A0A087YQL4_POEFO Loading...

Potassium channel tetramerization domain containing 4

AlphaFold DB , UniProt , Accession A0A087YQL4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 260 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
1R58.8Low59.4Low254 Ų254142.1 Ų142.196%0.95861%0.605SS**  0-700-69.1-157.6-99.6-159.3-1.9114.3E4 W5R1-E4 WeakPolarHBondContact CA-OE2 3.43Å; R1-E4 PolarHBondContact N-OE2 3.21Å; R1-W5 PolarHBondContact O-N 3.02Å
2R50.1Low60.1Low217 Ų217135.3 Ų135.382%0.81959%0.59SS**Hα-helixtrans-69.8-36.2179.9-163.5173.9-175.9177.40.4114.1N6R2-N6 PolarHBondContact O-N 3.3Å
3M51.2Low60.7Low155 Ų155133.1 Ų133.176%0.76458%0.583SS**Hα-helixtrans-68.2-41.3175.9-83.1174.3174.600113.5W5 N6 L7M3-W5 PolarHBondContact O-N 3.14Å; M3-N6 PolarHBondContact O-N 3.31Å; M3-L7 PolarHBondContact O-N 3.22Å
4E56.2Low60.6Low105 Ų105129 Ų12949%0.49157%0.57SS.*Hα-helixtrans-67.8-26.6178.3-66163.2124.300112.8R1 R8R1-E4 WeakPolarHBondContact CA-OE2 3.43Å; R1-E4 PolarHBondContact N-OE2 3.21Å; E4-R8 PolarHBondContact O-N 2.77Å; E4-R8 PolarHBondContact O-NE 3.46Å
5W53.7Low60.6Low152 Ų152130.8 Ų130.858%0.57657%0.571SS**Hα-helixtrans-73.4-40.7173.7-170.986.4000111.1R1 M3 R9R1-W5 PolarHBondContact O-N 3.02Å; M3-W5 PolarHBondContact O-N 3.14Å; W5-R9 VanDerWaalsContact CH2-NH1 3.33Å; W5-R9 PolarHBondContact O-N 3.47Å; W5-R9 VanDerWaalsContact O-N 3.17Å
6N66.4Low60.7Low84 Ų84132.8 Ų132.845%0.44958%0.582SS.*Hα-helixtrans-65.3-40.7174.2-72.6-18.9000112.2R2 M3 R9 M10R2-N6 PolarHBondContact O-N 3.3Å; M3-N6 PolarHBondContact O-N 3.31Å; N6-R9 PolarHBondContact O-N 2.86Å; N6-M10 WeakPolarHBondContact O-CB 3.46Å; N6-M10 PolarHBondContact O-N 3.22Å
7L57.1Low61Low97 Ų97133.4 Ų133.451%0.50859%0.591SS.*Hα-helixtrans-61.6-47177.1-107.5114.9000112.2M3 R9 M10 E11M3-L7 PolarHBondContact O-N 3.22Å; L7-R9 VanDerWaalsContact C-N 3.3Å; L7-R9 PolarHBondContact O-N 2.93Å; L7-M10 PolarHBondContact O-N 2.95Å; L7-E11 WeakPolarHBondContact O-CG 3.22Å; L7-E11 PolarHBondContact O-N 2.9Å
8R66.5Low60.8Low161 Ų161129.8 Ų129.861%0.60858%0.579SS**Hα-helixtrans-63.8-36.1178.7-80.9-176.2-99.8-124.4-0.4112.8E4 S12E4-R8 PolarHBondContact O-N 2.77Å; E4-R8 PolarHBondContact O-NE 3.46Å; R8-S12 WeakPolarHBondContact O-CB 3.38Å; R8-S12 PolarHBondContact O-N 3.3Å
9R68.6Low60.7Low137 Ų137127.6 Ų127.652%0.51758%0.579SS.*Hα-helixtrans-67-43.4175.4-169.8175.7179.6154.62.5111.4W5 N6 L7 S12 E13W5-R9 VanDerWaalsContact CH2-NH1 3.33Å; W5-R9 PolarHBondContact O-N 3.47Å; W5-R9 VanDerWaalsContact O-N 3.17Å; N6-R9 PolarHBondContact O-N 2.86Å; L7-R9 VanDerWaalsContact C-N 3.3Å; L7-R9 PolarHBondContact O-N 2.93Å; R9-S12 WeakPolarHBondContact O-CB 3.25Å; R9-S12 PolarHBondContact O-N 2.68Å; R9-E13 IonicContact NE-OE1 3.72Å; R9-E13 WeakPolarHBondContact O-CG 3.26Å; R9-E13 PolarHBondContact O-N 3.36Å
10M61.8Low60.6Low120 Ų120126.1 Ų126.159%0.59158%0.575SS**Hα-helixtrans-67.3-39.9178.9-151.6164.272.500112.1N6 L7 S12 E13 L14N6-M10 WeakPolarHBondContact O-CB 3.46Å; N6-M10 PolarHBondContact O-N 3.22Å; L7-M10 PolarHBondContact O-N 2.95Å; M10-S12 VanDerWaalsContact C-N 3.34Å; M10-S12 PolarHBondContact O-N 3.23Å; M10-E13 PolarHBondContact O-N 3.09Å; M10-L14 WeakPolarHBondContact O-CB 3.24Å; M10-L14 VanDerWaalsContact O-CG 3.31Å; M10-L14 WeakPolarHBondContact O-CG 3.09Å; M10-L14 PolarHBondContact O-N 2.78Å
11E63.3Low60.4Low81 Ų81126.1 Ų126.138%0.37958%0.58SS.*Hα-helixtrans-62.4-39.5171.3-77.8178.4172.500112.2L7 R15L7-E11 WeakPolarHBondContact O-CG 3.22Å; L7-E11 PolarHBondContact O-N 2.9Å; E11-R15 WeakPolarHBondContact O-CG 3.48Å; E11-R15 PolarHBondContact O-N 3.24Å; E11-R15 VanDerWaalsContact O-N 3.14Å
12S67.3Low60.3Low60 Ų60117.6 Ų117.642%0.4255%0.553SS.*Hα-helixtrans-66.8-40.8177.1-171.70000111.9R8 R9 M10 R15 H16R8-S12 WeakPolarHBondContact O-CB 3.38Å; R8-S12 PolarHBondContact O-N 3.3Å; R9-S12 WeakPolarHBondContact O-CB 3.25Å; R9-S12 PolarHBondContact O-N 2.68Å; M10-S12 VanDerWaalsContact C-N 3.34Å; M10-S12 PolarHBondContact O-N 3.23Å; S12-R15 PolarHBondContact O-N 3.25Å; S12-H16 PolarHBondContact O-ND1 3.14Å
13E67.9Low60.8Low107 Ų107111.3 Ų111.350%0.553%0.533SS..Hα-helixtrans-67.8-39.6177.4-73.4179.1-171.600111.6R9 M10 R15 H16 I17R9-E13 IonicContact NE-OE1 3.72Å; R9-E13 WeakPolarHBondContact O-CG 3.26Å; R9-E13 PolarHBondContact O-N 3.36Å; M10-E13 PolarHBondContact O-N 3.09Å; E13-R15 PolarHBondContact O-N 3Å; E13-H16 PolarHBondContact O-N 3.41Å; E13-I17 WeakPolarHBondContact O-CG1 3.49Å; E13-I17 PolarHBondContact O-N 2.7Å
14L59.8Low60.6Low76 Ų76109.5 Ų109.540%0.39853%0.533SS..Hα-helixtrans-63.8-35.5175.4-74.4168000113.3M10 H16 I17 N18 L22M10-L14 WeakPolarHBondContact O-CB 3.24Å; M10-L14 VanDerWaalsContact O-CG 3.31Å; M10-L14 WeakPolarHBondContact O-CG 3.09Å; M10-L14 PolarHBondContact O-N 2.78Å; L14-H16 VanDerWaalsContact C-N 3.26Å; L14-H16 PolarHBondContact O-N 3.2Å; L14-I17 PolarHBondContact O-N 2.9Å; L14-N18 PolarHBondContact O-N 3.34Å; L14-N18 VanDerWaalsContact O-N 3.14Å; L14-L22 HydrophobicContact CB-CD1 4.01Å
15R60.7Low60.4Low156 Ų156109.9 Ų109.959%0.58955%0.547SS*.Hα-helixtrans-63.1-29.7175.8-75.3176.7-169.9-138.32.1113.6E11 S12 E13 L22E11-R15 WeakPolarHBondContact O-CG 3.48Å; E11-R15 PolarHBondContact O-N 3.24Å; E11-R15 VanDerWaalsContact O-N 3.14Å; S12-R15 PolarHBondContact O-N 3.25Å; E13-R15 PolarHBondContact O-N 3Å; R15-L22 HydrophobicContact CG-CD1 3.6Å
16H62.8Low60Low162 Ų162109.8 Ų109.875%0.7555%0.551SS**Hα-helixtrans-82.7-25.3-179.4-72.678.1000112.6S12 E13 L14S12-H16 PolarHBondContact O-ND1 3.14Å; E13-H16 PolarHBondContact O-N 3.41Å; L14-H16 VanDerWaalsContact C-N 3.26Å; L14-H16 PolarHBondContact O-N 3.2Å
17I65.3Low58.9Low144 Ų144110.8 Ų110.874%0.73856%0.564SS**Hα-helixtrans-88.1-39.6-177.4-61.8169.1000111.1E13 L14E13-I17 WeakPolarHBondContact O-CG1 3.49Å; E13-I17 PolarHBondContact O-N 2.7Å; L14-I17 PolarHBondContact O-N 2.9Å
18N56.7Low58.3Low69 Ų69116.2 Ų116.237%0.36958%0.584SS.*  trans-157104.4173.7-164.9-17.4000111.6L14 D20 L21L14-N18 PolarHBondContact O-N 3.34Å; L14-N18 VanDerWaalsContact O-N 3.14Å; N18-D20 PolarHBondContact O-N 2.79Å; N18-D20 VanDerWaalsContact O-N 3.08Å; N18-D20 PolarHBondContact OD1-N 3.47Å; N18-L21 HydrophobicContact CB-CD1 3.99Å; N18-L21 HydrophobicContact CB-CG 4.36Å; N18-L21 PolarHBondContact O-N 3.43Å
19P58.8Low57Low88 Ų88117.2 Ų117.257%0.57159%0.592SS**THydrogen-bonded Turntrans-67.5-9.8-175.326.2-32.9000114.2Q23P19-Q23 PolarHBondContact O-NE2 2.75Å
20D60.2Low56Low96 Ų96120 Ų12051%0.51361%0.608SS.*THydrogen-bonded Turntrans-85.3-16.6-180-76.2-20.1000114.1N18 Q23N18-D20 PolarHBondContact O-N 2.79Å; N18-D20 VanDerWaalsContact O-N 3.08Å; N18-D20 PolarHBondContact OD1-N 3.47Å; D20-Q23 PolarHBondContact OD1-NE2 3.45Å
21L54.8Low55.2Low128 Ų128118.1 Ų118.167%0.6761%0.605SS**THydrogen-bonded Turntrans-77.1-20.5-176.3-79.2169.4000114.5N18N18-L21 HydrophobicContact CB-CD1 3.99Å; N18-L21 HydrophobicContact CB-CG 4.36Å; N18-L21 PolarHBondContact O-N 3.43Å
22L57.2Low54.7Low75 Ų75120.1 Ų120.139%0.39363%0.628SS.*THydrogen-bonded Turntrans-107.85.3-179.1-73.7164000112.9L14 R15L14-L22 HydrophobicContact CB-CD1 4.01Å; R15-L22 HydrophobicContact CG-CD1 3.6Å
23Q59.6Low54.6Low85 Ų85119.8 Ų119.840%0.39763%0.626SS.*SBendtrans-70.5130.1171-73.5174.63200108.5P19 D20 S25 K26P19-Q23 PolarHBondContact O-NE2 2.75Å; D20-Q23 PolarHBondContact OD1-NE2 3.45Å; Q23-S25 PolarHBondContact O-N 3.06Å; Q23-K26 VanDerWaalsContact OE1-CE 3.22Å
24P47.6Very low55.4Low117 Ų117117.1 Ų117.176%0.7663%0.627SS**  trans-52.5129.2168.621.9-31.2000107.9K26P24-K26 PolarHBondContact O-N 3.34Å
25S51.9Low56.9Low113 Ų113116 Ų11679%0.7962%0.623SS**  trans-38.7113.7-176.953.70000109.6Q23 S27Q23-S25 PolarHBondContact O-N 3.06Å; S25-S27 PolarHBondContact O-N 3.09Å
26K45.3Very low58.4Low150 Ų150109.4 Ų109.465%0.65260%0.599SS**  trans-46.7111.9-177.7-71.4175.5-178.4168.30107.6Q23 P24 F28Q23-K26 VanDerWaalsContact OE1-CE 3.22Å; P24-K26 PolarHBondContact O-N 3.34Å; K26-F28 PolarHBondContact O-N 2.97Å
27S43.3Very low60Low104 Ų104103.5 Ų103.573%0.72758%0.575SS**  trans-32.4129.4167.651.30000109.6S25 K29S25-S27 PolarHBondContact O-N 3.09Å; S27-K29 PolarHBondContact O-N 2.92Å
28F44.8Very low61.4Low212 Ų21296.8 Ų96.893%0.9354%0.54SS*.  trans-32.3107.5172.8-85.7-97.6000109.6K26 K30K26-F28 PolarHBondContact O-N 2.97Å; F28-K30 PolarHBondContact O-N 3.23Å
29K39.3Very low63.3Low181 Ų18194.3 Ų94.379%0.78753%0.527SS*.  trans-52.5117.2170.4-75-178.3176.8178.90105.5S27 P31S27-K29 PolarHBondContact O-N 2.92Å; K29-P31 WeakPolarHBondContact O-CD 3.18Å
30K47.7Very low65.1Low196 Ų19690.1 Ų90.185%0.85250%0.5SS*.  trans-46.7115163.3-124.5-179.9-177.3178.80105.4F28 S32F28-K30 PolarHBondContact O-N 3.23Å; K30-S32 VanDerWaalsContact C-N 3.27Å; K30-S32 PolarHBondContact O-N 3.19Å
31P45.4Very low66.8Low80 Ų8087.1 Ų87.152%0.51949%0.492SS..  trans-72.197.3178.827.1-29.6000106.3K29 S33K29-P31 WeakPolarHBondContact O-CD 3.18Å; P31-S33 PolarHBondContact O-N 3.38Å; P31-S33 VanDerWaalsContact O-N 3.07Å
32S53.1Low68.7Low124 Ų12483.6 Ų83.687%0.86749%0.486SS*.  trans-69.420.9161.160.60000111.4K30 G34K30-S32 VanDerWaalsContact C-N 3.27Å; K30-S32 PolarHBondContact O-N 3.19Å; S32-G34 PolarHBondContact O-N 3.32Å
33S63.9Low70.7Confident53 Ų5384.7 Ų84.737%0.37149%0.488SS..  trans-75.7119.3168.161.70000107.3P31 T35 R49P31-S33 PolarHBondContact O-N 3.38Å; P31-S33 VanDerWaalsContact O-N 3.07Å; S33-T35 PolarHBondContact O-N 3Å; S33-T35 VanDerWaalsContact O-O 3.1Å; S33-T35 PolarHBondContact OG-O 3.43Å; S33-R49 PolarHBondContact O-NE 3.27Å
34G85.8Confident72.4Confident50 Ų5084.8 Ų84.852%0.51549%0.491SS..SBendtrans-59.5-2.8171.500000113.5S32 H48 R49S32-G34 PolarHBondContact O-N 3.32Å; G34-H48 CarbonylContact O-C 3.56Å; G34-H48 VanDerWaalsContact O-CA 3.29Å; G34-H48 WeakPolarHBondContact O-CA 3.33Å; G34-R49 PolarHBondContact O-N 3.47Å
35T91.9Very high74.8Confident52 Ų5281.1 Ų81.132%0.31946%0.462SS..EExtended strand (participates in β ladder)trans-116.1156.2176.255.30000112.3S33 A47S33-T35 PolarHBondContact O-N 3Å; S33-T35 VanDerWaalsContact O-O 3.1Å; S33-T35 PolarHBondContact OG-O 3.43Å; T35-A47 CarbonylContact C-O 3.51Å; T35-A47 WeakPolarHBondContact CA-O 3.34Å; T35-A47 WeakPolarHBondContact CB-O 3.29Å
36I92.1Very high76.9Confident18 Ų1879.4 Ų79.49%0.09245%0.447CS..EExtended strand (participates in β ladder)trans-138140.7174.9-177.5172.2000108.3L38 A47 R49 L52 P79I36-L38 HydrophobicContact CD1-CD2 4.06Å; I36-L38 HydrophobicContact CG1-CD2 4.13Å; I36-A47 PolarHBondContact N-O 3.45Å; I36-A47 PolarHBondContact O-N 3.07Å; I36-R49 HydrophobicContact CB-CG 4.35Å; I36-R49 HydrophobicContact CG2-CG 4.14Å; I36-L52 HydrophobicContact CG2-CD1 3.4Å; I36-L52 VanDerWaalsContact CG2-CD1 3.4Å; I36-P79 HydrophobicContact CD1-CG 4.41Å
37T95.1Very high79.3Confident38 Ų3872.7 Ų72.723%0.23342%0.419CS..EExtended strand (participates in β ladder)trans-104.2132.1174.1-58.10000108.7L44 Y45 T46 N78 P79T37-L44 HydrophobicContact CG2-CD2 4.33Å; T37-Y45 CarbonylContact C-O 3.58Å; T37-Y45 WeakPolarHBondContact CA-O 3.44Å; T37-T46 PolarHBondContact OG1-OG1 3.45Å; T37-T46 VanDerWaalsContact OG1-OG1 3.08Å; T37-N78 WeakPolarHBondContact CB-OD1 3.38Å; T37-P79 WeakPolarHBondContact O-CD 3.43Å
38L95.3Very high81.8Confident3 Ų372.7 Ų72.72%0.01641%0.407CS..EExtended strand (participates in β ladder)trans-115.7140.5178.5-55.9179.2000109I36 V40 L44 Y45 L52 L60 L63 P79 I81 F88I36-L38 HydrophobicContact CD1-CD2 4.06Å; I36-L38 HydrophobicContact CG1-CD2 4.13Å; L38-V40 HydrophobicContact CB-CG2 4.28Å; L38-L44 CarbonylContact O-C 3.56Å; L38-L44 WeakPolarHBondContact O-CA 3.42Å; L38-Y45 PolarHBondContact N-O 3.48Å; L38-Y45 PolarHBondContact O-N 2.98Å; L38-L52 HydrophobicContact CD1-CD1 3.9Å; L38-L52 HydrophobicContact CD1-CD2 4.44Å; L38-L52 HydrophobicContact CG-CD1 4.49Å; L38-L60 HydrophobicContact CD1-CD2 4.17Å; L38-L63 HydrophobicContact CD1-CD2 4.4Å; L38-L63 HydrophobicContact CD2-CD2 3.51Å; L38-L63 HydrophobicContact CD2-CG 4.43Å; L38-P79 HydrophobicContact CD2-CB 4.06Å; L38-P79 HydrophobicContact CD2-CG 4.26Å; L38-I81 HydrophobicContact CD1-CD1 4.28Å; L38-F88 HydrophobicContact CD1-CE1 4.48Å; L38-F88 HydrophobicContact CD1-CZ 4.04Å
39N96.6Very high84.1Confident17 Ų1765.5 Ų65.59%0.09137%0.374CS..EExtended strand (participates in β ladder)trans-104.2108.3169.6-172.9-28.5000108.8G42 F43 L44 D74 N78 P79 F80 I81N39-G42 WeakPolarHBondContact OD1-CA 3.44Å; N39-G42 PolarHBondContact OD1-N 3.22Å; N39-F43 CarbonylContact C-O 3.53Å; N39-F43 WeakPolarHBondContact CA-O 3.38Å; N39-L44 HydrophobicContact CB-CD2 3.73Å; N39-D74 HydrophobicContact CB-CB 4.37Å; N39-D74 WeakPolarHBondContact ND2-CB 3.3Å; N39-D74 PolarHBondContact ND2-OD2 2.98Å; N39-N78 HydrophobicContact CB-CB 4.47Å; N39-P79 PolarHBondContact N-O 3.29Å; N39-F80 HydrophobicContact CB-CD2 4.05Å; N39-F80 CarbonylContact O-C 3.59Å; N39-F80 VanDerWaalsContact O-CA 3.31Å; N39-F80 WeakPolarHBondContact O-CA 3.32Å; N39-F80 WeakPolarHBondContact O-CD2 3.48Å; N39-I81 PolarHBondContact O-N 3.44Å
40V97.2Very high86.7Confident0 Ų061.9 Ų61.90%037%0.368CS..EExtended strand (participates in β ladder)trans-109.5103.6-177.4-170.80000109L38 G42 F43 Y45 I81 R83 G85 F88L38-V40 HydrophobicContact CB-CG2 4.28Å; V40-G42 PolarHBondContact O-N 2.79Å; V40-G42 VanDerWaalsContact O-N 3.13Å; V40-F43 PolarHBondContact N-O 3.32Å; V40-F43 WeakPolarHBondContact O-CB 3.46Å; V40-F43 PolarHBondContact O-N 3.05Å; V40-Y45 HydrophobicContact CB-CD2 4.36Å; V40-Y45 HydrophobicContact CG2-CD2 4.16Å; V40-I81 CarbonylContact C-O 3.43Å; V40-I81 WeakPolarHBondContact CA-O 3.43Å; V40-I81 HydrophobicContact CG1-CB 4.4Å; V40-I81 HydrophobicContact CG1-CG2 4.36Å; V40-I81 HydrophobicContact CG2-CB 4.3Å; V40-I81 HydrophobicContact CG2-CD1 4.22Å; V40-R83 HydrophobicContact CG1-CB 4.06Å; V40-G85 VanDerWaalsContact O-CA 3.31Å; V40-G85 WeakPolarHBondContact O-CA 3.49Å; V40-F88 HydrophobicContact CB-CB 4.48Å; V40-F88 HydrophobicContact CB-CD1 4.48Å; V40-F88 HydrophobicContact CB-CG 4.39Å; V40-F88 HydrophobicContact CG1-CB 4.02Å; V40-F88 HydrophobicContact CG1-CD2 4.43Å; V40-F88 HydrophobicContact CG1-CG 4.15Å; V40-F88 HydrophobicContact CG2-CD1 3.83Å; V40-F88 HydrophobicContact CG2-CD2 4.33Å; V40-F88 HydrophobicContact CG2-CE1 4Å; V40-F88 HydrophobicContact CG2-CE2 4.49Å; V40-F88 HydrophobicContact CG2-CG 4Å; V40-F88 HydrophobicContact CG2-CZ 4.33Å
41G95.6Very high88.9Confident34 Ų3453.4 Ų53.435%0.35133%0.332SS..THydrogen-bonded Turntrans57.428.2-179.100000114.2I81 R83G41-I81 PolarHBondContact N-O 3Å; G41-R83 VanDerWaalsContact CA-O 3.26Å; G41-R83 WeakPolarHBondContact CA-O 3.32Å; G41-R83 PolarHBondContact N-O 3.29Å
42G94.8Very high91.3Very high53 Ų5349.6 Ų49.655%0.54631%0.307SS..THydrogen-bonded Turntrans98-8.5-175.100000114.8N39 V40N39-G42 WeakPolarHBondContact OD1-CA 3.44Å; N39-G42 PolarHBondContact OD1-N 3.22Å; V40-G42 PolarHBondContact O-N 2.79Å; V40-G42 VanDerWaalsContact O-N 3.13Å
43F97.6Very high93.2Very high98 Ų9844.8 Ų44.843%0.4327%0.274SS..EExtended strand (participates in β ladder)trans-96.6125.3-180-67.1-102.4000111.2N39 V40 Y45 P86N39-F43 CarbonylContact C-O 3.53Å; N39-F43 WeakPolarHBondContact CA-O 3.38Å; V40-F43 PolarHBondContact N-O 3.32Å; V40-F43 WeakPolarHBondContact O-CB 3.46Å; V40-F43 PolarHBondContact O-N 3.05Å; F43-Y45 HydrophobicContact CB-CD2 4.23Å; F43-Y45 HydrophobicContact CB-CE2 3.55Å; F43-Y45 WeakPolarHBondContact O-CD2 3.49Å; F43-P86 HydrophobicContact CE1-CG 4.12Å; F43-P86 HydrophobicContact CE2-CG 3.98Å; F43-P86 HydrophobicContact CZ-CG 3.69Å
44L97Very high94.4Very high88 Ų8847.4 Ų47.446%0.46128%0.278SS..EExtended strand (participates in β ladder)trans-88.4122.9-179.1-63.7171.4000111.4T37 L38 N39 M76T37-L44 HydrophobicContact CG2-CD2 4.33Å; L38-L44 CarbonylContact O-C 3.56Å; L38-L44 WeakPolarHBondContact O-CA 3.42Å; N39-L44 HydrophobicContact CB-CD2 3.73Å; L44-M76 HydrophobicContact CD1-CE 3.53Å; L44-M76 HydrophobicContact CD2-CE 4.35Å
45Y97.6Very high94.6Very high40 Ų4047 Ų4716%0.15726%0.263CS..EExtended strand (participates in β ladder)trans-121.3122.6176.1-70.9-86000110.5T37 L38 V40 F43 G85 F88 R89 L92T37-Y45 CarbonylContact C-O 3.58Å; T37-Y45 WeakPolarHBondContact CA-O 3.44Å; L38-Y45 PolarHBondContact N-O 3.48Å; L38-Y45 PolarHBondContact O-N 2.98Å; V40-Y45 HydrophobicContact CB-CD2 4.36Å; V40-Y45 HydrophobicContact CG2-CD2 4.16Å; F43-Y45 HydrophobicContact CB-CD2 4.23Å; F43-Y45 HydrophobicContact CB-CE2 3.55Å; F43-Y45 WeakPolarHBondContact O-CD2 3.49Å; Y45-G85 PolarHBondContact OH-O 3.01Å; Y45-F88 HydrophobicContact CD1-CD1 4.07Å; Y45-F88 HydrophobicContact CD1-CE1 4.42Å; Y45-F88 AromaticContact CD2-CD1 3.5Å; Y45-F88 HydrophobicContact CD2-CD1 3.5Å; Y45-F88 VanDerWaalsContact CD2-CD1 3.5Å; Y45-F88 HydrophobicContact CD2-CE1 4.04Å; Y45-F88 HydrophobicContact CE1-CD1 4.33Å; Y45-F88 HydrophobicContact CE2-CB 4.3Å; Y45-F88 AromaticContact CE2-CD1 3.78Å; Y45-F88 HydrophobicContact CE2-CD1 3.78Å; Y45-F88 HydrophobicContact CE2-CG 4.5Å; Y45-F88 AromaticContact CG-CD1 3.66Å; Y45-F88 HydrophobicContact CG-CD1 3.66Å; Y45-F88 AromaticContact CG-CE1 3.87Å; Y45-F88 HydrophobicContact CG-CE1 3.87Å; Y45-R89 HydrophobicContact CE1-CB 4.13Å; Y45-L92 HydrophobicContact CD1-CD2 3.87Å; Y45-L92 HydrophobicContact CG-CD2 4.41Å
46T96.1Very high94.5Very high77 Ų7751.7 Ų51.747%0.47229%0.285SS..EExtended strand (participates in β ladder)trans-103.8129.5172.8-53.50000109.9T37T37-T46 PolarHBondContact OG1-OG1 3.45Å; T37-T46 VanDerWaalsContact OG1-OG1 3.08Å
47A95.5Very high94.2Very high8 Ų852.6 Ų52.67%0.06630%0.299CS..EExtended strand (participates in β ladder)trans-143.3162.7179.500000111.7T35 I36 L52 L92T35-A47 CarbonylContact C-O 3.51Å; T35-A47 WeakPolarHBondContact CA-O 3.34Å; T35-A47 WeakPolarHBondContact CB-O 3.29Å; I36-A47 PolarHBondContact N-O 3.45Å; I36-A47 PolarHBondContact O-N 3.07Å; A47-L52 HydrophobicContact CB-CD2 4.32Å; A47-L52 HydrophobicContact CB-CG 4.35Å; A47-L92 HydrophobicContact CB-CD1 3.76Å; A47-L92 HydrophobicContact CB-CD2 4.39Å
48H95.2Very high94.2Very high104 Ų10450.8 Ų50.848%0.48129%0.288SS..EExtended strand (participates in β ladder)trans-70.9143.5168.9-70-80.6000110.5G34 T50 T51 L52G34-H48 CarbonylContact O-C 3.56Å; G34-H48 VanDerWaalsContact O-CA 3.29Å; G34-H48 WeakPolarHBondContact O-CA 3.33Å; H48-T50 WeakPolarHBondContact CB-OG1 3.47Å; H48-T50 PolarHBondContact O-N 2.99Å; H48-T51 WeakPolarHBondContact O-CB 3.46Å; H48-T51 PolarHBondContact O-N 2.89Å; H48-L52 PolarHBondContact O-N 2.91Å
49R93.1Very high94.1Very high62 Ų6252.1 Ų52.123%0.23429%0.294CS..Hα-helixtrans-58.3-38.6173.2-67-177.6-179.5-86.1-5.6111.1S33 G34 I36 T51 L52 S53 A64S33-R49 PolarHBondContact O-NE 3.27Å; G34-R49 PolarHBondContact O-N 3.47Å; I36-R49 HydrophobicContact CB-CG 4.35Å; I36-R49 HydrophobicContact CG2-CG 4.14Å; R49-T51 VanDerWaalsContact C-N 3.26Å; R49-T51 PolarHBondContact O-N 3.15Å; R49-L52 PolarHBondContact O-N 3.45Å; R49-S53 WeakPolarHBondContact O-CB 3.28Å; R49-S53 PolarHBondContact O-N 2.82Å; R49-S53 PolarHBondContact O-OG 2.96Å; R49-S53 VanDerWaalsContact O-OG 3.08Å; R49-A64 PolarHBondContact NH1-O 3.26Å
50T93.9Very high94Very high105 Ų10551.3 Ų51.364%0.64429%0.289SS*.Hα-helixtrans-60-34.3175.652.50000112.8H48 K54H48-T50 WeakPolarHBondContact CB-OG1 3.47Å; H48-T50 PolarHBondContact O-N 2.99Å; T50-K54 PolarHBondContact O-N 3.4Å
51T95.1Very high93.8Very high17 Ų1751.6 Ų51.610%0.10429%0.291CS..Hα-helixtrans-66.9-46.7175.1-55.10000111.4H48 R49 S53 K54 L92 L95 R96H48-T51 WeakPolarHBondContact O-CB 3.46Å; H48-T51 PolarHBondContact O-N 2.89Å; R49-T51 VanDerWaalsContact C-N 3.26Å; R49-T51 PolarHBondContact O-N 3.15Å; T51-S53 VanDerWaalsContact C-N 3.3Å; T51-S53 PolarHBondContact O-N 2.94Å; T51-K54 PolarHBondContact O-N 3.24Å; T51-L92 HydrophobicContact CG2-CD1 4.33Å; T51-L95 HydrophobicContact CG2-CB 3.86Å; T51-R96 HydrophobicContact CG2-CG 3.72Å
52L94.3Very high93.6Very high0 Ų052 Ų520%028%0.284CS..Hα-helixtrans-70-28.9-179.9-61.6-176.3000112.7I36 L38 A47 H48 R49 K54 L60 E61 A64 L92 L95I36-L52 HydrophobicContact CG2-CD1 3.4Å; I36-L52 VanDerWaalsContact CG2-CD1 3.4Å; L38-L52 HydrophobicContact CD1-CD1 3.9Å; L38-L52 HydrophobicContact CD1-CD2 4.44Å; L38-L52 HydrophobicContact CG-CD1 4.49Å; A47-L52 HydrophobicContact CB-CD2 4.32Å; A47-L52 HydrophobicContact CB-CG 4.35Å; H48-L52 PolarHBondContact O-N 2.91Å; R49-L52 PolarHBondContact O-N 3.45Å; L52-K54 VanDerWaalsContact C-N 3.35Å; L52-L60 HydrophobicContact CB-CB 4.31Å; L52-L60 HydrophobicContact CD2-CB 4.36Å; L52-L60 HydrophobicContact CD2-CD1 4.49Å; L52-E61 PolarHBondContact O-N 3.41Å; L52-A64 HydrophobicContact CB-CB 3.71Å; L52-A64 HydrophobicContact CD1-CB 4.14Å; L52-L92 HydrophobicContact CD2-CD1 3.96Å; L52-L95 HydrophobicContact CD2-CD1 4.07Å
53S92.6Very high93.3Very high23 Ų2350 Ų5016%0.16126%0.26CS..THydrogen-bonded Turntrans-88.78.1-179.7-56.90000114.5R49 T51 H55 N65R49-S53 WeakPolarHBondContact O-CB 3.28Å; R49-S53 PolarHBondContact O-N 2.82Å; R49-S53 PolarHBondContact O-OG 2.96Å; R49-S53 VanDerWaalsContact O-OG 3.08Å; T51-S53 VanDerWaalsContact C-N 3.3Å; T51-S53 PolarHBondContact O-N 2.94Å; S53-H55 PolarHBondContact O-N 3.06Å; S53-N65 PolarHBondContact OG-OD1 2.88Å
54K90.3Very high92.9Very high109 Ų10945.5 Ų45.547%0.47424%0.241SC..SBendtrans-62.3-38.6179.4-92.2174.1173.3-164.50113.5T50 T51 L52 L95 R96T50-K54 PolarHBondContact O-N 3.4Å; T51-K54 PolarHBondContact O-N 3.24Å; L52-K54 VanDerWaalsContact C-N 3.35Å; K54-L95 WeakPolarHBondContact CD-O 3.49Å; K54-L95 VanDerWaalsContact CE-O 3.27Å; K54-L95 WeakPolarHBondContact CE-O 3.28Å; K54-L95 PolarHBondContact NZ-O 2.86Å; K54-R96 PolarHBondContact NZ-O 3.15Å
55H90.1Very high92.4Very high40 Ų4045.3 Ų45.319%0.18524%0.24CC..SBendtrans-102.5107.6178-65.5-93.9000109.7S53 S58 E61 Y94 L95 L121 E123S53-H55 PolarHBondContact O-N 3.06Å; H55-S58 VanDerWaalsContact O-CB 3.29Å; H55-S58 WeakPolarHBondContact O-CB 3.37Å; H55-S58 PolarHBondContact O-N 3.33Å; H55-S58 PolarHBondContact O-OG 2.96Å; H55-E61 WeakPolarHBondContact O-CB 3.49Å; H55-Y94 AromaticContact NE2-CE1 3.78Å; H55-L95 WeakPolarHBondContact CD2-CD2 3.3Å; H55-L121 HydrophobicContact CB-CD2 3.79Å; H55-E123 IonicContact CE1-OE2 3.97Å; H55-E123 PolarHBondContact CE1-OE2 3.16Å; H55-E123 VanDerWaalsContact CE1-OE2 3.3Å; H55-E123 IonicContact ND1-OE2 3.6Å
56L88.9Confident91.5Very high152 Ų15246.1 Ų46.180%0.79626%0.261SS*.THydrogen-bonded Turntrans-63.5134.2179.5-63.5176.3000110.8S58L56-S58 PolarHBondContact O-N 3.11Å
57G86.8Confident90.4Very high37 Ų3749.6 Ų49.638%0.38127%0.27SS..THydrogen-bonded Turntrans79.7-0.9-178.900000114.6E61 R120G57-E61 PolarHBondContact N-OE2 3.2Å; G57-R120 PolarHBondContact O-NH2 3.42Å
58S93.8Very high89.3Confident0 Ų052.1 Ų52.10%028%0.279CS..SBendtrans-67.8156.6170.1700000111.1H55 L56 L60 E61 E62H55-S58 VanDerWaalsContact O-CB 3.29Å; H55-S58 WeakPolarHBondContact O-CB 3.37Å; H55-S58 PolarHBondContact O-N 3.33Å; H55-S58 PolarHBondContact O-OG 2.96Å; L56-S58 PolarHBondContact O-N 3.11Å; S58-L60 PolarHBondContact O-N 3.01Å; S58-E61 PolarHBondContact O-N 2.84Å; S58-E61 WeakPolarHBondContact OG-CB 3.35Å; S58-E61 PolarHBondContact OG-N 2.84Å; S58-E61 VanDerWaalsContact OG-N 3.13Å; S58-E62 PolarHBondContact O-N 2.93Å
59F93.7Very high87.9Confident30 Ų3051.2 Ų51.213%0.13229%0.29CS..Hα-helixtrans-55.6-39.2172.8179.2-82.5000112L63 K68 I81 F118 Y119F59-L63 HydrophobicContact CE1-CD2 4.15Å; F59-L63 WeakPolarHBondContact O-CB 3.43Å; F59-L63 PolarHBondContact O-N 3.48Å; F59-L63 VanDerWaalsContact O-N 3.11Å; F59-K68 HydrophobicContact CD2-CD 3.95Å; F59-K68 HydrophobicContact CE2-CD 3.68Å; F59-K68 VanDerWaalsContact CE2-CE 3.42Å; F59-K68 VanDerWaalsContact CE2-NZ 3.32Å; F59-K68 HydrophobicContact CZ-CD 4.2Å; F59-I81 HydrophobicContact CE1-CD1 3.95Å; F59-I81 HydrophobicContact CE1-CG1 4.23Å; F59-F118 HydrophobicContact CE2-CZ 4.35Å; F59-Y119 HydrophobicContact CB-CD1 4.36Å; F59-Y119 HydrophobicContact CD1-CD1 4.01Å; F59-Y119 HydrophobicContact CD1-CE1 4.36Å; F59-Y119 HydrophobicContact CG-CD1 4.4Å; F59-Y119 PolarHBondContact N-O 3.45Å
60L94.1Very high86.9Confident0 Ų051.1 Ų51.10%030%0.296CS..Hα-helixtrans-74.9-33.4-174.3-63.4170.3000112.2L38 L52 S58 L63 A64 I81 F88 V91 L95 Y119L38-L60 HydrophobicContact CD1-CD2 4.17Å; L52-L60 HydrophobicContact CB-CB 4.31Å; L52-L60 HydrophobicContact CD2-CB 4.36Å; L52-L60 HydrophobicContact CD2-CD1 4.49Å; S58-L60 PolarHBondContact O-N 3.01Å; L60-L63 PolarHBondContact O-N 3.12Å; L60-A64 VanDerWaalsContact O-CB 3.25Å; L60-A64 WeakPolarHBondContact O-CB 3.48Å; L60-A64 PolarHBondContact O-N 3.42Å; L60-I81 HydrophobicContact CD2-CD1 4.32Å; L60-F88 HydrophobicContact CD1-CE2 4.02Å; L60-F88 HydrophobicContact CD1-CZ 4.36Å; L60-F88 HydrophobicContact CD2-CE2 4.06Å; L60-F88 HydrophobicContact CD2-CZ 4.18Å; L60-V91 HydrophobicContact CD1-CG1 4.17Å; L60-L95 HydrophobicContact CD1-CD1 3.56Å; L60-Y119 HydrophobicContact CD1-CD1 4.06Å; L60-Y119 HydrophobicContact CD1-CG 4.17Å; L60-Y119 HydrophobicContact CD2-CD1 3.89Å; L60-Y119 HydrophobicContact CD2-CE1 4.03Å; L60-Y119 HydrophobicContact CG-CD1 3.83Å; L60-Y119 HydrophobicContact CG-CE1 4.46Å; L60-Y119 HydrophobicContact CG-CG 4.36Å
61E93.5Very high85.8Confident7 Ų753.8 Ų53.83%0.03330%0.301CS..Hα-helixtrans-64.3-47171.9179.5-89.7154.800111.4L52 H55 G57 S58 L63 A64 N65 K67L52-E61 PolarHBondContact O-N 3.41Å; H55-E61 WeakPolarHBondContact O-CB 3.49Å; G57-E61 PolarHBondContact N-OE2 3.2Å; S58-E61 PolarHBondContact O-N 2.84Å; S58-E61 WeakPolarHBondContact OG-CB 3.35Å; S58-E61 PolarHBondContact OG-N 2.84Å; S58-E61 VanDerWaalsContact OG-N 3.13Å; E61-L63 VanDerWaalsContact C-N 3.25Å; E61-L63 PolarHBondContact O-N 2.98Å; E61-A64 PolarHBondContact O-N 3.17Å; E61-N65 WeakPolarHBondContact O-CB 3.44Å; E61-N65 PolarHBondContact O-N 3.01Å; E61-N65 PolarHBondContact OE1-ND2 2.91Å; E61-K67 IonicContact OE1-NZ 3.16Å; E61-K67 PolarHBondContact OE1-NZ 2.94Å; E61-K67 IonicContact OE2-NZ 3.61Å
62E91.3Very high85.2Confident43 Ų4358.8 Ų58.820%0.20132%0.323CS..Hα-helixtrans-62.2-37.5178.9-65.3172.6-172.300111.5S58 G66 K67 K68 R120S58-E62 PolarHBondContact O-N 2.93Å; E62-G66 CarbonylContact O-C 3.57Å; E62-G66 PolarHBondContact O-N 2.81Å; E62-G66 VanDerWaalsContact O-N 3.09Å; E62-K67 HydrophobicContact CB-CB 4.24Å; E62-K67 PolarHBondContact O-N 2.75Å; E62-K68 HydrophobicContact CB-CB 3.79Å; E62-K68 PolarHBondContact O-N 3.06Å; E62-K68 VanDerWaalsContact O-N 3.12Å; E62-K68 IonicContact OE2-NZ 3.47Å; E62-R120 IonicContact OE1-CZ 3.25Å; E62-R120 IonicContact OE1-NH1 2.77Å; E62-R120 PolarHBondContact OE1-NH1 3.16Å; E62-R120 VanDerWaalsContact OE1-NH1 3.16Å; E62-R120 IonicContact OE1-NH2 3.09Å; E62-R120 PolarHBondContact OE1-NH2 2.88Å; E62-R120 IonicContact OE2-NH2 2.67Å; E62-R120 PolarHBondContact OE2-NH2 3.4Å
63L89.6Confident85Confident11 Ų1162.8 Ų62.86%0.05835%0.347CS..Hα-helixtrans-68-45.7176.2-166.971.2000111.6L38 F59 L60 E61 N65 G66 V70 P79 I81L38-L63 HydrophobicContact CD1-CD2 4.4Å; L38-L63 HydrophobicContact CD2-CD2 3.51Å; L38-L63 HydrophobicContact CD2-CG 4.43Å; F59-L63 HydrophobicContact CE1-CD2 4.15Å; F59-L63 WeakPolarHBondContact O-CB 3.43Å; F59-L63 PolarHBondContact O-N 3.48Å; F59-L63 VanDerWaalsContact O-N 3.11Å; L60-L63 PolarHBondContact O-N 3.12Å; E61-L63 VanDerWaalsContact C-N 3.25Å; E61-L63 PolarHBondContact O-N 2.98Å; L63-N65 VanDerWaalsContact C-N 3.3Å; L63-N65 PolarHBondContact O-N 2.75Å; L63-G66 PolarHBondContact O-N 2.74Å; L63-V70 HydrophobicContact CD1-CG2 3.73Å; L63-P79 HydrophobicContact CD1-CB 4.28Å; L63-P79 HydrophobicContact CD2-CB 4.31Å; L63-I81 HydrophobicContact CD2-CD1 3.9Å; L63-I81 HydrophobicContact CD2-CG1 4.49Å
64A88.5Confident84.8Confident2 Ų262.9 Ų62.92%0.01735%0.346CS..Hα-helixtrans-67.4-30.5179.400000112.8R49 L52 L60 E61R49-A64 PolarHBondContact NH1-O 3.26Å; L52-A64 HydrophobicContact CB-CB 3.71Å; L52-A64 HydrophobicContact CD1-CB 4.14Å; L60-A64 VanDerWaalsContact O-CB 3.25Å; L60-A64 WeakPolarHBondContact O-CB 3.48Å; L60-A64 PolarHBondContact O-N 3.42Å; E61-A64 PolarHBondContact O-N 3.17Å
65N85.6Confident84.7Confident84 Ų8463.8 Ų63.845%0.44937%0.366SS..THydrogen-bonded Turntrans-91.9-2.2177.8-70.1-19000113.2S53 E61 L63 K67S53-N65 PolarHBondContact OG-OD1 2.88Å; E61-N65 WeakPolarHBondContact O-CB 3.44Å; E61-N65 PolarHBondContact O-N 3.01Å; E61-N65 PolarHBondContact OE1-ND2 2.91Å; L63-N65 VanDerWaalsContact C-N 3.3Å; L63-N65 PolarHBondContact O-N 2.75Å; N65-K67 HydrophobicContact CB-CD 4.39Å; N65-K67 HydrophobicContact CB-CG 4.2Å; N65-K67 PolarHBondContact O-N 3.22Å
66G79.6Confident84.6Confident58 Ų5867.8 Ų67.860%0.59839%0.387SS*.THydrogen-bonded Turntrans68.116.5-178.800000114E62 L63 K68E62-G66 CarbonylContact O-C 3.57Å; E62-G66 PolarHBondContact O-N 2.81Å; E62-G66 VanDerWaalsContact O-N 3.09Å; L63-G66 PolarHBondContact O-N 2.74Å; G66-K68 VanDerWaalsContact C-N 3.31Å
67K72.6Confident84.5Confident149 Ų14962.8 Ų62.865%0.64837%0.372SS*.  trans-72.9-28.8174.3-66.3176.2-178.2165.60111.3E61 E62 N65E61-K67 IonicContact OE1-NZ 3.16Å; E61-K67 PolarHBondContact OE1-NZ 2.94Å; E61-K67 IonicContact OE2-NZ 3.61Å; E62-K67 HydrophobicContact CB-CB 4.24Å; E62-K67 PolarHBondContact O-N 2.75Å; N65-K67 HydrophobicContact CB-CD 4.39Å; N65-K67 HydrophobicContact CB-CG 4.2Å; N65-K67 PolarHBondContact O-N 3.22Å
68K73.4Confident84.7Confident62 Ų6262.4 Ų62.427%0.2736%0.361SS..SBendtrans-97127.5174.1-164.7165.8-158.3145.90110.2F59 E62 G66 V70F59-K68 HydrophobicContact CD2-CD 3.95Å; F59-K68 HydrophobicContact CE2-CD 3.68Å; F59-K68 VanDerWaalsContact CE2-CE 3.42Å; F59-K68 VanDerWaalsContact CE2-NZ 3.32Å; F59-K68 HydrophobicContact CZ-CD 4.2Å; E62-K68 HydrophobicContact CB-CB 3.79Å; E62-K68 PolarHBondContact O-N 3.06Å; E62-K68 VanDerWaalsContact O-N 3.12Å; E62-K68 IonicContact OE2-NZ 3.47Å; G66-K68 VanDerWaalsContact C-N 3.31Å; K68-V70 PolarHBondContact O-N 3.39Å
69A65.7Low84.7Confident85 Ų8563.2 Ų63.270%0.70237%0.366SS*.  trans-62.8120.9171.100000109.1Q71A69-Q71 PolarHBondContact O-N 3.01Å
70V71.7Confident84.7Confident59 Ų5965.2 Ų65.236%0.35838%0.375SS..  trans-66.5104.4170.2178.20000106.8L63 K68 H72 T73 P79L63-V70 HydrophobicContact CD1-CG2 3.73Å; K68-V70 PolarHBondContact O-N 3.39Å; V70-H72 VanDerWaalsContact C-N 3.31Å; V70-H72 WeakPolarHBondContact CG1-O 3.22Å; V70-H72 PolarHBondContact O-N 2.99Å; V70-T73 HydrophobicContact CG1-CG2 3.69Å; V70-P79 HydrophobicContact CG1-CB 3.72Å; V70-P79 HydrophobicContact CG1-CG 4.16Å; V70-P79 HydrophobicContact CG2-CB 4.01Å; V70-P79 HydrophobicContact CG2-CG 3.91Å
71Q70.6Confident84.7Confident162 Ų16265.5 Ų65.576%0.75738%0.376SS*.  trans-67.7-34.9-176.6-68.6-178.37.800111.8A69A69-Q71 PolarHBondContact O-N 3.01Å
72H83.2Confident84.8Confident122 Ų12271.6 Ų71.657%0.56541%0.409SS*.  trans-137.7138.5-177.5-60.1-63.7000110.3V70 F80V70-H72 VanDerWaalsContact C-N 3.31Å; V70-H72 WeakPolarHBondContact CG1-O 3.22Å; V70-H72 PolarHBondContact O-N 2.99Å; H72-F80 HydrophobicContact CB-CB 4.19Å; H72-F80 HydrophobicContact CB-CD1 4.25Å; H72-F80 WeakPolarHBondContact O-CB 3.17Å; H72-F80 PolarHBondContact O-N 3.22Å
73T89.4Confident85.1Confident83 Ų8373.1 Ų73.151%0.50941%0.413SS..BIsolated β-bridgetrans-118.4149.6169.5550000109.5V70 N78V70-T73 HydrophobicContact CG1-CG2 3.69Å; T73-N78 CarbonylContact C-O 3.58Å; T73-N78 WeakPolarHBondContact CA-O 3.27Å; T73-N78 WeakPolarHBondContact CB-O 3.42Å
74D89.4Confident85.5Confident25 Ų2575.2 Ų75.213%0.13442%0.424CS..  trans-72.2-180171.371.511.3000112.1N39 M76 G77 N78N39-D74 HydrophobicContact CB-CB 4.37Å; N39-D74 WeakPolarHBondContact ND2-CB 3.3Å; N39-D74 PolarHBondContact ND2-OD2 2.98Å; D74-M76 PolarHBondContact O-N 3.42Å; D74-M76 VanDerWaalsContact O-N 3.1Å; D74-M76 WeakPolarHBondContact OD1-CA 3.39Å; D74-M76 WeakPolarHBondContact OD1-CB 3.49Å; D74-M76 PolarHBondContact OD1-N 3.27Å; D74-G77 PolarHBondContact O-N 2.96Å; D74-G77 PolarHBondContact OD1-N 2.88Å; D74-N78 PolarHBondContact N-O 3.01Å; D74-N78 PolarHBondContact OD1-N 3.15Å; D74-N78 PolarHBondContact OD1-ND2 2.93Å; D74-N78 WeakPolarHBondContact OD2-CB 3.43Å; D74-N78 PolarHBondContact OD2-ND2 3.46Å
75S87.8Confident85.9Confident128 Ų12875.2 Ų75.290%0.89542%0.424SS*.THydrogen-bonded Turntrans-61.7-16.3178.654.40000114.1
76M87.1Confident86.4Confident125 Ų12574 Ų7462%0.61642%0.421SS*.THydrogen-bonded Turntrans-99.81.7177.3-65-172.8-74.800112.6L44 D74L44-M76 HydrophobicContact CD1-CE 3.53Å; L44-M76 HydrophobicContact CD2-CE 4.35Å; D74-M76 PolarHBondContact O-N 3.42Å; D74-M76 VanDerWaalsContact O-N 3.1Å; D74-M76 WeakPolarHBondContact OD1-CA 3.39Å; D74-M76 WeakPolarHBondContact OD1-CB 3.49Å; D74-M76 PolarHBondContact OD1-N 3.27Å
77G87.9Confident87.3Confident47 Ų4771.4 Ų71.449%0.48539%0.393SS..SBendtrans80.712.1-179.800000114.3D74D74-G77 PolarHBondContact O-N 2.96Å; D74-G77 PolarHBondContact OD1-N 2.88Å
78N90.8Very high88.5Confident29 Ų2964.3 Ų64.316%0.15536%0.363CS..PPolyproline II helixtrans-78.3140.1175.1-52.7-59.3000110T37 N39 T73 D74 F80T37-N78 WeakPolarHBondContact CB-OD1 3.38Å; N39-N78 HydrophobicContact CB-CB 4.47Å; T73-N78 CarbonylContact C-O 3.58Å; T73-N78 WeakPolarHBondContact CA-O 3.27Å; T73-N78 WeakPolarHBondContact CB-O 3.42Å; D74-N78 PolarHBondContact N-O 3.01Å; D74-N78 PolarHBondContact OD1-N 3.15Å; D74-N78 PolarHBondContact OD1-ND2 2.93Å; D74-N78 WeakPolarHBondContact OD2-CB 3.43Å; D74-N78 PolarHBondContact OD2-ND2 3.46Å; N78-F80 PolarHBondContact O-N 2.88Å
79P92.6Very high89.6Confident17 Ų1767.3 Ų67.311%0.1137%0.372CS..BIsolated β-bridgetrans-52.6125.2170.5-27.235000112.1I36 T37 L38 N39 L63 V70I36-P79 HydrophobicContact CD1-CG 4.41Å; T37-P79 WeakPolarHBondContact O-CD 3.43Å; L38-P79 HydrophobicContact CD2-CB 4.06Å; L38-P79 HydrophobicContact CD2-CG 4.26Å; N39-P79 PolarHBondContact N-O 3.29Å; L63-P79 HydrophobicContact CD1-CB 4.28Å; L63-P79 HydrophobicContact CD2-CB 4.31Å; V70-P79 HydrophobicContact CG1-CB 3.72Å; V70-P79 HydrophobicContact CG1-CG 4.16Å; V70-P79 HydrophobicContact CG2-CB 4.01Å; V70-P79 HydrophobicContact CG2-CG 3.91Å
80F94.4Very high91.2Very high71 Ų7163.9 Ų63.931%0.31134%0.342SS..EExtended strand (participates in β ladder)trans-96.1134.6178-178.7-105.5000110.9N39 H72 N78 D82N39-F80 HydrophobicContact CB-CD2 4.05Å; N39-F80 CarbonylContact O-C 3.59Å; N39-F80 VanDerWaalsContact O-CA 3.31Å; N39-F80 WeakPolarHBondContact O-CA 3.32Å; N39-F80 WeakPolarHBondContact O-CD2 3.48Å; H72-F80 HydrophobicContact CB-CB 4.19Å; H72-F80 HydrophobicContact CB-CD1 4.25Å; H72-F80 WeakPolarHBondContact O-CB 3.17Å; H72-F80 PolarHBondContact O-N 3.22Å; N78-F80 PolarHBondContact O-N 2.88Å; F80-D82 HydrophobicContact CE1-CB 3.79Å; F80-D82 HydrophobicContact CZ-CB 4.32Å
81I94.8Very high92.4Very high7 Ų761.1 Ų61.14%0.03633%0.325CS..EExtended strand (participates in β ladder)trans-125.3114.6177.7-58.8174.8000106.8L38 N39 V40 G41 F59 L60 L63 R83 F118 Y119L38-I81 HydrophobicContact CD1-CD1 4.28Å; N39-I81 PolarHBondContact O-N 3.44Å; V40-I81 CarbonylContact C-O 3.43Å; V40-I81 WeakPolarHBondContact CA-O 3.43Å; V40-I81 HydrophobicContact CG1-CB 4.4Å; V40-I81 HydrophobicContact CG1-CG2 4.36Å; V40-I81 HydrophobicContact CG2-CB 4.3Å; V40-I81 HydrophobicContact CG2-CD1 4.22Å; G41-I81 PolarHBondContact N-O 3Å; F59-I81 HydrophobicContact CE1-CD1 3.95Å; F59-I81 HydrophobicContact CE1-CG1 4.23Å; L60-I81 HydrophobicContact CD2-CD1 4.32Å; L63-I81 HydrophobicContact CD2-CD1 3.9Å; L63-I81 HydrophobicContact CD2-CG1 4.49Å; I81-R83 HydrophobicContact CG2-CB 3.87Å; I81-R83 HydrophobicContact CG2-CG 3.47Å; I81-R83 VanDerWaalsContact CG2-CG 3.47Å; I81-R83 PolarHBondContact O-N 3.41Å; I81-F118 HydrophobicContact CG2-CE1 4.2Å; I81-Y119 HydrophobicContact CD1-CE1 4.42Å; I81-Y119 HydrophobicContact CG2-CE1 4.18Å
82D95.3Very high93.7Very high135 Ų13553.5 Ų53.572%0.72229%0.289SS*.  trans-79.968.1-179.7-168.922.4000111.2F80F80-D82 HydrophobicContact CE1-CB 3.79Å; F80-D82 HydrophobicContact CZ-CB 4.32Å
83R96.6Very high94.4Very high75 Ų7550 Ų5028%0.28328%0.275SS..SBendtrans-140.7174-176.9-60.3-60.7-67.1169.4-2.7110.7V40 G41 I81 G85 E115 F118V40-R83 HydrophobicContact CG1-CB 4.06Å; G41-R83 VanDerWaalsContact CA-O 3.26Å; G41-R83 WeakPolarHBondContact CA-O 3.32Å; G41-R83 PolarHBondContact N-O 3.29Å; I81-R83 HydrophobicContact CG2-CB 3.87Å; I81-R83 HydrophobicContact CG2-CG 3.47Å; I81-R83 VanDerWaalsContact CG2-CG 3.47Å; I81-R83 PolarHBondContact O-N 3.41Å; R83-G85 PolarHBondContact O-N 2.83Å; R83-E115 IonicContact CZ-OE1 2.72Å; R83-E115 VanDerWaalsContact CZ-OE1 3.25Å; R83-E115 IonicContact CZ-OE2 3.85Å; R83-E115 VanDerWaalsContact CZ-OE2 3.31Å; R83-E115 IonicContact NE-OE1 3.31Å; R83-E115 PolarHBondContact NE-OE1 2.72Å; R83-E115 IonicContact NE-OE2 3.15Å; R83-E115 PolarHBondContact NE-OE2 2.97Å; R83-E115 IonicContact NH2-OE1 2.63Å; R83-E115 PolarHBondContact NH2-OE1 3.47Å; R83-E115 IonicContact NH2-OE2 3.79Å; R83-E115 PolarHBondContact NH2-OE2 3.14Å; R83-E115 VanDerWaalsContact NH2-OE2 3.09Å; R83-F118 HydrophobicContact CG-CD1 3.8Å; R83-F118 HydrophobicContact CG-CE1 3.48Å; R83-F118 VanDerWaalsContact CG-CE1 3.48Å; R83-F118 HydrophobicContact CG-CE2 4.34Å; R83-F118 HydrophobicContact CG-CG 4.38Å; R83-F118 HydrophobicContact CG-CZ 3.77Å
84D97.8Very high94.8Very high55 Ų5546.8 Ų46.829%0.29425%0.253SS..  trans-70.1110.1-178.3-168.2-81.9000112.1P86 V87 F88D84-P86 VanDerWaalsContact OD1-CD 3.25Å; D84-P86 WeakPolarHBondContact OD1-CD 3.47Å; D84-V87 HydrophobicContact CB-CB 4.29Å; D84-V87 VanDerWaalsContact OD1-CB 3.26Å; D84-V87 WeakPolarHBondContact OD1-CB 3.42Å; D84-V87 VanDerWaalsContact OD1-CG2 3.24Å; D84-V87 WeakPolarHBondContact OD1-CG2 3.39Å; D84-V87 PolarHBondContact OD1-N 2.99Å; D84-F88 WeakPolarHBondContact O-CB 3.39Å; D84-F88 PolarHBondContact O-N 3.36Å
85G97.3Very high95.1Very high1 Ų145.6 Ų45.61%0.0125%0.247CC..Hα-helixtrans-63.2-53.8178.800000113.6V40 Y45 R83 V87 F88V40-G85 VanDerWaalsContact O-CA 3.31Å; V40-G85 WeakPolarHBondContact O-CA 3.49Å; Y45-G85 PolarHBondContact OH-O 3.01Å; R83-G85 PolarHBondContact O-N 2.83Å; G85-V87 VanDerWaalsContact C-N 3.32Å; G85-V87 PolarHBondContact O-N 2.83Å; G85-F88 VanDerWaalsContact O-CB 3.25Å; G85-F88 WeakPolarHBondContact O-CB 3.31Å; G85-F88 PolarHBondContact O-N 3.33Å
86P97.3Very high95.5Very high60 Ų6045 Ų4539%0.3923%0.225SC..Hα-helixtrans-53.3-44.5-179-29.736.8000114.1F43 D84 R89F43-P86 HydrophobicContact CE1-CG 4.12Å; F43-P86 HydrophobicContact CE2-CG 3.98Å; F43-P86 HydrophobicContact CZ-CG 3.69Å; D84-P86 VanDerWaalsContact OD1-CD 3.25Å; D84-P86 WeakPolarHBondContact OD1-CD 3.47Å; P86-R89 WeakPolarHBondContact O-CB 3.18Å; P86-R89 PolarHBondContact O-N 2.8Å
87V97.2Very high95.9Very high2 Ų242.2 Ų42.21%0.01222%0.215CC..Hα-helixtrans-69.8-32.5178.5173.60000111.8D84 G85 R89 H90 L111 L112 E115D84-V87 HydrophobicContact CB-CB 4.29Å; D84-V87 VanDerWaalsContact OD1-CB 3.26Å; D84-V87 WeakPolarHBondContact OD1-CB 3.42Å; D84-V87 VanDerWaalsContact OD1-CG2 3.24Å; D84-V87 WeakPolarHBondContact OD1-CG2 3.39Å; D84-V87 PolarHBondContact OD1-N 2.99Å; G85-V87 VanDerWaalsContact C-N 3.32Å; G85-V87 PolarHBondContact O-N 2.83Å; V87-R89 PolarHBondContact O-N 2.79Å; V87-H90 WeakPolarHBondContact O-CB 3.41Å; V87-H90 PolarHBondContact O-N 3.12Å; V87-L111 HydrophobicContact CG2-CD2 3.66Å; V87-L111 HydrophobicContact CG2-CG 3.96Å; V87-L112 HydrophobicContact CG1-CB 3.94Å; V87-L112 HydrophobicContact CG1-CD1 3.72Å; V87-L112 HydrophobicContact CG1-CG 4.44Å; V87-E115 HydrophobicContact CB-CG 4.41Å; V87-E115 HydrophobicContact CG1-CB 4.23Å; V87-E115 HydrophobicContact CG1-CG 3.81Å
88F98.2Very high96.2Very high0 Ų042 Ų420%021%0.214CC..Hα-helixtrans-56.2-27.2177.6-175.4-103.4000113.5L38 V40 Y45 L60 D84 G85 H90 V91 L92 Y119L38-F88 HydrophobicContact CD1-CE1 4.48Å; L38-F88 HydrophobicContact CD1-CZ 4.04Å; V40-F88 HydrophobicContact CB-CB 4.48Å; V40-F88 HydrophobicContact CB-CD1 4.48Å; V40-F88 HydrophobicContact CB-CG 4.39Å; V40-F88 HydrophobicContact CG1-CB 4.02Å; V40-F88 HydrophobicContact CG1-CD2 4.43Å; V40-F88 HydrophobicContact CG1-CG 4.15Å; V40-F88 HydrophobicContact CG2-CD1 3.83Å; V40-F88 HydrophobicContact CG2-CD2 4.33Å; V40-F88 HydrophobicContact CG2-CE1 4Å; V40-F88 HydrophobicContact CG2-CE2 4.49Å; V40-F88 HydrophobicContact CG2-CG 4Å; V40-F88 HydrophobicContact CG2-CZ 4.33Å; Y45-F88 HydrophobicContact CD1-CD1 4.07Å; Y45-F88 HydrophobicContact CD1-CE1 4.42Å; Y45-F88 AromaticContact CD2-CD1 3.5Å; Y45-F88 HydrophobicContact CD2-CD1 3.5Å; Y45-F88 VanDerWaalsContact CD2-CD1 3.5Å; Y45-F88 HydrophobicContact CD2-CE1 4.04Å; Y45-F88 HydrophobicContact CE1-CD1 4.33Å; Y45-F88 HydrophobicContact CE2-CB 4.3Å; Y45-F88 AromaticContact CE2-CD1 3.78Å; Y45-F88 HydrophobicContact CE2-CD1 3.78Å; Y45-F88 HydrophobicContact CE2-CG 4.5Å; Y45-F88 AromaticContact CG-CD1 3.66Å; Y45-F88 HydrophobicContact CG-CD1 3.66Å; Y45-F88 AromaticContact CG-CE1 3.87Å; Y45-F88 HydrophobicContact CG-CE1 3.87Å; L60-F88 HydrophobicContact CD1-CE2 4.02Å; L60-F88 HydrophobicContact CD1-CZ 4.36Å; L60-F88 HydrophobicContact CD2-CE2 4.06Å; L60-F88 HydrophobicContact CD2-CZ 4.18Å; D84-F88 WeakPolarHBondContact O-CB 3.39Å; D84-F88 PolarHBondContact O-N 3.36Å; G85-F88 VanDerWaalsContact O-CB 3.25Å; G85-F88 WeakPolarHBondContact O-CB 3.31Å; G85-F88 PolarHBondContact O-N 3.33Å; F88-H90 PolarHBondContact O-N 3.34Å; F88-V91 HydrophobicContact CD2-CB 4.16Å; F88-V91 HydrophobicContact CD2-CG1 4.36Å; F88-V91 HydrophobicContact CE2-CB 4.48Å; F88-V91 HydrophobicContact CE2-CG1 4.25Å; F88-V91 WeakPolarHBondContact O-CB 3.46Å; F88-V91 PolarHBondContact O-N 2.86Å; F88-V91 VanDerWaalsContact O-N 3.15Å; F88-L92 HydrophobicContact CD1-CB 4.48Å; F88-L92 HydrophobicContact CE1-CB 4.16Å; F88-L92 HydrophobicContact CE1-CD2 4.38Å; F88-L92 PolarHBondContact O-N 3.18Å; F88-Y119 HydrophobicContact CD2-CE1 4.29Å; F88-Y119 AromaticContact CD2-CE2 3.64Å; F88-Y119 HydrophobicContact CD2-CE2 3.64Å; F88-Y119 AromaticContact CD2-CZ 3.5Å; F88-Y119 VanDerWaalsContact CD2-CZ 3.5Å; F88-Y119 VanDerWaalsContact CD2-OH 3.29Å; F88-Y119 WeakPolarHBondContact CD2-OH 3.34Å; F88-Y119 HydrophobicContact CE2-CE1 4.02Å; F88-Y119 HydrophobicContact CE2-CE2 4.03Å; F88-Y119 AromaticContact CE2-CZ 3.7Å
89R97.4Very high96.4Very high126 Ų12646.5 Ų46.548%0.47523%0.234SC..Hα-helixtrans-52-40.9172.2-179.7-177.859.3145.7-0.2112.3Y45 P86 V87 L92 N93Y45-R89 HydrophobicContact CE1-CB 4.13Å; P86-R89 WeakPolarHBondContact O-CB 3.18Å; P86-R89 PolarHBondContact O-N 2.8Å; V87-R89 PolarHBondContact O-N 2.79Å; R89-L92 PolarHBondContact O-N 3.31Å; R89-N93 WeakPolarHBondContact O-CB 3.19Å; R89-N93 VanDerWaalsContact O-CG 3.27Å; R89-N93 PolarHBondContact O-N 2.75Å
90H98.1Very high96.5Very high13 Ų1347.5 Ų47.56%0.0624%0.237CC..Hα-helixtrans-72.7-39.6-179.2-62.3-75.5000111.5V87 F88 L92 N93 Y94 L102 F106 L112V87-H90 WeakPolarHBondContact O-CB 3.41Å; V87-H90 PolarHBondContact O-N 3.12Å; F88-H90 PolarHBondContact O-N 3.34Å; H90-L92 VanDerWaalsContact C-N 3.34Å; H90-L92 PolarHBondContact O-N 3.07Å; H90-N93 PolarHBondContact O-N 2.73Å; H90-Y94 PolarHBondContact O-N 2.75Å; H90-L102 HydrophobicContact CB-CD2 4.31Å; H90-F106 AromaticContact CD2-CE2 3.95Å; H90-F106 AromaticContact NE2-CE2 3.62Å; H90-L112 HydrophobicContact CB-CD1 3.82Å; H90-L112 HydrophobicContact CB-CD2 3.97Å
91V98.1Very high96.5Very high0 Ų049.3 Ų49.30%025%0.247CC..Hα-helixtrans-57.2-48.8171.3178.20000110.5L60 F88 N93 Y94 L95 L112 E115 Y119 L121 L124L60-V91 HydrophobicContact CD1-CG1 4.17Å; F88-V91 HydrophobicContact CD2-CB 4.16Å; F88-V91 HydrophobicContact CD2-CG1 4.36Å; F88-V91 HydrophobicContact CE2-CB 4.48Å; F88-V91 HydrophobicContact CE2-CG1 4.25Å; F88-V91 WeakPolarHBondContact O-CB 3.46Å; F88-V91 PolarHBondContact O-N 2.86Å; F88-V91 VanDerWaalsContact O-N 3.15Å; V91-N93 PolarHBondContact O-N 2.89Å; V91-Y94 WeakPolarHBondContact O-CB 3.49Å; V91-Y94 PolarHBondContact O-N 3.34Å; V91-L95 WeakPolarHBondContact O-CG 3.38Å; V91-L95 PolarHBondContact O-N 3.33Å; V91-L112 HydrophobicContact CG2-CD1 3.8Å; V91-E115 HydrophobicContact CG2-CB 4.4Å; V91-Y119 HydrophobicContact CG1-CD2 3.93Å; V91-Y119 HydrophobicContact CG1-CE2 4.44Å; V91-Y119 HydrophobicContact CG1-CG 4.5Å; V91-Y119 HydrophobicContact CG2-CD2 4.13Å; V91-Y119 HydrophobicContact CG2-CE2 4.26Å; V91-L121 HydrophobicContact CG1-CD1 3.55Å; V91-L124 HydrophobicContact CB-CD2 4.48Å; V91-L124 HydrophobicContact CG1-CD2 4.4Å; V91-L124 HydrophobicContact CG2-CD2 4.22Å
92L97.6Very high96.5Very high2 Ų250.1 Ų50.11%0.0125%0.251CS..Hα-helixtrans-66.9-36.8-178.6-175.960.2000112.5Y45 A47 T51 L52 F88 R89 H90 L95 R96Y45-L92 HydrophobicContact CD1-CD2 3.87Å; Y45-L92 HydrophobicContact CG-CD2 4.41Å; A47-L92 HydrophobicContact CB-CD1 3.76Å; A47-L92 HydrophobicContact CB-CD2 4.39Å; T51-L92 HydrophobicContact CG2-CD1 4.33Å; L52-L92 HydrophobicContact CD2-CD1 3.96Å; F88-L92 HydrophobicContact CD1-CB 4.48Å; F88-L92 HydrophobicContact CE1-CB 4.16Å; F88-L92 HydrophobicContact CE1-CD2 4.38Å; F88-L92 PolarHBondContact O-N 3.18Å; R89-L92 PolarHBondContact O-N 3.31Å; H90-L92 VanDerWaalsContact C-N 3.34Å; H90-L92 PolarHBondContact O-N 3.07Å; L92-L95 PolarHBondContact O-N 3.1Å; L92-R96 WeakPolarHBondContact O-CG 3.21Å; L92-R96 PolarHBondContact O-N 3.44Å; L92-R96 VanDerWaalsContact O-N 3.09Å
93N97.4Very high96.3Very high48 Ų4846.4 Ų46.426%0.25723%0.234SC..Hα-helixtrans-66.5-41.7175.3-75.8-11.8000111.8R89 H90 V91 L95 R96 T97R89-N93 WeakPolarHBondContact O-CB 3.19Å; R89-N93 VanDerWaalsContact O-CG 3.27Å; R89-N93 PolarHBondContact O-N 2.75Å; H90-N93 PolarHBondContact O-N 2.73Å; V91-N93 PolarHBondContact O-N 2.89Å; N93-L95 VanDerWaalsContact C-N 3.3Å; N93-L95 PolarHBondContact O-N 3.32Å; N93-R96 WeakPolarHBondContact O-CA 3.48Å; N93-R96 WeakPolarHBondContact O-CB 3.25Å; N93-R96 PolarHBondContact O-N 2.83Å; N93-R96 PolarHBondContact OD1-NH1 3.47Å; N93-T97 PolarHBondContact O-N 3.47Å; N93-T97 PolarHBondContact O-OG1 2.93Å; N93-T97 VanDerWaalsContact O-OG1 3.09Å
94Y97.5Very high95.6Very high16 Ų1649 Ų496%0.06325%0.254CS..Hα-helixtrans-57.1-44.8172.6180-95.5000111.4H55 H90 V91 R96 T97 G98 E123 L124H55-Y94 AromaticContact NE2-CE1 3.78Å; H90-Y94 PolarHBondContact O-N 2.75Å; V91-Y94 WeakPolarHBondContact O-CB 3.49Å; V91-Y94 PolarHBondContact O-N 3.34Å; Y94-R96 PolarHBondContact O-N 3.18Å; Y94-T97 PolarHBondContact O-N 3.34Å; Y94-G98 VanDerWaalsContact O-CA 3.3Å; Y94-G98 WeakPolarHBondContact O-CA 3.47Å; Y94-G98 PolarHBondContact O-N 2.79Å; Y94-E123 VanDerWaalsContact OH-CB 3.28Å; Y94-E123 WeakPolarHBondContact OH-CB 3.17Å; Y94-L124 HydrophobicContact CD1-CB 3.93Å; Y94-L124 HydrophobicContact CD1-CD1 4.17Å; Y94-L124 HydrophobicContact CD1-CD2 4.13Å; Y94-L124 HydrophobicContact CD1-CG 4.29Å; Y94-L124 HydrophobicContact CD2-CD1 3.68Å; Y94-L124 HydrophobicContact CE1-CB 3.78Å; Y94-L124 HydrophobicContact CE2-CB 4.47Å; Y94-L124 HydrophobicContact CE2-CD1 4.11Å; Y94-L124 HydrophobicContact CG-CB 4.35Å; Y94-L124 HydrophobicContact CG-CD1 3.69Å; Y94-L124 HydrophobicContact CG-CD2 4.22Å; Y94-L124 HydrophobicContact CG-CG 4.3Å
95L96.2Very high94.8Very high0 Ų052.1 Ų52.10%027%0.271CS..Hα-helixtrans-61.8-28.9174.1-65.3175.6000112.6T51 L52 K54 H55 L60 V91 L92 N93 L121T51-L95 HydrophobicContact CG2-CB 3.86Å; L52-L95 HydrophobicContact CD2-CD1 4.07Å; K54-L95 WeakPolarHBondContact CD-O 3.49Å; K54-L95 VanDerWaalsContact CE-O 3.27Å; K54-L95 WeakPolarHBondContact CE-O 3.28Å; K54-L95 PolarHBondContact NZ-O 2.86Å; H55-L95 WeakPolarHBondContact CD2-CD2 3.3Å; L60-L95 HydrophobicContact CD1-CD1 3.56Å; V91-L95 WeakPolarHBondContact O-CG 3.38Å; V91-L95 PolarHBondContact O-N 3.33Å; L92-L95 PolarHBondContact O-N 3.1Å; N93-L95 VanDerWaalsContact C-N 3.3Å; N93-L95 PolarHBondContact O-N 3.32Å; L95-L121 HydrophobicContact CD2-CD1 4.31Å; L95-L121 HydrophobicContact CD2-CD2 4.01Å
96R95.9Very high94.6Very high115 Ų11553.2 Ų53.243%0.43428%0.275SS..Hα-helixtrans-75.1-47.4177.6-71.8170.1178.2146.5-4112.1T51 K54 L92 N93 Y94T51-R96 HydrophobicContact CG2-CG 3.72Å; K54-R96 PolarHBondContact NZ-O 3.15Å; L92-R96 WeakPolarHBondContact O-CG 3.21Å; L92-R96 PolarHBondContact O-N 3.44Å; L92-R96 VanDerWaalsContact O-N 3.09Å; N93-R96 WeakPolarHBondContact O-CA 3.48Å; N93-R96 WeakPolarHBondContact O-CB 3.25Å; N93-R96 PolarHBondContact O-N 2.83Å; N93-R96 PolarHBondContact OD1-NH1 3.47Å; Y94-R96 PolarHBondContact O-N 3.18Å
97T95.2Very high94.1Very high68 Ų6861.5 Ų61.542%0.41730%0.299SS..Hα-helixtrans-96.7-29.6-169.957.70000113.6N93 Y94 E99N93-T97 PolarHBondContact O-N 3.47Å; N93-T97 PolarHBondContact O-OG1 2.93Å; N93-T97 VanDerWaalsContact O-OG1 3.09Å; Y94-T97 PolarHBondContact O-N 3.34Å; T97-E99 VanDerWaalsContact C-N 3.25Å; T97-E99 PolarHBondContact OG1-N 3.21Å; T97-E99 VanDerWaalsContact OG1-N 3.11Å; T97-E99 PolarHBondContact OG1-O 2.87Å
98G93.7Very high94Very high43 Ų4366 Ų6644%0.44332%0.32SS..SBendtrans80.54.4-166.100000113.5Y94Y94-G98 VanDerWaalsContact O-CA 3.3Å; Y94-G98 WeakPolarHBondContact O-CA 3.47Å; Y94-G98 PolarHBondContact O-N 2.79Å
99E95.1Very high93.8Very high123 Ų12366.3 Ų66.358%0.57532%0.322SS*.SBendtrans-125.2141.2-173.9-66.8-179.6177.400111.4T97 Q101T97-E99 VanDerWaalsContact C-N 3.25Å; T97-E99 PolarHBondContact OG1-N 3.21Å; T97-E99 VanDerWaalsContact OG1-N 3.11Å; T97-E99 PolarHBondContact OG1-O 2.87Å; E99-Q101 HydrophobicContact CB-CG 4.49Å; E99-Q101 PolarHBondContact O-N 3.48Å
100L96.6Very high93.7Very high37 Ų3761.5 Ų61.519%0.19431%0.312CS..  trans-78.7108.7174.8-178.963.7000110.3L102 L112 L124 A127 V128 W131L100-L102 HydrophobicContact CD1-CD1 3.92Å; L100-L102 HydrophobicContact CD1-CD2 4.04Å; L100-L102 HydrophobicContact CD1-CG 3.81Å; L100-L102 HydrophobicContact CD2-CD1 3.96Å; L100-L102 HydrophobicContact CG-CD1 3.98Å; L100-L102 HydrophobicContact CG-CG 3.98Å; L100-L112 HydrophobicContact CD1-CD2 4.07Å; L100-L124 HydrophobicContact CD1-CD1 3.82Å; L100-A127 HydrophobicContact CB-CB 4.16Å; L100-A127 HydrophobicContact CD2-CB 4.16Å; L100-A127 WeakPolarHBondContact CD2-O 3.4Å; L100-V128 HydrophobicContact CD1-CG2 3.96Å; L100-V128 HydrophobicContact CD2-CB 4.3Å; L100-V128 HydrophobicContact CD2-CG2 3.74Å; L100-W131 HydrophobicContact CD2-CB 3.82Å; L100-W131 HydrophobicContact CD2-CG 4.2Å
101Q93.6Very high93.6Very high110 Ų11063.3 Ų63.351%0.51432%0.322SS..  trans-115.1107.2179.2-64.6-178.3-32.400110.4E99E99-Q101 HydrophobicContact CB-CG 4.49Å; E99-Q101 PolarHBondContact O-N 3.48Å
102L94.9Very high93.6Very high24 Ų2463.3 Ų63.313%0.12632%0.322CS..  trans-123.8144-178.2-60.8176.8000110.8H90 L100 F106 L112 W131H90-L102 HydrophobicContact CB-CD2 4.31Å; L100-L102 HydrophobicContact CD1-CD1 3.92Å; L100-L102 HydrophobicContact CD1-CD2 4.04Å; L100-L102 HydrophobicContact CD1-CG 3.81Å; L100-L102 HydrophobicContact CD2-CD1 3.96Å; L100-L102 HydrophobicContact CG-CD1 3.98Å; L100-L102 HydrophobicContact CG-CG 3.98Å; L102-F106 HydrophobicContact CB-CB 4.17Å; L102-F106 HydrophobicContact CB-CD1 4.27Å; L102-F106 HydrophobicContact CB-CG 4.24Å; L102-F106 HydrophobicContact CD1-CD1 3.71Å; L102-F106 HydrophobicContact CD1-CE1 3.98Å; L102-F106 HydrophobicContact CD1-CG 4.49Å; L102-F106 HydrophobicContact CD2-CD1 3.93Å; L102-F106 HydrophobicContact CD2-CD2 4.47Å; L102-F106 HydrophobicContact CD2-CE1 3.81Å; L102-F106 HydrophobicContact CD2-CE2 4.41Å; L102-F106 HydrophobicContact CD2-CG 4.24Å; L102-F106 HydrophobicContact CD2-CZ 4.08Å; L102-F106 HydrophobicContact CG-CD1 4.18Å; L102-F106 HydrophobicContact CG-CE1 4.44Å; L102-L112 HydrophobicContact CD1-CD2 4.24Å; L102-L112 HydrophobicContact CD2-CD2 3.67Å; L102-W131 HydrophobicContact CB-CZ2 3.81Å; L102-W131 HydrophobicContact CD1-CD2 3.78Å; L102-W131 HydrophobicContact CD1-CE3 4.13Å; L102-W131 HydrophobicContact CD1-CG 4.21Å; L102-W131 HydrophobicContact CD1-CH2 4.25Å; L102-W131 HydrophobicContact CD1-CZ2 3.86Å; L102-W131 HydrophobicContact CD1-CZ3 4.39Å
103P91.4Very high93.7Very high56 Ų5667.3 Ų67.336%0.36434%0.337SS..  trans-55.5153.1167.9-23.833.1000112.4D105 F106P103-D105 WeakPolarHBondContact CB-OD1 3.43Å; P103-D105 PolarHBondContact O-N 2.79Å; P103-F106 HydrophobicContact CB-CB 4.37Å; P103-F106 WeakPolarHBondContact O-CB 3.46Å; P103-F106 PolarHBondContact O-N 2.85Å; P103-F106 VanDerWaalsContact O-N 3.15Å
104D81.3Confident93.7Very high131 Ų13173.3 Ų73.370%0.70136%0.356SS*.THydrogen-bonded Turntrans-62.3-31.3178.4-80.5-40.8000113.8R135D104-R135 PolarHBondContact O-NH1 2.99Å; D104-R135 PolarHBondContact O-NH2 3.05Å; D104-R135 IonicContact OD1-CZ 2.74Å; D104-R135 IonicContact OD1-NH1 3.39Å; D104-R135 IonicContact OD1-NH2 2.98Å; D104-R135 PolarHBondContact OD1-NH2 3.33Å
105D82Confident93.7Very high120 Ų12072.9 Ų72.964%0.64235%0.354SS*.THydrogen-bonded Turntrans-96.714.3179.868.1-33.1000113P103 R107P103-D105 WeakPolarHBondContact CB-OD1 3.43Å; P103-D105 PolarHBondContact O-N 2.79Å; D105-R107 WeakPolarHBondContact O-CG 3.17Å; D105-R107 PolarHBondContact O-N 2.98Å; D105-R107 VanDerWaalsContact O-N 3.12Å
106F91.6Very high93.8Very high24 Ų2472.9 Ų72.911%0.10535%0.354CS..  trans-60.9115.5-176.8-172.1-108.9000111.9H90 L102 P103 E108 A109 L112 W131H90-F106 AromaticContact CD2-CE2 3.95Å; H90-F106 AromaticContact NE2-CE2 3.62Å; L102-F106 HydrophobicContact CB-CB 4.17Å; L102-F106 HydrophobicContact CB-CD1 4.27Å; L102-F106 HydrophobicContact CB-CG 4.24Å; L102-F106 HydrophobicContact CD1-CD1 3.71Å; L102-F106 HydrophobicContact CD1-CE1 3.98Å; L102-F106 HydrophobicContact CD1-CG 4.49Å; L102-F106 HydrophobicContact CD2-CD1 3.93Å; L102-F106 HydrophobicContact CD2-CD2 4.47Å; L102-F106 HydrophobicContact CD2-CE1 3.81Å; L102-F106 HydrophobicContact CD2-CE2 4.41Å; L102-F106 HydrophobicContact CD2-CG 4.24Å; L102-F106 HydrophobicContact CD2-CZ 4.08Å; L102-F106 HydrophobicContact CG-CD1 4.18Å; L102-F106 HydrophobicContact CG-CE1 4.44Å; P103-F106 HydrophobicContact CB-CB 4.37Å; P103-F106 WeakPolarHBondContact O-CB 3.46Å; P103-F106 PolarHBondContact O-N 2.85Å; P103-F106 VanDerWaalsContact O-N 3.15Å; F106-E108 VanDerWaalsContact CE1-C 3.43Å; F106-E108 HydrophobicContact CE1-CB 4.29Å; F106-E108 HydrophobicContact CE2-CB 4.11Å; F106-E108 HydrophobicContact CZ-CB 3.82Å; F106-A109 HydrophobicContact CD1-CB 4.25Å; F106-A109 HydrophobicContact CE1-CB 4.26Å; F106-A109 VanDerWaalsContact CE1-N 3.33Å; F106-L112 HydrophobicContact CE1-CB 4.24Å; F106-L112 HydrophobicContact CE1-CD2 4.07Å; F106-L112 HydrophobicContact CZ-CB 4.27Å; F106-L112 HydrophobicContact CZ-CD2 4.25Å; F106-W131 HydrophobicContact CB-CH2 3.92Å; F106-W131 HydrophobicContact CB-CZ2 4.15Å; F106-W131 HydrophobicContact CD1-CH2 4.11Å; F106-W131 WeakPolarHBondContact O-CH2 3.36Å
107R87.4Confident93.9Very high233 Ų23372.8 Ų72.888%0.87936%0.362SS*.  trans-100.2-7.5-174.5-53.1-165.6177.2-175.9-2.9114.1D105D105-R107 WeakPolarHBondContact O-CG 3.17Å; D105-R107 PolarHBondContact O-N 2.98Å; D105-R107 VanDerWaalsContact O-N 3.12Å
108E94.9Very high94Very high97 Ų9773.1 Ų73.145%0.45336%0.358SS..  trans-104.323.2-169.7-62.8177.7105.300112.6F106 G110 L111 L112F106-E108 VanDerWaalsContact CE1-C 3.43Å; F106-E108 HydrophobicContact CE1-CB 4.29Å; F106-E108 HydrophobicContact CE2-CB 4.11Å; F106-E108 HydrophobicContact CZ-CB 3.82Å; E108-G110 VanDerWaalsContact C-N 3.32Å; E108-G110 PolarHBondContact O-N 3.29Å; E108-L111 HydrophobicContact CB-CB 4.35Å; E108-L111 WeakPolarHBondContact O-CA 3.48Å; E108-L111 WeakPolarHBondContact O-CB 2.99Å; E108-L111 PolarHBondContact O-N 3.08Å; E108-L112 PolarHBondContact O-N 3.05Å
109A94.4Very high94.1Very high6 Ų671.1 Ų71.15%0.0534%0.337CS..Hα-helixtrans-55.6-43.9-179.700000113F106 L111 L112 R113 V128 W131 E132F106-A109 HydrophobicContact CD1-CB 4.25Å; F106-A109 HydrophobicContact CE1-CB 4.26Å; F106-A109 VanDerWaalsContact CE1-N 3.33Å; A109-L111 VanDerWaalsContact C-N 3.28Å; A109-L111 PolarHBondContact O-N 2.83Å; A109-L112 PolarHBondContact O-N 2.9Å; A109-R113 WeakPolarHBondContact O-CB 3.33Å; A109-R113 PolarHBondContact O-N 2.86Å; A109-V128 HydrophobicContact CB-CG1 4.29Å; A109-V128 WeakPolarHBondContact O-CG1 3.41Å; A109-W131 HydrophobicContact CB-CE3 4.06Å; A109-W131 HydrophobicContact CB-CZ3 3.65Å; A109-E132 HydrophobicContact CB-CG 3.65Å
110G94Very high94.2Very high26 Ų2670.7 Ų70.727%0.26833%0.331SS..Hα-helixtrans-63.2-31.7175.500000113.9E108 R114E108-G110 VanDerWaalsContact C-N 3.32Å; E108-G110 PolarHBondContact O-N 3.29Å; G110-R114 WeakPolarHBondContact O-CG 3.43Å; G110-R114 PolarHBondContact O-N 3.31Å
111L97.3Very high94.3Very high51 Ų5169 Ų6927%0.26732%0.322SS..Hα-helixtrans-74.1-46.4174.9178.557.6000110.5V87 E108 A109 R113 R114 E115V87-L111 HydrophobicContact CG2-CD2 3.66Å; V87-L111 HydrophobicContact CG2-CG 3.96Å; E108-L111 HydrophobicContact CB-CB 4.35Å; E108-L111 WeakPolarHBondContact O-CA 3.48Å; E108-L111 WeakPolarHBondContact O-CB 2.99Å; E108-L111 PolarHBondContact O-N 3.08Å; A109-L111 VanDerWaalsContact C-N 3.28Å; A109-L111 PolarHBondContact O-N 2.83Å; L111-R113 VanDerWaalsContact C-N 3.26Å; L111-R113 PolarHBondContact O-N 3.4Å; L111-R114 WeakPolarHBondContact O-CB 3.36Å; L111-R114 PolarHBondContact O-N 2.72Å; L111-E115 PolarHBondContact O-N 2.85Å
112L98.3Very high94.4Very high0 Ų066 Ų660%032%0.32CS..Hα-helixtrans-56.2-40.7174.817859.1000112.2V87 H90 V91 L100 L102 F106 E108 A109 R114 E115 A116 V128V87-L112 HydrophobicContact CG1-CB 3.94Å; V87-L112 HydrophobicContact CG1-CD1 3.72Å; V87-L112 HydrophobicContact CG1-CG 4.44Å; H90-L112 HydrophobicContact CB-CD1 3.82Å; H90-L112 HydrophobicContact CB-CD2 3.97Å; V91-L112 HydrophobicContact CG2-CD1 3.8Å; L100-L112 HydrophobicContact CD1-CD2 4.07Å; L102-L112 HydrophobicContact CD1-CD2 4.24Å; L102-L112 HydrophobicContact CD2-CD2 3.67Å; F106-L112 HydrophobicContact CE1-CB 4.24Å; F106-L112 HydrophobicContact CE1-CD2 4.07Å; F106-L112 HydrophobicContact CZ-CB 4.27Å; F106-L112 HydrophobicContact CZ-CD2 4.25Å; E108-L112 PolarHBondContact O-N 3.05Å; A109-L112 PolarHBondContact O-N 2.9Å; L112-R114 VanDerWaalsContact C-N 3.33Å; L112-R114 PolarHBondContact O-N 2.74Å; L112-E115 PolarHBondContact O-N 2.63Å; L112-A116 WeakPolarHBondContact O-CB 3.46Å; L112-A116 PolarHBondContact O-N 2.85Å; L112-V128 HydrophobicContact CD2-CG2 3.85Å; L112-V128 HydrophobicContact CG-CG2 3.99Å
113R98.1Very high94.5Very high85 Ų8570.5 Ų70.532%0.32134%0.34SS..Hα-helixtrans-60.1-41.6175.8-165.1175.469.3-1262.6112.2A109 L111 A116 D117 V125 V128 S129 E132A109-R113 WeakPolarHBondContact O-CB 3.33Å; A109-R113 PolarHBondContact O-N 2.86Å; L111-R113 VanDerWaalsContact C-N 3.26Å; L111-R113 PolarHBondContact O-N 3.4Å; R113-A116 PolarHBondContact O-N 3.07Å; R113-D117 PolarHBondContact O-N 3.15Å; R113-V125 HydrophobicContact CG-CG1 3.99Å; R113-V128 HydrophobicContact CB-CB 4.45Å; R113-V128 HydrophobicContact CB-CG1 3.89Å; R113-V128 HydrophobicContact CG-CG1 4.43Å; R113-S129 VanDerWaalsContact CD-OG 3.28Å; R113-S129 WeakPolarHBondContact CD-OG 3.28Å; R113-E132 IonicContact CZ-OE2 3.67Å; R113-E132 VanDerWaalsContact NH1-CD 3.28Å; R113-E132 IonicContact NH1-OE1 3.61Å; R113-E132 PolarHBondContact NH1-OE1 3.34Å; R113-E132 VanDerWaalsContact NH1-OE1 3.15Å; R113-E132 IonicContact NH1-OE2 3.72Å; R113-E132 PolarHBondContact NH1-OE2 3.24Å
114R98.1Very high94.8Very high174 Ų17467.8 Ų67.866%0.65732%0.323SS*.Hα-helixtrans-68-37176.4-68.9175-175.4176.81.8112.3G110 L111 L112 F118G110-R114 WeakPolarHBondContact O-CG 3.43Å; G110-R114 PolarHBondContact O-N 3.31Å; L111-R114 WeakPolarHBondContact O-CB 3.36Å; L111-R114 PolarHBondContact O-N 2.72Å; L112-R114 VanDerWaalsContact C-N 3.33Å; L112-R114 PolarHBondContact O-N 2.74Å; R114-F118 PolarHBondContact O-N 2.84Å
115E98.3Very high95.6Very high7 Ų763.2 Ų63.23%0.03330%0.3CS..Hα-helixtrans-66.4-44.3173.5-65.6-48.5132.800111.4R83 V87 V91 L111 L112 D117 F118 Y119R83-E115 IonicContact CZ-OE1 2.72Å; R83-E115 VanDerWaalsContact CZ-OE1 3.25Å; R83-E115 IonicContact CZ-OE2 3.85Å; R83-E115 VanDerWaalsContact CZ-OE2 3.31Å; R83-E115 IonicContact NE-OE1 3.31Å; R83-E115 PolarHBondContact NE-OE1 2.72Å; R83-E115 IonicContact NE-OE2 3.15Å; R83-E115 PolarHBondContact NE-OE2 2.97Å; R83-E115 IonicContact NH2-OE1 2.63Å; R83-E115 PolarHBondContact NH2-OE1 3.47Å; R83-E115 IonicContact NH2-OE2 3.79Å; R83-E115 PolarHBondContact NH2-OE2 3.14Å; R83-E115 VanDerWaalsContact NH2-OE2 3.09Å; V87-E115 HydrophobicContact CB-CG 4.41Å; V87-E115 HydrophobicContact CG1-CB 4.23Å; V87-E115 HydrophobicContact CG1-CG 3.81Å; V91-E115 HydrophobicContact CG2-CB 4.4Å; L111-E115 PolarHBondContact O-N 2.85Å; L112-E115 PolarHBondContact O-N 2.63Å; E115-D117 VanDerWaalsContact C-N 3.28Å; E115-D117 PolarHBondContact O-N 2.99Å; E115-F118 WeakPolarHBondContact O-CB 3.22Å; E115-F118 PolarHBondContact O-N 3.23Å; E115-F118 VanDerWaalsContact O-N 3.16Å; E115-Y119 HydrophobicContact CB-CD2 4.41Å; E115-Y119 HydrophobicContact CB-CE2 4.13Å; E115-Y119 WeakPolarHBondContact O-CD2 3.3Å; E115-Y119 PolarHBondContact O-N 2.91Å
116A97.9Very high96.3Very high0 Ų064.3 Ų64.30%030%0.301CS..Hα-helixtrans-57.3-41.9175.700000112.3L112 R113 Y119 R120 L121 L124 V125L112-A116 WeakPolarHBondContact O-CB 3.46Å; L112-A116 PolarHBondContact O-N 2.85Å; R113-A116 PolarHBondContact O-N 3.07Å; A116-Y119 PolarHBondContact O-N 3.32Å; A116-R120 PolarHBondContact O-N 3.01Å; A116-R120 VanDerWaalsContact O-N 3.15Å; A116-L121 PolarHBondContact O-N 2.94Å; A116-L124 HydrophobicContact CB-CB 4.08Å; A116-L124 HydrophobicContact CB-CD2 3.68Å; A116-L124 HydrophobicContact CB-CG 3.63Å; A116-V125 HydrophobicContact CB-CG2 3.68Å
117D97.9Very high96.5Very high113 Ų11364.4 Ų64.460%0.60431%0.306SS*.Hα-helixtrans-62.9-47174.4-173.356.1000111.9R113 E115 Y119 R120 V125R113-D117 PolarHBondContact O-N 3.15Å; E115-D117 VanDerWaalsContact C-N 3.28Å; E115-D117 PolarHBondContact O-N 2.99Å; D117-Y119 VanDerWaalsContact C-N 3.31Å; D117-Y119 PolarHBondContact O-N 3.41Å; D117-R120 WeakPolarHBondContact O-CA 3.42Å; D117-R120 PolarHBondContact O-N 3.25Å; D117-V125 HydrophobicContact CB-CG2 4.15Å
118F97.3Very high97Very high76 Ų7653.3 Ų53.333%0.33326%0.264SS..Hα-helixtrans-56.3-43.5175.3173.2-91000112.5F59 I81 R83 R114 E115 R120F59-F118 HydrophobicContact CE2-CZ 4.35Å; I81-F118 HydrophobicContact CG2-CE1 4.2Å; R83-F118 HydrophobicContact CG-CD1 3.8Å; R83-F118 HydrophobicContact CG-CE1 3.48Å; R83-F118 VanDerWaalsContact CG-CE1 3.48Å; R83-F118 HydrophobicContact CG-CE2 4.34Å; R83-F118 HydrophobicContact CG-CG 4.38Å; R83-F118 HydrophobicContact CG-CZ 3.77Å; R114-F118 PolarHBondContact O-N 2.84Å; E115-F118 WeakPolarHBondContact O-CB 3.22Å; E115-F118 PolarHBondContact O-N 3.23Å; E115-F118 VanDerWaalsContact O-N 3.16Å; F118-R120 PolarHBondContact O-N 3.4Å
119Y96.8Very high96.9Very high0 Ų050.5 Ų50.50%026%0.255CS..THydrogen-bonded Turntrans-76-3.5177.7-64.1-62.5000113.6F59 L60 I81 F88 V91 E115 A116 D117F59-Y119 HydrophobicContact CB-CD1 4.36Å; F59-Y119 HydrophobicContact CD1-CD1 4.01Å; F59-Y119 HydrophobicContact CD1-CE1 4.36Å; F59-Y119 HydrophobicContact CG-CD1 4.4Å; F59-Y119 PolarHBondContact N-O 3.45Å; L60-Y119 HydrophobicContact CD1-CD1 4.06Å; L60-Y119 HydrophobicContact CD1-CG 4.17Å; L60-Y119 HydrophobicContact CD2-CD1 3.89Å; L60-Y119 HydrophobicContact CD2-CE1 4.03Å; L60-Y119 HydrophobicContact CG-CD1 3.83Å; L60-Y119 HydrophobicContact CG-CE1 4.46Å; L60-Y119 HydrophobicContact CG-CG 4.36Å; I81-Y119 HydrophobicContact CD1-CE1 4.42Å; I81-Y119 HydrophobicContact CG2-CE1 4.18Å; F88-Y119 HydrophobicContact CD2-CE1 4.29Å; F88-Y119 AromaticContact CD2-CE2 3.64Å; F88-Y119 HydrophobicContact CD2-CE2 3.64Å; F88-Y119 AromaticContact CD2-CZ 3.5Å; F88-Y119 VanDerWaalsContact CD2-CZ 3.5Å; F88-Y119 VanDerWaalsContact CD2-OH 3.29Å; F88-Y119 WeakPolarHBondContact CD2-OH 3.34Å; F88-Y119 HydrophobicContact CE2-CE1 4.02Å; F88-Y119 HydrophobicContact CE2-CE2 4.03Å; F88-Y119 AromaticContact CE2-CZ 3.7Å; V91-Y119 HydrophobicContact CG1-CD2 3.93Å; V91-Y119 HydrophobicContact CG1-CE2 4.44Å; V91-Y119 HydrophobicContact CG1-CG 4.5Å; V91-Y119 HydrophobicContact CG2-CD2 4.13Å; V91-Y119 HydrophobicContact CG2-CE2 4.26Å; E115-Y119 HydrophobicContact CB-CD2 4.41Å; E115-Y119 HydrophobicContact CB-CE2 4.13Å; E115-Y119 WeakPolarHBondContact O-CD2 3.3Å; E115-Y119 PolarHBondContact O-N 2.91Å; A116-Y119 PolarHBondContact O-N 3.32Å; D117-Y119 VanDerWaalsContact C-N 3.31Å; D117-Y119 PolarHBondContact O-N 3.41Å
120R97.1Very high96.9Very high115 Ų11555.8 Ų55.843%0.43428%0.279SS..THydrogen-bonded Turntrans58.148.6-175.7-61.3177.3-68172.71.4112.4G57 E62 A116 D117 F118G57-R120 PolarHBondContact O-NH2 3.42Å; E62-R120 IonicContact OE1-CZ 3.25Å; E62-R120 IonicContact OE1-NH1 2.77Å; E62-R120 PolarHBondContact OE1-NH1 3.16Å; E62-R120 VanDerWaalsContact OE1-NH1 3.16Å; E62-R120 IonicContact OE1-NH2 3.09Å; E62-R120 PolarHBondContact OE1-NH2 2.88Å; E62-R120 IonicContact OE2-NH2 2.67Å; E62-R120 PolarHBondContact OE2-NH2 3.4Å; A116-R120 PolarHBondContact O-N 3.01Å; A116-R120 VanDerWaalsContact O-N 3.15Å; D117-R120 WeakPolarHBondContact O-CA 3.42Å; D117-R120 PolarHBondContact O-N 3.25Å; F118-R120 PolarHBondContact O-N 3.4Å
121L97.5Very high96.8Very high1 Ų156.5 Ų56.51%0.00527%0.274CS..  trans-106.477.9177.1-63.2172.1000109.5H55 V91 L95 A116 E123 L124 V125H55-L121 HydrophobicContact CB-CD2 3.79Å; V91-L121 HydrophobicContact CG1-CD1 3.55Å; L95-L121 HydrophobicContact CD2-CD1 4.31Å; L95-L121 HydrophobicContact CD2-CD2 4.01Å; A116-L121 PolarHBondContact O-N 2.94Å; L121-E123 PolarHBondContact O-N 3.1Å; L121-L124 HydrophobicContact CB-CB 3.89Å; L121-L124 HydrophobicContact CB-CD2 4.44Å; L121-L124 HydrophobicContact CD1-CD2 4.05Å; L121-L124 WeakPolarHBondContact O-CB 3.45Å; L121-L124 PolarHBondContact O-N 2.88Å; L121-L124 VanDerWaalsContact O-N 3.09Å; L121-V125 PolarHBondContact O-N 3.27Å
122G96.2Very high96.4Very high46 Ų4656.6 Ų56.647%0.47427%0.273SS..Hα-helixtrans-56.4-46.2-174.800000113.7L124 V125 E126G122-L124 PolarHBondContact O-N 3.4Å; G122-V125 WeakPolarHBondContact O-CB 3.29Å; G122-V125 PolarHBondContact O-N 3.48Å; G122-E126 PolarHBondContact O-N 3.23Å
123E96.2Very high95.7Very high119 Ų11961.9 Ų61.956%0.55630%0.301SS*.Hα-helixtrans-60.8-33.3177.8-63.8177.8-17800112.4H55 Y94 L121 A127H55-E123 IonicContact CE1-OE2 3.97Å; H55-E123 PolarHBondContact CE1-OE2 3.16Å; H55-E123 VanDerWaalsContact CE1-OE2 3.3Å; H55-E123 IonicContact ND1-OE2 3.6Å; Y94-E123 VanDerWaalsContact OH-CB 3.28Å; Y94-E123 WeakPolarHBondContact OH-CB 3.17Å; L121-E123 PolarHBondContact O-N 3.1Å; E123-A127 VanDerWaalsContact O-CB 3.32Å; E123-A127 WeakPolarHBondContact O-CB 2.96Å; E123-A127 PolarHBondContact O-N 2.99Å
124L97.6Very high95.1Very high0 Ų062.4 Ų62.40%031%0.307CS..Hα-helixtrans-73.1-37.8174.7177.857.5000111.7V91 Y94 L100 A116 L121 G122 E126 A127 V128V91-L124 HydrophobicContact CB-CD2 4.48Å; V91-L124 HydrophobicContact CG1-CD2 4.4Å; V91-L124 HydrophobicContact CG2-CD2 4.22Å; Y94-L124 HydrophobicContact CD1-CB 3.93Å; Y94-L124 HydrophobicContact CD1-CD1 4.17Å; Y94-L124 HydrophobicContact CD1-CD2 4.13Å; Y94-L124 HydrophobicContact CD1-CG 4.29Å; Y94-L124 HydrophobicContact CD2-CD1 3.68Å; Y94-L124 HydrophobicContact CE1-CB 3.78Å; Y94-L124 HydrophobicContact CE2-CB 4.47Å; Y94-L124 HydrophobicContact CE2-CD1 4.11Å; Y94-L124 HydrophobicContact CG-CB 4.35Å; Y94-L124 HydrophobicContact CG-CD1 3.69Å; Y94-L124 HydrophobicContact CG-CD2 4.22Å; Y94-L124 HydrophobicContact CG-CG 4.3Å; L100-L124 HydrophobicContact CD1-CD1 3.82Å; A116-L124 HydrophobicContact CB-CB 4.08Å; A116-L124 HydrophobicContact CB-CD2 3.68Å; A116-L124 HydrophobicContact CB-CG 3.63Å; L121-L124 HydrophobicContact CB-CB 3.89Å; L121-L124 HydrophobicContact CB-CD2 4.44Å; L121-L124 HydrophobicContact CD1-CD2 4.05Å; L121-L124 WeakPolarHBondContact O-CB 3.45Å; L121-L124 PolarHBondContact O-N 2.88Å; L121-L124 VanDerWaalsContact O-N 3.09Å; G122-L124 PolarHBondContact O-N 3.4Å; L124-E126 VanDerWaalsContact C-N 3.31Å; L124-A127 PolarHBondContact O-N 3.43Å; L124-V128 HydrophobicContact CD1-CG2 3.96Å; L124-V128 HydrophobicContact CG-CG2 4.45Å; L124-V128 VanDerWaalsContact O-CG2 3.26Å; L124-V128 WeakPolarHBondContact O-CG2 3.05Å; L124-V128 PolarHBondContact O-N 3.05Å
125V97.8Very high94.2Very high35 Ų3557.3 Ų57.321%0.21229%0.288CS..Hα-helixtrans-58.8-47.7174.1173.10000109.9R113 A116 D117 L121 G122 V128 S129R113-V125 HydrophobicContact CG-CG1 3.99Å; A116-V125 HydrophobicContact CB-CG2 3.68Å; D117-V125 HydrophobicContact CB-CG2 4.15Å; L121-V125 PolarHBondContact O-N 3.27Å; G122-V125 WeakPolarHBondContact O-CB 3.29Å; G122-V125 PolarHBondContact O-N 3.48Å; V125-V128 PolarHBondContact O-N 3.43Å; V125-S129 PolarHBondContact O-N 3.04Å; V125-S129 VanDerWaalsContact O-N 3.07Å; V125-S129 PolarHBondContact O-OG 3.3Å
126E97.1Very high92.8Very high142 Ų14259.7 Ų59.766%0.66431%0.309SS*.Hα-helixtrans-61.9-48177.6-70.1179.4-179.200111.6G122 L124 V128 S129 E130G122-E126 PolarHBondContact O-N 3.23Å; L124-E126 VanDerWaalsContact C-N 3.31Å; E126-V128 VanDerWaalsContact C-N 3.31Å; E126-V128 PolarHBondContact O-N 3.05Å; E126-S129 PolarHBondContact O-N 3.34Å; E126-S129 VanDerWaalsContact O-N 3.16Å; E126-E130 PolarHBondContact O-N 3.24Å
127A96.9Very high91.3Very high26 Ų2663.8 Ų63.822%0.21534%0.343CS..Hα-helixtrans-59.3-39.8178.800000112.7L100 E123 L124 E130 W131L100-A127 HydrophobicContact CB-CB 4.16Å; L100-A127 HydrophobicContact CD2-CB 4.16Å; L100-A127 WeakPolarHBondContact CD2-O 3.4Å; E123-A127 VanDerWaalsContact O-CB 3.32Å; E123-A127 WeakPolarHBondContact O-CB 2.96Å; E123-A127 PolarHBondContact O-N 2.99Å; L124-A127 PolarHBondContact O-N 3.43Å; A127-E130 PolarHBondContact O-N 3.33Å; A127-W131 WeakPolarHBondContact O-CB 3.17Å; A127-W131 PolarHBondContact O-N 3Å
128V97Very high89.7Confident0 Ų065.1 Ų65.10%035%0.345CS..Hα-helixtrans-68.3-41.7177.4174.80000111.1L100 A109 L112 R113 L124 V125 E126 W131 E132L100-V128 HydrophobicContact CD1-CG2 3.96Å; L100-V128 HydrophobicContact CD2-CB 4.3Å; L100-V128 HydrophobicContact CD2-CG2 3.74Å; A109-V128 HydrophobicContact CB-CG1 4.29Å; A109-V128 WeakPolarHBondContact O-CG1 3.41Å; L112-V128 HydrophobicContact CD2-CG2 3.85Å; L112-V128 HydrophobicContact CG-CG2 3.99Å; R113-V128 HydrophobicContact CB-CB 4.45Å; R113-V128 HydrophobicContact CB-CG1 3.89Å; R113-V128 HydrophobicContact CG-CG1 4.43Å; L124-V128 HydrophobicContact CD1-CG2 3.96Å; L124-V128 HydrophobicContact CG-CG2 4.45Å; L124-V128 VanDerWaalsContact O-CG2 3.26Å; L124-V128 WeakPolarHBondContact O-CG2 3.05Å; L124-V128 PolarHBondContact O-N 3.05Å; V125-V128 PolarHBondContact O-N 3.43Å; E126-V128 VanDerWaalsContact C-N 3.31Å; E126-V128 PolarHBondContact O-N 3.05Å; V128-W131 PolarHBondContact O-N 3.29Å; V128-E132 WeakPolarHBondContact O-CG 3.04Å; V128-E132 PolarHBondContact O-N 3.32Å
129S93.9Very high87.9Confident39 Ų3970.4 Ų70.427%0.27336%0.363SS..Hα-helixtrans-64-39.9175.6-750000112.6R113 V125 E126 E132 N133R113-S129 VanDerWaalsContact CD-OG 3.28Å; R113-S129 WeakPolarHBondContact CD-OG 3.28Å; V125-S129 PolarHBondContact O-N 3.04Å; V125-S129 VanDerWaalsContact O-N 3.07Å; V125-S129 PolarHBondContact O-OG 3.3Å; E126-S129 PolarHBondContact O-N 3.34Å; E126-S129 VanDerWaalsContact O-N 3.16Å; S129-E132 PolarHBondContact O-N 2.86Å; S129-N133 WeakPolarHBondContact O-CB 3.47Å; S129-N133 VanDerWaalsContact O-CG 3.23Å; S129-N133 PolarHBondContact O-N 2.9Å; S129-N133 PolarHBondContact O-ND2 2.86Å
130E93.3Very high85.9Confident117 Ų11777.7 Ų77.755%0.54740%0.397SS..Hα-helixtrans-64.1-44.8174.6-172.6175.5-17000111.3E126 A127 E132 N133 Q134E126-E130 PolarHBondContact O-N 3.24Å; A127-E130 PolarHBondContact O-N 3.33Å; E130-E132 VanDerWaalsContact C-N 3.33Å; E130-E132 PolarHBondContact O-N 3.09Å; E130-N133 PolarHBondContact O-N 3.47Å; E130-N133 VanDerWaalsContact O-N 3.16Å; E130-Q134 HydrophobicContact CG-CG 4.33Å; E130-Q134 WeakPolarHBondContact O-CG 3.39Å; E130-Q134 PolarHBondContact O-N 2.9Å; E130-Q134 PolarHBondContact OE1-NE2 3.18Å
131W92.9Very high83.9Confident41 Ų4176.4 Ų76.416%0.15540%0.403CS..Hα-helixtrans-59.1-42.1175.8-177.896.8000112.2L100 L102 F106 A109 A127 V128 Q134 R135L100-W131 HydrophobicContact CD2-CB 3.82Å; L100-W131 HydrophobicContact CD2-CG 4.2Å; L102-W131 HydrophobicContact CB-CZ2 3.81Å; L102-W131 HydrophobicContact CD1-CD2 3.78Å; L102-W131 HydrophobicContact CD1-CE3 4.13Å; L102-W131 HydrophobicContact CD1-CG 4.21Å; L102-W131 HydrophobicContact CD1-CH2 4.25Å; L102-W131 HydrophobicContact CD1-CZ2 3.86Å; L102-W131 HydrophobicContact CD1-CZ3 4.39Å; F106-W131 HydrophobicContact CB-CH2 3.92Å; F106-W131 HydrophobicContact CB-CZ2 4.15Å; F106-W131 HydrophobicContact CD1-CH2 4.11Å; F106-W131 WeakPolarHBondContact O-CH2 3.36Å; A109-W131 HydrophobicContact CB-CE3 4.06Å; A109-W131 HydrophobicContact CB-CZ3 3.65Å; A127-W131 WeakPolarHBondContact O-CB 3.17Å; A127-W131 PolarHBondContact O-N 3Å; V128-W131 PolarHBondContact O-N 3.29Å; W131-Q134 PolarHBondContact O-N 3.29Å; W131-R135 HydrophobicContact CD2-CG 4.31Å; W131-R135 HydrophobicContact CE3-CG 4.39Å; W131-R135 HydrophobicContact CH2-CG 4.49Å; W131-R135 VanDerWaalsContact CZ2-CD 3.46Å; W131-R135 HydrophobicContact CZ2-CG 4.46Å; W131-R135 HydrophobicContact CZ3-CG 4.43Å; W131-R135 WeakPolarHBondContact O-CG 3.41Å; W131-R135 PolarHBondContact O-N 2.83Å
132E88.2Confident82.2Confident52 Ų5276.8 Ų76.824%0.24341%0.407CS..Hα-helixtrans-62.1-43.4175.1-75.1175.5118.400111.7A109 R113 V128 S129 E130 R135 A136A109-E132 HydrophobicContact CB-CG 3.65Å; R113-E132 IonicContact CZ-OE2 3.67Å; R113-E132 VanDerWaalsContact NH1-CD 3.28Å; R113-E132 IonicContact NH1-OE1 3.61Å; R113-E132 PolarHBondContact NH1-OE1 3.34Å; R113-E132 VanDerWaalsContact NH1-OE1 3.15Å; R113-E132 IonicContact NH1-OE2 3.72Å; R113-E132 PolarHBondContact NH1-OE2 3.24Å; V128-E132 WeakPolarHBondContact O-CG 3.04Å; V128-E132 PolarHBondContact O-N 3.32Å; S129-E132 PolarHBondContact O-N 2.86Å; E130-E132 VanDerWaalsContact C-N 3.33Å; E130-E132 PolarHBondContact O-N 3.09Å; E132-R135 PolarHBondContact O-N 2.67Å; E132-A136 WeakPolarHBondContact O-CB 3.45Å; E132-A136 PolarHBondContact O-N 2.77Å
133N84.1Confident80.9Confident111 Ų11177.2 Ų77.259%0.59440%0.396SS*.Hα-helixtrans-66.5-42.7178.7-71.5-24.8000112S129 E130 A136 A137S129-N133 WeakPolarHBondContact O-CB 3.47Å; S129-N133 VanDerWaalsContact O-CG 3.23Å; S129-N133 PolarHBondContact O-N 2.9Å; S129-N133 PolarHBondContact O-ND2 2.86Å; E130-N133 PolarHBondContact O-N 3.47Å; E130-N133 VanDerWaalsContact O-N 3.16Å; N133-A136 PolarHBondContact O-N 2.9Å; N133-A137 WeakPolarHBondContact O-CB 3.48Å; N133-A137 PolarHBondContact O-N 3.12Å
134Q84.9Confident79.3Confident97 Ų9771.6 Ų71.645%0.45337%0.369SS..Hα-helixtrans-62.6-42.9175.9-71.1177.211.700111E130 W131 A136 A137 Q138E130-Q134 HydrophobicContact CG-CG 4.33Å; E130-Q134 WeakPolarHBondContact O-CG 3.39Å; E130-Q134 PolarHBondContact O-N 2.9Å; E130-Q134 PolarHBondContact OE1-NE2 3.18Å; W131-Q134 PolarHBondContact O-N 3.29Å; Q134-A136 VanDerWaalsContact C-N 3.33Å; Q134-A136 PolarHBondContact O-N 2.87Å; Q134-A137 PolarHBondContact O-N 3.35Å; Q134-Q138 WeakPolarHBondContact O-CB 3.38Å; Q134-Q138 VanDerWaalsContact O-CG 3.28Å; Q134-Q138 WeakPolarHBondContact O-CG 3.49Å; Q134-Q138 PolarHBondContact O-N 2.74Å
135R79.8Confident78Confident66 Ų6673.4 Ų73.425%0.24938%0.378CS..Hα-helixtrans-67.3-33.4174.5-70.9-157.7107.999.211.8113D104 W131 E132 R139D104-R135 PolarHBondContact O-NH1 2.99Å; D104-R135 PolarHBondContact O-NH2 3.05Å; D104-R135 IonicContact OD1-CZ 2.74Å; D104-R135 IonicContact OD1-NH1 3.39Å; D104-R135 IonicContact OD1-NH2 2.98Å; D104-R135 PolarHBondContact OD1-NH2 3.33Å; W131-R135 HydrophobicContact CD2-CG 4.31Å; W131-R135 HydrophobicContact CE3-CG 4.39Å; W131-R135 HydrophobicContact CH2-CG 4.49Å; W131-R135 VanDerWaalsContact CZ2-CD 3.46Å; W131-R135 HydrophobicContact CZ2-CG 4.46Å; W131-R135 HydrophobicContact CZ3-CG 4.43Å; W131-R135 WeakPolarHBondContact O-CG 3.41Å; W131-R135 PolarHBondContact O-N 2.83Å; E132-R135 PolarHBondContact O-N 2.67Å; R135-R139 WeakPolarHBondContact O-CG 3.43Å; R135-R139 PolarHBondContact O-N 3.26Å
136A69.4Low76.5Confident58 Ų5871.8 Ų71.848%0.47937%0.368SS..Hα-helixtrans-67.9-38.4173.200000111.7E132 N133 Q134 R139E132-A136 WeakPolarHBondContact O-CB 3.45Å; E132-A136 PolarHBondContact O-N 2.77Å; N133-A136 PolarHBondContact O-N 2.9Å; Q134-A136 VanDerWaalsContact C-N 3.33Å; Q134-A136 PolarHBondContact O-N 2.87Å; A136-R139 WeakPolarHBondContact O-CB 3.41Å; A136-R139 PolarHBondContact O-N 3.16Å
137A65.8Low75Confident85 Ų8565.2 Ų65.270%0.70234%0.338SS*.Hα-helixtrans-73.4-30.7177.300000113.2N133 Q134 R139N133-A137 WeakPolarHBondContact O-CB 3.48Å; N133-A137 PolarHBondContact O-N 3.12Å; Q134-A137 PolarHBondContact O-N 3.35Å; A137-R139 VanDerWaalsContact C-N 3.31Å
138Q63.4Low73.3Confident142 Ų14264.7 Ų64.766%0.66433%0.331SS*.Hα-helixtrans-75.9-16.9173.6-74.31754.200113.3Q134 E140Q134-Q138 WeakPolarHBondContact O-CB 3.38Å; Q134-Q138 VanDerWaalsContact O-CG 3.28Å; Q134-Q138 WeakPolarHBondContact O-CG 3.49Å; Q134-Q138 PolarHBondContact O-N 2.74Å; Q138-E140 PolarHBondContact O-N 2.98Å; Q138-E140 VanDerWaalsContact O-N 3.1Å
139R59.3Low71.6Confident186 Ų18666.8 Ų66.870%0.70235%0.346SS*.SBendtrans-69.2108.8167.7-75.2171.9177.8-178.70.6106.9R135 A136 A137R135-R139 WeakPolarHBondContact O-CG 3.43Å; R135-R139 PolarHBondContact O-N 3.26Å; A136-R139 WeakPolarHBondContact O-CB 3.41Å; A136-R139 PolarHBondContact O-N 3.16Å; A137-R139 VanDerWaalsContact C-N 3.31Å
140E54.6Low69.9Low153 Ų15372.8 Ų72.872%0.71537%0.369SS*.  trans-49.7140.8167.9-70.9-162161.200109.1Q138 A142Q138-E140 PolarHBondContact O-N 2.98Å; Q138-E140 VanDerWaalsContact O-N 3.1Å; E140-A142 PolarHBondContact O-N 3.16Å
141P55.6Low68.3Low88 Ų8870.3 Ų70.357%0.57136%0.358SS*.  trans-52.3119.9175.421.8-31.9000107.9F143P141-F143 PolarHBondContact O-N 2.92Å
142A62.5Low66.6Low9 Ų976.9 Ų76.97%0.07438%0.383CS..EExtended strand (participates in β ladder)trans-69.6114.1-178.200000106.9E140 C160 A163 I166E140-A142 PolarHBondContact O-N 3.16Å; A142-C160 PolarHBondContact N-O 2.84Å; A142-C160 VanDerWaalsContact N-O 3.08Å; A142-C160 PolarHBondContact O-N 3.47Å; A142-A163 HydrophobicContact CB-CB 3.82Å; A142-I166 HydrophobicContact CB-CB 4.14Å; A142-I166 HydrophobicContact CB-CG1 3.49Å; A142-I166 VanDerWaalsContact CB-CG1 3.49Å; A142-I166 WeakPolarHBondContact O-CG1 3.28Å
143F68.3Low64.9Low56 Ų5678.5 Ų78.525%0.24640%0.4CS..EExtended strand (participates in β ladder)trans-115.3148174.775.3-86.2000109.8P141 E145 V158 Y159 N193P141-F143 PolarHBondContact O-N 2.92Å; F143-E145 HydrophobicContact CD2-CB 4.33Å; F143-E145 HydrophobicContact CE2-CB 4.29Å; F143-V158 CarbonylContact C-O 3.48Å; F143-V158 WeakPolarHBondContact CA-O 3.26Å; F143-Y159 HydrophobicContact CB-CD1 3.63Å; F143-Y159 HydrophobicContact CB-CE1 3.88Å; F143-Y159 HydrophobicContact CB-CG 4.31Å; F143-Y159 HydrophobicContact CG-CE1 4.39Å; F143-N193 HydrophobicContact CD1-CB 4.42Å; F143-N193 HydrophobicContact CD2-CB 4.28Å; F143-N193 HydrophobicContact CE1-CB 4.12Å; F143-N193 WeakPolarHBondContact CE1-ND2 3.41Å; F143-N193 HydrophobicContact CE2-CB 3.97Å; F143-N193 HydrophobicContact CG-CB 4.5Å; F143-N193 HydrophobicContact CZ-CB 3.88Å; F143-N193 WeakPolarHBondContact O-CA 3.41Å; F143-N193 WeakPolarHBondContact O-CB 3.35Å
144L64Low63.7Low0 Ų077.7 Ų77.70%039%0.392CS..EExtended strand (participates in β ladder)trans-117.9120.5168.1167.964.5000107.7V146 K157 V158 I166 V169 K170 L173 N193 I195L144-V146 HydrophobicContact CD2-CG2 4.41Å; L144-V146 HydrophobicContact CG-CG2 4.25Å; L144-K157 CarbonylContact O-C 3.54Å; L144-V158 HydrophobicContact CB-CB 4.14Å; L144-V158 PolarHBondContact N-O 2.99Å; L144-V158 PolarHBondContact O-N 3.49Å; L144-I166 HydrophobicContact CB-CD1 3.98Å; L144-I166 HydrophobicContact CB-CG2 4.01Å; L144-V169 HydrophobicContact CD2-CB 4.32Å; L144-V169 HydrophobicContact CD2-CG1 3.58Å; L144-K170 HydrophobicContact CD1-CD 4.18Å; L144-K170 HydrophobicContact CD1-CG 3.7Å; L144-K170 HydrophobicContact CD2-CG 4.07Å; L144-K170 HydrophobicContact CG-CG 4.43Å; L144-L173 HydrophobicContact CD2-CD1 3.78Å; L144-N193 CarbonylContact C-O 3.5Å; L144-N193 VanDerWaalsContact CA-O 3.28Å; L144-N193 WeakPolarHBondContact CA-O 3.45Å; L144-I195 HydrophobicContact CD1-CB 4.32Å; L144-I195 HydrophobicContact CD1-CD1 4Å; L144-I195 HydrophobicContact CD1-CG1 3.83Å; L144-I195 HydrophobicContact CD2-CD1 4.41Å
145E69.5Low62.7Low39 Ų3973.5 Ų73.518%0.18238%0.375CS..EExtended strand (participates in β ladder)trans-104.5126.5171.4-160.7179.1-161.900109.9F143 T147 L156 K157 N193 V194 I195F143-E145 HydrophobicContact CD2-CB 4.33Å; F143-E145 HydrophobicContact CE2-CB 4.29Å; E145-T147 HydrophobicContact CB-CG2 4.41Å; E145-T147 HydrophobicContact CG-CG2 3.42Å; E145-T147 VanDerWaalsContact CG-CG2 3.42Å; E145-L156 CarbonylContact C-O 3.5Å; E145-L156 WeakPolarHBondContact CA-O 3.44Å; E145-K157 HydrophobicContact CG-CG 3.8Å; E145-K157 WeakPolarHBondContact OE1-CE 3.5Å; E145-K157 IonicContact OE1-NZ 3.47Å; E145-N193 PolarHBondContact N-O 3.29Å; E145-V194 HydrophobicContact CB-CG1 4.49Å; E145-V194 HydrophobicContact CB-CG2 4.31Å; E145-V194 CarbonylContact O-C 3.54Å; E145-V194 VanDerWaalsContact O-CA 3.3Å; E145-V194 WeakPolarHBondContact O-CA 3.44Å; E145-V194 WeakPolarHBondContact O-CG1 3.4Å; E145-I195 PolarHBondContact O-N 2.97Å
146V66.2Low62.3Low1 Ų170.4 Ų70.41%0.00636%0.363CS..EExtended strand (participates in β ladder)trans-106.4100.7173-176.20000108.4L144 G155 L156 L173 I195 F197 L221 L224L144-V146 HydrophobicContact CD2-CG2 4.41Å; L144-V146 HydrophobicContact CG-CG2 4.25Å; V146-G155 CarbonylContact O-C 3.53Å; V146-G155 WeakPolarHBondContact O-CA 3.49Å; V146-L156 HydrophobicContact CB-CB 4.15Å; V146-L156 HydrophobicContact CG2-CD2 4.45Å; V146-L156 PolarHBondContact N-O 2.97Å; V146-L156 PolarHBondContact O-N 3.34Å; V146-L173 HydrophobicContact CG2-CD1 4.31Å; V146-I195 VanDerWaalsContact CA-O 3.22Å; V146-I195 WeakPolarHBondContact CA-O 3.39Å; V146-I195 HydrophobicContact CG2-CB 4.44Å; V146-F197 HydrophobicContact CG1-CD2 3.89Å; V146-F197 HydrophobicContact CG1-CE2 3.62Å; V146-L221 HydrophobicContact CG1-CD1 4.48Å; V146-L224 HydrophobicContact CG1-CD1 4.5Å
147T65.1Low62.6Low4 Ų470.7 Ų70.73%0.02535%0.354CS..EExtended strand (participates in β ladder)trans-114.4160.8-17255.20000114E145 I195 F197 F200E145-T147 HydrophobicContact CB-CG2 4.41Å; E145-T147 HydrophobicContact CG-CG2 3.42Å; E145-T147 VanDerWaalsContact CG-CG2 3.42Å; T147-I195 PolarHBondContact N-O 3.28Å; T147-F197 PolarHBondContact O-N 3.15Å; T147-F197 VanDerWaalsContact O-N 3.15Å; T147-F200 WeakPolarHBondContact O-CE2 3.38Å
148D62.3Low62.9Low15 Ų1566.6 Ų66.68%0.0832%0.32CS..EExtended strand (participates in β ladder)trans-85.3144.1165.2-174.6-11.3000110.5H150 F200 R208D148-H150 VanDerWaalsContact C-N 3.28Å; D148-H150 PolarHBondContact O-N 3.09Å; D148-H150 PolarHBondContact OD1-N 2.98Å; D148-F200 HydrophobicContact CB-CD2 3.65Å; D148-F200 HydrophobicContact CB-CE2 3.91Å; D148-F200 HydrophobicContact CB-CG 4.39Å; D148-R208 IonicContact OD2-NH1 3.91Å; D148-R208 PolarHBondContact OD2-NH1 2.88Å
149S59.6Low63.5Low44 Ų4463.6 Ų63.631%0.30830%0.303SS..SBendtrans-64.4-30.5173.567.10000113.2F197 R198S149-F197 PolarHBondContact N-O 3.03Å; S149-R198 PolarHBondContact OG-O 3.41Å
150H58.5Low64.1Low165 Ų16554.9 Ų54.976%0.76427%0.271SS*.SBendtrans-95.7-20.1-175.7-67.6-72.9000114D148D148-H150 VanDerWaalsContact C-N 3.28Å; D148-H150 PolarHBondContact O-N 3.09Å; D148-H150 PolarHBondContact OD1-N 2.98Å
151E61.2Low64.8Low65 Ų6551.7 Ų51.730%0.30427%0.265SS..  trans-149.189.9-177.7-162.5171-144.900112.2S153 K202 R208E151-S153 VanDerWaalsContact C-N 3.25Å; E151-S153 PolarHBondContact O-N 3.41Å; E151-K202 IonicContact OE1-NZ 2.75Å; E151-K202 WeakPolarHBondContact OE2-CE 3.09Å; E151-K202 IonicContact OE2-NZ 2.74Å; E151-K202 PolarHBondContact OE2-NZ 2.78Å; E151-R208 IonicContact OE2-CZ 3.3Å; E151-R208 IonicContact OE2-NH1 3.83Å; E151-R208 IonicContact OE2-NH2 2.96Å; E151-R208 PolarHBondContact OE2-NH2 3.26Å
152R55.7Low65.6Low178 Ų17849.8 Ų49.867%0.67225%0.251SS*.G310 helixtrans-68.3-17.5-177.8-66.1-174.9-176.7-172.50.6114.5Q154R152-Q154 VanDerWaalsContact C-N 3.29Å; R152-Q154 PolarHBondContact O-N 2.96Å
153S53.5Low66Low86 Ų8651.8 Ų51.860%0.60127%0.267SS*.G310 helixtrans-75-10.2-172.549.50000114.9E151E151-S153 VanDerWaalsContact C-N 3.25Å; E151-S153 PolarHBondContact O-N 3.41Å
154Q57.9Low66.3Low95 Ų9550.7 Ų50.744%0.44427%0.272SS..G310 helixtrans-131.227.1-173.8-64.7-166.5-14.700114.2R152R152-Q154 VanDerWaalsContact C-N 3.29Å; R152-Q154 PolarHBondContact O-N 2.96Å
155G63.9Low66.8Low8 Ų850.9 Ų50.98%0.08227%0.272CS..PPolyproline II helixtrans-72.5159.4173.200000113.5V146 K157V146-G155 CarbonylContact O-C 3.53Å; V146-G155 WeakPolarHBondContact O-CA 3.49Å; G155-K157 PolarHBondContact O-N 3.07Å
156L72.1Confident67.1Low1 Ų149.2 Ų49.21%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-72.3118.417016265.2000109E145 V146 V158 L221 K225 L256E145-L156 CarbonylContact C-O 3.5Å; E145-L156 WeakPolarHBondContact CA-O 3.44Å; V146-L156 HydrophobicContact CB-CB 4.15Å; V146-L156 HydrophobicContact CG2-CD2 4.45Å; V146-L156 PolarHBondContact N-O 2.97Å; V146-L156 PolarHBondContact O-N 3.34Å; L156-V158 HydrophobicContact CD1-CG2 4.12Å; L156-V158 HydrophobicContact CD2-CG2 4.18Å; L156-V158 HydrophobicContact CG-CG2 3.95Å; L156-L221 HydrophobicContact CB-CD1 3.88Å; L156-L221 HydrophobicContact CB-CG 4.47Å; L156-K225 HydrophobicContact CD1-CD 4.37Å; L156-K225 HydrophobicContact CD1-CG 3.81Å; L156-K225 HydrophobicContact CD2-CG 3.73Å; L156-K225 HydrophobicContact CG-CG 4.26Å; L156-L256 HydrophobicContact CD1-CD1 3.94Å; L156-L256 HydrophobicContact CD1-CG 3.98Å
157K75.4Confident67.5Low64 Ų6453.6 Ų53.628%0.27829%0.288SS..EExtended strand (participates in β ladder)trans-99.8130.1172.5-69.3164.6179.8176.60110.5L144 E145 G155 Y159 E254 A255 L256L144-K157 CarbonylContact O-C 3.54Å; E145-K157 HydrophobicContact CG-CG 3.8Å; E145-K157 WeakPolarHBondContact OE1-CE 3.5Å; E145-K157 IonicContact OE1-NZ 3.47Å; G155-K157 PolarHBondContact O-N 3.07Å; K157-Y159 HydrophobicContact CB-CD2 4.2Å; K157-Y159 HydrophobicContact CB-CE2 3.51Å; K157-Y159 HydrophobicContact CD-CE2 4.37Å; K157-Y159 HydrophobicContact CG-CE2 4.39Å; K157-E254 PolarHBondContact N-O 3.35Å; K157-E254 VanDerWaalsContact N-O 3.12Å; K157-A255 HydrophobicContact CB-CB 4.01Å; K157-A255 CarbonylContact O-C 3.46Å; K157-A255 WeakPolarHBondContact O-CA 3.16Å; K157-L256 PolarHBondContact O-N 3.32Å
158V73.1Confident68.1Low0 Ų060.6 Ų60.60%032%0.318CS..EExtended strand (participates in β ladder)trans-120.9112.1177.7179.40000107.1F143 L144 L156 I166 T228 L256 F258F143-V158 CarbonylContact C-O 3.48Å; F143-V158 WeakPolarHBondContact CA-O 3.26Å; L144-V158 HydrophobicContact CB-CB 4.14Å; L144-V158 PolarHBondContact N-O 2.99Å; L144-V158 PolarHBondContact O-N 3.49Å; L156-V158 HydrophobicContact CD1-CG2 4.12Å; L156-V158 HydrophobicContact CD2-CG2 4.18Å; L156-V158 HydrophobicContact CG-CG2 3.95Å; V158-I166 HydrophobicContact CG1-CD1 4.11Å; V158-T228 HydrophobicContact CG1-CG2 3.96Å; V158-T228 HydrophobicContact CG2-CG2 3.9Å; V158-L256 CarbonylContact C-O 3.59Å; V158-L256 WeakPolarHBondContact CA-O 3.37Å; V158-F258 HydrophobicContact CG1-CD2 3.87Å; V158-F258 HydrophobicContact CG1-CE2 3.83Å
159Y75.4Confident68.6Low78 Ų7859.9 Ų59.931%0.30631%0.314SS..EExtended strand (participates in β ladder)trans-102.8133.1177.4-62.7-92.9000108.9F143 K157 A255 L256 H257 F258F143-Y159 HydrophobicContact CB-CD1 3.63Å; F143-Y159 HydrophobicContact CB-CE1 3.88Å; F143-Y159 HydrophobicContact CB-CG 4.31Å; F143-Y159 HydrophobicContact CG-CE1 4.39Å; K157-Y159 HydrophobicContact CB-CD2 4.2Å; K157-Y159 HydrophobicContact CB-CE2 3.51Å; K157-Y159 HydrophobicContact CD-CE2 4.37Å; K157-Y159 HydrophobicContact CG-CE2 4.39Å; Y159-A255 HydrophobicContact CD2-CB 4.25Å; Y159-A255 HydrophobicContact CE2-CB 3.94Å; Y159-L256 PolarHBondContact N-O 2.78Å; Y159-H257 AromaticContact CD2-CD2 3.28Å; Y159-H257 WeakPolarHBondContact CD2-CD2 3.49Å; Y159-H257 AromaticContact CD2-NE2 3.19Å; Y159-H257 WeakPolarHBondContact CD2-NE2 3.31Å; Y159-H257 AromaticContact CE2-NE2 3.62Å; Y159-H257 AromaticContact CG-CD2 3.81Å; Y159-H257 AromaticContact CG-NE2 3.85Å; Y159-H257 WeakPolarHBondContact O-CA 3.33Å; Y159-F258 PolarHBondContact O-N 3.42Å
160C72.4Confident69.4Low3 Ų359 Ų592%0.0231%0.305CS..EExtended strand (participates in β ladder)trans-142.6141.7175.6-169.30000110.9A142 D162 F165 I166 F237 F258A142-C160 PolarHBondContact N-O 2.84Å; A142-C160 VanDerWaalsContact N-O 3.08Å; A142-C160 PolarHBondContact O-N 3.47Å; C160-D162 PolarHBondContact O-N 3.4Å; C160-D162 PolarHBondContact SG-N 2.93Å; C160-F165 HydrophobicContact CB-CD1 3.77Å; C160-F165 HydrophobicContact CB-CE1 4.47Å; C160-F165 WeakPolarHBondContact SG-CD1 3.25Å; C160-I166 HydrophobicContact CB-CD1 3.83Å; C160-I166 HydrophobicContact CB-CG1 4.06Å; C160-F237 WeakPolarHBondContact SG-CE1 3.37Å; C160-F258 WeakPolarHBondContact CA-O 3.47Å; C160-F258 HydrophobicContact CB-CB 4.47Å
161S67.7Low70.1Confident86 Ų8653.1 Ų53.160%0.60129%0.289SS*.SBendtrans-71-10.4171.858.90000113.4
162D73.4Confident70.9Confident49 Ų4954.2 Ų54.226%0.26229%0.29SS..  trans-113.8109.9-178.7-171.7-21000111.1C160 G164 F165 I166 F237 K260C160-D162 PolarHBondContact O-N 3.4Å; C160-D162 PolarHBondContact SG-N 2.93Å; D162-G164 VanDerWaalsContact C-N 3.3Å; D162-G164 PolarHBondContact O-N 3.4Å; D162-G164 WeakPolarHBondContact OD1-CA 3.13Å; D162-G164 PolarHBondContact OD1-N 3.17Å; D162-F165 HydrophobicContact CB-CB 3.99Å; D162-F165 WeakPolarHBondContact O-CB 3.36Å; D162-F165 PolarHBondContact O-N 2.85Å; D162-F165 VanDerWaalsContact O-N 3.1Å; D162-F165 PolarHBondContact OD1-N 3.22Å; D162-I166 PolarHBondContact O-N 3.15Å; D162-F237 HydrophobicContact CB-CE1 3.64Å; D162-F237 HydrophobicContact CB-CZ 3.6Å; D162-F237 WeakPolarHBondContact OD2-CZ 3.38Å; D162-K260 IonicContact OD2-NZ 3.86Å
163A71.6Confident71.7Confident50 Ų5045.9 Ų45.941%0.41326%0.259SS..Hα-helixtrans-62.1-34.6176.400000113.3A142 F165 I166 D167A142-A163 HydrophobicContact CB-CB 3.82Å; A163-F165 PolarHBondContact O-N 3.07Å; A163-I166 PolarHBondContact O-N 3.29Å; A163-D167 PolarHBondContact O-N 2.96Å
164G73.6Confident72.6Confident34 Ų3443 Ų4335%0.35124%0.238SC..Hα-helixtrans-67.2-2617600000112.4D162 K168D162-G164 VanDerWaalsContact C-N 3.3Å; D162-G164 PolarHBondContact O-N 3.4Å; D162-G164 WeakPolarHBondContact OD1-CA 3.13Å; D162-G164 PolarHBondContact OD1-N 3.17Å; G164-K168 WeakPolarHBondContact O-CG 3.26Å; G164-K168 PolarHBondContact O-N 3.2Å
165F75.6Confident73.4Confident4 Ų443.7 Ų43.72%0.01824%0.241CC..Hα-helixtrans-70.3-45.1171.1177.1-105000111.6C160 D162 A163 D167 K168 V169 L231 A232 A235 F237 F258C160-F165 HydrophobicContact CB-CD1 3.77Å; C160-F165 HydrophobicContact CB-CE1 4.47Å; C160-F165 WeakPolarHBondContact SG-CD1 3.25Å; D162-F165 HydrophobicContact CB-CB 3.99Å; D162-F165 WeakPolarHBondContact O-CB 3.36Å; D162-F165 PolarHBondContact O-N 2.85Å; D162-F165 VanDerWaalsContact O-N 3.1Å; D162-F165 PolarHBondContact OD1-N 3.22Å; A163-F165 PolarHBondContact O-N 3.07Å; F165-D167 VanDerWaalsContact C-N 3.27Å; F165-D167 PolarHBondContact O-N 2.94Å; F165-K168 WeakPolarHBondContact O-CB 3.26Å; F165-K168 PolarHBondContact O-N 3.07Å; F165-K168 VanDerWaalsContact O-N 3.07Å; F165-V169 HydrophobicContact CD1-CG2 4Å; F165-V169 HydrophobicContact CD2-CG2 4.24Å; F165-V169 HydrophobicContact CE1-CG2 3.44Å; F165-V169 VanDerWaalsContact CE1-CG2 3.44Å; F165-V169 HydrophobicContact CE2-CG2 3.66Å; F165-V169 HydrophobicContact CG-CG2 4.38Å; F165-V169 HydrophobicContact CZ-CG2 3.22Å; F165-V169 WeakPolarHBondContact O-CG2 3.38Å; F165-V169 PolarHBondContact O-N 3.45Å; F165-L231 HydrophobicContact CE2-CB 4.42Å; F165-A232 HydrophobicContact CE1-CB 4.21Å; F165-A232 VanDerWaalsContact CE2-CA 3.43Å; F165-A232 HydrophobicContact CE2-CB 4.01Å; F165-A232 VanDerWaalsContact CZ-CA 3.43Å; F165-A232 HydrophobicContact CZ-CB 3.45Å; F165-A232 VanDerWaalsContact CZ-CB 3.45Å; F165-A235 HydrophobicContact CD2-CB 4.36Å; F165-A235 HydrophobicContact CE2-CB 4.44Å; F165-F237 HydrophobicContact CB-CE1 4.25Å; F165-F237 HydrophobicContact CB-CE2 4.04Å; F165-F237 HydrophobicContact CB-CZ 3.69Å; F165-F237 HydrophobicContact CD2-CD2 4.03Å; F165-F237 AromaticContact CD2-CE2 3.78Å; F165-F237 HydrophobicContact CD2-CE2 3.78Å; F165-F237 HydrophobicContact CD2-CZ 4.27Å; F165-F237 HydrophobicContact CE2-CD2 4.39Å; F165-F237 HydrophobicContact CG-CD2 4.4Å; F165-F237 HydrophobicContact CG-CE1 4.42Å; F165-F237 HydrophobicContact CG-CE2 4Å; F165-F237 HydrophobicContact CG-CZ 4.02Å; F165-F258 HydrophobicContact CE1-CD2 4.07Å; F165-F258 HydrophobicContact CE1-CG 4.41Å
166I75.7Confident73.7Confident3 Ų344.4 Ų44.42%0.01524%0.243CC..Hα-helixtrans-57.2-42.1175.9-67.6-56.9000111.3A142 L144 V158 C160 D162 A163 K168 V169 K170A142-I166 HydrophobicContact CB-CB 4.14Å; A142-I166 HydrophobicContact CB-CG1 3.49Å; A142-I166 VanDerWaalsContact CB-CG1 3.49Å; A142-I166 WeakPolarHBondContact O-CG1 3.28Å; L144-I166 HydrophobicContact CB-CD1 3.98Å; L144-I166 HydrophobicContact CB-CG2 4.01Å; V158-I166 HydrophobicContact CG1-CD1 4.11Å; C160-I166 HydrophobicContact CB-CD1 3.83Å; C160-I166 HydrophobicContact CB-CG1 4.06Å; D162-I166 PolarHBondContact O-N 3.15Å; A163-I166 PolarHBondContact O-N 3.29Å; I166-K168 PolarHBondContact O-N 3.49Å; I166-V169 PolarHBondContact O-N 2.93Å; I166-K170 HydrophobicContact CG2-CD 4.29Å; I166-K170 HydrophobicContact CG2-CG 4.42Å; I166-K170 WeakPolarHBondContact O-CB 3.24Å; I166-K170 WeakPolarHBondContact O-CG 3.38Å; I166-K170 PolarHBondContact O-N 2.87Å
167D74.8Confident73.5Confident93 Ų9344.5 Ų44.550%0.49724%0.244SC..Hα-helixtrans-62.5-39.4175.3-71.8-27.6000113.2A163 F165 K170 G171A163-D167 PolarHBondContact O-N 2.96Å; F165-D167 VanDerWaalsContact C-N 3.27Å; F165-D167 PolarHBondContact O-N 2.94Å; D167-K170 PolarHBondContact O-N 3.23Å; D167-K170 WeakPolarHBondContact OD1-CE 3.34Å; D167-K170 IonicContact OD1-NZ 2.78Å; D167-K170 PolarHBondContact OD1-NZ 3.04Å; D167-G171 PolarHBondContact O-N 2.77Å
168K76.2Confident73.2Confident151 Ų15146.4 Ų46.466%0.65725%0.252SS*.Hα-helixtrans-66.1-43.9175.2-74.3173.7-178.7179.20112.2G164 F165 I166 G171 R172G164-K168 WeakPolarHBondContact O-CG 3.26Å; G164-K168 PolarHBondContact O-N 3.2Å; F165-K168 WeakPolarHBondContact O-CB 3.26Å; F165-K168 PolarHBondContact O-N 3.07Å; F165-K168 VanDerWaalsContact O-N 3.07Å; I166-K168 PolarHBondContact O-N 3.49Å; K168-G171 PolarHBondContact O-N 2.82Å; K168-R172 WeakPolarHBondContact O-CB 3.45Å; K168-R172 PolarHBondContact O-N 3.28Å
169V74.1Confident73Confident0 Ų050.8 Ų50.80%028%0.283CS..Hα-helixtrans-61.1-48.9175.6175.20000109.6L144 F165 I166 G171 R172 L173 T228L144-V169 HydrophobicContact CD2-CB 4.32Å; L144-V169 HydrophobicContact CD2-CG1 3.58Å; F165-V169 HydrophobicContact CD1-CG2 4Å; F165-V169 HydrophobicContact CD2-CG2 4.24Å; F165-V169 HydrophobicContact CE1-CG2 3.44Å; F165-V169 VanDerWaalsContact CE1-CG2 3.44Å; F165-V169 HydrophobicContact CE2-CG2 3.66Å; F165-V169 HydrophobicContact CG-CG2 4.38Å; F165-V169 HydrophobicContact CZ-CG2 3.22Å; F165-V169 WeakPolarHBondContact O-CG2 3.38Å; F165-V169 PolarHBondContact O-N 3.45Å; I166-V169 PolarHBondContact O-N 2.93Å; V169-G171 PolarHBondContact O-N 2.98Å; V169-R172 PolarHBondContact O-N 2.81Å; V169-L173 HydrophobicContact CG1-CD1 3.79Å; V169-L173 HydrophobicContact CG1-CG 4.2Å; V169-L173 VanDerWaalsContact O-CG 3.32Å; V169-L173 WeakPolarHBondContact O-CG 3.42Å; V169-L173 PolarHBondContact O-N 3.38Å; V169-T228 HydrophobicContact CG1-CG2 3.82Å; V169-T228 HydrophobicContact CG2-CG2 4.27Å
170K75.2Confident72.6Confident25 Ų2553.2 Ų53.211%0.10929%0.291CS..Hα-helixtrans-54.6-53.1175.4-76.6-175.8-59.8-175.20111.4L144 I166 D167 R172 L173 V174 V190 S192 I195L144-K170 HydrophobicContact CD1-CD 4.18Å; L144-K170 HydrophobicContact CD1-CG 3.7Å; L144-K170 HydrophobicContact CD2-CG 4.07Å; L144-K170 HydrophobicContact CG-CG 4.43Å; I166-K170 HydrophobicContact CG2-CD 4.29Å; I166-K170 HydrophobicContact CG2-CG 4.42Å; I166-K170 WeakPolarHBondContact O-CB 3.24Å; I166-K170 WeakPolarHBondContact O-CG 3.38Å; I166-K170 PolarHBondContact O-N 2.87Å; D167-K170 PolarHBondContact O-N 3.23Å; D167-K170 WeakPolarHBondContact OD1-CE 3.34Å; D167-K170 IonicContact OD1-NZ 2.78Å; D167-K170 PolarHBondContact OD1-NZ 3.04Å; K170-R172 VanDerWaalsContact C-N 3.27Å; K170-R172 PolarHBondContact O-N 2.91Å; K170-L173 PolarHBondContact O-N 3.26Å; K170-V174 WeakPolarHBondContact O-CB 3.37Å; K170-V174 WeakPolarHBondContact O-CG2 3.42Å; K170-V174 PolarHBondContact O-N 2.91Å; K170-V190 HydrophobicContact CD-CG1 4.45Å; K170-S192 PolarHBondContact NZ-O 2.98Å; K170-I195 HydrophobicContact CB-CD1 4.18Å; K170-I195 HydrophobicContact CG-CD1 3.95Å; K170-I195 HydrophobicContact CG-CG1 4.34Å
171G74.6Confident72.2Confident42 Ų4253.3 Ų53.343%0.43329%0.291SS..Hα-helixtrans-57.9-39.4-179.500000112.8D167 K168 V169 Q175D167-G171 PolarHBondContact O-N 2.77Å; K168-G171 PolarHBondContact O-N 2.82Å; V169-G171 PolarHBondContact O-N 2.98Å; G171-Q175 WeakPolarHBondContact O-CB 3.48Å; G171-Q175 PolarHBondContact O-N 2.85Å
172R76.4Confident71.7Confident88 Ų8856.2 Ų56.233%0.33230%0.3SS..Hα-helixtrans-71.2-44.7178-176.454.7174.8172.94.8112.7K168 V169 K170 V174 Q175 I176 E227 L231K168-R172 WeakPolarHBondContact O-CB 3.45Å; K168-R172 PolarHBondContact O-N 3.28Å; V169-R172 PolarHBondContact O-N 2.81Å; K170-R172 VanDerWaalsContact C-N 3.27Å; K170-R172 PolarHBondContact O-N 2.91Å; R172-V174 VanDerWaalsContact C-N 3.3Å; R172-V174 PolarHBondContact O-N 3.13Å; R172-Q175 VanDerWaalsContact NH1-OE1 3.16Å; R172-Q175 WeakPolarHBondContact O-CB 3.28Å; R172-Q175 PolarHBondContact O-N 2.98Å; R172-Q175 VanDerWaalsContact O-N 3.15Å; R172-I176 HydrophobicContact CG-CD1 4.07Å; R172-I176 WeakPolarHBondContact O-CG1 3.29Å; R172-I176 PolarHBondContact O-N 3.1Å; R172-E227 HydrophobicContact CG-CG 4.41Å; R172-E227 IonicContact CZ-OE1 2.78Å; R172-E227 IonicContact NE-OE1 3.06Å; R172-E227 PolarHBondContact NE-OE1 3.39Å; R172-E227 IonicContact NH2-OE1 3.48Å; R172-E227 PolarHBondContact NH2-OE1 3.17Å; R172-L231 HydrophobicContact CB-CD1 3.68Å; R172-L231 HydrophobicContact CG-CD1 3.51Å; R172-L231 HydrophobicContact CG-CD2 4.12Å; R172-L231 HydrophobicContact CG-CG 4.33Å
173L72.9Confident70.8Confident3 Ų355.6 Ų55.62%0.01631%0.305CS..Hα-helixtrans-59.9-44175.2-67.6173.8000110.4L144 V146 V169 K170 Q175 I176 S177 I195 L224L144-L173 HydrophobicContact CD2-CD1 3.78Å; V146-L173 HydrophobicContact CG2-CD1 4.31Å; V169-L173 HydrophobicContact CG1-CD1 3.79Å; V169-L173 HydrophobicContact CG1-CG 4.2Å; V169-L173 VanDerWaalsContact O-CG 3.32Å; V169-L173 WeakPolarHBondContact O-CG 3.42Å; V169-L173 PolarHBondContact O-N 3.38Å; K170-L173 PolarHBondContact O-N 3.26Å; L173-Q175 VanDerWaalsContact C-N 3.34Å; L173-Q175 PolarHBondContact O-N 3.44Å; L173-I176 PolarHBondContact O-N 3.31Å; L173-S177 WeakPolarHBondContact O-CB 3.48Å; L173-S177 PolarHBondContact O-N 3.12Å; L173-S177 PolarHBondContact O-OG 3.11Å; L173-I195 HydrophobicContact CB-CD1 4.07Å; L173-I195 HydrophobicContact CD1-CD1 4.02Å; L173-L224 HydrophobicContact CD2-CB 4.09Å; L173-L224 HydrophobicContact CD2-CD2 3.66Å; L173-L224 HydrophobicContact CD2-CG 4.42Å
174V72.7Confident70Confident25 Ų2557.4 Ų57.415%0.15230%0.304CS..Hα-helixtrans-57.4-45.4173.2170.10000111.4K170 R172 S177 K178 F184 F188 V190K170-V174 WeakPolarHBondContact O-CB 3.37Å; K170-V174 WeakPolarHBondContact O-CG2 3.42Å; K170-V174 PolarHBondContact O-N 2.91Å; R172-V174 VanDerWaalsContact C-N 3.3Å; R172-V174 PolarHBondContact O-N 3.13Å; V174-S177 PolarHBondContact O-N 3.34Å; V174-K178 HydrophobicContact CG1-CD 4.22Å; V174-K178 HydrophobicContact CG1-CG 4.47Å; V174-K178 WeakPolarHBondContact O-CB 3.45Å; V174-K178 VanDerWaalsContact O-CG 3.31Å; V174-K178 WeakPolarHBondContact O-CG 2.97Å; V174-K178 PolarHBondContact O-N 3.09Å; V174-F184 HydrophobicContact CG1-CE2 3.88Å; V174-F184 HydrophobicContact CG1-CZ 4.22Å; V174-F188 HydrophobicContact CG1-CZ 4.35Å; V174-F188 HydrophobicContact CG2-CE2 4.01Å; V174-F188 HydrophobicContact CG2-CZ 4.38Å; V174-V190 HydrophobicContact CG2-CG2 3.99Å
175Q74.6Confident69Low111 Ų11159.4 Ų59.452%0.51931%0.311SS..Hα-helixtrans-64.3-41.5179.8-170.5-174.914.500112.2G171 R172 L173 K178 S179G171-Q175 WeakPolarHBondContact O-CB 3.48Å; G171-Q175 PolarHBondContact O-N 2.85Å; R172-Q175 VanDerWaalsContact NH1-OE1 3.16Å; R172-Q175 WeakPolarHBondContact O-CB 3.28Å; R172-Q175 PolarHBondContact O-N 2.98Å; R172-Q175 VanDerWaalsContact O-N 3.15Å; L173-Q175 VanDerWaalsContact C-N 3.34Å; L173-Q175 PolarHBondContact O-N 3.44Å; Q175-K178 WeakPolarHBondContact O-CB 3.31Å; Q175-K178 PolarHBondContact O-N 3.29Å; Q175-S179 PolarHBondContact O-N 3.29Å
176I70Confident68.5Low23 Ų2365.5 Ų65.512%0.11834%0.339CS..Hα-helixtrans-64.7-47.3176.3-68.4166000109.9R172 L173 K178 S179 R180 E227R172-I176 HydrophobicContact CG-CD1 4.07Å; R172-I176 WeakPolarHBondContact O-CG1 3.29Å; R172-I176 PolarHBondContact O-N 3.1Å; L173-I176 PolarHBondContact O-N 3.31Å; I176-K178 VanDerWaalsContact C-N 3.33Å; I176-K178 PolarHBondContact O-N 3.41Å; I176-S179 PolarHBondContact O-N 3.13Å; I176-S179 VanDerWaalsContact O-N 3.11Å; I176-S179 PolarHBondContact O-OG 3.3Å; I176-R180 PolarHBondContact O-N 3.3Å; I176-E227 HydrophobicContact CD1-CB 4.41Å; I176-E227 HydrophobicContact CD1-CG 3.56Å
177S68.4Low68.1Low3 Ų366.4 Ų66.42%0.02134%0.343CS..Hα-helixtrans-57.1-46.6175.6-62.70000110.9L173 V174 S179 R180 L181L173-S177 WeakPolarHBondContact O-CB 3.48Å; L173-S177 PolarHBondContact O-N 3.12Å; L173-S177 PolarHBondContact O-OG 3.11Å; V174-S177 PolarHBondContact O-N 3.34Å; S177-S179 VanDerWaalsContact C-N 3.32Å; S177-S179 PolarHBondContact O-N 2.88Å; S177-R180 CarbonylContact O-C 3.52Å; S177-R180 PolarHBondContact O-N 2.87Å; S177-R180 VanDerWaalsContact O-N 3.09Å; S177-L181 WeakPolarHBondContact O-CB 3.21Å; S177-L181 VanDerWaalsContact O-CG 3.22Å; S177-L181 WeakPolarHBondContact O-CG 3.14Å; S177-L181 PolarHBondContact O-N 3.46Å
178K68.4Low67.8Low104 Ų10462.4 Ų62.445%0.45232%0.322SS..Hα-helixtrans-55.8-42.1173.8-79.1177.7177.8-171.60113.3V174 Q175 I176 R180 F184V174-K178 HydrophobicContact CG1-CD 4.22Å; V174-K178 HydrophobicContact CG1-CG 4.47Å; V174-K178 WeakPolarHBondContact O-CB 3.45Å; V174-K178 VanDerWaalsContact O-CG 3.31Å; V174-K178 WeakPolarHBondContact O-CG 2.97Å; V174-K178 PolarHBondContact O-N 3.09Å; Q175-K178 WeakPolarHBondContact O-CB 3.31Å; Q175-K178 PolarHBondContact O-N 3.29Å; I176-K178 VanDerWaalsContact C-N 3.33Å; I176-K178 PolarHBondContact O-N 3.41Å; K178-R180 PolarHBondContact O-N 3.48Å; K178-F184 HydrophobicContact CD-CD1 4.42Å; K178-F184 HydrophobicContact CD-CD2 4.11Å; K178-F184 HydrophobicContact CD-CE1 4.47Å; K178-F184 HydrophobicContact CD-CE2 4.16Å; K178-F184 HydrophobicContact CD-CG 4.25Å; K178-F184 HydrophobicContact CD-CZ 4.35Å; K178-F184 HydrophobicContact CG-CB 4.08Å; K178-F184 HydrophobicContact CG-CD1 4.22Å; K178-F184 HydrophobicContact CG-CD2 3.3Å; K178-F184 HydrophobicContact CG-CE2 3.74Å; K178-F184 HydrophobicContact CG-CG 3.58Å; K178-F184 HydrophobicContact CG-CZ 4.38Å
179S69.5Low67.5Low92 Ų9258.9 Ų58.964%0.64331%0.312SS*.Hα-helixtrans-69.9-16.4-179.469.40000113.9Q175 I176 S177Q175-S179 PolarHBondContact O-N 3.29Å; I176-S179 PolarHBondContact O-N 3.13Å; I176-S179 VanDerWaalsContact O-N 3.11Å; I176-S179 PolarHBondContact O-OG 3.3Å; S177-S179 VanDerWaalsContact C-N 3.32Å; S177-S179 PolarHBondContact O-N 2.88Å
180R68Low67.2Low129 Ų12962.1 Ų62.149%0.48733%0.332SS..Hα-helixtrans-115.1-11.1-176.2-62.2-176.5178.4-1330.5113.5I176 S177 K178 V218I176-R180 PolarHBondContact O-N 3.3Å; S177-R180 CarbonylContact O-C 3.52Å; S177-R180 PolarHBondContact O-N 2.87Å; S177-R180 VanDerWaalsContact O-N 3.09Å; K178-R180 PolarHBondContact O-N 3.48Å; R180-V218 HydrophobicContact CB-CG1 3.69Å; R180-V218 WeakPolarHBondContact CD-O 3.47Å; R180-V218 PolarHBondContact NH1-O 3.49Å
181L63.9Low66.9Low5 Ų563.9 Ų63.93%0.02635%0.347CS..  trans-116.6106.8-177.7-65.3169.8000109.7S177 G183 E187 F188 K212 V218S177-L181 WeakPolarHBondContact O-CB 3.21Å; S177-L181 VanDerWaalsContact O-CG 3.22Å; S177-L181 WeakPolarHBondContact O-CG 3.14Å; S177-L181 PolarHBondContact O-N 3.46Å; L181-G183 PolarHBondContact O-N 3.46Å; L181-E187 HydrophobicContact CD1-CB 4.13Å; L181-E187 HydrophobicContact CD2-CB 4.41Å; L181-E187 HydrophobicContact CD2-CG 4.27Å; L181-F188 HydrophobicContact CD1-CD1 4Å; L181-F188 HydrophobicContact CD1-CE1 3.9Å; L181-K212 HydrophobicContact CD2-CG 3.82Å; L181-V218 HydrophobicContact CD2-CB 4.15Å; L181-V218 HydrophobicContact CD2-CG1 3.65Å; L181-V218 HydrophobicContact CD2-CG2 3.38Å; L181-V218 HydrophobicContact CG-CG1 3.85Å; L181-V218 HydrophobicContact CG-CG2 4.46Å
182D57.2Low66.6Low147 Ų14766.3 Ų66.379%0.78636%0.358SS*.THydrogen-bonded Turntrans-71.317.3177.9-52.6-60.8000114.6K212D182-K212 IonicContact OD2-NZ 3.95Å; D182-K212 PolarHBondContact OD2-NZ 3.32Å
183G54.3Low66.3Low35 Ų3564.3 Ų64.336%0.36135%0.354SS..THydrogen-bonded Turntrans-145.633.8-173.600000113.9L181 E186L181-G183 PolarHBondContact O-N 3.46Å; G183-E186 PolarHBondContact O-N 3.15Å
184F53.7Low66.2Low88 Ų8865.6 Ų65.639%0.38636%0.362SS..THydrogen-bonded Turntrans-58.8127.8175.9-179.6-89.7000110.7V174 K178 F188V174-F184 HydrophobicContact CG1-CE2 3.88Å; V174-F184 HydrophobicContact CG1-CZ 4.22Å; K178-F184 HydrophobicContact CD-CD1 4.42Å; K178-F184 HydrophobicContact CD-CD2 4.11Å; K178-F184 HydrophobicContact CD-CE1 4.47Å; K178-F184 HydrophobicContact CD-CE2 4.16Å; K178-F184 HydrophobicContact CD-CG 4.25Å; K178-F184 HydrophobicContact CD-CZ 4.35Å; K178-F184 HydrophobicContact CG-CB 4.08Å; K178-F184 HydrophobicContact CG-CD1 4.22Å; K178-F184 HydrophobicContact CG-CD2 3.3Å; K178-F184 HydrophobicContact CG-CE2 3.74Å; K178-F184 HydrophobicContact CG-CG 3.58Å; K178-F184 HydrophobicContact CG-CZ 4.38Å; F184-F188 AromaticContact CD2-CE1 3.81Å; F184-F188 HydrophobicContact CD2-CE1 3.81Å; F184-F188 AromaticContact CD2-CZ 3.69Å; F184-F188 HydrophobicContact CD2-CZ 3.69Å; F184-F188 AromaticContact CE2-CE1 3.97Å; F184-F188 HydrophobicContact CE2-CE1 3.97Å; F184-F188 HydrophobicContact CE2-CE2 4.05Å; F184-F188 AromaticContact CE2-CZ 3.37Å; F184-F188 HydrophobicContact CE2-CZ 3.37Å
185P52.9Low66.1Low77 Ų7764.5 Ų64.550%0.536%0.355SS..THydrogen-bonded Turncis-112.421.613.940.6-30.8000114.9E187P185-E187 PolarHBondContact O-N 3.22Å; P185-E187 VanDerWaalsContact O-N 3.14Å
186E65.1Low66.1Low131 Ų13161.6 Ų61.661%0.61234%0.342SS*.THydrogen-bonded Turntrans-67.2-21.1-167.7-63.7-172169.600113.7G183 R198G183-E186 PolarHBondContact O-N 3.15Å; E186-R198 WeakPolarHBondContact O-CD 3.18Å; E186-R198 PolarHBondContact O-NE 2.89Å; E186-R198 PolarHBondContact O-NH1 2.86Å
187E67.9Low66.2Low23 Ų2360.6 Ų60.611%0.10734%0.336CS..THydrogen-bonded Turntrans-91.6-7-171-64.6-70.2-174.700115.1L181 P185 R198 H199 K212 E213L181-E187 HydrophobicContact CD1-CB 4.13Å; L181-E187 HydrophobicContact CD2-CB 4.41Å; L181-E187 HydrophobicContact CD2-CG 4.27Å; P185-E187 PolarHBondContact O-N 3.22Å; P185-E187 VanDerWaalsContact O-N 3.14Å; E187-R198 PolarHBondContact O-N 2.95Å; E187-H199 IonicContact OE2-CE1 3.17Å; E187-H199 PolarHBondContact OE2-CE1 3.34Å; E187-H199 IonicContact OE2-CG 2.72Å; E187-H199 IonicContact OE2-ND1 2.99Å; E187-H199 PolarHBondContact OE2-ND1 3.3Å; E187-K212 VanDerWaalsContact OE1-CA 3.27Å; E187-K212 WeakPolarHBondContact OE1-CA 3.25Å; E187-E213 PolarHBondContact OE1-N 3.41Å
188F67.4Low66.3Low9 Ų966.3 Ų66.34%0.03936%0.358CS..EExtended strand (participates in β ladder)trans-157.6157.5177.364.7-88.5000113.8V174 L181 F184 V190 I195 Q196 F197V174-F188 HydrophobicContact CG1-CZ 4.35Å; V174-F188 HydrophobicContact CG2-CE2 4.01Å; V174-F188 HydrophobicContact CG2-CZ 4.38Å; L181-F188 HydrophobicContact CD1-CD1 4Å; L181-F188 HydrophobicContact CD1-CE1 3.9Å; F184-F188 AromaticContact CD2-CE1 3.81Å; F184-F188 HydrophobicContact CD2-CE1 3.81Å; F184-F188 AromaticContact CD2-CZ 3.69Å; F184-F188 HydrophobicContact CD2-CZ 3.69Å; F184-F188 AromaticContact CE2-CE1 3.97Å; F184-F188 HydrophobicContact CE2-CE1 3.97Å; F184-F188 HydrophobicContact CE2-CE2 4.05Å; F184-F188 AromaticContact CE2-CZ 3.37Å; F184-F188 HydrophobicContact CE2-CZ 3.37Å; F188-V190 HydrophobicContact CD2-CG2 3.67Å; F188-V190 HydrophobicContact CE2-CG2 3.53Å; F188-I195 HydrophobicContact CD2-CG2 4.22Å; F188-Q196 CarbonylContact C-O 3.48Å; F188-Q196 WeakPolarHBondContact CA-O 3.41Å; F188-Q196 VanDerWaalsContact CB-O 3.29Å; F188-Q196 WeakPolarHBondContact CB-O 3.5Å; F188-F197 HydrophobicContact CB-CB 4.37Å; F188-F197 HydrophobicContact CB-CD1 3.88Å; F188-F197 HydrophobicContact CB-CE1 4.41Å; F188-F197 HydrophobicContact CB-CG 4.09Å; F188-F197 HydrophobicContact CD1-CD1 4.4Å; F188-F197 HydrophobicContact CD1-CE1 4.34Å; F188-F197 HydrophobicContact CG-CD1 4.39Å; F188-F197 HydrophobicContact CG-CE1 4.49Å
189V69.6Low66.2Low76 Ų7664.3 Ų64.346%0.46135%0.349SS..EExtended strand (participates in β ladder)trans-114.1132.1177.6-177.70000109.3I195 Q196V189-I195 WeakPolarHBondContact O-CA 3.31Å; V189-Q196 PolarHBondContact N-O 3Å; V189-Q196 PolarHBondContact O-N 2.83Å
190V67.6Low66.2Low69 Ų6961.6 Ų61.642%0.41833%0.326SS..EExtended strand (participates in β ladder)trans-110.3122.4173.6-172.40000108.8K170 V174 F188 V194 I195K170-V190 HydrophobicContact CD-CG1 4.45Å; V174-V190 HydrophobicContact CG2-CG2 3.99Å; F188-V190 HydrophobicContact CD2-CG2 3.67Å; F188-V190 HydrophobicContact CE2-CG2 3.53Å; V190-V194 WeakPolarHBondContact CA-O 3.47Å; V190-I195 HydrophobicContact CG1-CG1 4.22Å; V190-I195 HydrophobicContact CG2-CG1 4.27Å
191S70.4Confident66.1Low61 Ų6159.5 Ų59.543%0.42732%0.324SS..  trans-115.3-173.3170.276.70000110.2N193 V194S191-N193 VanDerWaalsContact C-N 3.27Å; S191-N193 PolarHBondContact O-N 2.85Å; S191-V194 PolarHBondContact N-O 2.87Å; S191-V194 WeakPolarHBondContact OG-CB 3.25Å; S191-V194 PolarHBondContact OG-N 2.79Å
192S67.3Low66.2Low94 Ų9465.1 Ų65.166%0.65735%0.348SS*.SBendtrans-50.7-46.9-177.9-51.70000112.5K170K170-S192 PolarHBondContact NZ-O 2.98Å
193N71.4Confident66.5Low45 Ų4560.4 Ų60.424%0.24133%0.326CS..SBendtrans-127.18.1-172.9-67.3-6000113.3F143 L144 E145 S191F143-N193 HydrophobicContact CD1-CB 4.42Å; F143-N193 HydrophobicContact CD2-CB 4.28Å; F143-N193 HydrophobicContact CE1-CB 4.12Å; F143-N193 WeakPolarHBondContact CE1-ND2 3.41Å; F143-N193 HydrophobicContact CE2-CB 3.97Å; F143-N193 HydrophobicContact CG-CB 4.5Å; F143-N193 HydrophobicContact CZ-CB 3.88Å; F143-N193 WeakPolarHBondContact O-CA 3.41Å; F143-N193 WeakPolarHBondContact O-CB 3.35Å; L144-N193 CarbonylContact C-O 3.5Å; L144-N193 VanDerWaalsContact CA-O 3.28Å; L144-N193 WeakPolarHBondContact CA-O 3.45Å; E145-N193 PolarHBondContact N-O 3.29Å; S191-N193 VanDerWaalsContact C-N 3.27Å; S191-N193 PolarHBondContact O-N 2.85Å
194V69.1Low66.9Low31 Ų3167.7 Ų67.719%0.18835%0.351CS..EExtended strand (participates in β ladder)trans-134.1135.2-174.3-172.60000110.8E145 V190 S191 Q196E145-V194 HydrophobicContact CB-CG1 4.49Å; E145-V194 HydrophobicContact CB-CG2 4.31Å; E145-V194 CarbonylContact O-C 3.54Å; E145-V194 VanDerWaalsContact O-CA 3.3Å; E145-V194 WeakPolarHBondContact O-CA 3.44Å; E145-V194 WeakPolarHBondContact O-CG1 3.4Å; V190-V194 WeakPolarHBondContact CA-O 3.47Å; S191-V194 PolarHBondContact N-O 2.87Å; S191-V194 WeakPolarHBondContact OG-CB 3.25Å; S191-V194 PolarHBondContact OG-N 2.79Å; V194-Q196 HydrophobicContact CG1-CB 4.19Å
195I71.8Confident67Low2 Ų269.5 Ų69.51%0.0137%0.372CS..EExtended strand (participates in β ladder)trans-111.7109.7160.4-65.6172.5000106.9L144 E145 V146 T147 K170 L173 F188 V189 V190 F197L144-I195 HydrophobicContact CD1-CB 4.32Å; L144-I195 HydrophobicContact CD1-CD1 4Å; L144-I195 HydrophobicContact CD1-CG1 3.83Å; L144-I195 HydrophobicContact CD2-CD1 4.41Å; E145-I195 PolarHBondContact O-N 2.97Å; V146-I195 VanDerWaalsContact CA-O 3.22Å; V146-I195 WeakPolarHBondContact CA-O 3.39Å; V146-I195 HydrophobicContact CG2-CB 4.44Å; T147-I195 PolarHBondContact N-O 3.28Å; K170-I195 HydrophobicContact CB-CD1 4.18Å; K170-I195 HydrophobicContact CG-CD1 3.95Å; K170-I195 HydrophobicContact CG-CG1 4.34Å; L173-I195 HydrophobicContact CB-CD1 4.07Å; L173-I195 HydrophobicContact CD1-CD1 4.02Å; F188-I195 HydrophobicContact CD2-CG2 4.22Å; V189-I195 WeakPolarHBondContact O-CA 3.31Å; V190-I195 HydrophobicContact CG1-CG1 4.22Å; V190-I195 HydrophobicContact CG2-CG1 4.27Å; I195-F197 HydrophobicContact CG2-CD2 4.19Å; I195-F197 HydrophobicContact CG2-CE2 3.78Å; I195-F197 HydrophobicContact CG2-CZ 4.28Å
196Q73.1Confident67.3Low50 Ų5069 Ų6923%0.23438%0.38CS..EExtended strand (participates in β ladder)trans-108.1114.7-178.7-174.3-179.8-16.200109.2F188 V189 V194F188-Q196 CarbonylContact C-O 3.48Å; F188-Q196 WeakPolarHBondContact CA-O 3.41Å; F188-Q196 VanDerWaalsContact CB-O 3.29Å; F188-Q196 WeakPolarHBondContact CB-O 3.5Å; V189-Q196 PolarHBondContact N-O 3Å; V189-Q196 PolarHBondContact O-N 2.83Å; V194-Q196 HydrophobicContact CG1-CB 4.19Å
197F73.4Confident67.2Low2 Ų264.1 Ų64.11%0.00936%0.361CS..EExtended strand (participates in β ladder)trans-82.8146.9173.2-63.6-102.3000110.2V146 T147 S149 F188 I195 F200 V210 L224V146-F197 HydrophobicContact CG1-CD2 3.89Å; V146-F197 HydrophobicContact CG1-CE2 3.62Å; T147-F197 PolarHBondContact O-N 3.15Å; T147-F197 VanDerWaalsContact O-N 3.15Å; S149-F197 PolarHBondContact N-O 3.03Å; F188-F197 HydrophobicContact CB-CB 4.37Å; F188-F197 HydrophobicContact CB-CD1 3.88Å; F188-F197 HydrophobicContact CB-CE1 4.41Å; F188-F197 HydrophobicContact CB-CG 4.09Å; F188-F197 HydrophobicContact CD1-CD1 4.4Å; F188-F197 HydrophobicContact CD1-CE1 4.34Å; F188-F197 HydrophobicContact CG-CD1 4.39Å; F188-F197 HydrophobicContact CG-CE1 4.49Å; I195-F197 HydrophobicContact CG2-CD2 4.19Å; I195-F197 HydrophobicContact CG2-CE2 3.78Å; I195-F197 HydrophobicContact CG2-CZ 4.28Å; F197-F200 HydrophobicContact CB-CD2 4.24Å; F197-F200 HydrophobicContact CB-CE2 3.45Å; F197-F200 VanDerWaalsContact CB-CE2 3.45Å; F197-F200 HydrophobicContact CB-CZ 3.73Å; F197-F200 HydrophobicContact CD2-CE2 4.35Å; F197-F200 AromaticContact CD2-CZ 3.88Å; F197-F200 HydrophobicContact CD2-CZ 3.88Å; F197-F200 HydrophobicContact CG-CE2 4.26Å; F197-F200 HydrophobicContact CG-CZ 4.04Å; F197-V210 HydrophobicContact CD1-CG1 3.52Å; F197-V210 HydrophobicContact CD1-CG2 4.27Å; F197-V210 HydrophobicContact CE1-CG1 3.89Å; F197-V210 HydrophobicContact CE1-CG2 4.37Å; F197-V210 HydrophobicContact CG-CG1 4.18Å; F197-V210 HydrophobicContact CG-CG2 4.38Å; F197-L224 HydrophobicContact CE2-CD1 4.11Å; F197-L224 HydrophobicContact CZ-CD1 4.17Å
198R69.9Low67.2Low123 Ų12363.9 Ų63.946%0.46436%0.359SS..SBendtrans-77.6-42.4-177.3-69.7-163.8-174.6169.54.1112.5S149 E186 E187S149-R198 PolarHBondContact OG-O 3.41Å; E186-R198 WeakPolarHBondContact O-CD 3.18Å; E186-R198 PolarHBondContact O-NE 2.89Å; E186-R198 PolarHBondContact O-NH1 2.86Å; E187-R198 PolarHBondContact O-N 2.95Å
199H66.3Low67.1Low61 Ų6165 Ų6528%0.28237%0.365SS..  trans-120128-172.6-56.6105.3000112.4E187 L211E187-H199 IonicContact OE2-CE1 3.17Å; E187-H199 PolarHBondContact OE2-CE1 3.34Å; E187-H199 IonicContact OE2-CG 2.72Å; E187-H199 IonicContact OE2-ND1 2.99Å; E187-H199 PolarHBondContact OE2-ND1 3.3Å; H199-L211 HydrophobicContact CB-CB 4.44Å; H199-L211 PolarHBondContact O-N 2.92Å
200F69.5Low67.2Low36 Ų3661.5 Ų61.516%0.15834%0.344CS..EExtended strand (participates in β ladder)trans-136.3151.6172.1-78.3-84.9000110.9T147 D148 F197 R208 L209 V210T147-F200 WeakPolarHBondContact O-CE2 3.38Å; D148-F200 HydrophobicContact CB-CD2 3.65Å; D148-F200 HydrophobicContact CB-CE2 3.91Å; D148-F200 HydrophobicContact CB-CG 4.39Å; F197-F200 HydrophobicContact CB-CD2 4.24Å; F197-F200 HydrophobicContact CB-CE2 3.45Å; F197-F200 VanDerWaalsContact CB-CE2 3.45Å; F197-F200 HydrophobicContact CB-CZ 3.73Å; F197-F200 HydrophobicContact CD2-CE2 4.35Å; F197-F200 AromaticContact CD2-CZ 3.88Å; F197-F200 HydrophobicContact CD2-CZ 3.88Å; F197-F200 HydrophobicContact CG-CE2 4.26Å; F197-F200 HydrophobicContact CG-CZ 4.04Å; F200-R208 HydrophobicContact CD1-CB 4.23Å; F200-L209 CarbonylContact C-O 3.58Å; F200-L209 VanDerWaalsContact CA-O 3.3Å; F200-L209 WeakPolarHBondContact CA-O 3.29Å; F200-L209 WeakPolarHBondContact CD1-O 3.32Å; F200-V210 HydrophobicContact CD1-CG2 4.01Å; F200-V210 HydrophobicContact CE1-CB 4.34Å; F200-V210 HydrophobicContact CE1-CG2 3.34Å; F200-V210 HydrophobicContact CZ-CG2 3.9Å
201I66.3Low67.1Low85 Ų8559.1 Ų59.144%0.43633%0.328SS..EExtended strand (participates in β ladder)trans-124.4140.6162.8-165.8166.3000110.4L209 L211I201-L209 HydrophobicContact CG2-CB 3.69Å; I201-L209 HydrophobicContact CG2-CD1 4.03Å; I201-L209 HydrophobicContact CG2-CG 4.18Å; I201-L209 PolarHBondContact N-O 3.3Å; I201-L209 PolarHBondContact O-N 3.08Å; I201-L211 HydrophobicContact CB-CD1 3.68Å; I201-L211 HydrophobicContact CB-CG 4.37Å; I201-L211 HydrophobicContact CG2-CD1 3.48Å; I201-L211 VanDerWaalsContact CG2-CD1 3.48Å; I201-L211 HydrophobicContact CG2-CD2 4.04Å; I201-L211 HydrophobicContact CG2-CG 3.83Å
202K65.6Low67Low123 Ų12357.7 Ų57.754%0.53532%0.315SS..EExtended strand (participates in β ladder)trans-80.9121.7167.1-69.4-178.7-177176.40108.1E151 R208E151-K202 IonicContact OE1-NZ 2.75Å; E151-K202 WeakPolarHBondContact OE2-CE 3.09Å; E151-K202 IonicContact OE2-NZ 2.74Å; E151-K202 PolarHBondContact OE2-NZ 2.78Å; K202-R208 VanDerWaalsContact CE-NH2 3.3Å; K202-R208 HydrophobicContact CG-CG 4.47Å
203S64.4Low67Low47 Ų4760.3 Ų60.333%0.32932%0.317SS..EExtended strand (participates in β ladder)trans-100.9145.3170.4-179.40000109.2G206 S207S203-G206 CarbonylContact O-C 3.58Å; S203-G206 WeakPolarHBondContact O-CA 3.4Å; S203-G206 PolarHBondContact O-N 3.46Å; S203-S207 WeakPolarHBondContact CB-O 3.47Å; S203-S207 PolarHBondContact N-O 2.69Å; S203-S207 PolarHBondContact O-N 3.43Å
204E62Low67Low189 Ų18963.2 Ų63.288%0.88333%0.332SS*.THydrogen-bonded Turntrans-72.7121.9165.5-69.1-171.8157.200108.2
205P56.3Low66.9Low126 Ų12666.2 Ų66.282%0.81835%0.354SS*.THydrogen-bonded Turncis-110.86028.240.7-31.5000114.2
206G58.9Low66.9Low65 Ų6569.2 Ų69.267%0.6737%0.373SS*.THydrogen-bonded Turntrans92.82.917700000115.1S203 R208S203-G206 CarbonylContact O-C 3.58Å; S203-G206 WeakPolarHBondContact O-CA 3.4Å; S203-G206 PolarHBondContact O-N 3.46Å; G206-R208 PolarHBondContact O-N 2.75Å
207S62.3Low66.8Low30 Ų3071.8 Ų71.821%0.2138%0.383CS..EExtended strand (participates in β ladder)trans-70.8127.5174.5-62.50000110.5S203S203-S207 WeakPolarHBondContact CB-O 3.47Å; S203-S207 PolarHBondContact N-O 2.69Å; S203-S207 PolarHBondContact O-N 3.43Å
208R68.3Low66.6Low18 Ų1872 Ų727%0.06839%0.385CS..EExtended strand (participates in β ladder)trans-87.2126.8169.9-67.5-171-176.4-130.21.6109.8D148 E151 F200 K202 G206 T220 L221D148-R208 IonicContact OD2-NH1 3.91Å; D148-R208 PolarHBondContact OD2-NH1 2.88Å; E151-R208 IonicContact OE2-CZ 3.3Å; E151-R208 IonicContact OE2-NH1 3.83Å; E151-R208 IonicContact OE2-NH2 2.96Å; E151-R208 PolarHBondContact OE2-NH2 3.26Å; F200-R208 HydrophobicContact CD1-CB 4.23Å; K202-R208 VanDerWaalsContact CE-NH2 3.3Å; K202-R208 HydrophobicContact CG-CG 4.47Å; G206-R208 PolarHBondContact O-N 2.75Å; R208-T220 WeakPolarHBondContact O-CA 3.28Å; R208-L221 HydrophobicContact CB-CB 4.35Å; R208-L221 PolarHBondContact O-N 3.09Å
209L65.6Low66.8Low33 Ų3366.3 Ų66.317%0.17336%0.364CS..EExtended strand (participates in β ladder)trans-107.2126.7179.8-53.1-175.2000108.7F200 I201 L211 F217 T220F200-L209 CarbonylContact C-O 3.58Å; F200-L209 VanDerWaalsContact CA-O 3.3Å; F200-L209 WeakPolarHBondContact CA-O 3.29Å; F200-L209 WeakPolarHBondContact CD1-O 3.32Å; I201-L209 HydrophobicContact CG2-CB 3.69Å; I201-L209 HydrophobicContact CG2-CD1 4.03Å; I201-L209 HydrophobicContact CG2-CG 4.18Å; I201-L209 PolarHBondContact N-O 3.3Å; I201-L209 PolarHBondContact O-N 3.08Å; L209-L211 HydrophobicContact CB-CD2 4.42Å; L209-F217 HydrophobicContact CB-CD2 3.72Å; L209-F217 HydrophobicContact CB-CE2 3.59Å; L209-F217 HydrophobicContact CD1-CD2 4.02Å; L209-F217 HydrophobicContact CD1-CE2 4.1Å; L209-F217 HydrophobicContact CD2-CD2 4.24Å; L209-F217 HydrophobicContact CD2-CE2 3.48Å; L209-F217 VanDerWaalsContact CD2-CE2 3.48Å; L209-F217 HydrophobicContact CD2-CZ 4.1Å; L209-F217 HydrophobicContact CG-CD2 4.19Å; L209-F217 HydrophobicContact CG-CE2 3.89Å; L209-T220 HydrophobicContact CD2-CG2 3.54Å
210V71.6Confident67.2Low1 Ų164.8 Ų64.81%0.00636%0.359CS..EExtended strand (participates in β ladder)trans-76.1128.8169.2-179.40000107.7F197 F200 V218 C219F197-V210 HydrophobicContact CD1-CG1 3.52Å; F197-V210 HydrophobicContact CD1-CG2 4.27Å; F197-V210 HydrophobicContact CE1-CG1 3.89Å; F197-V210 HydrophobicContact CE1-CG2 4.37Å; F197-V210 HydrophobicContact CG-CG1 4.18Å; F197-V210 HydrophobicContact CG-CG2 4.38Å; F200-V210 HydrophobicContact CD1-CG2 4.01Å; F200-V210 HydrophobicContact CE1-CB 4.34Å; F200-V210 HydrophobicContact CE1-CG2 3.34Å; F200-V210 HydrophobicContact CZ-CG2 3.9Å; V210-V218 HydrophobicContact CB-CB 4.28Å; V210-V218 HydrophobicContact CG1-CB 4.17Å; V210-V218 HydrophobicContact CG1-CG2 4.42Å; V210-V218 WeakPolarHBondContact O-CB 3.44Å; V210-V218 PolarHBondContact O-N 3.39Å; V210-C219 PolarHBondContact N-O 3.15Å
211L66.3Low67.3Low19 Ų1963.8 Ų63.810%0.09936%0.355CS..EExtended strand (participates in β ladder)trans-119.7164.4178.4-56.9-178.1000111.2H199 I201 L209 T216 F217H199-L211 HydrophobicContact CB-CB 4.44Å; H199-L211 PolarHBondContact O-N 2.92Å; I201-L211 HydrophobicContact CB-CD1 3.68Å; I201-L211 HydrophobicContact CB-CG 4.37Å; I201-L211 HydrophobicContact CG2-CD1 3.48Å; I201-L211 VanDerWaalsContact CG2-CD1 3.48Å; I201-L211 HydrophobicContact CG2-CD2 4.04Å; I201-L211 HydrophobicContact CG2-CG 3.83Å; L209-L211 HydrophobicContact CB-CD2 4.42Å; L211-T216 CarbonylContact C-O 3.55Å; L211-T216 VanDerWaalsContact CA-O 3.24Å; L211-T216 WeakPolarHBondContact CA-O 3.49Å; L211-F217 HydrophobicContact CD2-CB 4.06Å; L211-F217 HydrophobicContact CD2-CD2 4.12Å
212K67.5Low67.7Low32 Ų3261.5 Ų61.514%0.13934%0.344CS..  trans-83.2167158.6-70.2-177.1-175.6177.40110.5L181 D182 E187 D214 S215 T216 V218L181-K212 HydrophobicContact CD2-CG 3.82Å; D182-K212 IonicContact OD2-NZ 3.95Å; D182-K212 PolarHBondContact OD2-NZ 3.32Å; E187-K212 VanDerWaalsContact OE1-CA 3.27Å; E187-K212 WeakPolarHBondContact OE1-CA 3.25Å; K212-D214 WeakPolarHBondContact CB-OD1 3.43Å; K212-D214 PolarHBondContact O-N 3.47Å; K212-S215 PolarHBondContact O-N 3.47Å; K212-T216 PolarHBondContact N-O 2.76Å; K212-V218 HydrophobicContact CG-CG2 4.13Å
213E68.4Low68.2Low149 Ų14958.7 Ų58.770%0.69634%0.339SS*.THydrogen-bonded Turntrans-54.6-33.3173.4-170.6175.3-177.800112.5E187 S215E187-E213 PolarHBondContact OE1-N 3.41Å; E213-S215 PolarHBondContact O-N 3.09Å
214D70.6Confident68.7Low105 Ų10556.6 Ų56.656%0.56132%0.324SS*.THydrogen-bonded Turntrans-779.5176.5713.9000114.6K212 T216K212-D214 WeakPolarHBondContact CB-OD1 3.43Å; K212-D214 PolarHBondContact O-N 3.47Å; D214-T216 VanDerWaalsContact C-N 3.25Å; D214-T216 PolarHBondContact O-N 2.93Å; D214-T216 WeakPolarHBondContact OD1-CB 3.42Å; D214-T216 PolarHBondContact OD1-N 3.23Å; D214-T216 PolarHBondContact OD1-OG1 3.37Å; D214-T216 PolarHBondContact OD2-OG1 3.05Å
215S67.9Low69.4Low94 Ų9448.4 Ų48.466%0.65729%0.286SS*.  trans66.913.8-176.1-53.50000115.7K212 E213K212-S215 PolarHBondContact O-N 3.47Å; E213-S215 PolarHBondContact O-N 3.09Å
216T71.8Confident70.5Confident65 Ų6546.9 Ų46.940%0.39927%0.27SS..  trans-71.7133.3173.2-56.80000111.5L211 K212 D214L211-T216 CarbonylContact C-O 3.55Å; L211-T216 VanDerWaalsContact CA-O 3.24Å; L211-T216 WeakPolarHBondContact CA-O 3.49Å; K212-T216 PolarHBondContact N-O 2.76Å; D214-T216 VanDerWaalsContact C-N 3.25Å; D214-T216 PolarHBondContact O-N 2.93Å; D214-T216 WeakPolarHBondContact OD1-CB 3.42Å; D214-T216 PolarHBondContact OD1-N 3.23Å; D214-T216 PolarHBondContact OD1-OG1 3.37Å; D214-T216 PolarHBondContact OD2-OG1 3.05Å
217F69.1Low71.5Confident104 Ų10446.4 Ų46.446%0.45625%0.251SS..EExtended strand (participates in β ladder)trans-74.4134.5178.7176-109.8000113.9L209 L211 C219 T220L209-F217 HydrophobicContact CB-CD2 3.72Å; L209-F217 HydrophobicContact CB-CE2 3.59Å; L209-F217 HydrophobicContact CD1-CD2 4.02Å; L209-F217 HydrophobicContact CD1-CE2 4.1Å; L209-F217 HydrophobicContact CD2-CD2 4.24Å; L209-F217 HydrophobicContact CD2-CE2 3.48Å; L209-F217 VanDerWaalsContact CD2-CE2 3.48Å; L209-F217 HydrophobicContact CD2-CZ 4.1Å; L209-F217 HydrophobicContact CG-CD2 4.19Å; L209-F217 HydrophobicContact CG-CE2 3.89Å; L211-F217 HydrophobicContact CD2-CB 4.06Å; L211-F217 HydrophobicContact CD2-CD2 4.12Å; F217-C219 VanDerWaalsContact CE2-O 3.25Å; F217-C219 WeakPolarHBondContact CE2-O 3.44Å; F217-T220 HydrophobicContact CE2-CG2 4.18Å; F217-T220 HydrophobicContact CZ-CG2 3.71Å
218V70.8Confident72.2Confident6 Ų645 Ų454%0.03624%0.241CC..EExtended strand (participates in β ladder)trans-112.2-59.4-175.4-174.30000111.5R180 L181 V210 K212R180-V218 HydrophobicContact CB-CG1 3.69Å; R180-V218 WeakPolarHBondContact CD-O 3.47Å; R180-V218 PolarHBondContact NH1-O 3.49Å; L181-V218 HydrophobicContact CD2-CB 4.15Å; L181-V218 HydrophobicContact CD2-CG1 3.65Å; L181-V218 HydrophobicContact CD2-CG2 3.38Å; L181-V218 HydrophobicContact CG-CG1 3.85Å; L181-V218 HydrophobicContact CG-CG2 4.46Å; V210-V218 HydrophobicContact CB-CB 4.28Å; V210-V218 HydrophobicContact CG1-CB 4.17Å; V210-V218 HydrophobicContact CG1-CG2 4.42Å; V210-V218 WeakPolarHBondContact O-CB 3.44Å; V210-V218 PolarHBondContact O-N 3.39Å; K212-V218 HydrophobicContact CG-CG2 4.13Å
219C72.4Confident72.9Confident5 Ų545 Ų453%0.03424%0.243CC..EExtended strand (participates in β ladder)trans-163.9164.117966.90000112V210 F217V210-C219 PolarHBondContact N-O 3.15Å; F217-C219 VanDerWaalsContact CE2-O 3.25Å; F217-C219 WeakPolarHBondContact CE2-O 3.44Å
220T74.9Confident73.7Confident28 Ų2848 Ų4817%0.17226%0.257CS..EExtended strand (participates in β ladder)trans-92.2154.9171.572.30000110.8R208 L209 F217 D222 C223 L224R208-T220 WeakPolarHBondContact O-CA 3.28Å; L209-T220 HydrophobicContact CD2-CG2 3.54Å; F217-T220 HydrophobicContact CE2-CG2 4.18Å; F217-T220 HydrophobicContact CZ-CG2 3.71Å; T220-D222 PolarHBondContact O-N 3.25Å; T220-D222 PolarHBondContact OG1-N 3.11Å; T220-C223 PolarHBondContact O-N 3.28Å; T220-C223 PolarHBondContact OG1-N 3.2Å; T220-C223 VanDerWaalsContact OG1-N 3.14Å; T220-C223 PolarHBondContact OG1-SG 2.75Å; T220-L224 PolarHBondContact O-N 3Å
221L72.4Confident74.2Confident16 Ų1650 Ų508%0.08427%0.267CS..Hα-helixtrans-57.2-34.7171.5-17263.4000111.8V146 L156 R208 C223 L224 K225V146-L221 HydrophobicContact CG1-CD1 4.48Å; L156-L221 HydrophobicContact CB-CD1 3.88Å; L156-L221 HydrophobicContact CB-CG 4.47Å; R208-L221 HydrophobicContact CB-CB 4.35Å; R208-L221 PolarHBondContact O-N 3.09Å; L221-C223 PolarHBondContact O-N 2.99Å; L221-L224 WeakPolarHBondContact O-CB 3.34Å; L221-L224 PolarHBondContact O-N 3.39Å; L221-L224 VanDerWaalsContact O-N 3.15Å; L221-K225 WeakPolarHBondContact O-CG 3.37Å; L221-K225 PolarHBondContact O-N 3.17Å
222D74.8Confident74.8Confident36 Ų3649.1 Ų49.119%0.19326%0.262CS..Hα-helixtrans-64.1-38.1179.1-60-25000112.7T220 L224 K225 L226 V251T220-D222 PolarHBondContact O-N 3.25Å; T220-D222 PolarHBondContact OG1-N 3.11Å; D222-L224 VanDerWaalsContact C-N 3.31Å; D222-L224 PolarHBondContact O-N 2.67Å; D222-K225 WeakPolarHBondContact O-CB 3.46Å; D222-K225 PolarHBondContact O-N 3.38Å; D222-L226 WeakPolarHBondContact O-CG 3.43Å; D222-L226 PolarHBondContact O-N 3.28Å; D222-V251 HydrophobicContact CB-CG1 3.67Å; D222-V251 VanDerWaalsContact OD1-CG1 3.22Å; D222-V251 WeakPolarHBondContact OD1-CG1 3.5Å
223C75.9Confident75.5Confident65 Ų6552.1 Ų52.144%0.43928%0.28SS..Hα-helixtrans-62.3-40173.3-69.40000111.6T220 L221 L226 E227T220-C223 PolarHBondContact O-N 3.28Å; T220-C223 PolarHBondContact OG1-N 3.2Å; T220-C223 VanDerWaalsContact OG1-N 3.14Å; T220-C223 PolarHBondContact OG1-SG 2.75Å; L221-C223 PolarHBondContact O-N 2.99Å; C223-L226 PolarHBondContact O-N 3.22Å; C223-E227 PolarHBondContact O-N 2.87Å; C223-E227 VanDerWaalsContact O-N 3.07Å
224L74.9Confident76.2Confident3 Ų353.3 Ų53.32%0.01628%0.282CS..Hα-helixtrans-67.9-38.4177.4-58.5174.4000111.5V146 L173 F197 T220 L221 D222 T228V146-L224 HydrophobicContact CG1-CD1 4.5Å; L173-L224 HydrophobicContact CD2-CB 4.09Å; L173-L224 HydrophobicContact CD2-CD2 3.66Å; L173-L224 HydrophobicContact CD2-CG 4.42Å; F197-L224 HydrophobicContact CE2-CD1 4.11Å; F197-L224 HydrophobicContact CZ-CD1 4.17Å; T220-L224 PolarHBondContact O-N 3Å; L221-L224 WeakPolarHBondContact O-CB 3.34Å; L221-L224 PolarHBondContact O-N 3.39Å; L221-L224 VanDerWaalsContact O-N 3.15Å; D222-L224 VanDerWaalsContact C-N 3.31Å; D222-L224 PolarHBondContact O-N 2.67Å; L224-T228 WeakPolarHBondContact O-CB 3.47Å; L224-T228 PolarHBondContact O-N 3.32Å; L224-T228 PolarHBondContact O-OG1 3.08Å
225K77.4Confident76.6Confident16 Ų1650.3 Ų50.37%0.0727%0.272CS..Hα-helixtrans-58.9-52.4172.9-69.5-178.7-170.5-176.20111.3L156 L221 D222 E227 T228 V229 V251 A253L156-K225 HydrophobicContact CD1-CD 4.37Å; L156-K225 HydrophobicContact CD1-CG 3.81Å; L156-K225 HydrophobicContact CD2-CG 3.73Å; L156-K225 HydrophobicContact CG-CG 4.26Å; L221-K225 WeakPolarHBondContact O-CG 3.37Å; L221-K225 PolarHBondContact O-N 3.17Å; D222-K225 WeakPolarHBondContact O-CB 3.46Å; D222-K225 PolarHBondContact O-N 3.38Å; K225-E227 PolarHBondContact O-N 3.23Å; K225-T228 WeakPolarHBondContact O-CB 3.49Å; K225-T228 PolarHBondContact O-N 3.35Å; K225-V229 WeakPolarHBondContact O-CG2 3.38Å; K225-V229 PolarHBondContact O-N 3.23Å; K225-V251 PolarHBondContact NZ-O 3.43Å; K225-A253 WeakPolarHBondContact CE-O 3.44Å; K225-A253 PolarHBondContact NZ-O 3.32Å
226L78.8Confident77.2Confident94 Ų9448 Ų4849%0.49226%0.263SS..Hα-helixtrans-60.3-44.6-178.8-74.4170.7000112.2D222 C223 T228 V229 M230D222-L226 WeakPolarHBondContact O-CG 3.43Å; D222-L226 PolarHBondContact O-N 3.28Å; C223-L226 PolarHBondContact O-N 3.22Å; L226-T228 VanDerWaalsContact C-N 3.33Å; L226-T228 PolarHBondContact O-N 2.92Å; L226-V229 PolarHBondContact O-N 2.98Å; L226-M230 WeakPolarHBondContact O-CB 3.37Å; L226-M230 VanDerWaalsContact O-CG 3.26Å; L226-M230 WeakPolarHBondContact O-CG 3.34Å; L226-M230 PolarHBondContact O-N 3.23Å
227E79.4Confident77.5Confident56 Ų5645.2 Ų45.226%0.26225%0.245SC..Hα-helixtrans-63.1-41.9177.6-173.177.9169.300111.1R172 I176 C223 K225 V229 M230 L231R172-E227 HydrophobicContact CG-CG 4.41Å; R172-E227 IonicContact CZ-OE1 2.78Å; R172-E227 IonicContact NE-OE1 3.06Å; R172-E227 PolarHBondContact NE-OE1 3.39Å; R172-E227 IonicContact NH2-OE1 3.48Å; R172-E227 PolarHBondContact NH2-OE1 3.17Å; I176-E227 HydrophobicContact CD1-CB 4.41Å; I176-E227 HydrophobicContact CD1-CG 3.56Å; C223-E227 PolarHBondContact O-N 2.87Å; C223-E227 VanDerWaalsContact O-N 3.07Å; K225-E227 PolarHBondContact O-N 3.23Å; E227-V229 VanDerWaalsContact C-N 3.34Å; E227-V229 PolarHBondContact O-N 3.37Å; E227-M230 PolarHBondContact O-N 3.32Å; E227-L231 HydrophobicContact CG-CD1 4.21Å; E227-L231 HydrophobicContact CG-CG 4.49Å; E227-L231 VanDerWaalsContact O-CG 3.28Å; E227-L231 WeakPolarHBondContact O-CG 3.39Å; E227-L231 PolarHBondContact O-N 3.32Å
228T78.1Confident78Confident0 Ų047.2 Ų47.20%025%0.254CS..Hα-helixtrans-59.2-45.5177.1-590000111.5V158 V169 L224 K225 L226 L231 A232 L256 F258V158-T228 HydrophobicContact CG1-CG2 3.96Å; V158-T228 HydrophobicContact CG2-CG2 3.9Å; V169-T228 HydrophobicContact CG1-CG2 3.82Å; V169-T228 HydrophobicContact CG2-CG2 4.27Å; L224-T228 WeakPolarHBondContact O-CB 3.47Å; L224-T228 PolarHBondContact O-N 3.32Å; L224-T228 PolarHBondContact O-OG1 3.08Å; K225-T228 WeakPolarHBondContact O-CB 3.49Å; K225-T228 PolarHBondContact O-N 3.35Å; L226-T228 VanDerWaalsContact C-N 3.33Å; L226-T228 PolarHBondContact O-N 2.92Å; T228-L231 PolarHBondContact O-N 3.39Å; T228-A232 PolarHBondContact O-N 2.86Å; T228-L256 HydrophobicContact CG2-CD1 4.49Å; T228-F258 HydrophobicContact CG2-CE2 4.02Å; T228-F258 HydrophobicContact CG2-CZ 4.45Å
229V81.7Confident78.4Confident18 Ų1849.5 Ų49.511%0.10927%0.266CS..Hα-helixtrans-62.3-45.9176.1174.30000110.9K225 L226 E227 L231 A232 L233 V250 L256 F258K225-V229 WeakPolarHBondContact O-CG2 3.38Å; K225-V229 PolarHBondContact O-N 3.23Å; L226-V229 PolarHBondContact O-N 2.98Å; E227-V229 VanDerWaalsContact C-N 3.34Å; E227-V229 PolarHBondContact O-N 3.37Å; V229-L231 VanDerWaalsContact C-N 3.31Å; V229-L231 PolarHBondContact O-N 2.78Å; V229-A232 WeakPolarHBondContact O-CB 3.33Å; V229-A232 PolarHBondContact O-N 2.99Å; V229-L233 HydrophobicContact CG1-CD1 3.9Å; V229-L233 HydrophobicContact CG1-CG 4.3Å; V229-L233 WeakPolarHBondContact O-CG 3.42Å; V229-L233 PolarHBondContact O-N 2.98Å; V229-V250 HydrophobicContact CG2-CG1 3.88Å; V229-L256 HydrophobicContact CG2-CD1 3.86Å; V229-L256 HydrophobicContact CG2-CD2 4.47Å; V229-F258 HydrophobicContact CB-CZ 4.46Å; V229-F258 HydrophobicContact CG2-CZ 3.98Å
230M83.8Confident78.4Confident97 Ų9753.3 Ų53.348%0.47829%0.289SS..Hα-helixtrans-62.2-38.2179.5-72.3-64-70.100112.4L226 E227 K234L226-M230 WeakPolarHBondContact O-CB 3.37Å; L226-M230 VanDerWaalsContact O-CG 3.26Å; L226-M230 WeakPolarHBondContact O-CG 3.34Å; L226-M230 PolarHBondContact O-N 3.23Å; E227-M230 PolarHBondContact O-N 3.32Å; M230-K234 WeakPolarHBondContact O-CB 3.37Å; M230-K234 VanDerWaalsContact O-CG 3.29Å; M230-K234 WeakPolarHBondContact O-CG 3.3Å; M230-K234 PolarHBondContact O-N 2.9Å
231L81.6Confident78.1Confident42 Ų4254.7 Ų54.722%0.2230%0.297CS..Hα-helixtrans-65.9-43.5174.1-70.3166.8000112F165 R172 E227 T228 V229 K234 A235F165-L231 HydrophobicContact CE2-CB 4.42Å; R172-L231 HydrophobicContact CB-CD1 3.68Å; R172-L231 HydrophobicContact CG-CD1 3.51Å; R172-L231 HydrophobicContact CG-CD2 4.12Å; R172-L231 HydrophobicContact CG-CG 4.33Å; E227-L231 HydrophobicContact CG-CD1 4.21Å; E227-L231 HydrophobicContact CG-CG 4.49Å; E227-L231 VanDerWaalsContact O-CG 3.28Å; E227-L231 WeakPolarHBondContact O-CG 3.39Å; E227-L231 PolarHBondContact O-N 3.32Å; T228-L231 PolarHBondContact O-N 3.39Å; V229-L231 VanDerWaalsContact C-N 3.31Å; V229-L231 PolarHBondContact O-N 2.78Å; L231-K234 PolarHBondContact O-N 3.07Å; L231-A235 WeakPolarHBondContact O-CB 3.27Å; L231-A235 PolarHBondContact O-N 2.89Å
232A78.9Confident77.5Confident0 Ų055.1 Ų55.10%030%0.303CS..Hα-helixtrans-58.3-52.5177.300000111.1F165 T228 V229 K234 A235 G236 F237 F258F165-A232 HydrophobicContact CE1-CB 4.21Å; F165-A232 VanDerWaalsContact CE2-CA 3.43Å; F165-A232 HydrophobicContact CE2-CB 4.01Å; F165-A232 VanDerWaalsContact CZ-CA 3.43Å; F165-A232 HydrophobicContact CZ-CB 3.45Å; F165-A232 VanDerWaalsContact CZ-CB 3.45Å; T228-A232 PolarHBondContact O-N 2.86Å; V229-A232 WeakPolarHBondContact O-CB 3.33Å; V229-A232 PolarHBondContact O-N 2.99Å; A232-K234 PolarHBondContact O-N 2.87Å; A232-A235 CarbonylContact O-C 3.54Å; A232-A235 PolarHBondContact O-N 3.04Å; A232-G236 PolarHBondContact O-N 2.87Å; A232-F237 HydrophobicContact CB-CB 4.1Å; A232-F237 WeakPolarHBondContact O-CB 2.93Å; A232-F237 PolarHBondContact O-N 2.97Å; A232-F258 HydrophobicContact CB-CD1 3.32Å; A232-F258 HydrophobicContact CB-CD2 4.32Å; A232-F258 HydrophobicContact CB-CE1 3.24Å; A232-F258 HydrophobicContact CB-CE2 4.25Å; A232-F258 HydrophobicContact CB-CG 3.87Å; A232-F258 HydrophobicContact CB-CZ 3.74Å
233L82Confident76.4Confident95 Ų9558 Ų5850%0.49732%0.318SS..Hα-helixtrans-61.8-42.8-179.2-65.1175.6000111.7V229 A235 G236V229-L233 HydrophobicContact CG1-CD1 3.9Å; V229-L233 HydrophobicContact CG1-CG 4.3Å; V229-L233 WeakPolarHBondContact O-CG 3.42Å; V229-L233 PolarHBondContact O-N 2.98Å; L233-A235 PolarHBondContact O-N 2.81Å; L233-G236 PolarHBondContact O-N 2.81Å; L233-G236 VanDerWaalsContact O-N 3.09Å
234K83.6Confident75.1Confident174 Ų17459 Ų5976%0.75732%0.319SS*.Hα-helixtrans-62.7-30.8174.9-78.5178179.8178.10113.1M230 L231 A232 G236M230-K234 WeakPolarHBondContact O-CB 3.37Å; M230-K234 VanDerWaalsContact O-CG 3.29Å; M230-K234 WeakPolarHBondContact O-CG 3.3Å; M230-K234 PolarHBondContact O-N 2.9Å; L231-K234 PolarHBondContact O-N 3.07Å; A232-K234 PolarHBondContact O-N 2.87Å; K234-G236 VanDerWaalsContact C-N 3.25Å
235A77.9Confident73.8Confident42 Ų4262.1 Ų62.135%0.34734%0.341SS..THydrogen-bonded Turntrans-85.95.3177.600000113.3F165 L231 A232 L233 F237F165-A235 HydrophobicContact CD2-CB 4.36Å; F165-A235 HydrophobicContact CE2-CB 4.44Å; L231-A235 WeakPolarHBondContact O-CB 3.27Å; L231-A235 PolarHBondContact O-N 2.89Å; A232-A235 CarbonylContact O-C 3.54Å; A232-A235 PolarHBondContact O-N 3.04Å; L233-A235 PolarHBondContact O-N 2.81Å; A235-F237 HydrophobicContact CB-CD2 3.68Å; A235-F237 HydrophobicContact CB-CE2 3.8Å
236G79.9Confident72.4Confident45 Ų4566 Ų6646%0.46437%0.37SS..THydrogen-bonded Turntrans85.27.7177.100000114.7A232 L233 K234A232-G236 PolarHBondContact O-N 2.87Å; L233-G236 PolarHBondContact O-N 2.81Å; L233-G236 VanDerWaalsContact O-N 3.09Å; K234-G236 VanDerWaalsContact C-N 3.25Å
237F79.6Confident71.2Confident7 Ų770 Ų703%0.03138%0.384CS..PPolyproline II helixtrans-80.5148.5177.8-66.7-102.1000111.1C160 D162 F165 A232 A235 F258 V259 K260C160-F237 WeakPolarHBondContact SG-CE1 3.37Å; D162-F237 HydrophobicContact CB-CE1 3.64Å; D162-F237 HydrophobicContact CB-CZ 3.6Å; D162-F237 WeakPolarHBondContact OD2-CZ 3.38Å; F165-F237 HydrophobicContact CB-CE1 4.25Å; F165-F237 HydrophobicContact CB-CE2 4.04Å; F165-F237 HydrophobicContact CB-CZ 3.69Å; F165-F237 HydrophobicContact CD2-CD2 4.03Å; F165-F237 AromaticContact CD2-CE2 3.78Å; F165-F237 HydrophobicContact CD2-CE2 3.78Å; F165-F237 HydrophobicContact CD2-CZ 4.27Å; F165-F237 HydrophobicContact CE2-CD2 4.39Å; F165-F237 HydrophobicContact CG-CD2 4.4Å; F165-F237 HydrophobicContact CG-CE1 4.42Å; F165-F237 HydrophobicContact CG-CE2 4Å; F165-F237 HydrophobicContact CG-CZ 4.02Å; A232-F237 HydrophobicContact CB-CB 4.1Å; A232-F237 WeakPolarHBondContact O-CB 2.93Å; A232-F237 PolarHBondContact O-N 2.97Å; A235-F237 HydrophobicContact CB-CD2 3.68Å; A235-F237 HydrophobicContact CB-CE2 3.8Å; F237-F258 HydrophobicContact CB-CB 4.25Å; F237-F258 HydrophobicContact CD1-CB 4.32Å; F237-V259 CarbonylContact C-O 3.33Å; F237-V259 VanDerWaalsContact CA-O 3.25Å; F237-V259 WeakPolarHBondContact CA-O 3.48Å; F237-V259 WeakPolarHBondContact CB-O 3.5Å; F237-K260 HydrophobicContact CD1-CB 3.93Å; F237-K260 HydrophobicContact CD1-CG 4.34Å; F237-K260 HydrophobicContact CE1-CB 3.73Å; F237-K260 HydrophobicContact CE1-CD 4.19Å; F237-K260 HydrophobicContact CE1-CG 4.06Å; F237-K260 HydrophobicContact CE2-CD 4.4Å; F237-K260 HydrophobicContact CE2-CG 4.46Å; F237-K260 HydrophobicContact CZ-CB 4.28Å; F237-K260 HydrophobicContact CZ-CD 3.9Å; F237-K260 HydrophobicContact CZ-CG 4.13Å
238K78.9Confident69.9Low146 Ų14670.7 Ų70.764%0.63541%0.406SS*.EExtended strand (participates in β ladder)trans-102.6135.1172.7-62.1177.1-175.9171.90109.5V240 F258 V259K238-V240 PolarHBondContact O-N 3.49Å; K238-F258 WeakPolarHBondContact O-CA 3.45Å; K238-V259 HydrophobicContact CB-CG2 4.34Å; K238-V259 PolarHBondContact N-O 3.03Å; K238-V259 PolarHBondContact O-N 3.24Å
239L79.4Confident69.2Low55 Ų5573 Ų7329%0.28842%0.422SS..EExtended strand (participates in β ladder)trans-77.1117.2170.2-178.569.3000108.5V250 L256 H257 F258L239-V250 HydrophobicContact CD2-CG1 4.39Å; L239-V250 HydrophobicContact CD2-CG2 3.99Å; L239-L256 HydrophobicContact CD1-CB 4.18Å; L239-L256 HydrophobicContact CD1-CD2 4.13Å; L239-H257 WeakPolarHBondContact CA-O 3.34Å; L239-F258 HydrophobicContact CB-CD1 4.19Å; L239-F258 HydrophobicContact CB-CE1 3.95Å; L239-F258 HydrophobicContact CD1-CD1 4.01Å; L239-F258 HydrophobicContact CD1-CE1 3.54Å; L239-F258 HydrophobicContact CD1-CE2 4.48Å; L239-F258 HydrophobicContact CD1-CZ 3.82Å; L239-F258 HydrophobicContact CG-CE1 4.31Å
240V73Confident68.2Low84 Ų8474.4 Ų74.451%0.50943%0.43SS..EExtended strand (participates in β ladder)trans-88.4-46.8-176.4-173.40000111.2K238 H257 V259K238-V240 PolarHBondContact O-N 3.49Å; V240-H257 HydrophobicContact CB-CB 4.44Å; V240-H257 PolarHBondContact N-O 3.14Å; V240-V259 HydrophobicContact CG2-CB 3.97Å; V240-V259 HydrophobicContact CG2-CG1 3.6Å; V240-V259 HydrophobicContact CG2-CG2 3.27Å
241T67.3Low67.2Low58 Ų5872 Ų7236%0.35642%0.421SS..EExtended strand (participates in β ladder)trans-147.2141.5-179.451.90000111.7H257T241-H257 PolarHBondContact O-N 3.34Å; T241-H257 VanDerWaalsContact O-N 3.12Å; T241-H257 WeakPolarHBondContact OG1-CB 3.46Å; T241-H257 VanDerWaalsContact OG1-CG 3.29Å; T241-H257 PolarHBondContact OG1-ND1 3.24Å
242A61.2Low66.2Low25 Ų2572 Ų7221%0.20743%0.427CS..EExtended strand (participates in β ladder)trans-104.4100.4157.800000106.5A253 A255A242-A253 HydrophobicContact CB-CB 3.48Å; A242-A253 VanDerWaalsContact CB-CB 3.48Å; A242-A255 WeakPolarHBondContact CA-O 3.39Å
243L50.7Low65.6Low97 Ų9772 Ų7251%0.50843%0.427SS..EExtended strand (participates in β ladder)trans-75131.5178.1-90.6143.8000109.3E254 A255 H257L243-E254 PolarHBondContact O-N 3.33Å; L243-A255 HydrophobicContact CB-CB 4.43Å; L243-A255 PolarHBondContact N-O 3.17Å; L243-H257 VanDerWaalsContact CD1-CE1 3.41Å; L243-H257 WeakPolarHBondContact CD1-CE1 3.29Å
244D48.9Very low65Low86 Ų8672.3 Ų72.346%0.4643%0.426SS..  trans69.174.2-162.1-162.18.2000116.1S246 E254D244-S246 PolarHBondContact OD1-N 2.96Å; D244-E254 HydrophobicContact CB-CG 4.32Å
245S46.9Very low64.5Low67 Ų6764.4 Ų64.447%0.46939%0.394SS..  trans-10854.9167.6620000111.6K247 G248S245-K247 PolarHBondContact O-N 3Å; S245-G248 PolarHBondContact O-N 3.44Å
246S48.7Very low64.5Low99 Ų9962.4 Ų62.469%0.69238%0.377SS*.THydrogen-bonded Turntrans-51.5-17.4164.457.50000113.2D244D244-S246 PolarHBondContact OD1-N 2.96Å
247K53Low64.5Low177 Ų17762.7 Ų62.777%0.7737%0.366SS*.THydrogen-bonded Turntrans-125.510.3179-60.4-169.6177.9-179.70116.3S245 S249S245-K247 PolarHBondContact O-N 3Å; K247-S249 PolarHBondContact O-N 3.39Å
248G52.8Low64.5Low70 Ų7062.5 Ų62.572%0.72237%0.365SS*.SBendtrans639.9177.600000116.5S245S245-G248 PolarHBondContact O-N 3.44Å
249S63.2Low64.2Low50 Ų5058.5 Ų58.535%0.3535%0.353SS..  trans-107.4130.6-178.5178.60000111K247 V251 A252K247-S249 PolarHBondContact O-N 3.39Å; S249-V251 PolarHBondContact O-N 3.43Å; S249-V251 VanDerWaalsContact O-N 3.14Å; S249-V251 WeakPolarHBondContact OG-CB 3.33Å; S249-V251 PolarHBondContact OG-N 2.78Å; S249-A252 PolarHBondContact O-N 3.46Å
250V62.1Low64Low46 Ų4663.6 Ų63.628%0.27937%0.373SS..G310 helixtrans-57.6-26.4173.8177.40000111.9V229 L239 A252 A253 L256V229-V250 HydrophobicContact CG2-CG1 3.88Å; L239-V250 HydrophobicContact CD2-CG1 4.39Å; L239-V250 HydrophobicContact CD2-CG2 3.99Å; V250-A252 VanDerWaalsContact C-N 3.27Å; V250-A252 PolarHBondContact O-N 3.08Å; V250-A253 VanDerWaalsContact O-CB 3.3Å; V250-A253 WeakPolarHBondContact O-CB 3.21Å; V250-A253 PolarHBondContact O-N 3.14Å; V250-L256 HydrophobicContact CG1-CD2 3.75Å
251V61Low63.5Low48 Ų4862.6 Ų62.629%0.29137%0.366SS..G310 helixtrans-64.6-33.6177.1-173.70000111.5D222 K225 S249 A253D222-V251 HydrophobicContact CB-CG1 3.67Å; D222-V251 VanDerWaalsContact OD1-CG1 3.22Å; D222-V251 WeakPolarHBondContact OD1-CG1 3.5Å; K225-V251 PolarHBondContact NZ-O 3.43Å; S249-V251 PolarHBondContact O-N 3.43Å; S249-V251 VanDerWaalsContact O-N 3.14Å; S249-V251 WeakPolarHBondContact OG-CB 3.33Å; S249-V251 PolarHBondContact OG-N 2.78Å; V251-A253 VanDerWaalsContact C-N 3.33Å
252A62.1Low63.3Low42 Ų4262.8 Ų62.835%0.34737%0.367SS..G310 helixtrans-82.2-9.1179.600000113.7S249 V250S249-A252 PolarHBondContact O-N 3.46Å; V250-A252 VanDerWaalsContact C-N 3.27Å; V250-A252 PolarHBondContact O-N 3.08Å
253A66.2Low63.4Low0 Ų064.9 Ų64.90%038%0.375CS..  trans-68.1135.2-175.300000112.2K225 A242 V250 V251 L256K225-A253 WeakPolarHBondContact CE-O 3.44Å; K225-A253 PolarHBondContact NZ-O 3.32Å; A242-A253 HydrophobicContact CB-CB 3.48Å; A242-A253 VanDerWaalsContact CB-CB 3.48Å; V250-A253 VanDerWaalsContact O-CB 3.3Å; V250-A253 WeakPolarHBondContact O-CB 3.21Å; V250-A253 PolarHBondContact O-N 3.14Å; V251-A253 VanDerWaalsContact C-N 3.33Å; A253-L256 HydrophobicContact CB-CD2 4.09Å
254E68.1Low64.2Low100 Ų10063.1 Ų63.147%0.46737%0.368SS..SBendtrans-80.4-29.3172.2-63.4-168.6147.400111.6K157 L243 D244K157-E254 PolarHBondContact N-O 3.35Å; K157-E254 VanDerWaalsContact N-O 3.12Å; L243-E254 PolarHBondContact O-N 3.33Å; D244-E254 HydrophobicContact CB-CG 4.32Å
255A73.3Confident65.1Low9 Ų961.6 Ų61.67%0.07436%0.362CS..EExtended strand (participates in β ladder)trans-135.9142.3178.200000112.8K157 Y159 A242 L243K157-A255 HydrophobicContact CB-CB 4.01Å; K157-A255 CarbonylContact O-C 3.46Å; K157-A255 WeakPolarHBondContact O-CA 3.16Å; Y159-A255 HydrophobicContact CD2-CB 4.25Å; Y159-A255 HydrophobicContact CE2-CB 3.94Å; A242-A255 WeakPolarHBondContact CA-O 3.39Å; L243-A255 HydrophobicContact CB-CB 4.43Å; L243-A255 PolarHBondContact N-O 3.17Å
256L78.8Confident66.4Low0 Ų061.3 Ų61.30%036%0.355CS..EExtended strand (participates in β ladder)trans-114.3121.9175.1-59.8178000109.7L156 K157 V158 Y159 T228 V229 L239 V250 A253 F258L156-L256 HydrophobicContact CD1-CD1 3.94Å; L156-L256 HydrophobicContact CD1-CG 3.98Å; K157-L256 PolarHBondContact O-N 3.32Å; V158-L256 CarbonylContact C-O 3.59Å; V158-L256 WeakPolarHBondContact CA-O 3.37Å; Y159-L256 PolarHBondContact N-O 2.78Å; T228-L256 HydrophobicContact CG2-CD1 4.49Å; V229-L256 HydrophobicContact CG2-CD1 3.86Å; V229-L256 HydrophobicContact CG2-CD2 4.47Å; L239-L256 HydrophobicContact CD1-CB 4.18Å; L239-L256 HydrophobicContact CD1-CD2 4.13Å; V250-L256 HydrophobicContact CG1-CD2 3.75Å; A253-L256 HydrophobicContact CB-CD2 4.09Å; L256-F258 HydrophobicContact CB-CD2 4.46Å; L256-F258 HydrophobicContact CB-CE2 3.67Å; L256-F258 HydrophobicContact CB-CZ 4.05Å; L256-F258 HydrophobicContact CD1-CE2 4.27Å; L256-F258 HydrophobicContact CD1-CZ 4.23Å
257H78.8Confident67.6Low51 Ų5158.6 Ų58.624%0.23633%0.331CS..EExtended strand (participates in β ladder)trans-110.7121.6179.8-64.7-174.2000110.5Y159 L239 V240 T241 L243Y159-H257 AromaticContact CD2-CD2 3.28Å; Y159-H257 WeakPolarHBondContact CD2-CD2 3.49Å; Y159-H257 AromaticContact CD2-NE2 3.19Å; Y159-H257 WeakPolarHBondContact CD2-NE2 3.31Å; Y159-H257 AromaticContact CE2-NE2 3.62Å; Y159-H257 AromaticContact CG-CD2 3.81Å; Y159-H257 AromaticContact CG-NE2 3.85Å; Y159-H257 WeakPolarHBondContact O-CA 3.33Å; L239-H257 WeakPolarHBondContact CA-O 3.34Å; V240-H257 HydrophobicContact CB-CB 4.44Å; V240-H257 PolarHBondContact N-O 3.14Å; T241-H257 PolarHBondContact O-N 3.34Å; T241-H257 VanDerWaalsContact O-N 3.12Å; T241-H257 WeakPolarHBondContact OG1-CB 3.46Å; T241-H257 VanDerWaalsContact OG1-CG 3.29Å; T241-H257 PolarHBondContact OG1-ND1 3.24Å; L243-H257 VanDerWaalsContact CD1-CE1 3.41Å; L243-H257 WeakPolarHBondContact CD1-CE1 3.29Å
258F79.3Confident68.8Low2 Ų249.5 Ų49.51%0.00930%0.297CS..EExtended strand (participates in β ladder)trans-115138.4180-61.6-75.3000111.8V158 Y159 C160 F165 T228 V229 A232 F237 K238 L239 L256V158-F258 HydrophobicContact CG1-CD2 3.87Å; V158-F258 HydrophobicContact CG1-CE2 3.83Å; Y159-F258 PolarHBondContact O-N 3.42Å; C160-F258 WeakPolarHBondContact CA-O 3.47Å; C160-F258 HydrophobicContact CB-CB 4.47Å; F165-F258 HydrophobicContact CE1-CD2 4.07Å; F165-F258 HydrophobicContact CE1-CG 4.41Å; T228-F258 HydrophobicContact CG2-CE2 4.02Å; T228-F258 HydrophobicContact CG2-CZ 4.45Å; V229-F258 HydrophobicContact CB-CZ 4.46Å; V229-F258 HydrophobicContact CG2-CZ 3.98Å; A232-F258 HydrophobicContact CB-CD1 3.32Å; A232-F258 HydrophobicContact CB-CD2 4.32Å; A232-F258 HydrophobicContact CB-CE1 3.24Å; A232-F258 HydrophobicContact CB-CE2 4.25Å; A232-F258 HydrophobicContact CB-CG 3.87Å; A232-F258 HydrophobicContact CB-CZ 3.74Å; F237-F258 HydrophobicContact CB-CB 4.25Å; F237-F258 HydrophobicContact CD1-CB 4.32Å; K238-F258 WeakPolarHBondContact O-CA 3.45Å; L239-F258 HydrophobicContact CB-CD1 4.19Å; L239-F258 HydrophobicContact CB-CE1 3.95Å; L239-F258 HydrophobicContact CD1-CD1 4.01Å; L239-F258 HydrophobicContact CD1-CE1 3.54Å; L239-F258 HydrophobicContact CD1-CE2 4.48Å; L239-F258 HydrophobicContact CD1-CZ 3.82Å; L239-F258 HydrophobicContact CG-CE1 4.31Å; L256-F258 HydrophobicContact CB-CD2 4.46Å; L256-F258 HydrophobicContact CB-CE2 3.67Å; L256-F258 HydrophobicContact CB-CZ 4.05Å; L256-F258 HydrophobicContact CD1-CE2 4.27Å; L256-F258 HydrophobicContact CD1-CZ 4.23Å
259V74.4Confident70.1Confident63 Ų6347.8 Ų47.838%0.38226%0.262SS..EExtended strand (participates in β ladder)trans-129.6150.3171-62.40000109.3F237 K238 V240F237-V259 CarbonylContact C-O 3.33Å; F237-V259 VanDerWaalsContact CA-O 3.25Å; F237-V259 WeakPolarHBondContact CA-O 3.48Å; F237-V259 WeakPolarHBondContact CB-O 3.5Å; K238-V259 HydrophobicContact CB-CG2 4.34Å; K238-V259 PolarHBondContact N-O 3.03Å; K238-V259 PolarHBondContact O-N 3.24Å; V240-V259 HydrophobicContact CG2-CB 3.97Å; V240-V259 HydrophobicContact CG2-CG1 3.6Å; V240-V259 HydrophobicContact CG2-CG2 3.27Å
260K73.9Confident70.7Confident162 Ų16247.5 Ų47.570%0.70425%0.254SS*.  trans-83.30-179.9-157.2168.2-170.3169.40111.7D162 F237D162-K260 IonicContact OD2-NZ 3.86Å; F237-K260 HydrophobicContact CD1-CB 3.93Å; F237-K260 HydrophobicContact CD1-CG 4.34Å; F237-K260 HydrophobicContact CE1-CB 3.73Å; F237-K260 HydrophobicContact CE1-CD 4.19Å; F237-K260 HydrophobicContact CE1-CG 4.06Å; F237-K260 HydrophobicContact CE2-CD 4.4Å; F237-K260 HydrophobicContact CE2-CG 4.46Å; F237-K260 HydrophobicContact CZ-CB 4.28Å; F237-K260 HydrophobicContact CZ-CD 3.9Å; F237-K260 HydrophobicContact CZ-CG 4.13Å

Retrieved 260 of 260 residues in 85 ms (Link to these results)