12481%0.8179%0.792SS**  trans-62.5134.1175.2-69.6170.7000110.2
287M33.9Very low36.8Very low167 Ų167124.7 Ų124.782%0.82379%0.79SS**  trans54.3115.3156-64.1-82.1172.500118.6
288N44Very low36.2Very low159 Ų159127.7 Ų127.785%0.8578%0.78SS**  -165.9154.9109.3-13337000112.8
289P46.9Very low35.9Very low86 Ų86131 Ų13156%0.55878%0.78SS**  trans-110.5170.6-163.442.5-33.3000114.6
290Y35.2Very low35.7Very low211 Ų211135.1 Ų135.183%0.82778%0.781SS**  trans72.3112.6161.5-71.1-77.6000119.8
291T35.1Very low35.9Very low115 Ų115133.6 Ų133.671%0.70678%0.777SS**  63100.1129.9-34.80000118.5
292A38.9Very low35.8Very low95 Ų95136.1 Ų136.179%0.78578%0.776SS**  trans-135.6109.1142.600000109
293L29.1Very low35.7Very low158 Ų158140.9 Ų140.983%0.82778%0.778SS**PPolyproline II helixtrans-56.5135.7160.4-80.9126.4000109.5
294P37.4Very low35.5Very low123 Ų123141.4 Ų141.480%0.79978%0.779SS**PPolyproline II helixtrans-103120154.212.86.8000109.6
295T32.9Very low35.3Very low128 Ų128139.4 Ų139.479%0.78578%0.783SS**PPolyproline II helixtrans-59147.5170.727.50000112.5Q297T295-Q297 PolarHBondContact O-N 3.45Å
296P35Very low34.8Very low123 Ų123140.9 Ų140.980%0.79978%0.776SS**  trans-95.696.8-176.734.6-27000110.1
297Q32Very low34.5Very low170 Ų170143.4 Ų143.479%0.79478%0.777SS**  trans-146.8114.9166.4-84.2-152.2-20.900113.6T295T295-Q297 PolarHBondContact O-N 3.45Å
298Q31.9Very low34.7Very low152 Ų152141.4 Ų141.471%0.7178%0.779SS**  trans98.4123.8139-67.4-162.815.800121.7
299L33.1Very low34Very low140 Ų140138.7 Ų138.773%0.73377%0.772SS**  trans92.497.8134.8-78.5159.7000119.7A301L299-A301 PolarHBondContact O-N 3.06Å
300L33Very low33.6Very low169 Ų169142.2 Ų142.289%0.88579%0.787SS**  trans0108.2140.6-60.3170.1000116
301A36.6Very low33.8Very low99 Ų99137 Ų13782%0.81878%0.778SS**  trans-118.2108.7150.600000107.5L299L299-A301 PolarHBondContact O-N 3.06Å
302I36Very low33.8Very low148 Ų148139.8 Ų139.876%0.75978%0.781SS**  trans-85108.5172.7-163.1152.9000106.2
303E30.1Very low33.7Very low172 Ų172147 Ų14780%0.80479%0.788SS**  trans-117.2107.1169.3-92.1-76.113100107.4S305E303-S305 PolarHBondContact O-N 3.39Å
304Q29.9Very low34.1Very low163 Ų163148.1 Ų148.176%0.76279%0.789SS**  trans-71.5101.1172.1-67.8170.48.400107.9
305S32.2Very low33.9Very low115 Ų115145.2 Ų145.280%0.80478%0.782SS**  trans-10689.2161.126.80000108.6E303E303-S305 PolarHBondContact O-N 3.39Å
306V29.5Very low34.2Very low108 Ų108147.5 Ų147.566%0.65579%0.788SS**  trans-73.6140.8161.2-172.60000107.1
307Y31.5Very low34.5Very low210 Ų210148 Ų14882%0.82479%0.789SS**  trans85.992.4177.5-60.9-79.5000117.7
308S38.4Very low34.8Very low126 Ų126145.5 Ų145.588%0.88179%0.787SS**  -149.5110.2126.8-146.70000109.5
309S29.2Very low35.3Very low101 Ų101144.3 Ų144.371%0.70679%0.793SS**  trans-95.6119171.4-50.40000106.7
310D38.4Very low35.1Very low160 Ų160146.8 Ų146.886%0.85680%0.801SS**  trans-158.6142.7152.8-127.2-76.7000111.6
311P40.1Very low35.2Very low101 Ų101147 Ų14766%0.65680%0.8SS**  trans-96.5176.3-164.914.56.3000113.8
312F34.6Very low35.3Very low174 Ų174148 Ų14876%0.76380%0.797SS**  trans86.481173.3-76.7-91.6000118.8
313R36Very low35.1Very low248 Ų248143.8 Ų143.894%0.93679%0.791SS**  trans-142.181.9141.8-86.1-68.4140.5162.6-4.5110.5
314Q38.7Very low35.2Very low181 Ų181143.7 Ų143.785%0.84680%0.795SS**  trans-76.2119.2152-85.7156.9-61.400107.1
315G33.3Very low35.5Very low62 Ų62144 Ų14464%0.63980%0.797SS**  trans178.361.6-179.400000112.9
316L39Very low35.6Very low175 Ų175147.3 Ų147.392%0.91680%0.801SS**  trans-140.962.9164.5-67.8178.9000109.2
317T41.7Very low35.8Very low134 Ų134150.5 Ų150.582%0.82281%0.809SS**PPolyproline II helixtrans-92.311616144.30000108.1
318P37Very low36Very low117 Ų117144.9 Ų144.976%0.7680%0.798SS**PPolyproline II helixtrans-63147.7-178.8-22.733.8000113.2
319P42.2Very low36Very low127 Ų127149.4 Ų149.483%0.82580%0.798SS**PPolyproline II helixtrans-75.4136.4-170.729.5-33000113
320Q29.2Very low36Very low192 Ų192147.9 Ų147.990%0.89780%0.798SS**PPolyproline II helixtrans-76.5130.4172-74.3178.5-30.400110.5
321M36.2Very low35.8Very low175 Ų175144.9 Ų144.986%0.86280%0.795SS**PPolyproline II helixtrans-80.4134.2174.7-74-66.8-66.800110.8
322P38.9Very low35.4Very low119 Ų119148.6 Ų148.677%0.77380%0.804SS**PPolyproline II helixtrans-66.5144.8179.5-22.734.5000113.8
323G31.5Very low35.6Very low60 Ų60144.2 Ų144.262%0.61979%0.793SS**PPolyproline II helixtrans-77168.6-172.600000115.6
324D32.1Very low35.5Very low169 Ų169140.7 Ų140.790%0.90479%0.792SS**  trans-131.4124.1149.2-84.7-48.2000108.6
325H36.3Very low34.9Very low170 Ų170141.2 Ų141.279%0.78779%0.791SS**  trans-72.7121.9-177.7-64.3-96000110.2
326M34Very low35Very low184 Ų184146.5 Ų146.591%0.90680%0.799SS**  trans-12483.9155.8-79.1-67.6157.400108.7
327H32.6Very low34.6Very low176 Ų176144.5 Ų144.582%0.81579%0.789SS**  trans-114.8117.1161.6-110.9-68.5000107.2
328P37.5Very low34.5Very low91 Ų91145.6 Ų145.659%0.59179%0.789SS**  trans-124127.3152.432.7-18.6000109.9
329Y37.4Very low34.1Very low222 Ų222145.8 Ų145.887%0.87178%0.784SS**  trans73.7116.3176.6-48.3-78.7000114.7
330G30.2Very low34.4Very low69 Ų69145.4 Ų145.471%0.71178%0.784SS**  cis93.1104.11700000111.3
331A33.4Very low34.6Very low97 Ų97142.6 Ų142.680%0.80278%0.775SS**  trans84.6108.9155.200000121.1
332E32.2Very low34.7Very low178 Ų178141.2 Ų141.283%0.83277%0.772SS**  83144129.4-71.9-70.6119.900121.9
333P38.6Very low34.4Very low83 Ų83140.3 Ų140.354%0.53976%0.764SS.*  trans-94.5138-15837.1-30.7000112
334L33.4Very low34.5Very low174 Ų174142.6 Ų142.691%0.91177%0.771SS**  trans-117.6103.1167.3-68.6175.1000108.4H336L334-H336 PolarHBondContact O-N 3.13Å
335F27.1Very low34.5Very low191 Ų191142.5 Ų142.584%0.83877%0.769SS**  trans-48.3126.9157.4-70.1-98000108.9
336H35.1Very low34.6Very low174 Ų174140.4 Ų140.481%0.80677%0.773SS**  trans-14298.5150.2-134-59000109.3L334L334-H336 PolarHBondContact O-N 3.13Å
337D29.8Very low34.4Very low132 Ų132138.8 Ų138.871%0.70677%0.768SS**  trans-47.5132.2155.1-134.6-72.4000109.9
338L39.2Very low34.5Very low157 Ų157138.6 Ų138.682%0.82277%0.773SS**  trans-15387.3161.2-121.1136.6000108.2
339D29.5Very low34.1Very low122 Ų122137.3 Ų137.365%0.65278%0.776SS**  trans-35.8130.5156-113.8-54.1000112.2
340S47.3Very low33.9Very low118 Ų118134.3 Ų134.383%0.82578%0.775SS**  trans-142.388.3154.2-1670000107.4D342S340-D342 PolarHBondContact O-N 3.14Å
341D33.9Very low33.9Very low133 Ų133135.6 Ų135.671%0.71177%0.772SS**  trans-46.9121.2157.2-93.8-61.4000111
342D38.1Very low33.8Very low147 Ų147141.2 Ų141.279%0.78678%0.779SS**  trans-144.191.9132.7-169-135.9000109.2S340S340-D342 PolarHBondContact O-N 3.14Å
343T33.1Very low33.7Very low100 Ų100140.1 Ų140.161%0.61378%0.778SS**  trans1.1117.3136.822.10000117.1
344S33.7Very low33.3Very low108 Ų108140.2 Ų140.276%0.75579%0.785SS**  165107.3116.1-69.80000113.5
345L31.7Very low33.1Very low166 Ų166138.3 Ų138.387%0.86978%0.782SS**  trans59.295.8139-52.7178.4000119.5
346S38.8Very low33.1Very low126 Ų126134.4 Ų134.488%0.88178%0.778SS**  -169.696.7117.9-78.30000109.9
347N30.5Very low32.7Very low150 Ų150135.5 Ų135.580%0.80278%0.783SS**  trans-54.4130.9171.3-164.324.3000111.2
348L34.3Very low32.7Very low173 Ų173134.4 Ų134.491%0.90679%0.793SS**  trans166.973.1139.3-86.7178.1000108.2
349G28.9Very low32.2Very low64 Ų64130.2 Ų130.266%0.6679%0.787SS**  trans-144.886.3168.800000108
350D32.3Very low32.5Very low159 Ų159130.7 Ų130.785%0.8580%0.797SS**  trans-147.1117.9160.1-103.5-39.9000111.7
351C30.7Very low31.8Very low96 Ų96132.7 Ų132.765%0.64980%0.798SS**  trans58.1104.2135.7-156.40000119
352F32.2Very low31.9Very low214 Ų214134 Ų13494%0.93980%0.799SS**  -146.1104.4129.8-106.4-79.7000110.1
353L29.4Very low31.9Very low155 Ų155133 Ų13381%0.81280%0.804SS**  trans-79.1155.2157.2-81.5166.8000109.4
354A30.4Very low32.3Very low85 Ų85137.7 Ų137.770%0.70281%0.81SS**  trans79.4108.3172.400000115.3
355T30Very low33Very low135 Ų135139.4 Ų139.483%0.82882%0.816SS**  -179.5148.679.939.30000109.8
356S26.4Very low33.9Very low109 Ų109133.9 Ų133.976%0.76280%0.799SS**  trans-39.5140.7164.1-40.30000113.2
357E26.9Very low35.1Very low196 Ų196132 Ų13292%0.91678%0.779SS**  trans167.3150.4133.4-77.7-117.3111.700110.4
358A29.3Very low36.6Very low110 Ų110129.5 Ų129.591%0.90977%0.771SS**  trans-66.9138.5-165.200000115.3
359G28.7Very low38.2Very low68 Ų68125.9 Ų125.970%0.70175%0.752SS**  trans-176.4116.3164.800000112.8L361G359-L361 PolarHBondContact O-N 3.07Å
360P36.9Very low39.7Very low133 Ų133127.5 Ų127.586%0.86475%0.746SS**  trans-92.581.9-176.334.4-30.3000111.1
361L32.2Very low41.3Very low159 Ų159125.9 Ų125.983%0.83273%0.733SS**  trans-152.698166.9-84.2-176.6000110.7G359G359-L361 PolarHBondContact O-N 3.07Å
362Q35.2Very low42.7Very low161 Ų161126 Ų12675%0.75273%0.726SS**  trans-171.981.9142.5-105.6173.114.900109.9R364Q362-R364 VanDerWaalsContact C-N 3.29Å; Q362-R364 PolarHBondContact O-N 2.87Å; Q362-R364 VanDerWaalsContact O-N 3.15Å
363S39.2Very low43.5Very low126 Ų126122.7 Ų122.788%0.88171%0.708SS**  trans-75.883.8157.9400000108.4
364R41.6Very low45.1Very low198 Ų198118.8 Ų118.875%0.74769%0.694SS**  trans-112.3122.9171.2-85-167.8173.9174.2-0.1110Q362Q362-R364 VanDerWaalsContact C-N 3.29Å; Q362-R364 PolarHBondContact O-N 2.87Å; Q362-R364 VanDerWaalsContact O-N 3.15Å
365V48.5Very low46.1Very low144 Ų144120.5 Ų120.587%0.87369%0.689SS**  trans65.970.5165.6-1620000114.6
366G50.2Low46.9Very low50 Ų50119.2 Ų119.252%0.51567%0.674SS.*  trans-68.2129.4165.800000110.7
367N62.9Low48.2Very low86 Ų86119.8 Ų119.846%0.4667%0.668SS.*  trans-59.9138.9174.2-177.5-26.8000109.1I369 D370N367-I369 PolarHBondContact O-N 3.09Å; N367-I369 PolarHBondContact OD1-N 3.43Å; N367-D370 WeakPolarHBondContact O-CB 3.42Å; N367-D370 PolarHBondContact O-N 3.34Å
368P62.6Low49.4Very low99 Ų99113.5 Ų113.564%0.64365%0.646SS**Hα-helixtrans-52-21.417818.8-34000114.9H371P368-H371 PolarHBondContact O-N 2.92Å
369I68.7Low50.4Low97 Ų97116.8 Ų116.850%0.49764%0.636SS.*Hα-helixtrans-65.9-35.6172.1-73.6172.3000112.4N367 H371 L372 Y373N367-I369 PolarHBondContact O-N 3.09Å; N367-I369 PolarHBondContact OD1-N 3.43Å; I369-H371 VanDerWaalsContact C-N 3.27Å; I369-H371 PolarHBondContact O-N 3.31Å; I369-L372 WeakPolarHBondContact O-CB 3.21Å; I369-L372 PolarHBondContact O-N 3.37Å; I369-Y373 HydrophobicContact CG2-CD2 3.98Å; I369-Y373 HydrophobicContact CG2-CE2 3.91Å; I369-Y373 PolarHBondContact O-N 2.84Å
370D59.5Low51.1Low98 Ų98121.3 Ų121.352%0.52464%0.637SS.*Hα-helixtrans-66.8-30.2178.4-77.5-56.3000112.2N367 L372 Y373 S374N367-D370 WeakPolarHBondContact O-CB 3.42Å; N367-D370 PolarHBondContact O-N 3.34Å; D370-L372 VanDerWaalsContact C-N 3.27Å; D370-L372 PolarHBondContact O-N 3.07Å; D370-Y373 PolarHBondContact O-N 2.79Å; D370-S374 PolarHBondContact O-N 2.7Å
371H66.5Low51.1Low125 Ų125120.3 Ų120.358%0.57963%0.628SS**Hα-helixtrans-64.5-32172.6-74.5-83.1000112.2P368 I369 M375P368-H371 PolarHBondContact O-N 2.92Å; I369-H371 VanDerWaalsContact C-N 3.27Å; I369-H371 PolarHBondContact O-N 3.31Å; H371-M375 WeakPolarHBondContact O-CG 3.31Å; H371-M375 PolarHBondContact O-N 2.94Å
372L60.1Low51.7Low99 Ų99121.2 Ų121.252%0.51865%0.648SS.*Hα-helixtrans-71.1-38.3174.6-69166.7000111.9I369 D370 M375 Q376I369-L372 WeakPolarHBondContact O-CB 3.21Å; I369-L372 PolarHBondContact O-N 3.37Å; D370-L372 VanDerWaalsContact C-N 3.27Å; D370-L372 PolarHBondContact O-N 3.07Å; L372-M375 HydrophobicContact CD2-CE 3.82Å; L372-M375 PolarHBondContact O-N 3.47Å; L372-Q376 PolarHBondContact O-N 2.77Å; L372-Q376 VanDerWaalsContact O-N 3.12Å
373Y49.1Very low52.5Low143 Ų143119.2 Ų119.256%0.56164%0.643SS**Hα-helixtrans-68.3-39.3176.2-84.8-77.8000112.4I369 D370 M375 Q376 N377I369-Y373 HydrophobicContact CG2-CD2 3.98Å; I369-Y373 HydrophobicContact CG2-CE2 3.91Å; I369-Y373 PolarHBondContact O-N 2.84Å; D370-Y373 PolarHBondContact O-N 2.79Å; Y373-M375 VanDerWaalsContact C-N 3.32Å; Y373-M375 PolarHBondContact O-N 2.98Å; Y373-Q376 PolarHBondContact O-N 3.5Å; Y373-N377 PolarHBondContact O-N 3.46Å; Y373-N377 VanDerWaalsContact O-N 3.13Å
374S61.7Low53.2Low74 Ų74118.8 Ų118.852%0.51763%0.63SS.*Hα-helixtrans-62.1-37.8173.7-174.90000112.5D370 S378D370-S374 PolarHBondContact O-N 2.7Å; S374-S378 WeakPolarHBondContact O-CB 3.48Å; S374-S378 PolarHBondContact O-N 2.71Å; S374-S378 PolarHBondContact O-OG 2.75Å
375M51.5Low53.8Low121 Ų121114.4 Ų114.460%0.59662%0.624SS**Hα-helixtrans-69.4-31.5174.6-75.9-161.2-67.200113.6H371 L372 Y373 Y379H371-M375 WeakPolarHBondContact O-CG 3.31Å; H371-M375 PolarHBondContact O-N 2.94Å; L372-M375 HydrophobicContact CD2-CE 3.82Å; L372-M375 PolarHBondContact O-N 3.47Å; Y373-M375 VanDerWaalsContact C-N 3.32Å; Y373-M375 PolarHBondContact O-N 2.98Å; M375-Y379 WeakPolarHBondContact O-CB 3.48Å; M375-Y379 PolarHBondContact O-N 2.82Å
376Q47.8Very low54.2Low108 Ų108112.7 Ų112.751%0.50561%0.609SS.*Hα-helixtrans-70.7-45.4176-75.3-177.38.700111.5L372 Y373 S378 Y379 F380L372-Q376 PolarHBondContact O-N 2.77Å; L372-Q376 VanDerWaalsContact O-N 3.12Å; Y373-Q376 PolarHBondContact O-N 3.5Å; Q376-S378 PolarHBondContact O-N 2.83Å; Q376-Y379 PolarHBondContact O-N 3.46Å; Q376-Y379 VanDerWaalsContact O-N 3.07Å; Q376-F380 WeakPolarHBondContact O-CD2 3.31Å
377N52.5Low54.4Low121 Ų121116.6 Ų116.665%0.64762%0.615SS**Hα-helixtrans-62.7-34179.4-70.3-4.8000112.3Y373 Y379 T381Y373-N377 PolarHBondContact O-N 3.46Å; Y373-N377 VanDerWaalsContact O-N 3.13Å; N377-Y379 VanDerWaalsContact C-N 3.33Å; N377-Y379 PolarHBondContact O-N 3.16Å; N377-T381 PolarHBondContact O-OG1 3.2Å
378S52.5Low53.8Low64 Ų64118.7 Ų118.745%0.44863%0.625SS.*Hα-helixtrans-73.5-19.7176.9-54.70000114.2S374 Q376S374-S378 WeakPolarHBondContact O-CB 3.48Å; S374-S378 PolarHBondContact O-N 2.71Å; S374-S378 PolarHBondContact O-OG 2.75Å; Q376-S378 PolarHBondContact O-N 2.83Å
379Y49.8Very low53.2Low178 Ų178120.1 Ų120.170%0.69862%0.624SS**Hα-helixtrans-90.2-13.2-174-161.6-99.2000113.2M375 Q376 N377M375-Y379 WeakPolarHBondContact O-CB 3.48Å; M375-Y379 PolarHBondContact O-N 2.82Å; Q376-Y379 PolarHBondContact O-N 3.46Å; Q376-Y379 VanDerWaalsContact O-N 3.07Å; N377-Y379 VanDerWaalsContact C-N 3.33Å; N377-Y379 PolarHBondContact O-N 3.16Å
380F45.1Very low52Low163 Ų163121.8 Ų121.872%0.71563%0.634SS**SBendtrans-105.7-5.4-175-67.4-67.5000115.1Q376Q376-F380 WeakPolarHBondContact O-CD2 3.31Å
381T36.7Very low51.4Low112 Ų112123.8 Ų123.869%0.68764%0.643SS**  trans-101.775.5171.412.60000110.3N377N377-T381 PolarHBondContact O-OG1 3.2Å
382S43.4Very low50Low178 Ų178123.7 Ų123.7100%1.24565%0.649SS**  trans-175.70156.1-70.50000109.1

Retrieved 382 of 382 residues in 69.3 ms (Link to these results)