A0A3Q0KC41_SCHMA Loading...

Heat shock protein HSP60, putative

AlphaFold DB , UniProt , Accession A0A3Q0KC41, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 572 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
1M38.6Very low40.4Very low236 Ų236157.7 Ų157.7100%1.16384%0.84SS**  0127.60-82.4177.7-171.100108.3
2L38.6Very low40.8Very low141 Ų141159.3 Ų159.374%0.73885%0.848SS**  trans46.1108.9155.4-74.595.4000119.3
3R37.5Very low41.6Very low232 Ų232153.6 Ų153.688%0.87584%0.836SS**  76.1136.2103.6-74.3-170.2-180-179.3-4.1111.8
4A41.1Very low42.2Very low75 Ų75150.7 Ų150.762%0.6283%0.829SS**  cis167.41770.100000104.1
5F40.7Very low42.7Very low206 Ų206149 Ų14990%0.90482%0.824SS**  trans88.687.9-178.4-62.8-79.8000114.3
6A42.7Very low42.9Very low79 Ų79153.8 Ų153.865%0.65383%0.826SS**  83.499.462.500000113.8
7T40.2Very low43.1Very low132 Ų132154.6 Ų154.681%0.8182%0.823SS**  trans52.5110135.350.50000120.2
8L39.4Very low43Very low177 Ų177158.7 Ų158.793%0.92783%0.825SS**  trans-143.9109.4136.5-99.1143.5000107.8G10L8-G10 PolarHBondContact O-N 3.42Å
9R40.8Very low43.1Very low243 Ų243156.8 Ų156.892%0.91782%0.821SS**  trans-71.4119.1173-87.5178.7169.9176.2-3.6108.3T11R9-T11 PolarHBondContact O-N 3.45Å
10G40.4Very low43.2Very low78 Ų78155.7 Ų155.780%0.80481%0.814SS**  trans-71.4118.4170.600000111.1L8L8-G10 PolarHBondContact O-N 3.42Å
11T44.7Very low43.5Very low136 Ų136156.3 Ų156.383%0.83481%0.813SS**  trans-86.5110.5161.644.30000108.4R9 A13R9-T11 PolarHBondContact O-N 3.45Å; T11-A13 PolarHBondContact O-N 3.43Å
12L44.6Very low44.2Very low177 Ų177153.5 Ų153.593%0.92779%0.79SS**  trans-64.6109.7168.9-74.7160.1000109
13A51.2Low45.3Very low85 Ų85152.1 Ų152.170%0.70279%0.792SS**  trans-83.5135.9165.700000109T11 V15T11-A13 PolarHBondContact O-N 3.43Å; A13-V15 PolarHBondContact O-N 3.21Å
14P50.7Low47.1Very low113 Ų113145.8 Ų145.873%0.73477%0.769SS**  trans-67.3126177.727.5-31.7000109.5R16P14-R16 VanDerWaalsContact C-N 3.32Å; P14-R16 PolarHBondContact O-N 3.44Å
15V49Very low49.3Very low125 Ų125145.2 Ų145.276%0.75876%0.764SS**  trans-63.295.8168.6178.70000107.4A13 H17A13-V15 PolarHBondContact O-N 3.21Å; V15-H17 PolarHBondContact O-N 3.29Å; V15-H17 VanDerWaalsContact O-N 3.08Å
16R45.8Very low51.7Low226 Ų226141.1 Ų141.185%0.85375%0.746SS**  trans-68.7101164.8-78.5-176.7170-175.6-2.9106.9P14 R18P14-R16 VanDerWaalsContact C-N 3.32Å; P14-R16 PolarHBondContact O-N 3.44Å; R16-R18 VanDerWaalsContact C-N 3.27Å; R16-R18 PolarHBondContact O-N 3.48Å
17H46.9Very low54Low167 Ų167140.5 Ų140.577%0.77373%0.729SS**  trans-58.298.5158.2-80.7-36.2000107.5V15 V19V15-H17 PolarHBondContact O-N 3.29Å; V15-H17 VanDerWaalsContact O-N 3.08Å; H17-V19 PolarHBondContact O-N 2.88Å
18R41Very low56.6Low228 Ų228137 Ų13786%0.8671%0.708SS**  trans-60.995.9156.9-91.8-176.5169.9-179-2.6105.2R16 I20R16-R18 VanDerWaalsContact C-N 3.27Å; R16-R18 PolarHBondContact O-N 3.48Å; R18-I20 PolarHBondContact O-N 3.4Å
19V45.1Very low59.2Low124 Ų124131.4 Ų131.475%0.75268%0.676SS**  trans-57.3100.4154.2178.80000103.8H17 Q21H17-V19 PolarHBondContact O-N 2.88Å; V19-Q21 PolarHBondContact O-N 3.34Å
20I46Very low61.7Low133 Ų133126 Ų12668%0.68266%0.659SS**  trans-67.285.4166.1-58.2175.5000103.6R18 R22R18-I20 PolarHBondContact O-N 3.4Å; I20-R22 HydrophobicContact CG2-CG 3.74Å; I20-R22 PolarHBondContact O-N 3.42Å
21Q47.7Very low64.1Low170 Ų170122.6 Ų122.679%0.79462%0.624SS**  trans-60.794.3159-114.3-177.3-24.700103.9V19 S23V19-Q21 PolarHBondContact O-N 3.34Å; Q21-S23 PolarHBondContact O-N 3.32Å
22R54.1Low66.3Low176 Ų176118.3 Ų118.366%0.66460%0.603SS**  trans-67.683.8168.6-72.6-167.8178.9174.3-0.2106.3I20 Y24I20-R22 HydrophobicContact CG2-CG 3.74Å; I20-R22 PolarHBondContact O-N 3.42Å; R22-Y24 HydrophobicContact CB-CD2 4.16Å; R22-Y24 HydrophobicContact CB-CE2 3.68Å; R22-Y24 WeakPolarHBondContact CD-OH 3.49Å; R22-Y24 PolarHBondContact NH1-OH 3.21Å; R22-Y24 WeakPolarHBondContact O-CD2 3.46Å; R22-Y24 PolarHBondContact O-N 3.02Å
23S62.4Low68.5Low113 Ų113115.8 Ų115.879%0.7959%0.59SS**  trans-73.685.816653.80000106.8Q21Q21-S23 PolarHBondContact O-N 3.32Å
24Y75Confident70.5Confident99 Ų99111.7 Ų111.739%0.38856%0.557SS.*  trans-64.4134.9168.3-61.3-78.5000108.2R22R22-Y24 HydrophobicContact CB-CD2 4.16Å; R22-Y24 HydrophobicContact CB-CE2 3.68Å; R22-Y24 WeakPolarHBondContact CD-OH 3.49Å; R22-Y24 PolarHBondContact NH1-OH 3.21Å; R22-Y24 WeakPolarHBondContact O-CD2 3.46Å; R22-Y24 PolarHBondContact O-N 3.02Å
25A86.4Confident72.4Confident63 Ų63107.2 Ų107.252%0.52153%0.525SS..  trans-58142.1171.500000109.1L547A25-L547 HydrophobicContact CB-CB 4.19Å; A25-L547 HydrophobicContact CB-CD2 4.12Å; A25-L547 VanDerWaalsContact O-CB 3.28Å; A25-L547 WeakPolarHBondContact O-CB 3.35Å; A25-L547 PolarHBondContact O-N 3.46Å
26K91.8Very high74.5Confident119 Ų119104.8 Ų104.852%0.51751%0.513SS..EExtended strand (participates in β ladder)trans-108.8143.9179.3-57.4-63.5-174.11710109.5V544 T545 D546K26-V544 HydrophobicContact CB-CG1 3.83Å; K26-V544 HydrophobicContact CD-CG1 4.28Å; K26-V544 HydrophobicContact CG-CG1 4.07Å; K26-T545 CarbonylContact C-O 3.4Å; K26-T545 WeakPolarHBondContact CA-O 3.37Å; K26-T545 WeakPolarHBondContact CB-O 3.25Å; K26-T545 WeakPolarHBondContact CD-O 3.21Å; K26-D546 WeakPolarHBondContact CD-OD1 3.27Å; K26-D546 WeakPolarHBondContact CE-OD1 3.48Å; K26-D546 IonicContact NZ-OD1 3.91Å; K26-D546 PolarHBondContact NZ-OD1 3.25Å; K26-D546 IonicContact NZ-OD2 2.64Å
27E91.7Very high76.8Confident66 Ų6694.7 Ų94.731%0.30848%0.478SS..EExtended strand (participates in β ladder)trans-98.3138.6165.9-166.9-176.3159.600108.6K29 F88 V544 T545 L547E27-K29 WeakPolarHBondContact OE1-CE 3.23Å; E27-F88 HydrophobicContact CB-CZ 4.24Å; E27-F88 HydrophobicContact CG-CE2 4.14Å; E27-F88 HydrophobicContact CG-CZ 3.97Å; E27-F88 WeakPolarHBondContact OE1-CE2 3.47Å; E27-V544 WeakPolarHBondContact O-CA 3.48Å; E27-T545 PolarHBondContact N-O 3.39Å; E27-T545 PolarHBondContact O-N 3.04Å; E27-T545 PolarHBondContact O-OG1 2.96Å; E27-L547 HydrophobicContact CB-CD1 4.18Å
28V94Very high79.1Confident60 Ų6086.9 Ų86.936%0.36444%0.442SS..EExtended strand (participates in β ladder)trans-129.1126.9-176.2-171.60000109.4F30 T542 V543 V544V28-F30 HydrophobicContact CB-CE2 4.29Å; V28-F30 HydrophobicContact CB-CZ 4.31Å; V28-F30 HydrophobicContact CG1-CD2 4.42Å; V28-F30 HydrophobicContact CG1-CE1 3.91Å; V28-F30 HydrophobicContact CG1-CE2 3.71Å; V28-F30 HydrophobicContact CG1-CZ 3.42Å; V28-F30 VanDerWaalsContact CG1-CZ 3.42Å; V28-T542 HydrophobicContact CG1-CG2 3.5Å; V28-V543 WeakPolarHBondContact CA-O 3.25Å; V28-V544 HydrophobicContact CG1-CG2 4.24Å; V28-V544 HydrophobicContact CG2-CG1 4.32Å; V28-V544 HydrophobicContact CG2-CG2 4.2Å
29K94.1Very high81.6Confident59 Ų5977.5 Ų77.526%0.25741%0.409SS..EExtended strand (participates in β ladder)trans-118.1146.9171.3-71.2-178.3-176.7171.60110.2E27 A34 F88 T542 V543E27-K29 WeakPolarHBondContact OE1-CE 3.23Å; K29-A34 HydrophobicContact CB-CB 3.89Å; K29-F88 HydrophobicContact CB-CD1 4.16Å; K29-F88 HydrophobicContact CB-CE1 3.61Å; K29-F88 HydrophobicContact CB-CZ 4.05Å; K29-F88 HydrophobicContact CD-CD1 3.87Å; K29-F88 HydrophobicContact CD-CD2 3.84Å; K29-F88 HydrophobicContact CD-CE1 3.7Å; K29-F88 HydrophobicContact CD-CE2 3.67Å; K29-F88 HydrophobicContact CD-CG 3.95Å; K29-F88 HydrophobicContact CD-CZ 3.6Å; K29-F88 VanDerWaalsContact CE-CE2 3.44Å; K29-F88 HydrophobicContact CG-CD1 4.24Å; K29-F88 HydrophobicContact CG-CE1 3.6Å; K29-F88 HydrophobicContact CG-CE2 4.07Å; K29-F88 HydrophobicContact CG-CZ 3.51Å; K29-T542 WeakPolarHBondContact O-CA 3.45Å; K29-V543 PolarHBondContact N-O 3.4Å; K29-V543 PolarHBondContact O-N 3.22Å
30F93.8Very high84.1Confident128 Ų12874.7 Ų74.756%0.56139%0.392SS*.EExtended strand (participates in β ladder)trans-119.8152.4-175-59.3-86.4000111.3V28 A32 D33 E541 T542V28-F30 HydrophobicContact CB-CE2 4.29Å; V28-F30 HydrophobicContact CB-CZ 4.31Å; V28-F30 HydrophobicContact CG1-CD2 4.42Å; V28-F30 HydrophobicContact CG1-CE1 3.91Å; V28-F30 HydrophobicContact CG1-CE2 3.71Å; V28-F30 HydrophobicContact CG1-CZ 3.42Å; V28-F30 VanDerWaalsContact CG1-CZ 3.42Å; F30-A32 PolarHBondContact O-N 3.44Å; F30-D33 PolarHBondContact O-N 3.48Å; F30-E541 CarbonylContact C-O 3.29Å; F30-E541 WeakPolarHBondContact CA-O 3.32Å; F30-T542 HydrophobicContact CD1-CG2 3.72Å; F30-T542 VanDerWaalsContact CD1-OG1 3.28Å; F30-T542 WeakPolarHBondContact CD1-OG1 3.4Å; F30-T542 HydrophobicContact CE1-CG2 3.53Å; F30-T542 HydrophobicContact CZ-CG2 4.32Å
31G90.2Very high86.5Confident7 Ų768.3 Ų68.37%0.07236%0.359CS..Hα-helixtrans52.5-130.8167.900000115D33 A34 R35 E541G31-D33 VanDerWaalsContact C-N 3.34Å; G31-D33 PolarHBondContact O-N 3.32Å; G31-A34 PolarHBondContact O-N 3.37Å; G31-R35 VanDerWaalsContact C-CZ 3.5Å; G31-R35 WeakPolarHBondContact O-CG 3.34Å; G31-R35 PolarHBondContact O-N 3.12Å; G31-R35 VanDerWaalsContact O-N 3.11Å; G31-E541 WeakPolarHBondContact CA-OE1 3.47Å; G31-E541 PolarHBondContact N-O 2.87Å
32A90.1Very high88.8Confident46 Ų4660.2 Ų60.238%0.3832%0.322SS..Hα-helixtrans-60.9-39.4-173.400000112.8F30 A34 R35 S36F30-A32 PolarHBondContact O-N 3.44Å; A32-A34 VanDerWaalsContact C-N 3.33Å; A32-A34 PolarHBondContact O-N 3.42Å; A32-R35 PolarHBondContact O-N 2.99Å; A32-S36 WeakPolarHBondContact O-CB 3.19Å; A32-S36 PolarHBondContact O-N 3.42Å; A32-S36 PolarHBondContact O-OG 3.22Å
33D91.9Very high90.8Very high124 Ų12453.5 Ų53.566%0.66330%0.299SS*.Hα-helixtrans-63.4-41.1-179.2-66.8-18.4000111.7F30 G31 A37F30-D33 PolarHBondContact O-N 3.48Å; G31-D33 VanDerWaalsContact C-N 3.34Å; G31-D33 PolarHBondContact O-N 3.32Å; D33-A37 WeakPolarHBondContact O-CB 3.46Å; D33-A37 PolarHBondContact O-N 2.94Å; D33-A37 VanDerWaalsContact O-N 3.1Å
34A92.8Very high92.4Very high0 Ų051.5 Ų51.50%028%0.278CS..Hα-helixtrans-65.4-45175.200000111.4K29 G31 A32 A37 M38 V543K29-A34 HydrophobicContact CB-CB 3.89Å; G31-A34 PolarHBondContact O-N 3.37Å; A32-A34 VanDerWaalsContact C-N 3.33Å; A32-A34 PolarHBondContact O-N 3.42Å; A34-A37 PolarHBondContact O-N 3.39Å; A34-M38 WeakPolarHBondContact O-CG 3.48Å; A34-M38 PolarHBondContact O-N 2.89Å; A34-V543 HydrophobicContact CB-CB 4.22Å; A34-V543 HydrophobicContact CB-CG2 3.83Å
35R91.5Very high93.5Very high19 Ų1946.8 Ų46.87%0.07226%0.26CS..Hα-helixtrans-62.8-45.8178.3-71.8-172.1-77.2-88.55.8112.4G31 A32 A37 M38 L39 F126 A540 E541G31-R35 VanDerWaalsContact C-CZ 3.5Å; G31-R35 WeakPolarHBondContact O-CG 3.34Å; G31-R35 PolarHBondContact O-N 3.12Å; G31-R35 VanDerWaalsContact O-N 3.11Å; A32-R35 PolarHBondContact O-N 2.99Å; R35-A37 VanDerWaalsContact C-N 3.34Å; R35-A37 PolarHBondContact O-N 3.18Å; R35-M38 HydrophobicContact CG-CE 4.4Å; R35-M38 PolarHBondContact O-N 2.81Å; R35-L39 WeakPolarHBondContact O-CB 3.46Å; R35-L39 PolarHBondContact O-N 3.39Å; R35-F126 HydrophobicContact CB-CD1 3.96Å; R35-F126 HydrophobicContact CB-CE1 3.93Å; R35-F126 HydrophobicContact CB-CG 4.25Å; R35-F126 HydrophobicContact CB-CZ 4.23Å; R35-F126 HydrophobicContact CG-CD1 3.74Å; R35-F126 HydrophobicContact CG-CE1 3.53Å; R35-F126 HydrophobicContact CG-CZ 4.19Å; R35-A540 PolarHBondContact NH1-O 2.89Å; R35-E541 IonicContact CZ-OE2 3.56Å; R35-E541 IonicContact NH1-OE1 3.93Å; R35-E541 IonicContact NH1-OE2 2.63Å; R35-E541 PolarHBondContact NH1-OE2 3.23Å; R35-E541 IonicContact NH2-OE2 2.66Å
36S92.7Very high94Very high73 Ų7343.8 Ų43.851%0.5124%0.235SC..Hα-helixtrans-61.5-42.5177.5-680000111.6A32 L39 V40A32-S36 WeakPolarHBondContact O-CB 3.19Å; A32-S36 PolarHBondContact O-N 3.42Å; A32-S36 PolarHBondContact O-OG 3.22Å; S36-L39 PolarHBondContact O-N 3.31Å; S36-V40 WeakPolarHBondContact O-CG2 3.36Å; S36-V40 PolarHBondContact O-N 2.89Å; S36-V40 VanDerWaalsContact O-N 3.1Å
37A94.2Very high94.2Very high14 Ų1442.3 Ų42.312%0.11623%0.233CC..Hα-helixtrans-64.8-42.9176.900000112.4D33 A34 R35 V40 G41 F88 Q89D33-A37 WeakPolarHBondContact O-CB 3.46Å; D33-A37 PolarHBondContact O-N 2.94Å; D33-A37 VanDerWaalsContact O-N 3.1Å; A34-A37 PolarHBondContact O-N 3.39Å; R35-A37 VanDerWaalsContact C-N 3.34Å; R35-A37 PolarHBondContact O-N 3.18Å; A37-V40 PolarHBondContact O-N 3.43Å; A37-G41 PolarHBondContact O-N 3.02Å; A37-F88 HydrophobicContact CB-CB 3.65Å; A37-F88 HydrophobicContact CB-CG 4.49Å; A37-Q89 WeakPolarHBondContact O-CA 3.47Å; A37-Q89 VanDerWaalsContact O-CG 3.3Å; A37-Q89 WeakPolarHBondContact O-CG 3.32Å
38M94.6Very high94.5Very high4 Ų440.7 Ų40.72%0.0223%0.231CC..Hα-helixtrans-64.2-42.1174.7-71.1-175-64.800112A34 R35 V40 G41 V42 I91 F126 L537 A540 V543A34-M38 WeakPolarHBondContact O-CG 3.48Å; A34-M38 PolarHBondContact O-N 2.89Å; R35-M38 HydrophobicContact CG-CE 4.4Å; R35-M38 PolarHBondContact O-N 2.81Å; M38-V40 VanDerWaalsContact C-N 3.3Å; M38-V40 PolarHBondContact O-N 3.01Å; M38-G41 WeakPolarHBondContact O-CA 3.3Å; M38-G41 PolarHBondContact O-N 3.12Å; M38-V42 WeakPolarHBondContact O-CG2 3.46Å; M38-V42 PolarHBondContact O-N 2.85Å; M38-I91 HydrophobicContact CG-CG2 4.48Å; M38-I91 HydrophobicContact SD-CG2 4.09Å; M38-F126 HydrophobicContact CE-CZ 4.22Å; M38-L537 HydrophobicContact CB-CD1 4.45Å; M38-L537 HydrophobicContact CE-CD1 3.88Å; M38-L537 HydrophobicContact SD-CD1 3.59Å; M38-L537 VanDerWaalsContact SD-CD1 3.59Å; M38-A540 HydrophobicContact CE-CB 4.06Å; M38-V543 HydrophobicContact CE-CG2 3.66Å; M38-V543 HydrophobicContact CG-CG2 4.46Å; M38-V543 HydrophobicContact SD-CG2 3.58Å; M38-V543 VanDerWaalsContact SD-CG2 3.58Å
39L94.4Very high94.6Very high31 Ų3137.8 Ų37.816%0.16221%0.213CC..Hα-helixtrans-61.4-38.1179.8-177.559000112R35 S36 G41 V42 D43 K123 F126R35-L39 WeakPolarHBondContact O-CB 3.46Å; R35-L39 PolarHBondContact O-N 3.39Å; S36-L39 PolarHBondContact O-N 3.31Å; L39-G41 VanDerWaalsContact C-N 3.28Å; L39-G41 PolarHBondContact O-N 2.91Å; L39-V42 HydrophobicContact CD1-CB 4.46Å; L39-V42 HydrophobicContact CD1-CG1 4.48Å; L39-V42 WeakPolarHBondContact O-CB 3.43Å; L39-V42 PolarHBondContact O-N 3.45Å; L39-D43 WeakPolarHBondContact O-CB 3.32Å; L39-D43 PolarHBondContact O-N 3.29Å; L39-K123 HydrophobicContact CD1-CB 4.05Å; L39-K123 HydrophobicContact CD1-CG 4.41Å; L39-K123 HydrophobicContact CD2-CG 4.42Å; L39-F126 HydrophobicContact CB-CD2 3.92Å; L39-F126 HydrophobicContact CB-CE2 4Å; L39-F126 HydrophobicContact CD1-CD2 4.08Å; L39-F126 HydrophobicContact CD1-CE2 4.44Å; L39-F126 HydrophobicContact CD2-CD2 4.24Å; L39-F126 HydrophobicContact CG-CD2 4.3Å
40V96.4Very high94.8Very high64 Ų6435.4 Ų35.439%0.38820%0.204SC..Hα-helixtrans-58.4-42.4172.9170.50000111S36 A37 M38 D43 I44 Q89S36-V40 WeakPolarHBondContact O-CG2 3.36Å; S36-V40 PolarHBondContact O-N 2.89Å; S36-V40 VanDerWaalsContact O-N 3.1Å; A37-V40 PolarHBondContact O-N 3.43Å; M38-V40 VanDerWaalsContact C-N 3.3Å; M38-V40 PolarHBondContact O-N 3.01Å; V40-D43 PolarHBondContact O-N 3.29Å; V40-I44 HydrophobicContact CG1-CD1 3.83Å; V40-I44 HydrophobicContact CG1-CG1 4.5Å; V40-I44 WeakPolarHBondContact O-CD1 3.5Å; V40-I44 VanDerWaalsContact O-CG1 3.24Å; V40-I44 WeakPolarHBondContact O-CG1 3.35Å; V40-I44 PolarHBondContact O-N 3.05Å; V40-Q89 HydrophobicContact CB-CG 4.23Å; V40-Q89 HydrophobicContact CG1-CG 4.07Å
41G96Very high94.9Very high0 Ų031.6 Ų31.60%019%0.192CC..Hα-helixtrans-66.5-39.6176.300000113.9A37 M38 L39 L45 Q89A37-G41 PolarHBondContact O-N 3.02Å; M38-G41 WeakPolarHBondContact O-CA 3.3Å; M38-G41 PolarHBondContact O-N 3.12Å; L39-G41 VanDerWaalsContact C-N 3.28Å; L39-G41 PolarHBondContact O-N 2.91Å; G41-L45 PolarHBondContact O-N 3.17Å; G41-Q89 WeakPolarHBondContact CA-O 3.34Å
42V96Very high95.1Very high0 Ų031.6 Ų31.60%019%0.19CC..Hα-helixtrans-59.9-48.6173168.60000110.7M38 L39 L45 A46 V96 R119 L537M38-V42 WeakPolarHBondContact O-CG2 3.46Å; M38-V42 PolarHBondContact O-N 2.85Å; L39-V42 HydrophobicContact CD1-CB 4.46Å; L39-V42 HydrophobicContact CD1-CG1 4.48Å; L39-V42 WeakPolarHBondContact O-CB 3.43Å; L39-V42 PolarHBondContact O-N 3.45Å; V42-L45 PolarHBondContact O-N 3.48Å; V42-A46 WeakPolarHBondContact O-CB 3.29Å; V42-A46 PolarHBondContact O-N 3.36Å; V42-V96 HydrophobicContact CB-CG2 4.14Å; V42-V96 HydrophobicContact CG1-CG2 3.87Å; V42-V96 HydrophobicContact CG2-CG2 3.76Å; V42-R119 HydrophobicContact CG1-CB 4.14Å; V42-R119 HydrophobicContact CG1-CG 4.2Å; V42-L537 HydrophobicContact CG2-CD2 3.9Å
43D97Very high95.4Very high34 Ų3429.9 Ų29.918%0.18217%0.174CC..Hα-helixtrans-63.4-45.6-179.5-80.4-23000111.1L39 V40 L45 A46 D47 R119L39-D43 WeakPolarHBondContact O-CB 3.32Å; L39-D43 PolarHBondContact O-N 3.29Å; V40-D43 PolarHBondContact O-N 3.29Å; D43-L45 PolarHBondContact O-N 2.87Å; D43-A46 PolarHBondContact O-N 3.13Å; D43-D47 VanDerWaalsContact O-CB 3.24Å; D43-D47 WeakPolarHBondContact O-CB 3.3Å; D43-D47 PolarHBondContact O-N 3.32Å; D43-R119 WeakPolarHBondContact OD1-CD 3.4Å; D43-R119 WeakPolarHBondContact OD1-CG 3.38Å
44I97.1Very high95.4Very high71 Ų7125 Ų2536%0.36415%0.153SC..Hα-helixtrans-57.6-48.8178.2-70.4164.7000111.5V40 A48 L84V40-I44 HydrophobicContact CG1-CD1 3.83Å; V40-I44 HydrophobicContact CG1-CG1 4.5Å; V40-I44 WeakPolarHBondContact O-CD1 3.5Å; V40-I44 VanDerWaalsContact O-CG1 3.24Å; V40-I44 WeakPolarHBondContact O-CG1 3.35Å; V40-I44 PolarHBondContact O-N 3.05Å; I44-A48 PolarHBondContact O-N 3.08Å; I44-L84 HydrophobicContact CB-CD1 4.49Å; I44-L84 HydrophobicContact CD1-CD1 4.19Å; I44-L84 HydrophobicContact CG2-CD2 3.96Å
45L96.4Very high95.3Very high0 Ų027.4 Ų27.40%017%0.169CC..Hα-helixtrans-66.6-46.9-179.4-176.7153.1000111G41 V42 D43 D47 A48 V49 A79 I82 A93 V96 Q97 T115G41-L45 PolarHBondContact O-N 3.17Å; V42-L45 PolarHBondContact O-N 3.48Å; D43-L45 PolarHBondContact O-N 2.87Å; L45-D47 PolarHBondContact O-N 2.85Å; L45-A48 PolarHBondContact O-N 3.08Å; L45-V49 HydrophobicContact CD2-CG2 4Å; L45-V49 WeakPolarHBondContact O-CG2 3.45Å; L45-V49 PolarHBondContact O-N 3.46Å; L45-A79 HydrophobicContact CD1-CB 4.25Å; L45-A79 HydrophobicContact CD2-CB 4.15Å; L45-A79 HydrophobicContact CG-CB 4.42Å; L45-I82 HydrophobicContact CB-CD1 4.43Å; L45-I82 HydrophobicContact CG-CD1 4.17Å; L45-A93 HydrophobicContact CB-CB 4.29Å; L45-A93 HydrophobicContact CD1-CB 4.02Å; L45-A93 VanDerWaalsContact CD1-O 3.26Å; L45-A93 WeakPolarHBondContact CD1-O 3.49Å; L45-V96 HydrophobicContact CD2-CB 4Å; L45-V96 HydrophobicContact CD2-CG1 3.58Å; L45-Q97 HydrophobicContact CD1-CB 4.16Å; L45-T115 HydrophobicContact CD2-CG2 3.84Å
46A96.9Very high95.4Very high0 Ų030.2 Ų30.20%018%0.182CC..Hα-helixtrans-68.4-33.1-177.600000112.8V42 D43 V49 A50 T115 R119V42-A46 WeakPolarHBondContact O-CB 3.29Å; V42-A46 PolarHBondContact O-N 3.36Å; D43-A46 PolarHBondContact O-N 3.13Å; A46-V49 PolarHBondContact O-N 3.14Å; A46-A50 WeakPolarHBondContact O-CB 3.43Å; A46-A50 PolarHBondContact O-N 3.15Å; A46-T115 HydrophobicContact CB-CG2 3.88Å; A46-R119 HydrophobicContact CB-CB 3.74Å; A46-R119 HydrophobicContact CB-CG 4.05Å
47D97.5Very high95.4Very high88 Ų8827 Ų2747%0.47116%0.16SC..Hα-helixtrans-66.2-40.4173.9-73.7-11.9000111.4D43 L45 R119D43-D47 VanDerWaalsContact O-CB 3.24Å; D43-D47 WeakPolarHBondContact O-CB 3.3Å; D43-D47 PolarHBondContact O-N 3.32Å; L45-D47 PolarHBondContact O-N 2.85Å; D47-R119 IonicContact OD1-CZ 3.39Å; D47-R119 IonicContact OD1-NH1 3.05Å; D47-R119 PolarHBondContact OD1-NH1 3.38Å
48A97.2Very high95.4Very high32 Ų3233.5 Ų33.526%0.26418%0.182SC..Hα-helixtrans-67.7-34.1175.900000112.9I44 L45 V51 V78 I82I44-A48 PolarHBondContact O-N 3.08Å; L45-A48 PolarHBondContact O-N 3.08Å; A48-V51 VanDerWaalsContact O-CG2 3.24Å; A48-V51 WeakPolarHBondContact O-CG2 3.32Å; A48-V78 HydrophobicContact CB-CG1 4.26Å; A48-I82 HydrophobicContact CB-CD1 3.57Å
49V96.6Very high95.3Very high0 Ų037.3 Ų37.30%020%0.202CC..Hα-helixtrans-81.4-41.5178.4171.50000111.5L45 A46 V51 T52 V78 A79 T112 T115L45-V49 HydrophobicContact CD2-CG2 4Å; L45-V49 WeakPolarHBondContact O-CG2 3.45Å; L45-V49 PolarHBondContact O-N 3.46Å; A46-V49 PolarHBondContact O-N 3.14Å; V49-V51 PolarHBondContact O-N 3.06Å; V49-V51 VanDerWaalsContact O-N 3.1Å; V49-T52 PolarHBondContact O-N 2.84Å; V49-T52 PolarHBondContact O-OG1 2.91Å; V49-T52 VanDerWaalsContact O-OG1 3.07Å; V49-V78 HydrophobicContact CG2-CB 4.04Å; V49-V78 HydrophobicContact CG2-CG1 3.74Å; V49-A79 HydrophobicContact CG2-CB 4.13Å; V49-T112 HydrophobicContact CG1-CG2 3.77Å; V49-T112 WeakPolarHBondContact O-CG2 3.35Å; V49-T115 HydrophobicContact CB-CG2 3.89Å; V49-T115 HydrophobicContact CG1-CG2 3.81Å; V49-T115 HydrophobicContact CG2-CG2 4.32Å
50A96.9Very high95.3Very high8 Ų837.2 Ų37.27%0.06620%0.203CC..Hα-helixtrans-60.2-27.5-173.300000114.2A46 T52 M53 V116 T476 N480A46-A50 WeakPolarHBondContact O-CB 3.43Å; A46-A50 PolarHBondContact O-N 3.15Å; A50-T52 PolarHBondContact O-N 3.01Å; A50-M53 WeakPolarHBondContact O-CB 3.27Å; A50-M53 PolarHBondContact O-N 3.19Å; A50-V116 HydrophobicContact CB-CG1 3.72Å; A50-T476 HydrophobicContact CB-CG2 4.12Å; A50-N480 PolarHBondContact O-ND2 3.32Å
51V97Very high95.2Very high49 Ų4940 Ų4030%0.29721%0.214SC..THydrogen-bonded Turntrans-65.2-18.3177.9-65.50000113.2A48 V49 G57 R58 V60A48-V51 VanDerWaalsContact O-CG2 3.24Å; A48-V51 WeakPolarHBondContact O-CG2 3.32Å; V49-V51 PolarHBondContact O-N 3.06Å; V49-V51 VanDerWaalsContact O-N 3.1Å; V51-G57 CarbonylContact O-C 3.46Å; V51-G57 WeakPolarHBondContact O-CA 3.36Å; V51-R58 PolarHBondContact O-N 2.97Å; V51-V60 HydrophobicContact CG2-CG2 3.94Å
52T95Very high95Very high6 Ų641.6 Ų41.64%0.03722%0.223CC..THydrogen-bonded Turntrans-84.6-11.1178.777.70000113.4V49 A50 V60 K73 V78 T112V49-T52 PolarHBondContact O-N 2.84Å; V49-T52 PolarHBondContact O-OG1 2.91Å; V49-T52 VanDerWaalsContact O-OG1 3.07Å; A50-T52 PolarHBondContact O-N 3.01Å; T52-V60 HydrophobicContact CG2-CG2 3.79Å; T52-K73 WeakPolarHBondContact CB-O 3.27Å; T52-K73 PolarHBondContact OG1-O 3.31Å; T52-V78 HydrophobicContact CG2-CG2 4.35Å; T52-T112 PolarHBondContact OG1-OG1 3.45Å
53M95.1Very high94.8Very high10 Ų1050 Ų505%0.04926%0.262CS..  trans-69.9133.2-173.1-170.8175.6-76.100113.2A50 T112 V116 P473 T476 I477 N480A50-M53 WeakPolarHBondContact O-CB 3.27Å; A50-M53 PolarHBondContact O-N 3.19Å; M53-T112 HydrophobicContact CB-CG2 3.75Å; M53-T112 HydrophobicContact CE-CG2 3.73Å; M53-T112 WeakPolarHBondContact CE-O 3.11Å; M53-T112 HydrophobicContact CG-CG2 4.37Å; M53-V116 HydrophobicContact CE-CB 4.3Å; M53-V116 HydrophobicContact CE-CG1 3.87Å; M53-V116 HydrophobicContact CE-CG2 3.43Å; M53-V116 VanDerWaalsContact CE-CG2 3.43Å; M53-V116 HydrophobicContact SD-CG2 4.45Å; M53-P473 HydrophobicContact SD-CB 4.49Å; M53-T476 HydrophobicContact CB-CG2 4.08Å; M53-T476 HydrophobicContact CG-CG2 4.46Å; M53-T476 HydrophobicContact SD-CG2 3.78Å; M53-I477 HydrophobicContact CG-CD1 4.5Å; M53-I477 HydrophobicContact CG-CG1 3.72Å; M53-I477 HydrophobicContact SD-CG1 3.89Å; M53-N480 PolarHBondContact O-ND2 3.05Å
54G92.4Very high94.1Very high21 Ų2150.1 Ų50.122%0.21627%0.265CS..SBendtrans83.9174.4171.800000114K56 G57G54-K56 VanDerWaalsContact C-N 3.29Å; G54-K56 PolarHBondContact O-N 3.46Å; G54-G57 WeakPolarHBondContact O-CA 3.36Å; G54-G57 PolarHBondContact O-N 3.25Å
55P91Very high93.3Very high51 Ų5152.1 Ų52.133%0.33129%0.286SS..THydrogen-bonded Turntrans-65.9-31.3-172.927.1-36.1000113G57 A503 Q504P55-G57 VanDerWaalsContact C-N 3.3Å; P55-A503 HydrophobicContact CG-CB 4.01Å; P55-Q504 HydrophobicContact CB-CB 4.23Å; P55-Q504 HydrophobicContact CG-CB 4.14Å
56K93.3Very high92.4Very high79 Ų7960.9 Ų60.934%0.34332%0.319SS..THydrogen-bonded Turntrans-89.610.9172.7-68.3-178.2176.2165.40113.5G54 A481 A503G54-K56 VanDerWaalsContact C-N 3.29Å; G54-K56 PolarHBondContact O-N 3.46Å; K56-A481 HydrophobicContact CB-CB 4.45Å; K56-A481 HydrophobicContact CD-CB 3.77Å; K56-A503 WeakPolarHBondContact CD-O 3.3Å; K56-A503 WeakPolarHBondContact CE-O 3.38Å; K56-A503 PolarHBondContact NZ-O 3.32Å; K56-A503 VanDerWaalsContact NZ-O 3.15Å
57G92.7Very high91.2Very high6 Ų664.4 Ų64.46%0.06233%0.334CS..PPolyproline II helixtrans-60.5146.4171.800000112V51 G54 P55 K73V51-G57 CarbonylContact O-C 3.46Å; V51-G57 WeakPolarHBondContact O-CA 3.36Å; G54-G57 WeakPolarHBondContact O-CA 3.36Å; G54-G57 PolarHBondContact O-N 3.25Å; P55-G57 VanDerWaalsContact C-N 3.3Å; G57-K73 VanDerWaalsContact O-CE 3.29Å; G57-K73 WeakPolarHBondContact O-CE 3.28Å; G57-K73 PolarHBondContact O-NZ 2.94Å
58R94.1Very high90.5Very high149 Ų14964.4 Ų64.456%0.56234%0.341SS*.PPolyproline II helixtrans-100156-175.3-59.2-176.5-174.3109.44.3111.1V51V51-R58 PolarHBondContact O-N 2.97Å
59N92.5Very high90Very high85 Ų8566 Ų6646%0.45535%0.349SS..PPolyproline II helixtrans-77.2148.4175.8-59.6-24.1000110.9I71 T72 K73N59-I71 HydrophobicContact CB-CG2 3.62Å; N59-T72 WeakPolarHBondContact CA-O 3.45Å; N59-K73 WeakPolarHBondContact OD1-CE 3.29Å; N59-K73 WeakPolarHBondContact OD1-CG 3.29Å
60V94.8Very high89.6Confident29 Ų2968.9 Ų68.918%0.17636%0.362CS..EExtended strand (participates in β ladder)trans-108.8137.8169.1177.70000108.8V51 T52 I62 T72 V78V51-V60 HydrophobicContact CG2-CG2 3.94Å; T52-V60 HydrophobicContact CG2-CG2 3.79Å; V60-I62 HydrophobicContact CG1-CG1 4.29Å; V60-T72 PolarHBondContact N-O 3.42Å; V60-T72 PolarHBondContact O-N 3.37Å; V60-V78 HydrophobicContact CB-CG1 4.5Å; V60-V78 HydrophobicContact CB-CG2 3.65Å; V60-V78 HydrophobicContact CG1-CG1 4.11Å; V60-V78 HydrophobicContact CG1-CG2 3.95Å; V60-V78 HydrophobicContact CG2-CG1 4.33Å; V60-V78 HydrophobicContact CG2-CG2 3.88Å
61I94.1Very high89.3Confident121 Ų12171.4 Ų71.462%0.62137%0.373SS*.EExtended strand (participates in β ladder)trans-102.9124.5177.6-54.9179.8000108.2P69 K70 I71I61-P69 HydrophobicContact CG2-CB 3.6Å; I61-K70 WeakPolarHBondContact CA-O 3.32Å; I61-I71 HydrophobicContact CG1-CG1 4.36Å
62I92Very high89Confident35 Ų3569.1 Ų69.118%0.17936%0.359CS..EExtended strand (participates in β ladder)trans-114.9123.1179.8-54.1173.8000108.4V60 P69 K70 T72 T77V60-I62 HydrophobicContact CG1-CG1 4.29Å; I62-P69 CarbonylContact O-C 3.55Å; I62-P69 WeakPolarHBondContact O-CA 3.37Å; I62-K70 PolarHBondContact N-O 2.89Å; I62-K70 PolarHBondContact O-N 3.48Å; I62-T72 HydrophobicContact CD1-CG2 4.03Å; I62-T77 HydrophobicContact CD1-CG2 3.89Å
63E91.3Very high88.7Confident175 Ų17571 Ų7182%0.81837%0.367SS*.  trans-63.3137.3173.8-176.6179.7-154.400110.4
64S81.6Confident88.3Confident37 Ų3771.3 Ų71.326%0.25937%0.369SS..  trans-114.5135.8169.9-174.10000108.7W66S64-W66 PolarHBondContact O-N 3.49Å; S64-W66 VanDerWaalsContact O-N 3.16Å
65S81.7Confident88.2Confident114 Ų11470.4 Ų70.480%0.79736%0.359SS*.SBendtrans-68.9-14.6-173.8-44.30000114.3
66W77.2Confident88.1Confident183 Ų18368.2 Ų68.269%0.69335%0.345SS*.SBendtrans-1390.8-176.959.991.7000114.4S64S64-W66 PolarHBondContact O-N 3.49Å; S64-W66 VanDerWaalsContact O-N 3.16Å
67K71.6Confident87.9Confident74 Ų7465.8 Ų65.832%0.32234%0.337SS..SBendtrans-132.2169.4-177-76.2174.8-176.8175.40111.4E230K67-E230 WeakPolarHBondContact CE-OE2 3.43Å; K67-E230 IonicContact NZ-OE2 2.83Å; K67-E230 PolarHBondContact NZ-OE2 2.99Å
68S82.2Confident88Confident89 Ų8965.6 Ų65.662%0.62234%0.335SS*.SBendtrans-52.4143.4164.7-560000110.5
69P87.6Confident87.9Confident66 Ų6658.5 Ų58.543%0.42931%0.308SS..PPolyproline II helixtrans-53.8140177.6-25.733.9000112.1I61 I62I61-P69 HydrophobicContact CG2-CB 3.6Å; I62-P69 CarbonylContact O-C 3.55Å; I62-P69 WeakPolarHBondContact O-CA 3.37Å
70K87.4Confident87.9Confident60 Ų6059.8 Ų59.826%0.26131%0.309SS..EExtended strand (participates in β ladder)trans-80.6129.2174.3-171.5176.7-178.4-172.90108.7I61 I62 T77 D417I61-K70 WeakPolarHBondContact CA-O 3.32Å; I62-K70 PolarHBondContact N-O 2.89Å; I62-K70 PolarHBondContact O-N 3.48Å; K70-T77 HydrophobicContact CD-CG2 3.83Å; K70-T77 PolarHBondContact NZ-OG1 3.09Å; K70-D417 WeakPolarHBondContact CE-OD2 3.45Å; K70-D417 IonicContact NZ-OD1 2.69Å; K70-D417 IonicContact NZ-OD2 3.5Å; K70-D417 PolarHBondContact NZ-OD2 2.96Å
71I91.1Very high87.7Confident60 Ų6060.5 Ų60.531%0.30832%0.323SS..EExtended strand (participates in β ladder)trans-102.7127.1169.9-57-179.5000106.8N59 I61 V410N59-I71 HydrophobicContact CB-CG2 3.62Å; I61-I71 HydrophobicContact CG1-CG1 4.36Å; I71-V410 HydrophobicContact CB-CG1 3.91Å; I71-V410 HydrophobicContact CD1-CG1 3.87Å; I71-V410 HydrophobicContact CG1-CG1 3.74Å
72T89.7Confident87.7Confident1 Ų156 Ų561%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-148.2153-176.8-170.90000112.4N59 V60 I62 D74 T77 V78N59-T72 WeakPolarHBondContact CA-O 3.45Å; V60-T72 PolarHBondContact N-O 3.42Å; V60-T72 PolarHBondContact O-N 3.37Å; I62-T72 HydrophobicContact CD1-CG2 4.03Å; T72-D74 WeakPolarHBondContact OG1-CB 2.91Å; T72-D74 PolarHBondContact OG1-N 2.96Å; T72-T77 HydrophobicContact CG2-CG2 3.79Å; T72-V78 HydrophobicContact CG2-CG2 3.76Å
73K89.6Confident87.8Confident45 Ų4561 Ų6120%0.19632%0.322CS..  trans-107.2-6163.9-69.2-170.7172-167.30112.8T52 G57 N59 G75 N175T52-K73 WeakPolarHBondContact CB-O 3.27Å; T52-K73 PolarHBondContact OG1-O 3.31Å; G57-K73 VanDerWaalsContact O-CE 3.29Å; G57-K73 WeakPolarHBondContact O-CE 3.28Å; G57-K73 PolarHBondContact O-NZ 2.94Å; N59-K73 WeakPolarHBondContact OD1-CE 3.29Å; N59-K73 WeakPolarHBondContact OD1-CG 3.29Å; K73-G75 PolarHBondContact O-N 3.44Å; K73-N175 WeakPolarHBondContact CD-ND2 3.21Å
74D87.2Confident88Confident18 Ų1853.9 Ų53.910%0.09629%0.29CS..  trans-72.2119-178.1166.729.8000110.4T72 V76 T77 V78T72-D74 WeakPolarHBondContact OG1-CB 2.91Å; T72-D74 PolarHBondContact OG1-N 2.96Å; D74-V76 VanDerWaalsContact C-N 3.29Å; D74-V76 PolarHBondContact O-N 2.95Å; D74-V76 WeakPolarHBondContact OD1-CG1 3.39Å; D74-V76 PolarHBondContact OD1-N 3.38Å; D74-V76 WeakPolarHBondContact OD2-CG1 3.27Å; D74-T77 PolarHBondContact O-N 3.44Å; D74-T77 VanDerWaalsContact OD2-CB 3.24Å; D74-T77 WeakPolarHBondContact OD2-CB 3.03Å; D74-T77 PolarHBondContact OD2-N 3.34Å; D74-T77 PolarHBondContact OD2-OG1 2.89Å; D74-V78 WeakPolarHBondContact O-CG2 3.27Å; D74-V78 PolarHBondContact O-N 2.8Å; D74-V78 VanDerWaalsContact O-N 3.08Å
75G89.4Confident88.6Confident1 Ų162.1 Ų62.11%0.0132%0.321CS..Hα-helixtrans-60.7-34.2-179.200000113.5K73 V78 A79 T112K73-G75 PolarHBondContact O-N 3.44Å; G75-V78 PolarHBondContact O-N 2.83Å; G75-A79 WeakPolarHBondContact O-CB 3.47Å; G75-A79 PolarHBondContact O-N 3.2Å; G75-T112 WeakPolarHBondContact CA-OG1 3.27Å
76V88.6Confident89.2Confident5 Ų559.3 Ų59.33%0.0330%0.297CS..Hα-helixtrans-75.3-37.2179.871.70000111.5D74 V78 A79 K80 A100 N101 N104 T111D74-V76 VanDerWaalsContact C-N 3.29Å; D74-V76 PolarHBondContact O-N 2.95Å; D74-V76 WeakPolarHBondContact OD1-CG1 3.39Å; D74-V76 PolarHBondContact OD1-N 3.38Å; D74-V76 WeakPolarHBondContact OD2-CG1 3.27Å; V76-V78 VanDerWaalsContact C-N 3.33Å; V76-V78 PolarHBondContact O-N 2.95Å; V76-A79 PolarHBondContact O-N 3.47Å; V76-K80 HydrophobicContact CG2-CD 4.22Å; V76-K80 HydrophobicContact CG2-CG 4.43Å; V76-K80 WeakPolarHBondContact O-CB 3.42Å; V76-K80 VanDerWaalsContact O-CG 3.29Å; V76-K80 WeakPolarHBondContact O-CG 3.33Å; V76-K80 PolarHBondContact O-N 2.87Å; V76-A100 HydrophobicContact CB-CB 4.45Å; V76-A100 HydrophobicContact CG2-CB 4.31Å; V76-N101 WeakPolarHBondContact CG2-OD1 3.13Å; V76-N104 HydrophobicContact CB-CB 4.46Å; V76-N104 HydrophobicContact CG1-CB 4.27Å; V76-N104 HydrophobicContact CG2-CB 4.43Å; V76-T111 HydrophobicContact CB-CG2 3.93Å; V76-T111 HydrophobicContact CG1-CG2 4.26Å; V76-T111 PolarHBondContact N-OG1 3.06Å
77T89.6Confident90Very high28 Ų2854.7 Ų54.717%0.17228%0.282CS..Hα-helixtrans-60.8-43.2171.8-65.80000111I62 K70 T72 D74 K80 G81I62-T77 HydrophobicContact CD1-CG2 3.89Å; K70-T77 HydrophobicContact CD-CG2 3.83Å; K70-T77 PolarHBondContact NZ-OG1 3.09Å; T72-T77 HydrophobicContact CG2-CG2 3.79Å; D74-T77 PolarHBondContact O-N 3.44Å; D74-T77 VanDerWaalsContact OD2-CB 3.24Å; D74-T77 WeakPolarHBondContact OD2-CB 3.03Å; D74-T77 PolarHBondContact OD2-N 3.34Å; D74-T77 PolarHBondContact OD2-OG1 2.89Å; T77-K80 PolarHBondContact O-N 3.39Å; T77-G81 PolarHBondContact O-N 2.88Å; T77-G81 VanDerWaalsContact O-N 3.07Å
78V94Very high91.1Very high3 Ų351.2 Ų51.22%0.01827%0.267CS..Hα-helixtrans-63.7-49176176.50000111.3A48 V49 T52 V60 T72 D74 G75 V76 K80 G81 I82A48-V78 HydrophobicContact CB-CG1 4.26Å; V49-V78 HydrophobicContact CG2-CB 4.04Å; V49-V78 HydrophobicContact CG2-CG1 3.74Å; T52-V78 HydrophobicContact CG2-CG2 4.35Å; V60-V78 HydrophobicContact CB-CG1 4.5Å; V60-V78 HydrophobicContact CB-CG2 3.65Å; V60-V78 HydrophobicContact CG1-CG1 4.11Å; V60-V78 HydrophobicContact CG1-CG2 3.95Å; V60-V78 HydrophobicContact CG2-CG1 4.33Å; V60-V78 HydrophobicContact CG2-CG2 3.88Å; T72-V78 HydrophobicContact CG2-CG2 3.76Å; D74-V78 WeakPolarHBondContact O-CG2 3.27Å; D74-V78 PolarHBondContact O-N 2.8Å; D74-V78 VanDerWaalsContact O-N 3.08Å; G75-V78 PolarHBondContact O-N 2.83Å; V76-V78 VanDerWaalsContact C-N 3.33Å; V76-V78 PolarHBondContact O-N 2.95Å; V78-K80 VanDerWaalsContact C-N 3.26Å; V78-K80 PolarHBondContact O-N 2.81Å; V78-G81 PolarHBondContact O-N 2.96Å; V78-I82 HydrophobicContact CG1-CD1 4.25Å; V78-I82 WeakPolarHBondContact O-CG1 3.44Å
79A93.6Very high91.8Very high0 Ų049.7 Ų49.70%025%0.249CC..Hα-helixtrans-58.7-38.2177.900000112.1L45 V49 G75 V76 G81 I82 Q97 A100L45-A79 HydrophobicContact CD1-CB 4.25Å; L45-A79 HydrophobicContact CD2-CB 4.15Å; L45-A79 HydrophobicContact CG-CB 4.42Å; V49-A79 HydrophobicContact CG2-CB 4.13Å; G75-A79 WeakPolarHBondContact O-CB 3.47Å; G75-A79 PolarHBondContact O-N 3.2Å; V76-A79 PolarHBondContact O-N 3.47Å; A79-G81 VanDerWaalsContact C-N 3.33Å; A79-I82 PolarHBondContact O-N 2.97Å; A79-Q97 HydrophobicContact CB-CG 4.22Å; A79-A100 HydrophobicContact CB-CB 4.25Å
80K91.6Very high92.2Very high111 Ų11147.3 Ų47.348%0.48323%0.233SC..Hα-helixtrans-67.9-29175.2-76174.1-178.1170.50114.4V76 T77 V78 I82 Q97 N101V76-K80 HydrophobicContact CG2-CD 4.22Å; V76-K80 HydrophobicContact CG2-CG 4.43Å; V76-K80 WeakPolarHBondContact O-CB 3.42Å; V76-K80 VanDerWaalsContact O-CG 3.29Å; V76-K80 WeakPolarHBondContact O-CG 3.33Å; V76-K80 PolarHBondContact O-N 2.87Å; T77-K80 PolarHBondContact O-N 3.39Å; V78-K80 VanDerWaalsContact C-N 3.26Å; V78-K80 PolarHBondContact O-N 2.81Å; K80-I82 PolarHBondContact O-N 2.7Å; K80-Q97 VanDerWaalsContact CA-NE2 3.3Å; K80-N101 WeakPolarHBondContact CE-OD1 3.27Å
81G91.4Very high92.5Very high44 Ų4447 Ų4745%0.45423%0.234SC..THydrogen-bonded Turntrans-74.1-7.9176.800000114.4T77 V78 A79T77-G81 PolarHBondContact O-N 2.88Å; T77-G81 VanDerWaalsContact O-N 3.07Å; V78-G81 PolarHBondContact O-N 2.96Å; A79-G81 VanDerWaalsContact C-N 3.33Å
82I93.9Very high92.7Very high27 Ų2744.1 Ų44.114%0.13822%0.219CC..  trans-103.1121.2-173.8-62.4169.3000110.7L45 A48 V78 A79 K80 L84L45-I82 HydrophobicContact CB-CD1 4.43Å; L45-I82 HydrophobicContact CG-CD1 4.17Å; A48-I82 HydrophobicContact CB-CD1 3.57Å; V78-I82 HydrophobicContact CG1-CD1 4.25Å; V78-I82 WeakPolarHBondContact O-CG1 3.44Å; A79-I82 PolarHBondContact O-N 2.97Å; K80-I82 PolarHBondContact O-N 2.7Å; I82-L84 HydrophobicContact CG2-CD2 3.94Å; I82-L84 HydrophobicContact CG2-CG 4.33Å
83E93.7Very high93Very high139 Ų13944.1 Ų44.165%0.6522%0.219SC*.  trans-134.8130.5166.6-173.6171.3-175.200108.9
84L95.3Very high93.2Very high27 Ų2745 Ų4514%0.14122%0.223CC..  trans-101.2140.9-174.8-55.3-179.4000110.8I44 I82 Q89 N90 A93I44-L84 HydrophobicContact CB-CD1 4.49Å; I44-L84 HydrophobicContact CD1-CD1 4.19Å; I44-L84 HydrophobicContact CG2-CD2 3.96Å; I82-L84 HydrophobicContact CG2-CD2 3.94Å; I82-L84 HydrophobicContact CG2-CG 4.33Å; L84-Q89 HydrophobicContact CB-CB 4.36Å; L84-Q89 HydrophobicContact CD1-CB 3.76Å; L84-N90 HydrophobicContact CB-CB 4.06Å; L84-N90 PolarHBondContact N-OD1 2.86Å; L84-N90 WeakPolarHBondContact O-CB 3.18Å; L84-A93 HydrophobicContact CD1-CB 3.91Å; L84-A93 HydrophobicContact CG-CB 4.29Å
85K94.4Very high93.5Very high209 Ų20946.7 Ų46.791%0.90923%0.232SC*.SBendtrans-63.8-43.8179.6-176.3177-179.21770112K87K85-K87 PolarHBondContact O-N 2.91Å
86D94.5Very high93.7Very high56 Ų5646.9 Ų46.930%0.29923%0.233SC..SBendtrans-72126.1176.1-179.8-87.9000110.1F88 Q89 N90D86-F88 PolarHBondContact O-N 2.77Å; D86-F88 WeakPolarHBondContact OD1-CA 3.45Å; D86-F88 WeakPolarHBondContact OD1-CB 3.3Å; D86-F88 PolarHBondContact OD1-N 3.31Å; D86-Q89 HydrophobicContact CB-CB 4.08Å; D86-Q89 HydrophobicContact CB-CG 3.99Å; D86-Q89 PolarHBondContact O-N 3.08Å; D86-Q89 WeakPolarHBondContact OD1-CG 3.09Å; D86-Q89 PolarHBondContact OD1-N 3.43Å; D86-N90 VanDerWaalsContact O-CB 3.26Å; D86-N90 WeakPolarHBondContact O-CB 3.38Å; D86-N90 PolarHBondContact O-N 2.87Å
87K94.3Very high94Very high86 Ų8647.6 Ų47.637%0.37424%0.236SC..Hα-helixtrans-68.7-32.3-173.6-65.2-62.8-176-173.30113.2K85 N90 I91 T545K85-K87 PolarHBondContact O-N 2.91Å; K87-N90 PolarHBondContact O-N 3.49Å; K87-I91 WeakPolarHBondContact O-CG1 3.29Å; K87-I91 PolarHBondContact O-N 3.31Å; K87-T545 HydrophobicContact CB-CG2 3.62Å
88F94.5Very high94.1Very high1 Ų149.6 Ų49.60%0.00425%0.245CC..Hα-helixtrans-73.3-42.9179.3-62.2-86000110.9E27 K29 A37 D86 N90 I91 G92 V543 T545E27-F88 HydrophobicContact CB-CZ 4.24Å; E27-F88 HydrophobicContact CG-CE2 4.14Å; E27-F88 HydrophobicContact CG-CZ 3.97Å; E27-F88 WeakPolarHBondContact OE1-CE2 3.47Å; K29-F88 HydrophobicContact CB-CD1 4.16Å; K29-F88 HydrophobicContact CB-CE1 3.61Å; K29-F88 HydrophobicContact CB-CZ 4.05Å; K29-F88 HydrophobicContact CD-CD1 3.87Å; K29-F88 HydrophobicContact CD-CD2 3.84Å; K29-F88 HydrophobicContact CD-CE1 3.7Å; K29-F88 HydrophobicContact CD-CE2 3.67Å; K29-F88 HydrophobicContact CD-CG 3.95Å; K29-F88 HydrophobicContact CD-CZ 3.6Å; K29-F88 VanDerWaalsContact CE-CE2 3.44Å; K29-F88 HydrophobicContact CG-CD1 4.24Å; K29-F88 HydrophobicContact CG-CE1 3.6Å; K29-F88 HydrophobicContact CG-CE2 4.07Å; K29-F88 HydrophobicContact CG-CZ 3.51Å; A37-F88 HydrophobicContact CB-CB 3.65Å; A37-F88 HydrophobicContact CB-CG 4.49Å; D86-F88 PolarHBondContact O-N 2.77Å; D86-F88 WeakPolarHBondContact OD1-CA 3.45Å; D86-F88 WeakPolarHBondContact OD1-CB 3.3Å; D86-F88 PolarHBondContact OD1-N 3.31Å; F88-N90 VanDerWaalsContact C-N 3.34Å; F88-I91 PolarHBondContact O-N 3.12Å; F88-G92 PolarHBondContact O-N 2.93Å; F88-V543 HydrophobicContact CD1-CB 3.95Å; F88-V543 HydrophobicContact CD1-CG1 3.61Å; F88-V543 HydrophobicContact CE1-CB 4.05Å; F88-V543 HydrophobicContact CE1-CG1 3.9Å; F88-T545 HydrophobicContact CD1-CG2 3.96Å; F88-T545 HydrophobicContact CD2-CG2 4.42Å; F88-T545 HydrophobicContact CE1-CG2 3.84Å; F88-T545 HydrophobicContact CE2-CG2 4.31Å; F88-T545 HydrophobicContact CG-CG2 4.24Å; F88-T545 HydrophobicContact CZ-CG2 4.02Å; F88-T545 WeakPolarHBondContact CZ-OG1 3.33Å
89Q96.1Very high94Very high56 Ų5649.5 Ų49.526%0.26225%0.245SC..Hα-helixtrans-61.7-44.2171.1-64.2172.610.700110.7A37 V40 G41 L84 D86 I91 G92 A93A37-Q89 WeakPolarHBondContact O-CA 3.47Å; A37-Q89 VanDerWaalsContact O-CG 3.3Å; A37-Q89 WeakPolarHBondContact O-CG 3.32Å; V40-Q89 HydrophobicContact CB-CG 4.23Å; V40-Q89 HydrophobicContact CG1-CG 4.07Å; G41-Q89 WeakPolarHBondContact CA-O 3.34Å; L84-Q89 HydrophobicContact CB-CB 4.36Å; L84-Q89 HydrophobicContact CD1-CB 3.76Å; D86-Q89 HydrophobicContact CB-CB 4.08Å; D86-Q89 HydrophobicContact CB-CG 3.99Å; D86-Q89 PolarHBondContact O-N 3.08Å; D86-Q89 WeakPolarHBondContact OD1-CG 3.09Å; D86-Q89 PolarHBondContact OD1-N 3.43Å; Q89-I91 VanDerWaalsContact C-N 3.28Å; Q89-I91 PolarHBondContact O-N 2.83Å; Q89-G92 PolarHBondContact O-N 3.31Å; Q89-A93 PolarHBondContact O-N 2.86Å
90N95.8Very high93.9Very high16 Ų1649.5 Ų49.59%0.08625%0.245CC..Hα-helixtrans-61.8-35.4-180-161.945.7000112.2L84 D86 K87 F88 A93 K94L84-N90 HydrophobicContact CB-CB 4.06Å; L84-N90 PolarHBondContact N-OD1 2.86Å; L84-N90 WeakPolarHBondContact O-CB 3.18Å; D86-N90 VanDerWaalsContact O-CB 3.26Å; D86-N90 WeakPolarHBondContact O-CB 3.38Å; D86-N90 PolarHBondContact O-N 2.87Å; K87-N90 PolarHBondContact O-N 3.49Å; F88-N90 VanDerWaalsContact C-N 3.34Å; N90-A93 PolarHBondContact O-N 2.85Å; N90-K94 WeakPolarHBondContact O-CB 3.42Å; N90-K94 VanDerWaalsContact O-CG 3.28Å; N90-K94 WeakPolarHBondContact O-CG 3.49Å; N90-K94 PolarHBondContact O-N 2.86Å
91I94.7Very high93.9Very high54 Ų5445.4 Ų45.428%0.27723%0.228SC..Hα-helixtrans-59.7-47.3172.9-74169.3000110.8M38 K87 F88 Q89 A93 K94 L95 V543 T545M38-I91 HydrophobicContact CG-CG2 4.48Å; M38-I91 HydrophobicContact SD-CG2 4.09Å; K87-I91 WeakPolarHBondContact O-CG1 3.29Å; K87-I91 PolarHBondContact O-N 3.31Å; F88-I91 PolarHBondContact O-N 3.12Å; Q89-I91 VanDerWaalsContact C-N 3.28Å; Q89-I91 PolarHBondContact O-N 2.83Å; I91-A93 VanDerWaalsContact C-N 3.34Å; I91-A93 PolarHBondContact O-N 2.88Å; I91-K94 PolarHBondContact O-N 2.84Å; I91-L95 HydrophobicContact CG2-CD1 4.06Å; I91-L95 WeakPolarHBondContact O-CG 3.44Å; I91-L95 PolarHBondContact O-N 3.17Å; I91-V543 HydrophobicContact CD1-CG1 3.46Å; I91-V543 VanDerWaalsContact CD1-CG1 3.46Å; I91-T545 HydrophobicContact CD1-CG2 3.59Å
92G94.3Very high93.8Very high0 Ų046.7 Ų46.70%023%0.225CC..Hα-helixtrans-58.5-45.6176.100000112.3F88 Q89 L95 V96F88-G92 PolarHBondContact O-N 2.93Å; Q89-G92 PolarHBondContact O-N 3.31Å; G92-L95 PolarHBondContact O-N 2.85Å; G92-V96 WeakPolarHBondContact O-CG2 3.43Å; G92-V96 PolarHBondContact O-N 3.08Å
93A95.5Very high93.7Very high0 Ų045.4 Ų45.40%022%0.218CC..Hα-helixtrans-61.8-47.6175.600000112.1L45 L84 Q89 N90 I91 L95 V96 Q97L45-A93 HydrophobicContact CB-CB 4.29Å; L45-A93 HydrophobicContact CD1-CB 4.02Å; L45-A93 VanDerWaalsContact CD1-O 3.26Å; L45-A93 WeakPolarHBondContact CD1-O 3.49Å; L84-A93 HydrophobicContact CD1-CB 3.91Å; L84-A93 HydrophobicContact CG-CB 4.29Å; Q89-A93 PolarHBondContact O-N 2.86Å; N90-A93 PolarHBondContact O-N 2.85Å; I91-A93 VanDerWaalsContact C-N 3.34Å; I91-A93 PolarHBondContact O-N 2.88Å; A93-L95 VanDerWaalsContact C-N 3.31Å; A93-L95 PolarHBondContact O-N 2.78Å; A93-V96 PolarHBondContact O-N 2.85Å; A93-Q97 WeakPolarHBondContact O-CB 3.29Å; A93-Q97 PolarHBondContact O-N 2.58Å
94K94.5Very high93.5Very high64 Ų6440.9 Ų40.928%0.27820%0.198SC..Hα-helixtrans-60.4-38.5179.5-71.3-49.2-176.3-164.80112.8N90 I91 V96 Q97 D98N90-K94 WeakPolarHBondContact O-CB 3.42Å; N90-K94 VanDerWaalsContact O-CG 3.28Å; N90-K94 WeakPolarHBondContact O-CG 3.49Å; N90-K94 PolarHBondContact O-N 2.86Å; I91-K94 PolarHBondContact O-N 2.84Å; K94-V96 PolarHBondContact O-N 3.35Å; K94-Q97 WeakPolarHBondContact O-CB 3.31Å; K94-Q97 PolarHBondContact O-N 2.72Å; K94-D98 VanDerWaalsContact O-CG 3.27Å; K94-D98 PolarHBondContact O-N 3.31Å
95L93.9Very high92.9Very high53 Ų5346.8 Ų46.828%0.27723%0.225SC..Hα-helixtrans-65-39.2177-70.4170.4000112.5I91 G92 A93 D98 V99 V533 L537I91-L95 HydrophobicContact CG2-CD1 4.06Å; I91-L95 WeakPolarHBondContact O-CG 3.44Å; I91-L95 PolarHBondContact O-N 3.17Å; G92-L95 PolarHBondContact O-N 2.85Å; A93-L95 VanDerWaalsContact C-N 3.31Å; A93-L95 PolarHBondContact O-N 2.78Å; L95-D98 PolarHBondContact O-N 3.29Å; L95-V99 PolarHBondContact O-N 3.49Å; L95-V533 HydrophobicContact CB-CG1 4.07Å; L95-L537 HydrophobicContact CD1-CB 4.49Å; L95-L537 HydrophobicContact CD1-CD1 3.7Å; L95-L537 HydrophobicContact CD1-CG 4.45Å
96V93.6Very high92.4Very high5 Ų541.1 Ų41.13%0.0320%0.202CC..Hα-helixtrans-73.2-33.5175.1-174.80000111.1V42 L45 G92 A93 K94 D98 V99 A100 T115 A118V42-V96 HydrophobicContact CB-CG2 4.14Å; V42-V96 HydrophobicContact CG1-CG2 3.87Å; V42-V96 HydrophobicContact CG2-CG2 3.76Å; L45-V96 HydrophobicContact CD2-CB 4Å; L45-V96 HydrophobicContact CD2-CG1 3.58Å; G92-V96 WeakPolarHBondContact O-CG2 3.43Å; G92-V96 PolarHBondContact O-N 3.08Å; A93-V96 PolarHBondContact O-N 2.85Å; K94-V96 PolarHBondContact O-N 3.35Å; V96-D98 VanDerWaalsContact C-N 3.27Å; V96-D98 PolarHBondContact O-N 3.04Å; V96-V99 WeakPolarHBondContact O-CB 3.48Å; V96-V99 PolarHBondContact O-N 3.43Å; V96-A100 PolarHBondContact O-N 2.96Å; V96-A100 VanDerWaalsContact O-N 3.12Å; V96-T115 HydrophobicContact CG1-CG2 3.72Å; V96-A118 HydrophobicContact CG1-CB 4.49Å
97Q93.6Very high91.9Very high20 Ų2038.8 Ų38.89%0.09319%0.19CC..Hα-helixtrans-59-41.2171.2-169.8-169-0.800111.1L45 A79 K80 A93 K94 V99 A100 N101L45-Q97 HydrophobicContact CD1-CB 4.16Å; A79-Q97 HydrophobicContact CB-CG 4.22Å; K80-Q97 VanDerWaalsContact CA-NE2 3.3Å; A93-Q97 WeakPolarHBondContact O-CB 3.29Å; A93-Q97 PolarHBondContact O-N 2.58Å; K94-Q97 WeakPolarHBondContact O-CB 3.31Å; K94-Q97 PolarHBondContact O-N 2.72Å; Q97-V99 VanDerWaalsContact C-N 3.33Å; Q97-V99 PolarHBondContact O-N 3.11Å; Q97-A100 PolarHBondContact O-N 3.33Å; Q97-N101 PolarHBondContact O-N 2.9Å; Q97-N101 PolarHBondContact O-ND2 3.47Å
98D92.4Very high91.2Very high71 Ų7134.8 Ų34.838%0.3817%0.174SC..Hα-helixtrans-64.4-36.5176.4-68.4-19.6000112K94 L95 V96 N101 N102K94-D98 VanDerWaalsContact O-CG 3.27Å; K94-D98 PolarHBondContact O-N 3.31Å; L95-D98 PolarHBondContact O-N 3.29Å; V96-D98 VanDerWaalsContact C-N 3.27Å; V96-D98 PolarHBondContact O-N 3.04Å; D98-N101 PolarHBondContact O-N 2.87Å; D98-N102 WeakPolarHBondContact O-CB 3.03Å; D98-N102 PolarHBondContact O-N 3.3Å; D98-N102 PolarHBondContact O-ND2 2.95Å; D98-N102 PolarHBondContact O-OD1 2.79Å
99V92.8Very high90.9Very high1 Ų136.8 Ų36.81%0.00618%0.184CC..Hα-helixtrans-57.5-52.8170.9174.50000110.7L95 V96 Q97 N101 N102 T103 A114 A118 D529 A530 V533L95-V99 PolarHBondContact O-N 3.49Å; V96-V99 WeakPolarHBondContact O-CB 3.48Å; V96-V99 PolarHBondContact O-N 3.43Å; Q97-V99 VanDerWaalsContact C-N 3.33Å; Q97-V99 PolarHBondContact O-N 3.11Å; V99-N101 VanDerWaalsContact C-N 3.27Å; V99-N101 PolarHBondContact O-N 2.93Å; V99-N102 PolarHBondContact O-N 3.08Å; V99-T103 PolarHBondContact O-N 2.93Å; V99-T103 PolarHBondContact O-OG1 3.21Å; V99-T103 VanDerWaalsContact O-OG1 3.14Å; V99-A114 HydrophobicContact CG1-CB 3.62Å; V99-A118 HydrophobicContact CG1-CB 4.39Å; V99-A118 HydrophobicContact CG2-CB 4.34Å; V99-D529 HydrophobicContact CG1-CB 4.16Å; V99-A530 HydrophobicContact CG1-CB 4.24Å; V99-V533 HydrophobicContact CG2-CB 3.35Å; V99-V533 HydrophobicContact CG2-CG1 3.76Å; V99-V533 HydrophobicContact CG2-CG2 3.47Å; V99-V533 VanDerWaalsContact CG2-CG2 3.47Å
100A91.7Very high90.7Very high0 Ų034.3 Ų34.30%017%0.174CC..Hα-helixtrans-61.9-37.2-179.200000112V76 A79 V96 Q97 N104V76-A100 HydrophobicContact CB-CB 4.45Å; V76-A100 HydrophobicContact CG2-CB 4.31Å; A79-A100 HydrophobicContact CB-CB 4.25Å; V96-A100 PolarHBondContact O-N 2.96Å; V96-A100 VanDerWaalsContact O-N 3.12Å; Q97-A100 PolarHBondContact O-N 3.33Å; A100-N104 VanDerWaalsContact O-CB 3.31Å; A100-N104 WeakPolarHBondContact O-CB 3.41Å; A100-N104 PolarHBondContact O-N 3.19Å; A100-N104 VanDerWaalsContact O-N 3.1Å
101N90.9Very high90.5Very high24 Ų2433.8 Ų33.813%0.12817%0.171CC..Hα-helixtrans-65.2-49.9176.2-70.1-27.8000112.1V76 K80 Q97 D98 V99 T103 N104 E105V76-N101 WeakPolarHBondContact CG2-OD1 3.13Å; K80-N101 WeakPolarHBondContact CE-OD1 3.27Å; Q97-N101 PolarHBondContact O-N 2.9Å; Q97-N101 PolarHBondContact O-ND2 3.47Å; D98-N101 PolarHBondContact O-N 2.87Å; V99-N101 VanDerWaalsContact C-N 3.27Å; V99-N101 PolarHBondContact O-N 2.93Å; N101-T103 VanDerWaalsContact C-N 3.35Å; N101-T103 PolarHBondContact O-N 2.75Å; N101-N104 WeakPolarHBondContact O-CB 3.04Å; N101-N104 PolarHBondContact O-N 2.61Å; N101-E105 WeakPolarHBondContact O-CG 3.45Å; N101-E105 PolarHBondContact O-N 2.87Å
102N90.2Very high90.5Very high72 Ų7232 Ų3239%0.38516%0.163SC..Hα-helixtrans-62.1-44.5-177.9-67-10.7000111D98 V99 N104 E105 E106D98-N102 WeakPolarHBondContact O-CB 3.03Å; D98-N102 PolarHBondContact O-N 3.3Å; D98-N102 PolarHBondContact O-ND2 2.95Å; D98-N102 PolarHBondContact O-OD1 2.79Å; V99-N102 PolarHBondContact O-N 3.08Å; N102-N104 VanDerWaalsContact C-N 3.3Å; N102-N104 PolarHBondContact O-N 2.79Å; N102-E105 PolarHBondContact O-N 3.27Å; N102-E105 VanDerWaalsContact O-N 3.13Å; N102-E106 PolarHBondContact O-N 2.76Å
103T91.1Very high90.7Very high0 Ų033.7 Ų33.70%017%0.174CC..Hα-helixtrans-62.7-39176.9-58.80000111.5V99 N101 A107 G108 D109 A114 T525 A526 D529V99-T103 PolarHBondContact O-N 2.93Å; V99-T103 PolarHBondContact O-OG1 3.21Å; V99-T103 VanDerWaalsContact O-OG1 3.14Å; N101-T103 VanDerWaalsContact C-N 3.35Å; N101-T103 PolarHBondContact O-N 2.75Å; T103-A107 PolarHBondContact O-N 3.15Å; T103-G108 PolarHBondContact O-N 2.79Å; T103-D109 WeakPolarHBondContact CG2-O 3.35Å; T103-A114 HydrophobicContact CG2-CB 4.2Å; T103-A114 WeakPolarHBondContact OG1-CB 3.5Å; T103-T525 HydrophobicContact CG2-CG2 4.26Å; T103-A526 HydrophobicContact CG2-CB 4.14Å; T103-D529 WeakPolarHBondContact CA-OD2 3.46Å; T103-D529 WeakPolarHBondContact CB-OD2 3.37Å; T103-D529 PolarHBondContact N-OD2 2.91Å; T103-D529 VanDerWaalsContact N-OD2 3.1Å; T103-D529 WeakPolarHBondContact OG1-CB 3.49Å; T103-D529 PolarHBondContact OG1-OD2 3.4Å
104N89.3Confident90.7Very high43 Ų4333.7 Ų33.723%0.2317%0.174CC..Hα-helixtrans-66.6-36.3174.9-168.970.5000112.9V76 A100 N101 N102 G108 T111V76-N104 HydrophobicContact CB-CB 4.46Å; V76-N104 HydrophobicContact CG1-CB 4.27Å; V76-N104 HydrophobicContact CG2-CB 4.43Å; A100-N104 VanDerWaalsContact O-CB 3.31Å; A100-N104 WeakPolarHBondContact O-CB 3.41Å; A100-N104 PolarHBondContact O-N 3.19Å; A100-N104 VanDerWaalsContact O-N 3.1Å; N101-N104 WeakPolarHBondContact O-CB 3.04Å; N101-N104 PolarHBondContact O-N 2.61Å; N102-N104 VanDerWaalsContact C-N 3.3Å; N102-N104 PolarHBondContact O-N 2.79Å; N104-G108 WeakPolarHBondContact O-CA 3.28Å; N104-G108 PolarHBondContact O-N 2.72Å; N104-T111 HydrophobicContact CB-CG2 3.67Å
105E83.6Confident90.9Very high151 Ų15130.7 Ų30.771%0.70616%0.16SC*.Hα-helixtrans-72-37.7178.1-73.2-177.5-179.100112.1N101 N102N101-E105 WeakPolarHBondContact O-CG 3.45Å; N101-E105 PolarHBondContact O-N 2.87Å; N102-E105 PolarHBondContact O-N 3.27Å; N102-E105 VanDerWaalsContact O-N 3.13Å
106E82.6Confident91Very high90 Ų9028.1 Ų28.142%0.42115%0.147SC..Hα-helixtrans-84.7-39.8-177.7179.9172.817000113.6N102 K521 R524 T525N102-E106 PolarHBondContact O-N 2.76Å; E106-K521 VanDerWaalsContact O-CE 3.23Å; E106-K521 WeakPolarHBondContact O-CE 3.44Å; E106-K521 PolarHBondContact O-NZ 3.08Å; E106-R524 IonicContact OE1-NH1 2.75Å; E106-R524 IonicContact OE1-NH2 3.89Å; E106-R524 PolarHBondContact OE1-NH2 2.83Å; E106-T525 HydrophobicContact CB-CG2 3.82Å; E106-T525 HydrophobicContact CG-CG2 3.84Å
107A84.8Confident91.2Very high7 Ų727.9 Ų27.96%0.05815%0.146CC..THydrogen-bonded Turntrans-116.8-25.4-174.600000114.1T103 D109 V522 T525T103-A107 PolarHBondContact O-N 3.15Å; A107-D109 PolarHBondContact O-N 2.7Å; A107-V522 HydrophobicContact CB-CB 4.49Å; A107-V522 HydrophobicContact CB-CG2 3.95Å; A107-T525 HydrophobicContact CB-CG2 4.26Å
108G79.5Confident91.3Very high3 Ų327 Ų273%0.03114%0.142CC..SBendtrans70.510.4-179.700000115.8T103 N104 N424T103-G108 PolarHBondContact O-N 2.79Å; N104-G108 WeakPolarHBondContact O-CA 3.28Å; N104-G108 PolarHBondContact O-N 2.72Å; G108-N424 PolarHBondContact O-ND2 2.98Å
109D87.5Confident91.5Very high42 Ų4225.5 Ų25.523%0.22513%0.131CC..SBendtrans-154.5171.9169.5-175.722.1000108.5T103 A107 A425 V522T103-D109 WeakPolarHBondContact CG2-O 3.35Å; A107-D109 PolarHBondContact O-N 2.7Å; D109-A425 HydrophobicContact CB-CB 4.22Å; D109-V522 HydrophobicContact CB-CG1 4.18Å; D109-V522 HydrophobicContact CB-CG2 4.02Å
110G91.2Very high91.7Very high4 Ų426.2 Ų26.24%0.04114%0.137CC..  trans88.29.5177.400000114.5T112 T113 A114G110-T112 PolarHBondContact O-N 3.31Å; G110-T113 WeakPolarHBondContact O-CB 3.48Å; G110-T113 PolarHBondContact O-N 3.39Å; G110-T113 VanDerWaalsContact O-N 3.12Å; G110-A114 PolarHBondContact O-N 3.44Å
111T93.3Very high91.9Very high5 Ų526.2 Ų26.23%0.03114%0.137CC..Hα-helixtrans-60.3-44-17661.70000112.3V76 N104 A114 T115V76-T111 HydrophobicContact CB-CG2 3.93Å; V76-T111 HydrophobicContact CG1-CG2 4.26Å; V76-T111 PolarHBondContact N-OG1 3.06Å; N104-T111 HydrophobicContact CB-CG2 3.67Å; T111-A114 PolarHBondContact O-N 2.93Å; T111-T115 WeakPolarHBondContact O-CB 3.47Å; T111-T115 PolarHBondContact O-N 3.26Å; T111-T115 PolarHBondContact O-OG1 3.48Å
112T95.1Very high92.1Very high16 Ų1625.1 Ų25.110%0.09813%0.131CC..Hα-helixtrans-66.3-39.4175.2-49.10000111.4V49 T52 M53 G75 G110 T115 V116V49-T112 HydrophobicContact CG1-CG2 3.77Å; V49-T112 WeakPolarHBondContact O-CG2 3.35Å; T52-T112 PolarHBondContact OG1-OG1 3.45Å; M53-T112 HydrophobicContact CB-CG2 3.75Å; M53-T112 HydrophobicContact CE-CG2 3.73Å; M53-T112 WeakPolarHBondContact CE-O 3.11Å; M53-T112 HydrophobicContact CG-CG2 4.37Å; G75-T112 WeakPolarHBondContact CA-OG1 3.27Å; G110-T112 PolarHBondContact O-N 3.31Å; T112-T115 PolarHBondContact O-N 2.89Å; T112-V116 PolarHBondContact O-N 3.46Å
113T96.8Very high92.3Very high37 Ų3726.9 Ų26.923%0.22714%0.135CC..Hα-helixtrans-63.6-46.7176.5-560000111.4G110 T115 V116 L117 P473 A526G110-T113 WeakPolarHBondContact O-CB 3.48Å; G110-T113 PolarHBondContact O-N 3.39Å; G110-T113 VanDerWaalsContact O-N 3.12Å; T113-T115 VanDerWaalsContact C-N 3.29Å; T113-T115 PolarHBondContact O-N 3.3Å; T113-V116 VanDerWaalsContact O-CG2 3.31Å; T113-V116 WeakPolarHBondContact O-CG2 3.24Å; T113-V116 PolarHBondContact O-N 3.32Å; T113-L117 HydrophobicContact CG2-CD1 3.86Å; T113-L117 HydrophobicContact CG2-CG 4.46Å; T113-L117 WeakPolarHBondContact O-CB 3.4Å; T113-L117 VanDerWaalsContact O-CG 3.23Å; T113-L117 WeakPolarHBondContact O-CG 3.32Å; T113-L117 PolarHBondContact O-N 3.5Å; T113-P473 HydrophobicContact CG2-CB 4.29Å; T113-P473 HydrophobicContact CG2-CG 3.94Å; T113-A526 HydrophobicContact CG2-CB 4.24Å
114A97Very high92.3Very high0 Ų028.8 Ų28.80%014%0.144CC..Hα-helixtrans-60.2-41.4176.300000111.3V99 T103 G110 T111 L117 A118 A526 A530V99-A114 HydrophobicContact CG1-CB 3.62Å; T103-A114 HydrophobicContact CG2-CB 4.2Å; T103-A114 WeakPolarHBondContact OG1-CB 3.5Å; G110-A114 PolarHBondContact O-N 3.44Å; T111-A114 PolarHBondContact O-N 2.93Å; A114-L117 PolarHBondContact O-N 2.92Å; A114-A118 VanDerWaalsContact O-CB 3.27Å; A114-A118 WeakPolarHBondContact O-CB 3.36Å; A114-A118 PolarHBondContact O-N 3.36Å; A114-A526 HydrophobicContact CB-CB 3.91Å; A114-A530 VanDerWaalsContact O-CB 3.25Å; A114-A530 WeakPolarHBondContact O-CB 3.32Å
115T97Very high92.5Very high0 Ų026.8 Ų26.80%013%0.133CC..Hα-helixtrans-62.6-47.9178.8-60.60000112.8L45 A46 V49 V96 T111 T112 T113 A118 R119L45-T115 HydrophobicContact CD2-CG2 3.84Å; A46-T115 HydrophobicContact CB-CG2 3.88Å; V49-T115 HydrophobicContact CB-CG2 3.89Å; V49-T115 HydrophobicContact CG1-CG2 3.81Å; V49-T115 HydrophobicContact CG2-CG2 4.32Å; V96-T115 HydrophobicContact CG1-CG2 3.72Å; T111-T115 WeakPolarHBondContact O-CB 3.47Å; T111-T115 PolarHBondContact O-N 3.26Å; T111-T115 PolarHBondContact O-OG1 3.48Å; T112-T115 PolarHBondContact O-N 2.89Å; T113-T115 VanDerWaalsContact C-N 3.29Å; T113-T115 PolarHBondContact O-N 3.3Å; T115-A118 PolarHBondContact O-N 3.3Å; T115-R119 PolarHBondContact O-N 3.02Å
116V97Very high92.9Very high0 Ų019.9 Ų19.90%010%0.101CC..Hα-helixtrans-70.3-33.8-179.9-590000112.5A50 M53 T112 T113 A120 T472 P473 T476A50-V116 HydrophobicContact CB-CG1 3.72Å; M53-V116 HydrophobicContact CE-CB 4.3Å; M53-V116 HydrophobicContact CE-CG1 3.87Å; M53-V116 HydrophobicContact CE-CG2 3.43Å; M53-V116 VanDerWaalsContact CE-CG2 3.43Å; M53-V116 HydrophobicContact SD-CG2 4.45Å; T112-V116 PolarHBondContact O-N 3.46Å; T113-V116 VanDerWaalsContact O-CG2 3.31Å; T113-V116 WeakPolarHBondContact O-CG2 3.24Å; T113-V116 PolarHBondContact O-N 3.32Å; V116-A120 WeakPolarHBondContact O-CB 3.43Å; V116-A120 PolarHBondContact O-N 3.4Å; V116-T472 HydrophobicContact CB-CG2 4.02Å; V116-T472 HydrophobicContact CG2-CG2 4.1Å; V116-P473 HydrophobicContact CG2-CG 4.45Å; V116-T476 HydrophobicContact CG1-CG2 4.44Å
117L97.5Very high93.3Very high0 Ų020.3 Ų20.30%010%0.103CC..Hα-helixtrans-65.7-43.4173.3-72.5171.3000110.7T113 A114 R119 A120 I121 L442 A469 P473 L527 A530T113-L117 HydrophobicContact CG2-CD1 3.86Å; T113-L117 HydrophobicContact CG2-CG 4.46Å; T113-L117 WeakPolarHBondContact O-CB 3.4Å; T113-L117 VanDerWaalsContact O-CG 3.23Å; T113-L117 WeakPolarHBondContact O-CG 3.32Å; T113-L117 PolarHBondContact O-N 3.5Å; A114-L117 PolarHBondContact O-N 2.92Å; L117-R119 PolarHBondContact O-N 3Å; L117-A120 PolarHBondContact O-N 2.97Å; L117-I121 WeakPolarHBondContact O-CG1 3.25Å; L117-I121 PolarHBondContact O-N 3.08Å; L117-L442 HydrophobicContact CD1-CD1 4.4Å; L117-A469 HydrophobicContact CD2-CB 4.49Å; L117-A469 WeakPolarHBondContact CD2-O 3.2Å; L117-P473 HydrophobicContact CD2-CG 3.99Å; L117-P473 HydrophobicContact CG-CG 4.18Å; L117-L527 HydrophobicContact CD1-CB 4.4Å; L117-L527 HydrophobicContact CD1-CD1 4.28Å; L117-A530 HydrophobicContact CB-CB 3.67Å
118A96.9Very high93.6Very high2 Ų222.5 Ų22.52%0.01711%0.111CC..Hα-helixtrans-61.5-44.8178.400000111.1V96 V99 A114 T115 A122 A530 A534V96-A118 HydrophobicContact CG1-CB 4.49Å; V99-A118 HydrophobicContact CG1-CB 4.39Å; V99-A118 HydrophobicContact CG2-CB 4.34Å; A114-A118 VanDerWaalsContact O-CB 3.27Å; A114-A118 WeakPolarHBondContact O-CB 3.36Å; A114-A118 PolarHBondContact O-N 3.36Å; T115-A118 PolarHBondContact O-N 3.3Å; A118-A122 WeakPolarHBondContact O-CB 3.43Å; A118-A122 PolarHBondContact O-N 3.5Å; A118-A530 HydrophobicContact CB-CB 4.02Å; A118-A534 HydrophobicContact CB-CB 4.47Å; A118-A534 WeakPolarHBondContact O-CB 3.26Å
119R96.3Very high94.1Very high39 Ų3922.9 Ų22.915%0.14711%0.113CC..Hα-helixtrans-58.6-49173.4-179.7-17257.1-163.3-3.2111.5V42 D43 A46 D47 T115 L117 I121 A122 K123V42-R119 HydrophobicContact CG1-CB 4.14Å; V42-R119 HydrophobicContact CG1-CG 4.2Å; D43-R119 WeakPolarHBondContact OD1-CD 3.4Å; D43-R119 WeakPolarHBondContact OD1-CG 3.38Å; A46-R119 HydrophobicContact CB-CB 3.74Å; A46-R119 HydrophobicContact CB-CG 4.05Å; D47-R119 IonicContact OD1-CZ 3.39Å; D47-R119 IonicContact OD1-NH1 3.05Å; D47-R119 PolarHBondContact OD1-NH1 3.38Å; T115-R119 PolarHBondContact O-N 3.02Å; L117-R119 PolarHBondContact O-N 3Å; R119-I121 PolarHBondContact O-N 3.32Å; R119-A122 PolarHBondContact O-N 3.37Å; R119-K123 WeakPolarHBondContact O-CB 3.09Å; R119-K123 PolarHBondContact O-N 3.49Å
120A96.4Very high94Very high16 Ų1624.4 Ų24.413%0.13213%0.126CC..Hα-helixtrans-59.6-46.1-177.700000112V116 L117 E124 A469 T472V116-A120 WeakPolarHBondContact O-CB 3.43Å; V116-A120 PolarHBondContact O-N 3.4Å; L117-A120 PolarHBondContact O-N 2.97Å; A120-E124 PolarHBondContact O-N 3.44Å; A120-A469 HydrophobicContact CB-CB 4.03Å; A120-T472 HydrophobicContact CB-CG2 4.29Å; A120-T472 WeakPolarHBondContact CB-OG1 3.37Å
121I96.2Very high93.9Very high0 Ų031.1 Ų31.10%015%0.154CC..Hα-helixtrans-67.5-44.7178.9-63.7169000111.1L117 R119 G125 V142 I465 A469 A531 A534L117-I121 WeakPolarHBondContact O-CG1 3.25Å; L117-I121 PolarHBondContact O-N 3.08Å; R119-I121 PolarHBondContact O-N 3.32Å; I121-G125 PolarHBondContact O-N 3.08Å; I121-V142 HydrophobicContact CG2-CG1 4.5Å; I121-I465 HydrophobicContact CG2-CG2 4.37Å; I121-A469 HydrophobicContact CD1-CB 4.48Å; I121-A469 HydrophobicContact CG1-CB 3.78Å; I121-A531 HydrophobicContact CD1-CB 3.86Å; I121-A534 HydrophobicContact CB-CB 3.79Å; I121-A534 HydrophobicContact CG2-CB 3.69Å
122A94.4Very high93.7Very high1 Ų134.2 Ų34.21%0.00819%0.187CC..Hα-helixtrans-65.2-44.8-178.600000112A118 R119 G125 F126 A534 L537A118-A122 WeakPolarHBondContact O-CB 3.43Å; A118-A122 PolarHBondContact O-N 3.5Å; R119-A122 PolarHBondContact O-N 3.37Å; A122-G125 PolarHBondContact O-N 3.07Å; A122-F126 WeakPolarHBondContact O-CB 3.31Å; A122-F126 WeakPolarHBondContact O-CD2 3.22Å; A122-F126 WeakPolarHBondContact O-CG 3.31Å; A122-F126 PolarHBondContact O-N 2.92Å; A122-A534 HydrophobicContact CB-CB 4.16Å; A122-L537 HydrophobicContact CB-CD2 4.31Å
123K94Very high93.5Very high108 Ų10834.3 Ų34.347%0.4719%0.19SC..Hα-helixtrans-62.4-52-178.7-175.9168.8-175.5160.50112L39 R119 G125 E127L39-K123 HydrophobicContact CD1-CB 4.05Å; L39-K123 HydrophobicContact CD1-CG 4.41Å; L39-K123 HydrophobicContact CD2-CG 4.42Å; R119-K123 WeakPolarHBondContact O-CB 3.09Å; R119-K123 PolarHBondContact O-N 3.49Å; K123-G125 VanDerWaalsContact C-N 3.35Å; K123-E127 PolarHBondContact O-N 2.84Å
124E92.6Very high93.3Very high41 Ų4135.9 Ų35.919%0.19220%0.197CC..Hα-helixtrans-67.7-37.6177.7-68.7-158.5-145.100111.6A120 E127 K128 I465 R468A120-E124 PolarHBondContact O-N 3.44Å; E124-E127 PolarHBondContact O-N 2.77Å; E124-K128 WeakPolarHBondContact O-CG 3.33Å; E124-K128 PolarHBondContact O-N 3.01Å; E124-I465 HydrophobicContact CB-CB 4.49Å; E124-I465 HydrophobicContact CB-CD1 3.76Å; E124-I465 HydrophobicContact CB-CG1 3.76Å; E124-I465 HydrophobicContact CB-CG2 4Å; E124-R468 WeakPolarHBondContact OE1-CB 3.36Å; E124-R468 WeakPolarHBondContact OE1-CD 3.36Å; E124-R468 WeakPolarHBondContact OE2-CD 3.4Å; E124-R468 IonicContact OE2-CZ 3.73Å; E124-R468 IonicContact OE2-NE 3.84Å; E124-R468 IonicContact OE2-NH1 2.83Å; E124-R468 PolarHBondContact OE2-NH1 3.08Å
125G93.2Very high93.1Very high0 Ų037.3 Ų37.30%021%0.206CC..Hα-helixtrans-59.2-48.3177.200000112.8I121 A122 K123 E127 K128 I129I121-G125 PolarHBondContact O-N 3.08Å; A122-G125 PolarHBondContact O-N 3.07Å; K123-G125 VanDerWaalsContact C-N 3.35Å; G125-E127 VanDerWaalsContact C-N 3.33Å; G125-E127 PolarHBondContact O-N 2.73Å; G125-K128 PolarHBondContact O-N 2.89Å; G125-I129 WeakPolarHBondContact O-CB 3.46Å; G125-I129 WeakPolarHBondContact O-CD1 3.49Å; G125-I129 VanDerWaalsContact O-CG1 3.3Å; G125-I129 WeakPolarHBondContact O-CG1 3.35Å; G125-I129 PolarHBondContact O-N 3.41Å
126F91.8Very high93Very high7 Ų741.4 Ų41.43%0.03123%0.227CC..Hα-helixtrans-62.6-37.5177.1-73.9-34.6000113.1R35 M38 L39 A122 S130 L537 T538R35-F126 HydrophobicContact CB-CD1 3.96Å; R35-F126 HydrophobicContact CB-CE1 3.93Å; R35-F126 HydrophobicContact CB-CG 4.25Å; R35-F126 HydrophobicContact CB-CZ 4.23Å; R35-F126 HydrophobicContact CG-CD1 3.74Å; R35-F126 HydrophobicContact CG-CE1 3.53Å; R35-F126 HydrophobicContact CG-CZ 4.19Å; M38-F126 HydrophobicContact CE-CZ 4.22Å; L39-F126 HydrophobicContact CB-CD2 3.92Å; L39-F126 HydrophobicContact CB-CE2 4Å; L39-F126 HydrophobicContact CD1-CD2 4.08Å; L39-F126 HydrophobicContact CD1-CE2 4.44Å; L39-F126 HydrophobicContact CD2-CD2 4.24Å; L39-F126 HydrophobicContact CG-CD2 4.3Å; A122-F126 WeakPolarHBondContact O-CB 3.31Å; A122-F126 WeakPolarHBondContact O-CD2 3.22Å; A122-F126 WeakPolarHBondContact O-CG 3.31Å; A122-F126 PolarHBondContact O-N 2.92Å; F126-S130 WeakPolarHBondContact O-CB 3.44Å; F126-S130 PolarHBondContact O-N 3.19Å; F126-S130 PolarHBondContact O-OG 3.42Å; F126-L537 HydrophobicContact CE1-CG 4.3Å; F126-L537 HydrophobicContact CE2-CD2 4.29Å; F126-L537 HydrophobicContact CE2-CG 4.25Å; F126-L537 HydrophobicContact CZ-CD1 3.84Å; F126-L537 HydrophobicContact CZ-CD2 4.08Å; F126-L537 HydrophobicContact CZ-CG 3.56Å; F126-T538 HydrophobicContact CD1-CG2 4.02Å; F126-T538 HydrophobicContact CE1-CG2 4.26Å
127E90.7Very high92.9Very high99 Ų9942.8 Ų42.846%0.46323%0.234SC..Hα-helixtrans-64-43.5176.6-164.4-159.6137.800111.5K123 E124 G125 S130 K131K123-E127 PolarHBondContact O-N 2.84Å; E124-E127 PolarHBondContact O-N 2.77Å; G125-E127 VanDerWaalsContact C-N 3.33Å; G125-E127 PolarHBondContact O-N 2.73Å; E127-S130 PolarHBondContact O-N 2.91Å; E127-K131 WeakPolarHBondContact O-CG 3.42Å; E127-K131 PolarHBondContact O-N 2.93Å; E127-K131 IonicContact OE1-NZ 3.95Å; E127-K131 PolarHBondContact OE1-NZ 2.77Å
128K91.7Very high92.7Very high52 Ų5242.8 Ų42.823%0.22623%0.234CC..Hα-helixtrans-69.8-39.5-179.9-65.7-60.7-175.9176.30112.7E124 G125 S130 K131 A133 T461 I465E124-K128 WeakPolarHBondContact O-CG 3.33Å; E124-K128 PolarHBondContact O-N 3.01Å; G125-K128 PolarHBondContact O-N 2.89Å; K128-S130 VanDerWaalsContact C-N 3.31Å; K128-S130 PolarHBondContact O-N 2.68Å; K128-K131 WeakPolarHBondContact O-CA 3.27Å; K128-K131 WeakPolarHBondContact O-CB 3.34Å; K128-K131 PolarHBondContact O-N 3.26Å; K128-A133 WeakPolarHBondContact O-CB 3.06Å; K128-A133 PolarHBondContact O-N 2.64Å; K128-T461 HydrophobicContact CB-CG2 3.96Å; K128-T461 HydrophobicContact CD-CG2 3.98Å; K128-T461 HydrophobicContact CG-CG2 3.66Å; K128-I465 HydrophobicContact CB-CD1 4.42Å; K128-I465 HydrophobicContact CG-CD1 3.74Å
129I90Very high92.6Very high12 Ų1246 Ų466%0.06225%0.245CC..Hα-helixtrans-67.2-36.7177.5-70.1166000111G125 K131 G132 P135 F138 T538G125-I129 WeakPolarHBondContact O-CB 3.46Å; G125-I129 WeakPolarHBondContact O-CD1 3.49Å; G125-I129 VanDerWaalsContact O-CG1 3.3Å; G125-I129 WeakPolarHBondContact O-CG1 3.35Å; G125-I129 PolarHBondContact O-N 3.41Å; I129-K131 PolarHBondContact O-N 2.96Å; I129-K131 VanDerWaalsContact O-N 3.14Å; I129-G132 PolarHBondContact O-N 2.89Å; I129-P135 HydrophobicContact CD1-CB 3.81Å; I129-P135 HydrophobicContact CD1-CG 3.96Å; I129-P135 HydrophobicContact CG1-CB 4.35Å; I129-P135 HydrophobicContact CG1-CG 4.09Å; I129-P135 HydrophobicContact CG2-CG 3.77Å; I129-F138 HydrophobicContact CD1-CD1 4.37Å; I129-T538 HydrophobicContact CD1-CG2 4.41Å; I129-T538 WeakPolarHBondContact CD1-O 3.41Å
130S85.8Confident92.6Very high73 Ų7351 Ų5151%0.5126%0.264SS..Hα-helixtrans-63.3-18.6173.5-56.30000112.9F126 E127 K128F126-S130 WeakPolarHBondContact O-CB 3.44Å; F126-S130 PolarHBondContact O-N 3.19Å; F126-S130 PolarHBondContact O-OG 3.42Å; E127-S130 PolarHBondContact O-N 2.91Å; K128-S130 VanDerWaalsContact C-N 3.31Å; K128-S130 PolarHBondContact O-N 2.68Å
131K88.8Confident92.5Very high145 Ų14550.2 Ų50.263%0.6326%0.258SS*.THydrogen-bonded Turntrans-90.94.6173.5-67.2171.2176.9171.50113.7E127 K128 I129E127-K131 WeakPolarHBondContact O-CG 3.42Å; E127-K131 PolarHBondContact O-N 2.93Å; E127-K131 IonicContact OE1-NZ 3.95Å; E127-K131 PolarHBondContact OE1-NZ 2.77Å; K128-K131 WeakPolarHBondContact O-CA 3.27Å; K128-K131 WeakPolarHBondContact O-CB 3.34Å; K128-K131 PolarHBondContact O-N 3.26Å; I129-K131 PolarHBondContact O-N 2.96Å; I129-K131 VanDerWaalsContact O-N 3.14Å
132G89Confident92.5Very high70 Ų7050.2 Ų50.272%0.72226%0.258SS*.THydrogen-bonded Turntrans100.58.4174.400000115.9I129I129-G132 PolarHBondContact O-N 2.89Å
133A89.6Confident92.6Very high18 Ų1852.8 Ų52.815%0.14927%0.27CS..  trans-66.2144.3174.500000111.7K128 P135 D458K128-A133 WeakPolarHBondContact O-CB 3.06Å; K128-A133 PolarHBondContact O-N 2.64Å; A133-P135 VanDerWaalsContact O-CD 3.26Å; A133-P135 WeakPolarHBondContact O-CD 3Å; A133-D458 VanDerWaalsContact CA-OD1 3.25Å; A133-D458 WeakPolarHBondContact CA-OD1 3.38Å; A133-D458 WeakPolarHBondContact CB-OD1 3.42Å
134N93.2Very high92.7Very high70 Ų7049.6 Ų49.637%0.37426%0.262SS..  trans-74.4116.1177.1-176.9-27.8000110.7I136 E137 F138 D458N134-I136 VanDerWaalsContact C-N 3.27Å; N134-I136 PolarHBondContact O-N 2.64Å; N134-I136 PolarHBondContact OD1-N 2.68Å; N134-E137 HydrophobicContact CB-CB 4.19Å; N134-E137 HydrophobicContact CB-CG 4.36Å; N134-E137 PolarHBondContact O-N 3.16Å; N134-F138 WeakPolarHBondContact O-CB 3.31Å; N134-F138 PolarHBondContact O-N 2.69Å; N134-D458 VanDerWaalsContact CB-OD2 3.26Å; N134-D458 WeakPolarHBondContact CB-OD2 3.42Å; N134-D458 PolarHBondContact N-OD1 3.5Å
135P93Very high92.9Very high30 Ų3047.7 Ų47.720%0.19525%0.253CS..Hα-helixtrans-61.4-31.4-176-24.334.9000114.5I129 A133 R139 T539I129-P135 HydrophobicContact CD1-CB 3.81Å; I129-P135 HydrophobicContact CD1-CG 3.96Å; I129-P135 HydrophobicContact CG1-CB 4.35Å; I129-P135 HydrophobicContact CG1-CG 4.09Å; I129-P135 HydrophobicContact CG2-CG 3.77Å; A133-P135 VanDerWaalsContact O-CD 3.26Å; A133-P135 WeakPolarHBondContact O-CD 3Å; P135-R139 WeakPolarHBondContact O-CB 3.28Å; P135-R139 PolarHBondContact O-N 3.06Å; P135-T539 HydrophobicContact CB-CG2 4.04Å
136I94.3Very high93.1Very high87 Ų8747.7 Ų47.745%0.44625%0.253SS..Hα-helixtrans-74.3-43.8-178-57.8-59.8000110.7N134 R139 R140 T539N134-I136 VanDerWaalsContact C-N 3.27Å; N134-I136 PolarHBondContact O-N 2.64Å; N134-I136 PolarHBondContact OD1-N 2.68Å; I136-R139 PolarHBondContact O-N 3.13Å; I136-R140 WeakPolarHBondContact O-CG 3.46Å; I136-R140 PolarHBondContact O-N 3.49Å; I136-R140 VanDerWaalsContact O-N 3.08Å; I136-T539 HydrophobicContact CD1-CG2 4.04Å
137E95.3Very high93.3Very high28 Ų2851.8 Ų51.813%0.13128%0.275CS..Hα-helixtrans-68.7-37.5174.9-69.5-59.2134.600111.4N134 R139 R140 G141 N456 D458 Q459N134-E137 HydrophobicContact CB-CB 4.19Å; N134-E137 HydrophobicContact CB-CG 4.36Å; N134-E137 PolarHBondContact O-N 3.16Å; E137-R139 PolarHBondContact O-N 3.35Å; E137-R140 WeakPolarHBondContact O-CB 3.46Å; E137-R140 PolarHBondContact O-N 3.32Å; E137-R140 IonicContact OE1-CZ 3.76Å; E137-R140 IonicContact OE1-NE 2.7Å; E137-R140 IonicContact OE1-NH1 2.63Å; E137-R140 PolarHBondContact OE1-NH1 2.98Å; E137-G141 PolarHBondContact O-N 3.38Å; E137-N456 PolarHBondContact OE2-ND2 2.94Å; E137-D458 HydrophobicContact CB-CB 3.49Å; E137-D458 VanDerWaalsContact CB-CB 3.49Å; E137-Q459 WeakPolarHBondContact O-CG 3.07Å; E137-Q459 PolarHBondContact OE2-NE2 2.86Å
138F93.3Very high93.6Very high0 Ų047.8 Ų47.80%026%0.259CS..Hα-helixtrans-54.1-51.2170167.5-99.5000111.4I129 N134 R140 G141 V142 I465 T538I129-F138 HydrophobicContact CD1-CD1 4.37Å; N134-F138 WeakPolarHBondContact O-CB 3.31Å; N134-F138 PolarHBondContact O-N 2.69Å; F138-R140 VanDerWaalsContact C-N 3.33Å; F138-R140 PolarHBondContact O-N 2.93Å; F138-G141 WeakPolarHBondContact O-CA 3.34Å; F138-G141 PolarHBondContact O-N 3.02Å; F138-G141 VanDerWaalsContact O-N 3.1Å; F138-V142 HydrophobicContact CD1-CG2 4.44Å; F138-V142 HydrophobicContact CD2-CG2 4.34Å; F138-V142 HydrophobicContact CE1-CG2 3.88Å; F138-V142 HydrophobicContact CE2-CG2 3.73Å; F138-V142 HydrophobicContact CZ-CG2 3.5Å; F138-V142 PolarHBondContact O-N 2.98Å; F138-I465 HydrophobicContact CD2-CD1 4.3Å; F138-I465 HydrophobicContact CE2-CB 4.25Å; F138-I465 HydrophobicContact CE2-CD1 3.34Å; F138-I465 HydrophobicContact CE2-CG1 4.27Å; F138-I465 HydrophobicContact CZ-CD1 3.92Å; F138-I465 HydrophobicContact CZ-CG2 4.43Å; F138-T538 HydrophobicContact CE1-CG2 4.07Å; F138-T538 WeakPolarHBondContact CE1-OG1 2.99Å
139R95.2Very high93.9Very high70 Ų7045.3 Ų45.326%0.26425%0.248SC..Hα-helixtrans-57.8-44.5177.4174.6173.5176.586.7-6.8111.8P135 I136 E137 G141 V142 M143 G532 S535 T539P135-R139 WeakPolarHBondContact O-CB 3.28Å; P135-R139 PolarHBondContact O-N 3.06Å; I136-R139 PolarHBondContact O-N 3.13Å; E137-R139 PolarHBondContact O-N 3.35Å; R139-G141 VanDerWaalsContact C-N 3.29Å; R139-G141 PolarHBondContact O-N 3.4Å; R139-V142 PolarHBondContact O-N 3.46Å; R139-M143 HydrophobicContact CG-CG 4.4Å; R139-M143 WeakPolarHBondContact O-CG 3.4Å; R139-M143 PolarHBondContact O-N 2.79Å; R139-G532 PolarHBondContact NH1-O 3.02Å; R139-S535 PolarHBondContact NH1-OG 3.41Å; R139-T539 HydrophobicContact CB-CG2 4.42Å
140R95.5Very high94.2Very high144 Ų14445.7 Ų45.754%0.54325%0.251SS..Hα-helixtrans-58.7-42.3176-71172178.3174.5-1.6111.7I136 E137 F138 M143 S144 Q459I136-R140 WeakPolarHBondContact O-CG 3.46Å; I136-R140 PolarHBondContact O-N 3.49Å; I136-R140 VanDerWaalsContact O-N 3.08Å; E137-R140 WeakPolarHBondContact O-CB 3.46Å; E137-R140 PolarHBondContact O-N 3.32Å; E137-R140 IonicContact OE1-CZ 3.76Å; E137-R140 IonicContact OE1-NE 2.7Å; E137-R140 IonicContact OE1-NH1 2.63Å; E137-R140 PolarHBondContact OE1-NH1 2.98Å; F138-R140 VanDerWaalsContact C-N 3.33Å; F138-R140 PolarHBondContact O-N 2.93Å; R140-M143 PolarHBondContact O-N 3.48Å; R140-S144 WeakPolarHBondContact O-CB 3.37Å; R140-S144 PolarHBondContact O-N 2.78Å; R140-S144 PolarHBondContact O-OG 3.01Å; R140-Q459 HydrophobicContact CB-CG 4.35Å
141G95.7Very high94.7Very high0 Ų049.6 Ų49.60%026%0.259CS..Hα-helixtrans-59.7-49.417500000112.5E137 F138 R139 M143 S144 A145E137-G141 PolarHBondContact O-N 3.38Å; F138-G141 WeakPolarHBondContact O-CA 3.34Å; F138-G141 PolarHBondContact O-N 3.02Å; F138-G141 VanDerWaalsContact O-N 3.1Å; R139-G141 VanDerWaalsContact C-N 3.29Å; R139-G141 PolarHBondContact O-N 3.4Å; G141-M143 PolarHBondContact O-N 3.09Å; G141-S144 PolarHBondContact O-N 3.23Å; G141-S144 PolarHBondContact O-OG 2.68Å; G141-A145 PolarHBondContact O-N 3.35Å
142V96.3Very high95Very high0 Ų045.7 Ų45.70%024%0.243CC..Hα-helixtrans-57.6-50176.8171.30000111.3I121 F138 R139 S144 A145 V146 V466 A531I121-V142 HydrophobicContact CG2-CG1 4.5Å; F138-V142 HydrophobicContact CD1-CG2 4.44Å; F138-V142 HydrophobicContact CD2-CG2 4.34Å; F138-V142 HydrophobicContact CE1-CG2 3.88Å; F138-V142 HydrophobicContact CE2-CG2 3.73Å; F138-V142 HydrophobicContact CZ-CG2 3.5Å; F138-V142 PolarHBondContact O-N 2.98Å; R139-V142 PolarHBondContact O-N 3.46Å; V142-S144 VanDerWaalsContact C-N 3.34Å; V142-S144 PolarHBondContact O-N 2.96Å; V142-A145 WeakPolarHBondContact O-CB 3.32Å; V142-A145 PolarHBondContact O-N 2.87Å; V142-V146 HydrophobicContact CG1-CG2 4.44Å; V142-V146 WeakPolarHBondContact O-CG2 3.23Å; V142-V146 PolarHBondContact O-N 2.71Å; V142-V466 HydrophobicContact CB-CG2 4.17Å; V142-V466 HydrophobicContact CG1-CG2 3.75Å; V142-V466 HydrophobicContact CG2-CG2 4.19Å; V142-A531 HydrophobicContact CG1-CB 3.91Å
143M96.1Very high95.3Very high55 Ų5542.4 Ų42.427%0.27121%0.209SC..Hα-helixtrans-62.7-41-179.1-64.4-53.7-60.400112R139 R140 G141 A145 V146 D147R139-M143 HydrophobicContact CG-CG 4.4Å; R139-M143 WeakPolarHBondContact O-CG 3.4Å; R139-M143 PolarHBondContact O-N 2.79Å; R140-M143 PolarHBondContact O-N 3.48Å; G141-M143 PolarHBondContact O-N 3.09Å; M143-A145 VanDerWaalsContact C-N 3.32Å; M143-A145 PolarHBondContact O-N 3.46Å; M143-V146 PolarHBondContact O-N 2.86Å; M143-D147 PolarHBondContact O-N 3.39Å
144S95.8Very high95.6Very high41 Ų4147.3 Ų47.329%0.28723%0.227SC..Hα-helixtrans-63.7-36.3177.370.60000113.1R140 G141 V142 A148R140-S144 WeakPolarHBondContact O-CB 3.37Å; R140-S144 PolarHBondContact O-N 2.78Å; R140-S144 PolarHBondContact O-OG 3.01Å; G141-S144 PolarHBondContact O-N 3.23Å; G141-S144 PolarHBondContact O-OG 2.68Å; V142-S144 VanDerWaalsContact C-N 3.34Å; V142-S144 PolarHBondContact O-N 2.96Å; S144-A148 PolarHBondContact O-N 2.92Å
145A97Very high95.6Very high0 Ų047.7 Ų47.70%024%0.235CC..Hα-helixtrans-67.1-43.7173.900000111.7G141 V142 M143 A148 V149 L449 L452 V463 V466G141-A145 PolarHBondContact O-N 3.35Å; V142-A145 WeakPolarHBondContact O-CB 3.32Å; V142-A145 PolarHBondContact O-N 2.87Å; M143-A145 VanDerWaalsContact C-N 3.32Å; M143-A145 PolarHBondContact O-N 3.46Å; A145-A148 PolarHBondContact O-N 2.71Å; A145-V149 WeakPolarHBondContact O-CG2 3.34Å; A145-V149 PolarHBondContact O-N 3.01Å; A145-L449 HydrophobicContact CB-CD2 3.64Å; A145-L452 HydrophobicContact CB-CD2 4.28Å; A145-V463 HydrophobicContact CB-CB 4.4Å; A145-V463 HydrophobicContact CB-CG1 4.35Å; A145-V463 HydrophobicContact CB-CG2 4.18Å; A145-V466 HydrophobicContact CB-CB 3.86Å; A145-V466 HydrophobicContact CB-CG1 4.02Å; A145-V466 HydrophobicContact CB-CG2 3.93Å
146V96.9Very high95.6Very high1 Ų147.6 Ų47.61%0.00623%0.233CC..Hα-helixtrans-60.6-46.8176.5172.80000110.6V142 M143 A148 V149 V150 L527 V528 A531V142-V146 HydrophobicContact CG1-CG2 4.44Å; V142-V146 WeakPolarHBondContact O-CG2 3.23Å; V142-V146 PolarHBondContact O-N 2.71Å; M143-V146 PolarHBondContact O-N 2.86Å; V146-A148 VanDerWaalsContact C-N 3.26Å; V146-A148 PolarHBondContact O-N 3.39Å; V146-V149 PolarHBondContact O-N 3.36Å; V146-V149 VanDerWaalsContact O-N 3.11Å; V146-V150 HydrophobicContact CG1-CG2 4.09Å; V146-V150 VanDerWaalsContact O-CG2 3.29Å; V146-V150 WeakPolarHBondContact O-CG2 3.28Å; V146-V150 PolarHBondContact O-N 2.91Å; V146-L527 HydrophobicContact CG1-CD2 4.41Å; V146-L527 HydrophobicContact CG1-CG 4.25Å; V146-L527 HydrophobicContact CG2-CD1 4.5Å; V146-L527 HydrophobicContact CG2-CG 4.31Å; V146-V528 HydrophobicContact CG1-CG2 3.81Å; V146-A531 HydrophobicContact CG2-CB 3.46Å; V146-A531 VanDerWaalsContact CG2-CB 3.46Å
147D96.3Very high95.7Very high92 Ų9244.6 Ų44.649%0.49222%0.22SC..Hα-helixtrans-57.9-38.7177.9-71.5-21.3000112.5M143 K151M143-D147 PolarHBondContact O-N 3.39Å; D147-K151 WeakPolarHBondContact O-CG 3.39Å; D147-K151 PolarHBondContact O-N 3.22Å
148A96.8Very high95.5Very high16 Ų1648 Ų4813%0.13223%0.234CC..Hα-helixtrans-67.2-44.8175.400000111.9S144 A145 V146 K151 E152 I448 L449 L452S144-A148 PolarHBondContact O-N 2.92Å; A145-A148 PolarHBondContact O-N 2.71Å; V146-A148 VanDerWaalsContact C-N 3.26Å; V146-A148 PolarHBondContact O-N 3.39Å; A148-K151 PolarHBondContact O-N 2.85Å; A148-E152 PolarHBondContact O-N 3.36Å; A148-E152 VanDerWaalsContact O-N 3.11Å; A148-I448 HydrophobicContact CB-CG1 4.44Å; A148-L449 HydrophobicContact CB-CD2 4.46Å; A148-L452 HydrophobicContact CB-CD1 4.35Å; A148-L452 HydrophobicContact CB-CD2 4.39Å
149V97.1Very high95.5Very high0 Ų053.2 Ų53.20%027%0.268CS..Hα-helixtrans-63.4-41.3176.9172.40000111.2A145 V146 K151 E152 L153 C445 L449 L470 L527A145-V149 WeakPolarHBondContact O-CG2 3.34Å; A145-V149 PolarHBondContact O-N 3.01Å; V146-V149 PolarHBondContact O-N 3.36Å; V146-V149 VanDerWaalsContact O-N 3.11Å; V149-K151 VanDerWaalsContact C-N 3.34Å; V149-K151 PolarHBondContact O-N 2.86Å; V149-E152 PolarHBondContact O-N 2.77Å; V149-L153 HydrophobicContact CG1-CD1 4.01Å; V149-L153 HydrophobicContact CG1-CG 4.22Å; V149-L153 WeakPolarHBondContact O-CG 3.31Å; V149-L153 PolarHBondContact O-N 3.07Å; V149-C445 HydrophobicContact CB-CB 4.35Å; V149-C445 HydrophobicContact CG1-CB 3.76Å; V149-C445 HydrophobicContact CG2-CB 4.12Å; V149-L449 HydrophobicContact CG2-CD1 3.83Å; V149-L449 HydrophobicContact CG2-CD2 3.83Å; V149-L449 HydrophobicContact CG2-CG 3.87Å; V149-L470 HydrophobicContact CG1-CD2 4.43Å; V149-L470 HydrophobicContact CG2-CD1 3.93Å; V149-L527 HydrophobicContact CB-CD2 3.94Å; V149-L527 HydrophobicContact CG1-CD2 3.41Å; V149-L527 VanDerWaalsContact CG1-CD2 3.41Å
150V96.5Very high95.1Very high20 Ų2051.3 Ų51.312%0.12126%0.263CS..Hα-helixtrans-63.2-40.2178.6169.40000111.6V146 E152 L153 K154 R524 V528V146-V150 HydrophobicContact CG1-CG2 4.09Å; V146-V150 VanDerWaalsContact O-CG2 3.29Å; V146-V150 WeakPolarHBondContact O-CG2 3.28Å; V146-V150 PolarHBondContact O-N 2.91Å; V150-E152 VanDerWaalsContact C-N 3.32Å; V150-L153 PolarHBondContact O-N 3.41Å; V150-K154 WeakPolarHBondContact O-CG 3.48Å; V150-K154 PolarHBondContact O-N 2.95Å; V150-K154 VanDerWaalsContact O-N 3.09Å; V150-R524 HydrophobicContact CB-CG 4.39Å; V150-R524 HydrophobicContact CG1-CG 3.75Å; V150-R524 HydrophobicContact CG2-CG 3.85Å; V150-V528 HydrophobicContact CG2-CG2 3.8Å
151K96.1Very high94.4Very high154 Ų15449.3 Ų49.367%0.6727%0.271SS*.Hα-helixtrans-63.2-40.7174.3-72.5171.9-175.7175.80111.8D147 A148 V149 K154 S155D147-K151 WeakPolarHBondContact O-CG 3.39Å; D147-K151 PolarHBondContact O-N 3.22Å; A148-K151 PolarHBondContact O-N 2.85Å; V149-K151 VanDerWaalsContact C-N 3.34Å; V149-K151 PolarHBondContact O-N 2.86Å; K151-K154 PolarHBondContact O-N 3.36Å; K151-S155 PolarHBondContact O-N 3.1Å; K151-S155 VanDerWaalsContact O-N 3.08Å
152E95.7Very high93.9Very high64 Ų6451.6 Ų51.630%0.29929%0.285SS..Hα-helixtrans-69.9-39.4177.6-168.363.8-170.100112.3A148 V149 V150 K154 S155 L156 I448A148-E152 PolarHBondContact O-N 3.36Å; A148-E152 VanDerWaalsContact O-N 3.11Å; V149-E152 PolarHBondContact O-N 2.77Å; V150-E152 VanDerWaalsContact C-N 3.32Å; E152-K154 VanDerWaalsContact C-N 3.26Å; E152-K154 PolarHBondContact O-N 3.44Å; E152-S155 WeakPolarHBondContact CA-OG 3.48Å; E152-S155 PolarHBondContact O-N 2.93Å; E152-S155 VanDerWaalsContact O-N 3.11Å; E152-S155 PolarHBondContact O-OG 3.48Å; E152-S155 PolarHBondContact OE2-OG 3.21Å; E152-L156 HydrophobicContact CG-CD1 4.29Å; E152-L156 WeakPolarHBondContact O-CB 3.4Å; E152-L156 VanDerWaalsContact O-CG 3.3Å; E152-L156 WeakPolarHBondContact O-CG 3.43Å; E152-L156 PolarHBondContact O-N 3.22Å; E152-I448 HydrophobicContact CB-CG2 4.09Å; E152-I448 HydrophobicContact CG-CG2 4.15Å
153L95.6Very high93.4Very high1 Ų154.7 Ų54.71%0.00531%0.305CS..Hα-helixtrans-59.7-39.3173.2-75172.1000111.5V149 V150 L156 S157 A441 L442 V523V149-L153 HydrophobicContact CG1-CD1 4.01Å; V149-L153 HydrophobicContact CG1-CG 4.22Å; V149-L153 WeakPolarHBondContact O-CG 3.31Å; V149-L153 PolarHBondContact O-N 3.07Å; V150-L153 PolarHBondContact O-N 3.41Å; L153-L156 PolarHBondContact O-N 2.82Å; L153-S157 PolarHBondContact O-N 2.85Å; L153-A441 HydrophobicContact CD2-CB 3.86Å; L153-L442 HydrophobicContact CD1-CD2 4.21Å; L153-V523 HydrophobicContact CD1-CG1 3.93Å; L153-V523 HydrophobicContact CD2-CG1 4.11Å
154K94.9Very high93Very high120 Ų12058 Ų5852%0.52232%0.319SS..Hα-helixtrans-67.7-33.8175.1-72.9-176.3176.7-169.50112.9V150 K151 E152V150-K154 WeakPolarHBondContact O-CG 3.48Å; V150-K154 PolarHBondContact O-N 2.95Å; V150-K154 VanDerWaalsContact O-N 3.09Å; K151-K154 PolarHBondContact O-N 3.36Å; E152-K154 VanDerWaalsContact C-N 3.26Å; E152-K154 PolarHBondContact O-N 3.44Å
155S95Very high92.6Very high79 Ų7958 Ų5855%0.55232%0.315SS*.Hα-helixtrans-73.7-31.1175.971.90000112.4K151 E152K151-S155 PolarHBondContact O-N 3.1Å; K151-S155 VanDerWaalsContact O-N 3.08Å; E152-S155 WeakPolarHBondContact CA-OG 3.48Å; E152-S155 PolarHBondContact O-N 2.93Å; E152-S155 VanDerWaalsContact O-N 3.11Å; E152-S155 PolarHBondContact O-OG 3.48Å; E152-S155 PolarHBondContact OE2-OG 3.21Å
156L93Very high92.3Very high27 Ų2758.9 Ų58.914%0.14132%0.32CS..Hα-helixtrans-77.1-22.2174.5-68.4173.4000113.4E152 L153 V435 R444E152-L156 HydrophobicContact CG-CD1 4.29Å; E152-L156 WeakPolarHBondContact O-CB 3.4Å; E152-L156 VanDerWaalsContact O-CG 3.3Å; E152-L156 WeakPolarHBondContact O-CG 3.43Å; E152-L156 PolarHBondContact O-N 3.22Å; L153-L156 PolarHBondContact O-N 2.82Å; L156-V435 HydrophobicContact CB-CG1 4.36Å; L156-R444 HydrophobicContact CD1-CB 4Å
157S94.7Very high92.1Very high25 Ų2559.5 Ų59.518%0.17533%0.325CS..  trans-62.6138.2-175.9-169.20000112.2L153 E432 I434 T520L153-S157 PolarHBondContact O-N 2.85Å; S157-E432 PolarHBondContact OG-O 3.25Å; S157-I434 WeakPolarHBondContact CA-O 3.32Å; S157-T520 WeakPolarHBondContact CB-OG1 3.37Å; S157-T520 PolarHBondContact OG-OG1 2.81Å
158K92.7Very high91.8Very high99 Ų9958.2 Ų58.243%0.4332%0.316SS..BIsolated β-bridgetrans-112.2131.6170.6-66-178.3-178177.30109.8G433 I434 I512K158-G433 CarbonylContact O-C 3.51Å; K158-G433 WeakPolarHBondContact O-CA 3.4Å; K158-I434 HydrophobicContact CB-CG1 4.35Å; K158-I434 PolarHBondContact N-O 3.01Å; K158-I434 WeakPolarHBondContact O-CG1 3.28Å; K158-I434 PolarHBondContact O-N 3.34Å; K158-I512 HydrophobicContact CD-CD1 4.2Å
159P92.6Very high91.5Very high109 Ų10957.5 Ų57.571%0.70831%0.31SS*.  trans-66.5141.7175.128.1-33.2000110.6
160I87.3Confident91.3Very high31 Ų3157.5 Ų57.516%0.15931%0.31CS..  trans-73.8133.2171.7-67.2-174.8000109.1E165 I166 V169 A429 I434I160-E165 HydrophobicContact CG2-CB 3.95Å; I160-I166 HydrophobicContact CG2-CD1 4.47Å; I160-I166 HydrophobicContact CG2-CG1 3.73Å; I160-V169 HydrophobicContact CD1-CG2 3.98Å; I160-A429 HydrophobicContact CD1-CB 3.36Å; I160-A429 HydrophobicContact CG1-CB 4.48Å; I160-I434 HydrophobicContact CD1-CG2 3.64Å; I160-I434 HydrophobicContact CG1-CD1 4.4Å; I160-I434 HydrophobicContact CG1-CG1 4.29Å; I160-I434 HydrophobicContact CG1-CG2 3.74Å
161S79.6Confident91.1Very high102 Ų10257.5 Ų57.571%0.71331%0.31SS*.  trans-127.3-21179.162.40000113.6E165S161-E165 PolarHBondContact N-OE2 2.86Å
162T85.9Confident90.8Very high48 Ų4852.6 Ų52.629%0.29429%0.29SS..SBendtrans-115.6145.8-171.664.60000112.7E164 E165 I166T162-E164 WeakPolarHBondContact CB-OE2 3.33Å; T162-E164 PolarHBondContact O-N 2.88Å; T162-E165 PolarHBondContact N-OE2 3.39Å; T162-E165 PolarHBondContact O-N 3.14Å; T162-E165 WeakPolarHBondContact OG1-CG 3.48Å; T162-E165 PolarHBondContact OG1-N 3.12Å; T162-E165 PolarHBondContact OG1-OE2 2.77Å; T162-I166 PolarHBondContact O-N 2.8Å
163P85.9Confident90.5Very high65 Ų6550.3 Ų50.342%0.42228%0.281SS..Hα-helixtrans-58.6-28.1171.4-24.434.3000113.6I166 A167P163-I166 WeakPolarHBondContact O-CB 2.99Å; P163-I166 PolarHBondContact O-N 2.7Å; P163-A167 PolarHBondContact O-N 3.26Å
164E88.2Confident90.2Very high123 Ų12350.2 Ų50.258%0.57528%0.281SS*.Hα-helixtrans-66.3-42.2177.6-66.571-156.500111.4T162 I166 A167 Q168T162-E164 WeakPolarHBondContact CB-OE2 3.33Å; T162-E164 PolarHBondContact O-N 2.88Å; E164-I166 VanDerWaalsContact C-N 3.33Å; E164-I166 PolarHBondContact O-N 3.24Å; E164-A167 PolarHBondContact O-N 3.03Å; E164-Q168 VanDerWaalsContact O-CG 3.3Å; E164-Q168 WeakPolarHBondContact O-CG 3.35Å; E164-Q168 PolarHBondContact O-N 2.56Å
165E87.8Confident89.9Confident42 Ų4247.4 Ų47.420%0.19627%0.271CS..Hα-helixtrans-62.9-39.6173.4-74.3161.8158.500111.6I160 S161 T162 A167 Q168 V169I160-E165 HydrophobicContact CG2-CB 3.95Å; S161-E165 PolarHBondContact N-OE2 2.86Å; T162-E165 PolarHBondContact N-OE2 3.39Å; T162-E165 PolarHBondContact O-N 3.14Å; T162-E165 WeakPolarHBondContact OG1-CG 3.48Å; T162-E165 PolarHBondContact OG1-N 3.12Å; T162-E165 PolarHBondContact OG1-OE2 2.77Å; E165-A167 VanDerWaalsContact C-N 3.34Å; E165-A167 PolarHBondContact O-N 3.33Å; E165-Q168 WeakPolarHBondContact O-CB 3.04Å; E165-Q168 PolarHBondContact O-N 2.74Å; E165-V169 WeakPolarHBondContact O-CG2 3.49Å; E165-V169 PolarHBondContact O-N 2.74Å
166I89.5Confident89.5Confident19 Ų1946 Ų4610%0.09727%0.269CS..Hα-helixtrans-59.2-46.7174.4-65.6179.3000110.3I160 T162 P163 E164 Q168 V169 A170 A185 M188 T426 I430I160-I166 HydrophobicContact CG2-CD1 4.47Å; I160-I166 HydrophobicContact CG2-CG1 3.73Å; T162-I166 PolarHBondContact O-N 2.8Å; P163-I166 WeakPolarHBondContact O-CB 2.99Å; P163-I166 PolarHBondContact O-N 2.7Å; E164-I166 VanDerWaalsContact C-N 3.33Å; E164-I166 PolarHBondContact O-N 3.24Å; I166-Q168 VanDerWaalsContact C-N 3.33Å; I166-Q168 PolarHBondContact O-N 2.96Å; I166-V169 PolarHBondContact O-N 3.21Å; I166-A170 WeakPolarHBondContact O-CB 3.4Å; I166-A170 PolarHBondContact O-N 2.92Å; I166-A170 VanDerWaalsContact O-N 3.08Å; I166-A185 HydrophobicContact CG2-CB 4.25Å; I166-M188 HydrophobicContact CG2-SD 3.75Å; I166-T426 HydrophobicContact CB-CG2 4.3Å; I166-T426 HydrophobicContact CG2-CG2 3.41Å; I166-T426 VanDerWaalsContact CG2-CG2 3.41Å; I166-I430 HydrophobicContact CD1-CD1 4.43Å
167A92.1Very high89.4Confident14 Ų1446.7 Ų46.712%0.11627%0.273CS..Hα-helixtrans-64.2-37.1177.100000112.2P163 E164 E165 T171 A185P163-A167 PolarHBondContact O-N 3.26Å; E164-A167 PolarHBondContact O-N 3.03Å; E165-A167 VanDerWaalsContact C-N 3.34Å; E165-A167 PolarHBondContact O-N 3.33Å; A167-T171 VanDerWaalsContact O-CB 3.28Å; A167-T171 WeakPolarHBondContact O-CB 3.16Å; A167-T171 PolarHBondContact O-N 2.63Å; A167-T171 PolarHBondContact O-OG1 2.8Å; A167-A185 HydrophobicContact CB-CB 3.85Å
168Q90.5Very high89.2Confident65 Ų6552.7 Ų52.730%0.30430%0.296SS..Hα-helixtrans-63.8-51.1176.2-74.5172.1-3.800111.7E164 E165 I166 A170 T171 I172 I517E164-Q168 VanDerWaalsContact O-CG 3.3Å; E164-Q168 WeakPolarHBondContact O-CG 3.35Å; E164-Q168 PolarHBondContact O-N 2.56Å; E165-Q168 WeakPolarHBondContact O-CB 3.04Å; E165-Q168 PolarHBondContact O-N 2.74Å; I166-Q168 VanDerWaalsContact C-N 3.33Å; I166-Q168 PolarHBondContact O-N 2.96Å; Q168-A170 VanDerWaalsContact C-N 3.29Å; Q168-A170 PolarHBondContact O-N 2.95Å; Q168-T171 PolarHBondContact O-N 3.17Å; Q168-T171 VanDerWaalsContact O-N 3.15Å; Q168-I172 WeakPolarHBondContact O-CG1 3.21Å; Q168-I172 PolarHBondContact O-N 3.4Å; Q168-I517 HydrophobicContact CB-CD1 3.93Å; Q168-I517 HydrophobicContact CB-CG1 4.4Å
169V91.4Very high89.2Confident0 Ų050.5 Ų50.50%030%0.296CS..Hα-helixtrans-56.1-47.2176.5174.30000110.7I160 E165 I166 T171 I172 S173 A425 A429 I434 I517 P519I160-V169 HydrophobicContact CD1-CG2 3.98Å; E165-V169 WeakPolarHBondContact O-CG2 3.49Å; E165-V169 PolarHBondContact O-N 2.74Å; I166-V169 PolarHBondContact O-N 3.21Å; V169-T171 PolarHBondContact O-N 2.81Å; V169-I172 PolarHBondContact O-N 3.29Å; V169-S173 WeakPolarHBondContact O-CB 3.47Å; V169-S173 PolarHBondContact O-N 3.22Å; V169-S173 PolarHBondContact O-OG 3.16Å; V169-A425 HydrophobicContact CG1-CB 4.26Å; V169-A429 HydrophobicContact CG1-CB 3.95Å; V169-A429 HydrophobicContact CG2-CB 4Å; V169-I434 HydrophobicContact CG2-CG2 3.77Å; V169-I517 HydrophobicContact CG2-CD1 3.53Å; V169-I517 HydrophobicContact CG2-CG1 3.92Å; V169-P519 HydrophobicContact CG1-CG 3.99Å
170A92.8Very high89.2Confident0 Ų045.3 Ų45.30%026%0.262CS..Hα-helixtrans-62.9-41179.300000112I166 Q168 A174 I184 A422 T426I166-A170 WeakPolarHBondContact O-CB 3.4Å; I166-A170 PolarHBondContact O-N 2.92Å; I166-A170 VanDerWaalsContact O-N 3.08Å; Q168-A170 VanDerWaalsContact C-N 3.29Å; Q168-A170 PolarHBondContact O-N 2.95Å; A170-A174 WeakPolarHBondContact O-CB 3.43Å; A170-A174 PolarHBondContact O-N 3.35Å; A170-I184 HydrophobicContact CB-CB 4.06Å; A170-I184 HydrophobicContact CB-CD1 4.13Å; A170-I184 HydrophobicContact CB-CG2 3.98Å; A170-A422 WeakPolarHBondContact O-CB 3.31Å; A170-T426 WeakPolarHBondContact CB-OG1 3.45Å
171T92.5Very high89.5Confident20 Ų2043.8 Ų43.812%0.12326%0.255CS..Hα-helixtrans-63.8-46.2178.4-62.30000111.8A167 Q168 V169 A174 G176 D177 K178A167-T171 VanDerWaalsContact O-CB 3.28Å; A167-T171 WeakPolarHBondContact O-CB 3.16Å; A167-T171 PolarHBondContact O-N 2.63Å; A167-T171 PolarHBondContact O-OG1 2.8Å; Q168-T171 PolarHBondContact O-N 3.17Å; Q168-T171 VanDerWaalsContact O-N 3.15Å; V169-T171 PolarHBondContact O-N 2.81Å; T171-A174 PolarHBondContact O-N 3.4Å; T171-G176 VanDerWaalsContact O-CA 3.26Å; T171-G176 WeakPolarHBondContact O-CA 3.4Å; T171-G176 PolarHBondContact O-N 3.31Å; T171-D177 PolarHBondContact O-N 3.44Å; T171-K178 HydrophobicContact CG2-CG 3.85Å
172I90Very high90.2Very high52 Ų5243.4 Ų43.427%0.26725%0.245SC..Hα-helixtrans-63.7-48.3-180-66.1-59.2000110.4Q168 V169 A174 N175 G515 I516Q168-I172 WeakPolarHBondContact O-CG1 3.21Å; Q168-I172 PolarHBondContact O-N 3.4Å; V169-I172 PolarHBondContact O-N 3.29Å; I172-A174 PolarHBondContact O-N 3.3Å; I172-N175 PolarHBondContact O-N 3.03Å; I172-N175 VanDerWaalsContact O-N 3.07Å; I172-G515 WeakPolarHBondContact CD1-O 3.47Å; I172-G515 WeakPolarHBondContact CG1-O 3.11Å; I172-I516 HydrophobicContact CD1-CB 4.5Å; I172-I516 HydrophobicContact CD1-CG1 4.32Å; I172-I516 HydrophobicContact CD1-CG2 4.49Å
173S88.7Confident90.5Very high15 Ų1543 Ų4311%0.10524%0.241CC..Hα-helixtrans-64-28.7179.4-50.10000112.2V169 N175 A425V169-S173 WeakPolarHBondContact O-CB 3.47Å; V169-S173 PolarHBondContact O-N 3.22Å; V169-S173 PolarHBondContact O-OG 3.16Å; S173-N175 PolarHBondContact O-N 3.11Å; S173-A425 WeakPolarHBondContact OG-CB 3.12Å
174A89.9Confident90.8Very high0 Ų039.9 Ų39.90%022%0.22CC..THydrogen-bonded Turntrans-82.419.1174.700000114.4A170 T171 I172 D177 I180 R418 A422A170-A174 WeakPolarHBondContact O-CB 3.43Å; A170-A174 PolarHBondContact O-N 3.35Å; T171-A174 PolarHBondContact O-N 3.4Å; I172-A174 PolarHBondContact O-N 3.3Å; A174-D177 HydrophobicContact CB-CB 4.14Å; A174-D177 WeakPolarHBondContact O-CB 3.15Å; A174-I180 HydrophobicContact CB-CB 3.76Å; A174-I180 HydrophobicContact CB-CD1 4.08Å; A174-I180 HydrophobicContact CB-CG1 4.46Å; A174-I180 HydrophobicContact CB-CG2 3.48Å; A174-I180 VanDerWaalsContact CB-CG2 3.48Å; A174-R418 PolarHBondContact O-NH1 3.44Å; A174-A422 HydrophobicContact CB-CB 4.09Å
175N87.6Confident91Very high60 Ų6034.8 Ų34.832%0.32120%0.199SC..THydrogen-bonded Turntrans61.137.9-175.8-67.4-39.6000114.2K73 I172 S173K73-N175 WeakPolarHBondContact CD-ND2 3.21Å; I172-N175 PolarHBondContact O-N 3.03Å; I172-N175 VanDerWaalsContact O-N 3.07Å; S173-N175 PolarHBondContact O-N 3.11Å
176G86.3Confident91.1Very high49 Ų4935.8 Ų35.851%0.50521%0.208SC..SBendtrans84.711.5177.600000114.7T171 K178T171-G176 VanDerWaalsContact O-CA 3.26Å; T171-G176 WeakPolarHBondContact O-CA 3.4Å; T171-G176 PolarHBondContact O-N 3.31Å; G176-K178 PolarHBondContact O-N 3.22Å
177D90.8Very high91.1Very high42 Ų4234.9 Ų34.923%0.22520%0.204CC..  trans-82.797.8-179.9-166.2-24.5000111.3T171 A174 A179 I180 G181 R418T171-D177 PolarHBondContact O-N 3.44Å; A174-D177 HydrophobicContact CB-CB 4.14Å; A174-D177 WeakPolarHBondContact O-CB 3.15Å; D177-A179 VanDerWaalsContact C-N 3.26Å; D177-A179 PolarHBondContact O-N 2.96Å; D177-A179 WeakPolarHBondContact OD1-CB 3.1Å; D177-A179 PolarHBondContact OD1-N 2.98Å; D177-A179 VanDerWaalsContact OD1-N 3.13Å; D177-I180 HydrophobicContact CB-CB 4.2Å; D177-I180 HydrophobicContact CB-CD1 4.02Å; D177-I180 HydrophobicContact CB-CG1 4.03Å; D177-I180 PolarHBondContact O-N 3.33Å; D177-I180 PolarHBondContact OD1-N 3.1Å; D177-I180 WeakPolarHBondContact OD2-CD1 3.18Å; D177-G181 PolarHBondContact O-N 3.06Å; D177-R418 IonicContact OD2-CZ 3.62Å; D177-R418 IonicContact OD2-NH1 2.86Å; D177-R418 PolarHBondContact OD2-NH1 3.47Å; D177-R418 IonicContact OD2-NH2 2.94Å
178K91.8Very high90.9Very high152 Ų15234.4 Ų34.466%0.66120%0.199SC*.Hα-helixtrans-61.3-33.4-179.9-67.9-174.8177.5-172.80112.9T171 G176 I180 G181 D182T171-K178 HydrophobicContact CG2-CG 3.85Å; G176-K178 PolarHBondContact O-N 3.22Å; K178-I180 VanDerWaalsContact C-N 3.31Å; K178-I180 PolarHBondContact O-N 2.96Å; K178-G181 PolarHBondContact O-N 3.18Å; K178-D182 WeakPolarHBondContact O-CB 3.4Å; K178-D182 VanDerWaalsContact O-CG 3.27Å; K178-D182 PolarHBondContact O-N 3.39Å
179A92.6Very high90.8Very high52 Ų5239.4 Ų39.443%0.4322%0.22SC..Hα-helixtrans-65.8-38.5-179.300000111.3D177 L183D177-A179 VanDerWaalsContact C-N 3.26Å; D177-A179 PolarHBondContact O-N 2.96Å; D177-A179 WeakPolarHBondContact OD1-CB 3.1Å; D177-A179 PolarHBondContact OD1-N 2.98Å; D177-A179 VanDerWaalsContact OD1-N 3.13Å; A179-L183 WeakPolarHBondContact O-CB 3.5Å; A179-L183 WeakPolarHBondContact O-CG 3.34Å; A179-L183 PolarHBondContact O-N 3.34Å; A179-L183 VanDerWaalsContact O-N 3.15Å
180I93.2Very high90.4Very high0 Ų045.8 Ų45.80%025%0.248CC..Hα-helixtrans-63.4-47.4172.8-65.3-173.5000110.4A174 D177 K178 D182 L183 I184 K415 R418 Y419 A422A174-I180 HydrophobicContact CB-CB 3.76Å; A174-I180 HydrophobicContact CB-CD1 4.08Å; A174-I180 HydrophobicContact CB-CG1 4.46Å; A174-I180 HydrophobicContact CB-CG2 3.48Å; A174-I180 VanDerWaalsContact CB-CG2 3.48Å; D177-I180 HydrophobicContact CB-CB 4.2Å; D177-I180 HydrophobicContact CB-CD1 4.02Å; D177-I180 HydrophobicContact CB-CG1 4.03Å; D177-I180 PolarHBondContact O-N 3.33Å; D177-I180 PolarHBondContact OD1-N 3.1Å; D177-I180 WeakPolarHBondContact OD2-CD1 3.18Å; K178-I180 VanDerWaalsContact C-N 3.31Å; K178-I180 PolarHBondContact O-N 2.96Å; I180-D182 PolarHBondContact O-N 3.15Å; I180-L183 PolarHBondContact O-N 3.34Å; I180-I184 HydrophobicContact CG2-CD1 3.72Å; I180-I184 HydrophobicContact CG2-CG1 4.46Å; I180-I184 WeakPolarHBondContact O-CG1 3.46Å; I180-I184 PolarHBondContact O-N 3.33Å; I180-K415 HydrophobicContact CD1-CG 4.22Å; I180-R418 HydrophobicContact CD1-CB 4.22Å; I180-R418 VanDerWaalsContact CD1-NH1 3.33Å; I180-Y419 HydrophobicContact CB-CD1 4.47Å; I180-Y419 HydrophobicContact CB-CE1 4.02Å; I180-Y419 HydrophobicContact CD1-CD2 4.05Å; I180-Y419 HydrophobicContact CD1-CE2 3.92Å; I180-Y419 HydrophobicContact CD1-CG 4.45Å; I180-Y419 HydrophobicContact CG1-CD1 4.44Å; I180-Y419 HydrophobicContact CG1-CD2 4.31Å; I180-Y419 HydrophobicContact CG1-CE1 3.93Å; I180-Y419 HydrophobicContact CG1-CE2 3.79Å; I180-Y419 HydrophobicContact CG2-CD1 3.64Å; I180-Y419 HydrophobicContact CG2-CE1 3.64Å; I180-Y419 HydrophobicContact CG2-CG 4.19Å; I180-A422 HydrophobicContact CG2-CB 4.24Å
181G93Very high90Very high0 Ų045.9 Ų45.90%025%0.248CC..Hα-helixtrans-59.6-47.3-18000000113.5D177 K178 L183 I184 A185D177-G181 PolarHBondContact O-N 3.06Å; K178-G181 PolarHBondContact O-N 3.18Å; G181-L183 PolarHBondContact O-N 2.78Å; G181-I184 PolarHBondContact O-N 3.37Å; G181-A185 WeakPolarHBondContact O-CB 3.33Å; G181-A185 PolarHBondContact O-N 2.84Å
182D93.3Very high89.3Confident94 Ų9446.3 Ų46.350%0.50326%0.257SS..Hα-helixtrans-64.3-39.1179.4-69.4-24.2000112.1K178 I180 T186K178-D182 WeakPolarHBondContact O-CB 3.4Å; K178-D182 VanDerWaalsContact O-CG 3.27Å; K178-D182 PolarHBondContact O-N 3.39Å; I180-D182 PolarHBondContact O-N 3.15Å; D182-T186 WeakPolarHBondContact O-CB 3.48Å; D182-T186 PolarHBondContact O-N 3.02Å; D182-T186 PolarHBondContact O-OG1 2.84Å
183L93Very high88.5Confident39 Ų3947.8 Ų47.820%0.20427%0.265CS..Hα-helixtrans-67.1-42.2176.8-80.6170.1000112A179 I180 G181 T186 A187 D207 L209 Y419A179-L183 WeakPolarHBondContact O-CB 3.5Å; A179-L183 WeakPolarHBondContact O-CG 3.34Å; A179-L183 PolarHBondContact O-N 3.34Å; A179-L183 VanDerWaalsContact O-N 3.15Å; I180-L183 PolarHBondContact O-N 3.34Å; G181-L183 PolarHBondContact O-N 2.78Å; L183-T186 PolarHBondContact O-N 2.91Å; L183-A187 WeakPolarHBondContact O-CB 3.48Å; L183-A187 PolarHBondContact O-N 2.91Å; L183-D207 HydrophobicContact CD1-CB 3.63Å; L183-L209 HydrophobicContact CD2-CB 3.99Å; L183-L209 HydrophobicContact CD2-CD2 4.41Å; L183-Y419 WeakPolarHBondContact CD1-OH 3.39Å
184I92Very high87.6Confident0 Ų054.7 Ų54.70%030%0.301CS..Hα-helixtrans-63.8-47176.2-71.9172.3000110.6A170 I180 G181 T186 A187 M188 I402 Y419 A422 L423A170-I184 HydrophobicContact CB-CB 4.06Å; A170-I184 HydrophobicContact CB-CD1 4.13Å; A170-I184 HydrophobicContact CB-CG2 3.98Å; I180-I184 HydrophobicContact CG2-CD1 3.72Å; I180-I184 HydrophobicContact CG2-CG1 4.46Å; I180-I184 WeakPolarHBondContact O-CG1 3.46Å; I180-I184 PolarHBondContact O-N 3.33Å; G181-I184 PolarHBondContact O-N 3.37Å; I184-T186 VanDerWaalsContact C-N 3.3Å; I184-T186 PolarHBondContact O-N 3.5Å; I184-A187 WeakPolarHBondContact O-CB 3.5Å; I184-A187 PolarHBondContact O-N 2.88Å; I184-A187 VanDerWaalsContact O-N 3.16Å; I184-M188 HydrophobicContact CG2-SD 4.38Å; I184-M188 PolarHBondContact O-N 3.39Å; I184-I402 HydrophobicContact CG1-CD1 4.12Å; I184-Y419 HydrophobicContact CD1-CD1 4.23Å; I184-Y419 HydrophobicContact CG1-CD1 4.32Å; I184-A422 HydrophobicContact CD1-CB 3.44Å; I184-A422 VanDerWaalsContact CD1-CB 3.44Å; I184-L423 HydrophobicContact CB-CD2 4.35Å; I184-L423 HydrophobicContact CD1-CD2 4.17Å; I184-L423 HydrophobicContact CD1-CG 3.97Å; I184-L423 HydrophobicContact CG1-CD2 3.85Å; I184-L423 HydrophobicContact CG1-CG 4.11Å; I184-L423 HydrophobicContact CG2-CD2 3.76Å
185A91.5Very high86.8Confident15 Ų1555 Ų5512%0.12430%0.304CS..Hα-helixtrans-60.5-40.717700000111.8I166 A167 G181 K189I166-A185 HydrophobicContact CG2-CB 4.25Å; A167-A185 HydrophobicContact CB-CB 3.85Å; G181-A185 WeakPolarHBondContact O-CB 3.33Å; G181-A185 PolarHBondContact O-N 2.84Å; A185-K189 VanDerWaalsContact O-CB 3.3Å; A185-K189 WeakPolarHBondContact O-CB 3.43Å; A185-K189 PolarHBondContact O-N 2.8Å
186T91.7Very high86.5Confident64 Ų6453.5 Ų53.539%0.39330%0.297SS..Hα-helixtrans-64.6-40.5175.2-59.50000112.1D182 L183 I184 K190 L209D182-T186 WeakPolarHBondContact O-CB 3.48Å; D182-T186 PolarHBondContact O-N 3.02Å; D182-T186 PolarHBondContact O-OG1 2.84Å; L183-T186 PolarHBondContact O-N 2.91Å; I184-T186 VanDerWaalsContact C-N 3.3Å; I184-T186 PolarHBondContact O-N 3.5Å; T186-K190 PolarHBondContact O-N 2.84Å; T186-L209 HydrophobicContact CG2-CD2 3.77Å
187A89.3Confident86.4Confident0 Ų051.8 Ų51.80%028%0.276CS..Hα-helixtrans-62.7-53.6176.100000110.6L183 I184 K189 K190 V191 I197 L209 A400L183-A187 WeakPolarHBondContact O-CB 3.48Å; L183-A187 PolarHBondContact O-N 2.91Å; I184-A187 WeakPolarHBondContact O-CB 3.5Å; I184-A187 PolarHBondContact O-N 2.88Å; I184-A187 VanDerWaalsContact O-N 3.16Å; A187-K189 PolarHBondContact O-N 3.48Å; A187-K190 PolarHBondContact O-N 2.88Å; A187-V191 WeakPolarHBondContact O-CG2 3.29Å; A187-V191 PolarHBondContact O-N 2.78Å; A187-I197 HydrophobicContact CB-CD1 3.88Å; A187-I197 HydrophobicContact CB-CG1 4.37Å; A187-I197 HydrophobicContact CB-CG2 4.39Å; A187-L209 HydrophobicContact CB-CD1 3.74Å; A187-L209 HydrophobicContact CB-CD2 4.13Å; A187-A400 HydrophobicContact CB-CB 4.06Å
188M87.7Confident85.9Confident3 Ų350.9 Ų50.92%0.01527%0.272CS..Hα-helixtrans-58.9-42.4179.2-76.1-170159.900112.8I166 I184 K190 G192 I197 T426 R427 I430I166-M188 HydrophobicContact CG2-SD 3.75Å; I184-M188 HydrophobicContact CG2-SD 4.38Å; I184-M188 PolarHBondContact O-N 3.39Å; M188-K190 PolarHBondContact O-N 2.76Å; M188-G192 CarbonylContact O-C 3.55Å; M188-G192 VanDerWaalsContact O-CA 3.24Å; M188-G192 WeakPolarHBondContact O-CA 3.23Å; M188-G192 PolarHBondContact O-N 2.85Å; M188-I197 HydrophobicContact CB-CD1 4.41Å; M188-I197 HydrophobicContact CE-CD1 4.44Å; M188-I197 HydrophobicContact CG-CD1 3.46Å; M188-I197 VanDerWaalsContact CG-CD1 3.46Å; M188-T426 HydrophobicContact CE-CG2 3.58Å; M188-T426 HydrophobicContact SD-CG2 3.33Å; M188-T426 WeakPolarHBondContact SD-CG2 3.28Å; M188-R427 HydrophobicContact CE-CG 3.9Å; M188-I430 HydrophobicContact CE-CD1 4.07Å; M188-I430 HydrophobicContact SD-CD1 3.86Å
189K86.9Confident85.6Confident171 Ų17144.3 Ų44.374%0.74325%0.245SC*.Hα-helixtrans-58.6-31.9176.6-176.1173.9-178.7173.80112.9A185 A187A185-K189 VanDerWaalsContact O-CB 3.3Å; A185-K189 WeakPolarHBondContact O-CB 3.43Å; A185-K189 PolarHBondContact O-N 2.8Å; A187-K189 PolarHBondContact O-N 3.48Å
190K83.8Confident85Confident134 Ų13442.9 Ų42.958%0.58323%0.229SC*.Hα-helixtrans-89.4-40.1-177.4-81.7177168.2-178.70113.7T186 A187 M188 F211T186-K190 PolarHBondContact O-N 2.84Å; A187-K190 PolarHBondContact O-N 2.88Å; M188-K190 PolarHBondContact O-N 2.76Å; K190-F211 HydrophobicContact CB-CD1 4.06Å; K190-F211 HydrophobicContact CB-CE1 3.34Å; K190-F211 HydrophobicContact CB-CZ 3.69Å; K190-F211 HydrophobicContact CD-CD1 4.23Å; K190-F211 HydrophobicContact CD-CD2 3.99Å; K190-F211 HydrophobicContact CD-CE1 3.56Å; K190-F211 HydrophobicContact CD-CE2 3.28Å; K190-F211 HydrophobicContact CD-CG 4.42Å; K190-F211 HydrophobicContact CD-CZ 3.04Å; K190-F211 HydrophobicContact CG-CE1 4.11Å; K190-F211 HydrophobicContact CG-CZ 3.99Å; K190-F211 VanDerWaalsContact NZ-CE2 3.28Å
191V83.4Confident84.5Confident2 Ų246.3 Ų46.31%0.01225%0.247CC..Hα-helixtrans-87.5-13.2178.4-62.90000113.6A187 G195 I197 F211 A400A187-V191 WeakPolarHBondContact O-CG2 3.29Å; A187-V191 PolarHBondContact O-N 2.78Å; V191-G195 WeakPolarHBondContact O-CA 3.5Å; V191-I197 HydrophobicContact CG2-CD1 4.19Å; V191-I197 HydrophobicContact CG2-CG1 3.78Å; V191-F211 HydrophobicContact CG1-CD1 4.22Å; V191-F211 HydrophobicContact CG1-CE1 4.21Å; V191-A400 HydrophobicContact CG1-CB 3.63Å; V191-A400 HydrophobicContact CG2-CB 4.49Å
192G79.3Confident84.1Confident29 Ų2947.1 Ų47.130%0.29926%0.256SS..  trans84.2168.1-170.100000112.3M188 D194 G195M188-G192 CarbonylContact O-C 3.55Å; M188-G192 VanDerWaalsContact O-CA 3.24Å; M188-G192 WeakPolarHBondContact O-CA 3.23Å; M188-G192 PolarHBondContact O-N 2.85Å; G192-D194 VanDerWaalsContact C-N 3.29Å; G192-D194 PolarHBondContact O-N 2.88Å; G192-G195 PolarHBondContact O-N 3.27Å
193N73.4Confident83.7Confident83 Ų8352.9 Ų52.944%0.44428%0.276SS..THydrogen-bonded Turntrans-62.8-36.7-178-65.5-8.9000112.4G195 I430N193-G195 VanDerWaalsContact C-N 3.26Å; N193-G195 PolarHBondContact O-N 3.01Å; N193-I430 HydrophobicContact CB-CD1 4.36Å; N193-I430 HydrophobicContact CB-CG2 4.3Å
194D69Low83.6Confident160 Ų16053.5 Ų53.586%0.85628%0.282SS*.THydrogen-bonded Turntrans-885.8176.8-52.3-47.3000112.8G192G192-D194 VanDerWaalsContact C-N 3.29Å; G192-D194 PolarHBondContact O-N 2.88Å
195G73.6Confident83.5Confident7 Ų759.2 Ų59.27%0.07231%0.311CS..  trans-68.8150-178.800000112.9V191 G192 N193 I197V191-G195 WeakPolarHBondContact O-CA 3.5Å; G192-G195 PolarHBondContact O-N 3.27Å; N193-G195 VanDerWaalsContact C-N 3.26Å; N193-G195 PolarHBondContact O-N 3.01Å; G195-I197 PolarHBondContact O-N 3.16Å
196T80.2Confident83.6Confident28 Ų2865.4 Ų65.417%0.17234%0.338CS..EExtended strand (participates in β ladder)trans-82.9119.3175.3-60.90000110.3K216 L354 V399 A400T196-K216 HydrophobicContact CG2-CB 3.96Å; T196-K216 HydrophobicContact CG2-CD 3.91Å; T196-K216 HydrophobicContact CG2-CG 4.35Å; T196-K216 WeakPolarHBondContact OG1-CB 3.23Å; T196-L354 HydrophobicContact CG2-CD1 3.88Å; T196-V399 HydrophobicContact CG2-CG1 4.07Å; T196-V399 HydrophobicContact CG2-CG2 4.36Å; T196-V399 WeakPolarHBondContact O-CA 3.31Å; T196-A400 PolarHBondContact O-N 3.35Å
197I84.5Confident83.6Confident12 Ų1263.9 Ų63.96%0.06233%0.327CS..EExtended strand (participates in β ladder)trans-113.1130.6169.7-50.4174.5000108.1A187 M188 V191 G195 A400 I402 L423A187-I197 HydrophobicContact CB-CD1 3.88Å; A187-I197 HydrophobicContact CB-CG1 4.37Å; A187-I197 HydrophobicContact CB-CG2 4.39Å; M188-I197 HydrophobicContact CB-CD1 4.41Å; M188-I197 HydrophobicContact CE-CD1 4.44Å; M188-I197 HydrophobicContact CG-CD1 3.46Å; M188-I197 VanDerWaalsContact CG-CD1 3.46Å; V191-I197 HydrophobicContact CG2-CD1 4.19Å; V191-I197 HydrophobicContact CG2-CG1 3.78Å; G195-I197 PolarHBondContact O-N 3.16Å; I197-A400 CarbonylContact C-O 3.38Å; I197-A400 WeakPolarHBondContact CA-O 3.15Å; I197-A400 HydrophobicContact CG1-CB 4.18Å; I197-A400 HydrophobicContact CG2-CB 4.28Å; I197-I402 HydrophobicContact CG2-CD1 3.85Å; I197-I402 HydrophobicContact CG2-CG1 4.19Å; I197-L423 HydrophobicContact CB-CD1 4.4Å; I197-L423 HydrophobicContact CB-CD2 4.02Å; I197-L423 HydrophobicContact CD1-CD2 3.75Å; I197-L423 HydrophobicContact CG1-CD2 4.48Å; I197-L423 HydrophobicContact CG2-CD1 3.84Å; I197-L423 HydrophobicContact CG2-CD2 3.72Å; I197-L423 HydrophobicContact CG2-CG 4.47Å
198T81.4Confident83.8Confident24 Ų2467.5 Ų67.515%0.14734%0.344CS..EExtended strand (participates in β ladder)trans-124.4145.5175.9179.80000110.6L354 M356 V399 A400 V401 I402T198-L354 HydrophobicContact CG2-CD2 3.91Å; T198-M356 HydrophobicContact CG2-SD 4.29Å; T198-V399 HydrophobicContact CG2-CG1 3.85Å; T198-A400 PolarHBondContact N-O 3.36Å; T198-V401 HydrophobicContact CG2-CB 4.07Å; T198-V401 HydrophobicContact CG2-CG1 4.11Å; T198-V401 HydrophobicContact CG2-CG2 3.56Å; T198-V401 CarbonylContact O-C 3.57Å; T198-V401 WeakPolarHBondContact O-CA 3.32Å; T198-I402 PolarHBondContact O-N 3.39Å
199V84.6Confident83.9Confident13 Ų1369.2 Ų69.28%0.07935%0.353CS..EExtended strand (participates in β ladder)trans-111.1131.9179.3-1710000109.6I402 V404 K416 Y419 L423V199-I402 CarbonylContact C-O 3.54Å; V199-I402 WeakPolarHBondContact CA-O 3.32Å; V199-V404 HydrophobicContact CG1-CG2 3.33Å; V199-K416 HydrophobicContact CG1-CG 3.89Å; V199-Y419 HydrophobicContact CG1-CG 4.28Å; V199-L423 HydrophobicContact CG2-CD1 3.26Å
200K80.5Confident83.9Confident22 Ų2263.6 Ų63.610%0.09633%0.329CS..EExtended strand (participates in β ladder)trans-133.9161.3-178.8-66.1-173.6-169.9164.80111.6G202 E345 M356 V401 I402 K403 V404K200-G202 PolarHBondContact O-N 3.4Å; K200-E345 WeakPolarHBondContact CE-OE1 3.39Å; K200-E345 IonicContact NZ-OE1 2.68Å; K200-E345 PolarHBondContact NZ-OE1 2.94Å; K200-E345 IonicContact NZ-OE2 3.46Å; K200-E345 PolarHBondContact NZ-OE2 2.9Å; K200-M356 PolarHBondContact NZ-SD 3.26Å; K200-V401 HydrophobicContact CB-CG1 4.44Å; K200-V401 HydrophobicContact CD-CG1 3.75Å; K200-V401 HydrophobicContact CG-CG1 4.07Å; K200-I402 PolarHBondContact N-O 2.96Å; K200-K403 CarbonylContact O-C 3.48Å; K200-K403 WeakPolarHBondContact O-CA 3.18Å; K200-V404 PolarHBondContact O-N 2.88Å
201D83.1Confident84Confident73 Ų7361 Ų6139%0.3932%0.318SS..EExtended strand (participates in β ladder)trans-71.7122.3174.4-55.715.7000108.1V412 K416D201-V412 HydrophobicContact CB-CG1 4.07Å; D201-K416 VanDerWaalsContact OD1-CD 3.23Å; D201-K416 WeakPolarHBondContact OD1-CD 3.25Å; D201-K416 WeakPolarHBondContact OD1-CE 3.05Å; D201-K416 IonicContact OD1-NZ 2.68Å; D201-K416 PolarHBondContact OD1-NZ 3.4Å
202G84.3Confident83.7Confident17 Ų1761.3 Ų61.318%0.17532%0.32CS..  trans-80.4161.4175.200000112K200 V404K200-G202 PolarHBondContact O-N 3.4Å; G202-V404 WeakPolarHBondContact CA-O 3.42Å; G202-V404 PolarHBondContact N-O 3.45Å
203K85.5Confident83.6Confident214 Ų21466.3 Ų66.393%0.9334%0.335SS*.SBendtrans-102.6-6.3173.1-64.1-174.6-179.5-178.80112.8
204T89.9Confident84Confident53 Ų5363 Ų6333%0.32532%0.321SS..SBendtrans-106.1165.9-17650.80000110.1H206 E208 G405 G406T204-H206 PolarHBondContact OG1-O 2.96Å; T204-E208 WeakPolarHBondContact CB-OE1 3.43Å; T204-E208 WeakPolarHBondContact CG2-OE1 3.35Å; T204-E208 PolarHBondContact OG1-OE1 2.8Å; T204-G405 WeakPolarHBondContact O-CA 3.44Å; T204-G406 PolarHBondContact O-N 2.92Å
205L91Very high84.8Confident119 Ų11956.1 Ų56.162%0.62328%0.284SS*.SBendtrans-73.6-20.9175.9-66.5173.8000112.4
206H91.9Very high85.4Confident146 Ų14658.1 Ų58.168%0.67629%0.291SS*.SBendtrans-108.7153.4-175-58.5-57.1000110.7T204T204-H206 PolarHBondContact OG1-O 2.96Å
207D93.2Very high85.8Confident32 Ų3257 Ų5717%0.17128%0.283CS..  trans-75.5139.8175.1-55.9-32.2000110.1L183 K403 G405 K415 Y419L183-D207 HydrophobicContact CD1-CB 3.63Å; D207-K403 VanDerWaalsContact CA-O 3.3Å; D207-K403 WeakPolarHBondContact CA-O 3.3Å; D207-G405 PolarHBondContact OD1-N 2.83Å; D207-K415 WeakPolarHBondContact OD1-CE 3.49Å; D207-K415 IonicContact OD1-NZ 3.8Å; D207-K415 PolarHBondContact OD1-NZ 3.28Å; D207-K415 WeakPolarHBondContact OD2-CE 3.05Å; D207-K415 IonicContact OD2-NZ 2.98Å; D207-K415 PolarHBondContact OD2-NZ 3.27Å; D207-Y419 WeakPolarHBondContact CB-OH 3.1Å; D207-Y419 PolarHBondContact OD2-OH 3.44Å
208E92.1Very high86Confident75 Ų7561.3 Ų61.335%0.3531%0.307SS..EExtended strand (participates in β ladder)trans-124139.1179-63.4169.5-167.400110.2T204 I402 K403T204-E208 WeakPolarHBondContact CB-OE1 3.43Å; T204-E208 WeakPolarHBondContact CG2-OE1 3.35Å; T204-E208 PolarHBondContact OG1-OE1 2.8Å; E208-I402 WeakPolarHBondContact O-CA 3.49Å; E208-K403 HydrophobicContact CB-CB 4.23Å; E208-K403 HydrophobicContact CB-CD 4.46Å; E208-K403 PolarHBondContact N-O 2.96Å; E208-K403 PolarHBondContact O-N 3.39Å; E208-K403 IonicContact OE2-NZ 2.93Å
209L91.1Very high86.5Confident40 Ų4064.2 Ų64.221%0.20932%0.315CS..EExtended strand (participates in β ladder)trans-109.6113.3172.8177.661000109.3L183 T186 A187 F211 A400 I402L183-L209 HydrophobicContact CD2-CB 3.99Å; L183-L209 HydrophobicContact CD2-CD2 4.41Å; T186-L209 HydrophobicContact CG2-CD2 3.77Å; A187-L209 HydrophobicContact CB-CD1 3.74Å; A187-L209 HydrophobicContact CB-CD2 4.13Å; L209-F211 HydrophobicContact CD1-CE2 4.33Å; L209-F211 HydrophobicContact CD1-CZ 3.97Å; L209-F211 HydrophobicContact CD2-CE2 3.75Å; L209-F211 HydrophobicContact CD2-CZ 3.5Å; L209-F211 HydrophobicContact CG-CE2 3.58Å; L209-F211 HydrophobicContact CG-CZ 3.6Å; L209-A400 HydrophobicContact CD1-CB 4.16Å; L209-I402 HydrophobicContact CD1-CG1 3.87Å
210E87.2Confident86.9Confident52 Ų5264.1 Ų64.124%0.24332%0.317CS..EExtended strand (participates in β ladder)trans-110.1134.6178.2-161.9-175.2157.700110.5I212 R357 V401 K403E210-I212 HydrophobicContact CB-CD1 4.41Å; E210-I212 HydrophobicContact CG-CD1 4.1Å; E210-I212 HydrophobicContact CG-CG1 4.05Å; E210-I212 WeakPolarHBondContact OE1-CG1 3.48Å; E210-R357 IonicContact OE1-CZ 3.68Å; E210-R357 IonicContact OE1-NE 2.72Å; E210-R357 IonicContact OE1-NH2 2.61Å; E210-R357 PolarHBondContact OE1-NH2 3.46Å; E210-R357 IonicContact OE2-NH2 3.8Å; E210-R357 PolarHBondContact OE2-NH2 3.1Å; E210-V401 HydrophobicContact CB-CB 4.49Å; E210-V401 PolarHBondContact N-O 2.6Å; E210-V401 PolarHBondContact O-N 3.04Å; E210-K403 WeakPolarHBondContact OE2-CE 3.46Å; E210-K403 IonicContact OE2-NZ 3.42Å; E210-K403 PolarHBondContact OE2-NZ 2.91Å
211F84.6Confident87.6Confident79 Ų7964.7 Ų64.735%0.34632%0.319SS..EExtended strand (participates in β ladder)trans-101.7120.8173.1-64.8-83.5000108.6K190 V191 L209 A400K190-F211 HydrophobicContact CB-CD1 4.06Å; K190-F211 HydrophobicContact CB-CE1 3.34Å; K190-F211 HydrophobicContact CB-CZ 3.69Å; K190-F211 HydrophobicContact CD-CD1 4.23Å; K190-F211 HydrophobicContact CD-CD2 3.99Å; K190-F211 HydrophobicContact CD-CE1 3.56Å; K190-F211 HydrophobicContact CD-CE2 3.28Å; K190-F211 HydrophobicContact CD-CG 4.42Å; K190-F211 HydrophobicContact CD-CZ 3.04Å; K190-F211 HydrophobicContact CG-CE1 4.11Å; K190-F211 HydrophobicContact CG-CZ 3.99Å; K190-F211 VanDerWaalsContact NZ-CE2 3.28Å; V191-F211 HydrophobicContact CG1-CD1 4.22Å; V191-F211 HydrophobicContact CG1-CE1 4.21Å; L209-F211 HydrophobicContact CD1-CE2 4.33Å; L209-F211 HydrophobicContact CD1-CZ 3.97Å; L209-F211 HydrophobicContact CD2-CE2 3.75Å; L209-F211 HydrophobicContact CD2-CZ 3.5Å; L209-F211 HydrophobicContact CG-CE2 3.58Å; L209-F211 HydrophobicContact CG-CZ 3.6Å; F211-A400 HydrophobicContact CD1-CB 4.12Å; F211-A400 HydrophobicContact CE1-CB 3.83Å
212I78.1Confident88.2Confident9 Ų963.3 Ų63.35%0.04631%0.311CS..EExtended strand (participates in β ladder)trans-123.5137.1-173.2-78159.5000108.5E210 G214 M356 R357 G398 V399 V401E210-I212 HydrophobicContact CB-CD1 4.41Å; E210-I212 HydrophobicContact CG-CD1 4.1Å; E210-I212 HydrophobicContact CG-CG1 4.05Å; E210-I212 WeakPolarHBondContact OE1-CG1 3.48Å; I212-G214 PolarHBondContact O-N 2.76Å; I212-M356 HydrophobicContact CG2-CB 4.03Å; I212-M356 HydrophobicContact CG2-CG 4.37Å; I212-R357 HydrophobicContact CB-CG 4.36Å; I212-R357 HydrophobicContact CG1-CG 4.19Å; I212-R357 HydrophobicContact CG2-CB 4.37Å; I212-R357 HydrophobicContact CG2-CG 3.37Å; I212-G398 CarbonylContact O-C 3.59Å; I212-G398 WeakPolarHBondContact O-CA 3.39Å; I212-V399 PolarHBondContact N-O 2.88Å; I212-V399 PolarHBondContact O-N 2.8Å; I212-V399 VanDerWaalsContact O-O 3.14Å; I212-V401 HydrophobicContact CB-CG2 4.44Å; I212-V401 HydrophobicContact CD1-CB 4.09Å; I212-V401 HydrophobicContact CD1-CG2 3.46Å; I212-V401 VanDerWaalsContact CD1-CG2 3.46Å; I212-V401 HydrophobicContact CG1-CG2 4.43Å
213E76.7Confident88.6Confident134 Ų13463.1 Ų63.163%0.62631%0.307SS*.  trans-66.5123.2165.7-65.6175.1-178.600108.7R357E213-R357 VanDerWaalsContact O-CA 3.28Å; E213-R357 WeakPolarHBondContact O-CA 3.5Å; E213-R357 PolarHBondContact O-N 3.46Å
214G81.6Confident89Confident15 Ų1556.6 Ų56.616%0.15529%0.286CS..EExtended strand (participates in β ladder)trans-171.5171.8-176.100000111.6I212 L355 V399I212-G214 PolarHBondContact O-N 2.76Å; G214-L355 CarbonylContact C-O 3.44Å; G214-L355 WeakPolarHBondContact CA-O 3.39Å; G214-V399 VanDerWaalsContact C-CG2 3.48Å
215M85.8Confident89.1Confident14 Ų1460.6 Ų60.67%0.06930%0.297CS..EExtended strand (participates in β ladder)trans-142.7137.7-17765.3-161.7-35.900111.4M314 A317 L355 L395M215-M314 HydrophobicContact CE-CB 4.13Å; M215-M314 HydrophobicContact CE-CG 3.46Å; M215-M314 VanDerWaalsContact CE-CG 3.46Å; M215-M314 HydrophobicContact SD-CB 3.94Å; M215-M314 HydrophobicContact SD-CG 3.62Å; M215-A317 HydrophobicContact CE-CB 4.33Å; M215-A317 HydrophobicContact SD-CB 3.86Å; M215-L355 HydrophobicContact CG-CB 3.95Å; M215-L355 HydrophobicContact CG-CD1 4.14Å; M215-L355 HydrophobicContact CG-CG 4.33Å; M215-L355 PolarHBondContact N-O 3.11Å; M215-L355 PolarHBondContact O-N 3.49Å; M215-L355 HydrophobicContact SD-CD1 4.18Å; M215-L395 HydrophobicContact CE-CD2 4.23Å
216K86Confident89.3Confident49 Ų4955 Ų5521%0.21327%0.267CS..EExtended strand (participates in β ladder)trans-111141.9175-169.8-167.4173.5-160.80110T196 D352 C353 L354 K394T196-K216 HydrophobicContact CG2-CB 3.96Å; T196-K216 HydrophobicContact CG2-CD 3.91Å; T196-K216 HydrophobicContact CG2-CG 4.35Å; T196-K216 WeakPolarHBondContact OG1-CB 3.23Å; K216-D352 WeakPolarHBondContact CE-OD1 3.45Å; K216-D352 WeakPolarHBondContact CE-OD2 3.49Å; K216-D352 IonicContact NZ-OD1 3.69Å; K216-D352 PolarHBondContact NZ-OD1 3.34Å; K216-D352 VanDerWaalsContact NZ-OD1 3.1Å; K216-D352 IonicContact NZ-OD2 2.69Å; K216-D352 PolarHBondContact NZ-OD2 3.25Å; K216-C353 WeakPolarHBondContact CA-O 3.44Å; K216-L354 HydrophobicContact CB-CD1 3.82Å; K216-L354 HydrophobicContact CG-CD1 4.29Å; K216-K394 VanDerWaalsContact O-CE 3.32Å; K216-K394 WeakPolarHBondContact O-CE 3.43Å
217F89.5Confident89.3Confident4 Ų450.3 Ų50.32%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-143.2150.9168.461.9-88.3000112.1R219 I272 V298 P301 M314 C353 L355F217-R219 HydrophobicContact CD2-CB 3.85Å; F217-R219 HydrophobicContact CD2-CG 4.29Å; F217-R219 HydrophobicContact CE2-CB 3.89Å; F217-R219 PolarHBondContact O-N 2.71Å; F217-I272 HydrophobicContact CE1-CD1 4.07Å; F217-I272 HydrophobicContact CZ-CD1 3.68Å; F217-I272 HydrophobicContact CZ-CG1 4.28Å; F217-V298 HydrophobicContact CE2-CG1 3.65Å; F217-V298 HydrophobicContact CZ-CG1 4.13Å; F217-P301 HydrophobicContact CB-CB 3.89Å; F217-P301 HydrophobicContact CB-CG 3.93Å; F217-P301 HydrophobicContact CD2-CB 3.87Å; F217-P301 HydrophobicContact CD2-CG 3.75Å; F217-P301 HydrophobicContact CE2-CG 4.4Å; F217-P301 HydrophobicContact CG-CB 4.18Å; F217-P301 HydrophobicContact CG-CG 3.9Å; F217-M314 HydrophobicContact CD1-SD 3.7Å; F217-M314 HydrophobicContact CE1-SD 3.56Å; F217-M314 VanDerWaalsContact CE1-SD 3.56Å; F217-M314 HydrophobicContact CG-SD 4.41Å; F217-M314 HydrophobicContact CZ-SD 4.15Å; F217-C353 HydrophobicContact CD1-CB 4.28Å; F217-C353 HydrophobicContact CD2-CB 4.18Å; F217-C353 HydrophobicContact CE1-CB 3.73Å; F217-C353 HydrophobicContact CE2-CB 3.63Å; F217-C353 HydrophobicContact CG-CB 4.5Å; F217-C353 HydrophobicContact CZ-CB 3.37Å; F217-C353 WeakPolarHBondContact CZ-SG 3.19Å; F217-C353 PolarHBondContact N-O 3.33Å; F217-C353 PolarHBondContact O-N 2.79Å; F217-L355 HydrophobicContact CE1-CD1 4.24Å; F217-L355 HydrophobicContact CE1-CG 4.28Å
218D87.9Confident89.2Confident103 Ų10351.5 Ų51.555%0.55125%0.253SS*.SBendtrans-88.558-167.1-38.9-48.4000111.3D351D218-D351 CarbonylContact C-O 3.5Å; D218-D351 VanDerWaalsContact CA-O 3.31Å; D218-D351 WeakPolarHBondContact CA-O 3.2Å
219R92Very high88.9Confident85 Ų8549.3 Ų49.332%0.32125%0.245SC..  trans-136.7123.6168.5-65.7-68-168-144.8-0.1109.3F217 V298 K299 P301 D351 D352 C353F217-R219 HydrophobicContact CD2-CB 3.85Å; F217-R219 HydrophobicContact CD2-CG 4.29Å; F217-R219 HydrophobicContact CE2-CB 3.89Å; F217-R219 PolarHBondContact O-N 2.71Å; R219-V298 HydrophobicContact CB-CG1 3.7Å; R219-V298 VanDerWaalsContact O-CG1 3.24Å; R219-V298 WeakPolarHBondContact O-CG1 3.35Å; R219-K299 VanDerWaalsContact CB-O 3.23Å; R219-K299 WeakPolarHBondContact CB-O 3.43Å; R219-K299 VanDerWaalsContact CG-O 3.28Å; R219-K299 WeakPolarHBondContact CG-O 3.26Å; R219-P301 HydrophobicContact CG-CB 4.35Å; R219-D351 CarbonylContact C-O 3.58Å; R219-D351 WeakPolarHBondContact CA-O 3.4Å; R219-D351 PolarHBondContact N-O 3.45Å; R219-D352 CarbonylContact O-C 3.54Å; R219-D352 VanDerWaalsContact O-C 3.29Å; R219-C353 WeakPolarHBondContact O-CB 3.48Å; R219-C353 PolarHBondContact O-N 2.93Å
220G93.2Very high87.9Confident12 Ų1254.2 Ų54.212%0.12427%0.267CS..  trans-96-169.2174.200000114.6V298 T349 K350 D351G220-V298 WeakPolarHBondContact O-CG1 3.34Å; G220-T349 CarbonylContact C-O 3.41Å; G220-T349 WeakPolarHBondContact CA-O 3.45Å; G220-K350 VanDerWaalsContact CA-O 3.28Å; G220-K350 WeakPolarHBondContact CA-O 3.5Å; G220-D351 PolarHBondContact N-O 3.18Å
221Y94.9Very high86.9Confident33 Ų3355.3 Ų55.313%0.12927%0.271CS..BIsolated β-bridgetrans-62.2140.2-18051.2-104.6000111.9S223 P224 L227 V348 T349 K350Y221-S223 VanDerWaalsContact C-N 3.27Å; Y221-S223 VanDerWaalsContact CD2-O 3.25Å; Y221-S223 WeakPolarHBondContact CD2-O 3.33Å; Y221-S223 PolarHBondContact O-N 3.3Å; Y221-P224 VanDerWaalsContact CE2-CA 3.47Å; Y221-P224 HydrophobicContact CE2-CB 3.88Å; Y221-L227 HydrophobicContact CD1-CD2 4.02Å; Y221-L227 HydrophobicContact CE1-CD2 3.41Å; Y221-L227 VanDerWaalsContact CE1-CD2 3.41Å; Y221-L227 HydrophobicContact CE1-CG 4.26Å; Y221-V348 HydrophobicContact CD1-CG1 4.32Å; Y221-T349 VanDerWaalsContact CD1-C 3.49Å; Y221-T349 WeakPolarHBondContact CD1-O 3.39Å; Y221-T349 WeakPolarHBondContact CE1-O 3.41Å; Y221-T349 PolarHBondContact N-O 2.83Å; Y221-T349 VanDerWaalsContact N-O 3.07Å; Y221-K350 HydrophobicContact CE1-CB 4.41Å
222I95.4Very high86Confident44 Ų4454 Ų5423%0.22628%0.279CS..SBendtrans-68.9-29.9176-64.7169.6000111.1V276 L281 A297 K299I222-V276 HydrophobicContact CD1-CB 3.77Å; I222-V276 HydrophobicContact CD1-CG2 4.09Å; I222-L281 HydrophobicContact CB-CD1 4.41Å; I222-L281 HydrophobicContact CG2-CD1 3.95Å; I222-L281 HydrophobicContact CG2-CD2 3.77Å; I222-A297 HydrophobicContact CD1-CB 4.11Å; I222-A297 PolarHBondContact N-O 3.01Å; I222-K299 HydrophobicContact CD1-CG 3.95Å; I222-K299 HydrophobicContact CG1-CG 3.89Å
223S93.8Very high86.2Confident14 Ų1456.5 Ų56.510%0.09830%0.302CS..  trans-133.6132.6-179.6-172.80000112.1Y221 Y225 F226Y221-S223 VanDerWaalsContact C-N 3.27Å; Y221-S223 VanDerWaalsContact CD2-O 3.25Å; Y221-S223 WeakPolarHBondContact CD2-O 3.33Å; Y221-S223 PolarHBondContact O-N 3.3Å; S223-Y225 PolarHBondContact O-N 3.45Å; S223-Y225 VanDerWaalsContact O-N 3.08Å; S223-Y225 WeakPolarHBondContact OG-CD2 3.18Å; S223-Y225 PolarHBondContact OG-N 2.67Å; S223-F226 VanDerWaalsContact O-CD2 3.3Å; S223-F226 WeakPolarHBondContact O-CD2 3.3Å; S223-F226 PolarHBondContact O-N 3.26Å; S223-F226 VanDerWaalsContact O-N 3.17Å
224P92.5Very high86.8Confident76 Ų7651.9 Ų51.949%0.49428%0.278SS..G310 helixtrans-65.4-10.2175.528.9-35.8000112.9Y221 F226 L227Y221-P224 VanDerWaalsContact CE2-CA 3.47Å; Y221-P224 HydrophobicContact CE2-CB 3.88Å; P224-F226 PolarHBondContact O-N 3.44Å; P224-L227 HydrophobicContact CB-CD1 4.35Å; P224-L227 WeakPolarHBondContact O-CB 3.29Å; P224-L227 WeakPolarHBondContact O-CD1 3.3Å; P224-L227 WeakPolarHBondContact O-CG 3.14Å; P224-L227 PolarHBondContact O-N 3.22Å
225Y93.4Very high87.3Confident138 Ų13851.2 Ų51.254%0.54127%0.271SS..G310 helixtrans-73.1-8.2174.5-64.5-61.9000113.8S223 L227 V285 R288 L289S223-Y225 PolarHBondContact O-N 3.45Å; S223-Y225 VanDerWaalsContact O-N 3.08Å; S223-Y225 WeakPolarHBondContact OG-CD2 3.18Å; S223-Y225 PolarHBondContact OG-N 2.67Å; Y225-L227 VanDerWaalsContact C-N 3.34Å; Y225-V285 HydrophobicContact CD2-CG1 3.73Å; Y225-V285 HydrophobicContact CG-CG1 3.94Å; Y225-R288 WeakPolarHBondContact O-CG 3.45Å; Y225-L289 HydrophobicContact CD1-CD1 4.1Å; Y225-L289 HydrophobicContact CD1-CD2 4.13Å; Y225-L289 HydrophobicContact CG-CD1 4.24Å
226F94.9Very high87.7Confident0 Ų053.1 Ų53.10%028%0.28CS..G310 helixtrans-79.2-17.7172.9-64.4-49.6000113.7S223 P224 N228 L281 L284 V285 R288 V295 C296 A297S223-F226 VanDerWaalsContact O-CD2 3.3Å; S223-F226 WeakPolarHBondContact O-CD2 3.3Å; S223-F226 PolarHBondContact O-N 3.26Å; S223-F226 VanDerWaalsContact O-N 3.17Å; P224-F226 PolarHBondContact O-N 3.44Å; F226-N228 PolarHBondContact O-N 3.49Å; F226-L281 HydrophobicContact CE2-CD1 4.09Å; F226-L281 HydrophobicContact CZ-CD1 4.01Å; F226-L284 HydrophobicContact CE1-CB 4.12Å; F226-L284 HydrophobicContact CZ-CB 4.11Å; F226-V285 HydrophobicContact CE1-CG2 4.3Å; F226-V285 HydrophobicContact CZ-CG2 4.13Å; F226-R288 HydrophobicContact CD1-CG 4.29Å; F226-V295 WeakPolarHBondContact CD1-O 3.5Å; F226-V295 HydrophobicContact CE1-CG1 4.19Å; F226-C296 HydrophobicContact CB-CB 4.24Å; F226-C296 HydrophobicContact CG-CB 4.4Å; F226-A297 HydrophobicContact CE2-CB 3.91Å; F226-A297 HydrophobicContact CZ-CB 4.13Å
227L92.2Very high88.1Confident48 Ų4851 Ų5125%0.25127%0.271SS..  trans-48.7129.8178.3-65.5178.8000111.1Y221 P224 Y225 A233 R234 R288Y221-L227 HydrophobicContact CD1-CD2 4.02Å; Y221-L227 HydrophobicContact CE1-CD2 3.41Å; Y221-L227 VanDerWaalsContact CE1-CD2 3.41Å; Y221-L227 HydrophobicContact CE1-CG 4.26Å; P224-L227 HydrophobicContact CB-CD1 4.35Å; P224-L227 WeakPolarHBondContact O-CB 3.29Å; P224-L227 WeakPolarHBondContact O-CD1 3.3Å; P224-L227 WeakPolarHBondContact O-CG 3.14Å; P224-L227 PolarHBondContact O-N 3.22Å; Y225-L227 VanDerWaalsContact C-N 3.34Å; L227-A233 HydrophobicContact CD1-CB 4.12Å; L227-A233 HydrophobicContact CD2-CB 4.4Å; L227-A233 WeakPolarHBondContact CD2-O 3.41Å; L227-R234 VanDerWaalsContact CD2-C 3.41Å; L227-R234 WeakPolarHBondContact CD2-O 3.34Å; L227-R288 PolarHBondContact O-NH2 3.06Å
228N90.5Very high88.3Confident58 Ų5858 Ų5831%0.3130%0.304SS..  trans-129-4.8179.673.3-10.9000112.9F226 R234 C235 E236 F237F226-N228 PolarHBondContact O-N 3.49Å; N228-R234 PolarHBondContact N-O 2.85Å; N228-C235 VanDerWaalsContact OD1-CA 3.27Å; N228-C235 WeakPolarHBondContact OD1-CA 3.48Å; N228-E236 PolarHBondContact ND2-O 3.46Å; N228-E236 PolarHBondContact OD1-N 3.05Å; N228-F237 WeakPolarHBondContact ND2-CE1 3.48Å
229T84.7Confident88.6Confident29 Ų2957 Ų5718%0.17830%0.298CS..  trans-99.2137.6171.864.40000110.6G232 R234 E236T229-G232 PolarHBondContact OG1-O 3.31Å; T229-R234 HydrophobicContact CG2-CG 4Å; T229-R234 PolarHBondContact N-O 3.41Å; T229-R234 WeakPolarHBondContact OG1-CG 3.42Å; T229-R234 PolarHBondContact OG1-O 3.03Å; T229-E236 HydrophobicContact CG2-CB 3.82Å; T229-E236 HydrophobicContact CG2-CG 3.56Å; T229-E236 WeakPolarHBondContact CG2-OE2 3.44Å
230E71.5Confident88.8Confident143 Ų14353 Ų5367%0.66828%0.283SS*.SBendtrans-80.7-22.4173-60.3-179.5178.700112.8K67K67-E230 WeakPolarHBondContact CE-OE2 3.43Å; K67-E230 IonicContact NZ-OE2 2.83Å; K67-E230 PolarHBondContact NZ-OE2 2.99Å
231K66Low89Confident75 Ų7552.4 Ų52.433%0.32628%0.277SS..SBendtrans-105.6104.1179.8-64.5-175.9-173.6173.50109R234 E409K231-R234 PolarHBondContact O-NE 3.3Å; K231-R234 VanDerWaalsContact O-NE 3.14Å; K231-E409 IonicContact NZ-OE2 3.92Å; K231-E409 PolarHBondContact NZ-OE2 2.81Å
232G65.5Low89.1Confident50 Ų5050.9 Ų50.952%0.51527%0.271SS..SBendtrans86.3140.8-173.800000112T229 R234T229-G232 PolarHBondContact OG1-O 3.31Å; G232-R234 PolarHBondContact O-N 3.36Å
233A82.4Confident89.1Confident63 Ų6348.8 Ų48.852%0.52126%0.26SS..SBendtrans-74.968.8175.800000110.4L227L227-A233 HydrophobicContact CD1-CB 4.12Å; L227-A233 HydrophobicContact CD2-CB 4.4Å; L227-A233 WeakPolarHBondContact CD2-O 3.41Å
234R88.5Confident89.3Confident37 Ų3748.1 Ų48.114%0.1426%0.256CS..  trans-131.6160.9179.160.6-168174.8142.322.6114L227 N228 T229 K231 G232 E236 V347 V348 T349L227-R234 VanDerWaalsContact CD2-C 3.41Å; L227-R234 WeakPolarHBondContact CD2-O 3.34Å; N228-R234 PolarHBondContact N-O 2.85Å; T229-R234 HydrophobicContact CG2-CG 4Å; T229-R234 PolarHBondContact N-O 3.41Å; T229-R234 WeakPolarHBondContact OG1-CG 3.42Å; T229-R234 PolarHBondContact OG1-O 3.03Å; K231-R234 PolarHBondContact O-NE 3.3Å; K231-R234 VanDerWaalsContact O-NE 3.14Å; G232-R234 PolarHBondContact O-N 3.36Å; R234-E236 HydrophobicContact CG-CG 4.29Å; R234-E236 IonicContact CZ-OE1 3.4Å; R234-E236 IonicContact CZ-OE2 2.77Å; R234-E236 IonicContact NE-OE1 3.79Å; R234-E236 PolarHBondContact NE-OE1 2.89Å; R234-E236 IonicContact NH1-OE1 3.76Å; R234-E236 PolarHBondContact NH1-OE1 2.99Å; R234-E236 IonicContact NH2-OE1 2.65Å; R234-E236 PolarHBondContact NH2-OE1 3.22Å; R234-E236 IonicContact NH2-OE2 3.62Å; R234-E236 PolarHBondContact NH2-OE2 3.44Å; R234-V347 HydrophobicContact CB-CG1 4.42Å; R234-V348 CarbonylContact C-O 3.55Å; R234-V348 WeakPolarHBondContact CA-O 3.43Å; R234-V348 WeakPolarHBondContact CB-O 3.3Å; R234-T349 HydrophobicContact CB-CG2 4.25Å
235C93.4Very high89.4Confident0 Ų044.9 Ų44.90%024%0.235CC..EExtended strand (participates in β ladder)trans-112.7119.2170.2-179.70000108.2N228 F237 V347 V348N228-C235 VanDerWaalsContact OD1-CA 3.27Å; N228-C235 WeakPolarHBondContact OD1-CA 3.48Å; C235-F237 WeakPolarHBondContact SG-CZ 3.44Å; C235-V347 CarbonylContact O-C 3.6Å; C235-V347 WeakPolarHBondContact O-CA 3.25Å; C235-V348 HydrophobicContact CB-CB 4.22Å; C235-V348 PolarHBondContact N-O 2.88Å; C235-V348 PolarHBondContact O-N 2.98Å
236E93.3Very high89.4Confident55 Ų5539.5 Ų39.526%0.25722%0.215SC..EExtended strand (participates in β ladder)trans-114.4126179.6-66.7-172.8150.700110.8N228 T229 R234 V346 V347N228-E236 PolarHBondContact ND2-O 3.46Å; N228-E236 PolarHBondContact OD1-N 3.05Å; T229-E236 HydrophobicContact CG2-CB 3.82Å; T229-E236 HydrophobicContact CG2-CG 3.56Å; T229-E236 WeakPolarHBondContact CG2-OE2 3.44Å; R234-E236 HydrophobicContact CG-CG 4.29Å; R234-E236 IonicContact CZ-OE1 3.4Å; R234-E236 IonicContact CZ-OE2 2.77Å; R234-E236 IonicContact NE-OE1 3.79Å; R234-E236 PolarHBondContact NE-OE1 2.89Å; R234-E236 IonicContact NH1-OE1 3.76Å; R234-E236 PolarHBondContact NH1-OE1 2.99Å; R234-E236 IonicContact NH2-OE1 2.65Å; R234-E236 PolarHBondContact NH2-OE1 3.22Å; R234-E236 IonicContact NH2-OE2 3.62Å; R234-E236 PolarHBondContact NH2-OE2 3.44Å; E236-V346 CarbonylContact C-O 3.59Å; E236-V346 VanDerWaalsContact CA-O 3.31Å; E236-V346 WeakPolarHBondContact CA-O 3.43Å; E236-V347 HydrophobicContact CG-CG1 4.25Å; E236-V347 HydrophobicContact CG-CG2 4.19Å
237F94.8Very high89.3Confident5 Ų544.2 Ų44.22%0.02224%0.235CC..EExtended strand (participates in β ladder)trans-123142.1174.7-66.6-37.9000111N228 C235 A240 P268 Q294 C296 E345 V346N228-F237 WeakPolarHBondContact ND2-CE1 3.48Å; C235-F237 WeakPolarHBondContact SG-CZ 3.44Å; F237-A240 HydrophobicContact CB-CB 3.93Å; F237-P268 HydrophobicContact CB-CB 3.85Å; F237-P268 HydrophobicContact CB-CG 3.64Å; F237-P268 HydrophobicContact CD1-CB 3.51Å; F237-P268 HydrophobicContact CD1-CG 4.07Å; F237-P268 HydrophobicContact CD2-CB 3.83Å; F237-P268 HydrophobicContact CE1-CB 3.94Å; F237-P268 HydrophobicContact CE2-CB 4.2Å; F237-P268 HydrophobicContact CG-CB 3.47Å; F237-P268 VanDerWaalsContact CG-CB 3.47Å; F237-P268 HydrophobicContact CG-CG 3.87Å; F237-P268 HydrophobicContact CZ-CB 4.27Å; F237-Q294 HydrophobicContact CD1-CB 4.44Å; F237-Q294 HydrophobicContact CE1-CB 3.81Å; F237-Q294 HydrophobicContact CZ-CB 4.3Å; F237-C296 HydrophobicContact CE2-CB 3.63Å; F237-C296 HydrophobicContact CZ-CB 4.09Å; F237-E345 CarbonylContact O-C 3.58Å; F237-E345 VanDerWaalsContact O-CA 3.29Å; F237-E345 WeakPolarHBondContact O-CA 3.17Å; F237-V346 HydrophobicContact CB-CB 4.28Å; F237-V346 PolarHBondContact N-O 2.83Å; F237-V346 PolarHBondContact O-N 2.84Å
238Q93.3Very high89.4Confident151 Ų15146.7 Ų46.771%0.70624%0.244SC*.EExtended strand (participates in β ladder)trans-107140.7170.4-66.9-178.1-1.800109.2A240 P268 A344Q238-A240 VanDerWaalsContact C-N 3.34Å; Q238-A240 PolarHBondContact O-N 3.24Å; Q238-P268 VanDerWaalsContact O-CG 3.27Å; Q238-P268 WeakPolarHBondContact O-CG 3.24Å; Q238-A344 CarbonylContact C-O 2.92Å; Q238-A344 WeakPolarHBondContact CA-O 3.48Å
239D93.7Very high89.6Confident81 Ų8144.1 Ų44.143%0.43323%0.23SC..EExtended strand (participates in β ladder)trans44.456.9-177.4-67.7-51.5000111.8R267 V343 A344D239-R267 PolarHBondContact O-NE 3.03Å; D239-R267 PolarHBondContact O-NH2 3.33Å; D239-V343 CarbonylContact C-O 3.58Å; D239-V343 VanDerWaalsContact CA-O 3.31Å; D239-V343 WeakPolarHBondContact CA-O 3.41Å; D239-A344 PolarHBondContact N-O 2.76Å
240A96.2Very high90.1Very high0 Ų046.4 Ų46.40%024%0.241CC..EExtended strand (participates in β ladder)trans-83.6153.3-178.700000112.8F237 Q238 R267 P268 V343 V346F237-A240 HydrophobicContact CB-CB 3.93Å; Q238-A240 VanDerWaalsContact C-N 3.34Å; Q238-A240 PolarHBondContact O-N 3.24Å; A240-R267 PolarHBondContact O-NH2 3.06Å; A240-P268 WeakPolarHBondContact CA-O 3.48Å; A240-P268 HydrophobicContact CB-CB 4.36Å; A240-P268 HydrophobicContact CB-CG 3.87Å; A240-V343 HydrophobicContact CB-CG2 3.83Å; A240-V343 PolarHBondContact N-O 3.17Å; A240-V343 PolarHBondContact O-N 3.34Å; A240-V343 VanDerWaalsContact O-N 3.11Å; A240-V346 HydrophobicContact CB-CG2 3.97Å
241F97.4Very high91.1Very high1 Ų141.3 Ų41.30%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-87.3151159.1-70.3-67.8000110.1C262 Q265 R267 P268 L269 L270 L337 L340 G341 R342F241-C262 HydrophobicContact CD2-CB 4.42Å; F241-Q265 HydrophobicContact CE2-CB 3.94Å; F241-Q265 HydrophobicContact CE2-CG 4.19Å; F241-Q265 HydrophobicContact CZ-CG 4.44Å; F241-R267 HydrophobicContact CD2-CB 3.8Å; F241-R267 HydrophobicContact CE2-CB 3.71Å; F241-R267 HydrophobicContact CE2-CG 4.22Å; F241-P268 PolarHBondContact N-O 3.37Å; F241-L269 HydrophobicContact CB-CD1 4.05Å; F241-L270 PolarHBondContact O-N 3.4Å; F241-L337 HydrophobicContact CE1-CD1 3.89Å; F241-L337 HydrophobicContact CE1-CG 4.28Å; F241-L337 HydrophobicContact CE2-CD1 3.86Å; F241-L337 HydrophobicContact CZ-CD1 3.49Å; F241-L337 VanDerWaalsContact CZ-CD1 3.49Å; F241-L337 HydrophobicContact CZ-CD2 4.47Å; F241-L337 HydrophobicContact CZ-CG 4.08Å; F241-L340 HydrophobicContact CB-CB 4.25Å; F241-L340 HydrophobicContact CB-CD1 4.09Å; F241-L340 HydrophobicContact CD1-CB 3.97Å; F241-L340 HydrophobicContact CD1-CD1 4.38Å; F241-L340 HydrophobicContact CG-CB 4.42Å; F241-L340 HydrophobicContact CG-CD1 4.2Å; F241-G341 CarbonylContact C-O 3.47Å; F241-G341 VanDerWaalsContact CA-O 3.28Å; F241-G341 WeakPolarHBondContact CA-O 3.46Å; F241-R342 HydrophobicContact CD1-CG 3.9Å; F241-R342 HydrophobicContact CE1-CG 3.86Å
242V97.2Very high92.3Very high0 Ų038.8 Ų38.80%021%0.211CC..EExtended strand (participates in β ladder)trans-125.7124177.6-167.80000109.3F244 L270 I272 G341 V343V242-F244 HydrophobicContact CB-CE2 3.95Å; V242-F244 HydrophobicContact CB-CZ 3.88Å; V242-F244 HydrophobicContact CG1-CD1 4.2Å; V242-F244 HydrophobicContact CG1-CD2 4.36Å; V242-F244 HydrophobicContact CG1-CE1 3.57Å; V242-F244 HydrophobicContact CG1-CE2 3.74Å; V242-F244 HydrophobicContact CG1-CZ 3.31Å; V242-L270 CarbonylContact C-O 3.5Å; V242-L270 WeakPolarHBondContact CA-O 3.49Å; V242-L270 HydrophobicContact CG1-CB 4.45Å; V242-L270 HydrophobicContact CG1-CD2 4.18Å; V242-L270 HydrophobicContact CG2-CB 4.43Å; V242-L270 HydrophobicContact CG2-CD2 4.44Å; V242-I272 HydrophobicContact CG1-CD1 3.8Å; V242-I272 HydrophobicContact CG1-CG1 4.24Å; V242-G341 PolarHBondContact N-O 3.5Å; V242-G341 PolarHBondContact O-N 3.35Å; V242-V343 HydrophobicContact CG2-CB 4.4Å; V242-V343 HydrophobicContact CG2-CG1 3.86Å; V242-V343 HydrophobicContact CG2-CG2 3.61Å
243L97Very high93.6Very high0 Ų043.2 Ų43.20%022%0.218CC..EExtended strand (participates in β ladder)trans-102125.5173.7-180149000108.7I249 L255 A258 L269 L270 I271 I272 L332 L340L243-I249 HydrophobicContact CD2-CD1 4.19Å; L243-L255 HydrophobicContact CD1-CD2 4.21Å; L243-A258 HydrophobicContact CD1-CB 3.53Å; L243-L269 HydrophobicContact CB-CD1 4.04Å; L243-L270 PolarHBondContact N-O 3.16Å; L243-I271 HydrophobicContact CD2-CG2 3.99Å; L243-I272 PolarHBondContact O-N 3.02Å; L243-L332 HydrophobicContact CD1-CD1 3.96Å; L243-L332 HydrophobicContact CD2-CD1 4.04Å; L243-L332 HydrophobicContact CG-CD1 4.17Å; L243-L340 HydrophobicContact CB-CD2 3.88Å; L243-L340 HydrophobicContact CD1-CD2 4.15Å; L243-L340 HydrophobicContact CG-CD2 4.26Å
244F96.1Very high93.9Very high1 Ų141.6 Ų41.60%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-109121.2177.6-58.3-78.8000110V242 I272 L311 M314 A315 T318 V322 F323V242-F244 HydrophobicContact CB-CE2 3.95Å; V242-F244 HydrophobicContact CB-CZ 3.88Å; V242-F244 HydrophobicContact CG1-CD1 4.2Å; V242-F244 HydrophobicContact CG1-CD2 4.36Å; V242-F244 HydrophobicContact CG1-CE1 3.57Å; V242-F244 HydrophobicContact CG1-CE2 3.74Å; V242-F244 HydrophobicContact CG1-CZ 3.31Å; F244-I272 CarbonylContact C-O 3.42Å; F244-I272 WeakPolarHBondContact CA-O 3.44Å; F244-I272 HydrophobicContact CD1-CB 4.14Å; F244-I272 HydrophobicContact CD1-CD1 4.24Å; F244-I272 HydrophobicContact CE1-CD1 3.76Å; F244-L311 HydrophobicContact CB-CD2 4.43Å; F244-L311 HydrophobicContact CD1-CD2 4.09Å; F244-M314 HydrophobicContact CD1-CB 4.28Å; F244-M314 HydrophobicContact CE1-CB 3.46Å; F244-M314 VanDerWaalsContact CE1-CB 3.46Å; F244-M314 HydrophobicContact CE1-CE 4.41Å; F244-M314 HydrophobicContact CE1-SD 4.47Å; F244-M314 HydrophobicContact CZ-CB 3.89Å; F244-A315 HydrophobicContact CD2-CB 3.97Å; F244-A315 HydrophobicContact CE2-CB 4.19Å; F244-A315 HydrophobicContact CG-CB 4.38Å; F244-T318 WeakPolarHBondContact CE2-OG1 3.3Å; F244-T318 HydrophobicContact CZ-CG2 4.21Å; F244-T318 VanDerWaalsContact CZ-OG1 3.29Å; F244-T318 WeakPolarHBondContact CZ-OG1 3.24Å; F244-V322 HydrophobicContact CB-CB 4.49Å; F244-V322 HydrophobicContact CB-CG1 4.5Å; F244-V322 HydrophobicContact CB-CG2 4.17Å; F244-F323 WeakPolarHBondContact O-CD2 3.42Å; F244-F323 PolarHBondContact O-N 3.32Å
245S94.7Very high94.1Very high7 Ų739.9 Ų39.95%0.04920%0.196CC..EExtended strand (participates in β ladder)trans-124.4128.2174.7-169.40000110.6K247 I272 A273 E274S245-K247 VanDerWaalsContact C-N 3.3Å; S245-K247 PolarHBondContact OG-O 3.49Å; S245-I272 PolarHBondContact N-O 3.27Å; S245-A273 VanDerWaalsContact O-CA 3.28Å; S245-A273 WeakPolarHBondContact O-CA 3.26Å; S245-E274 PolarHBondContact O-N 3.04Å
246E94.2Very high94.1Very high26 Ų2643.5 Ų43.512%0.12122%0.215CC..SBendtrans-74.7-26.6174.4-169176.3146.800112E274 K308 L311 V322 F323E246-E274 WeakPolarHBondContact O-CB 3.4Å; E246-K308 HydrophobicContact CG-CG 4.22Å; E246-K308 WeakPolarHBondContact OE1-CD 3.38Å; E246-K308 WeakPolarHBondContact OE1-CE 3.4Å; E246-K308 VanDerWaalsContact OE1-CG 3.27Å; E246-K308 WeakPolarHBondContact OE1-CG 3.3Å; E246-L311 HydrophobicContact CB-CD1 4.45Å; E246-V322 HydrophobicContact CB-CG1 4.09Å; E246-F323 PolarHBondContact N-O 3.4Å
247K92.9Very high94.1Very high99 Ų9942.6 Ų42.643%0.4321%0.213SC..SBendtrans-94165.4-178.1-67174.1-177.9166.10111.8S245 E274 G324 D328S245-K247 VanDerWaalsContact C-N 3.3Å; S245-K247 PolarHBondContact OG-O 3.49Å; K247-E274 PolarHBondContact O-N 2.91Å; K247-G324 VanDerWaalsContact CE-O 3.27Å; K247-G324 WeakPolarHBondContact CE-O 3.26Å; K247-D328 IonicContact NZ-OD1 2.77Å; K247-D328 PolarHBondContact NZ-OD1 3.5Å
248K94.2Very high94Very high99 Ų9942.3 Ų42.343%0.4321%0.212SC..  trans-71145169-65.7-172.9174.3-165.10111.6E274 D275 E277K248-E274 HydrophobicContact CG-CB 4.14Å; K248-E274 HydrophobicContact CG-CG 3.67Å; K248-D275 WeakPolarHBondContact CA-O 3.28Å; K248-D275 HydrophobicContact CD-CB 4.26Å; K248-D275 HydrophobicContact CG-CB 4.01Å; K248-E277 IonicContact NZ-OE1 2.76Å
249I94.7Very high94Very high4 Ų436 Ų362%0.02118%0.183CC..BIsolated β-bridgetrans-113.1107.7177-54.7179.1000109.4L243 L255 I271 A273 D275 V276 E277 A280 L332L243-I249 HydrophobicContact CD2-CD1 4.19Å; I249-L255 HydrophobicContact CD1-CD2 3.98Å; I249-L255 HydrophobicContact CG2-CD1 3.67Å; I249-L255 HydrophobicContact CG2-CD2 4.34Å; I249-L255 HydrophobicContact CG2-CG 3.72Å; I249-I271 HydrophobicContact CD1-CG2 4.09Å; I249-A273 HydrophobicContact CD1-CB 3.79Å; I249-A273 HydrophobicContact CG1-CB 4.02Å; I249-D275 PolarHBondContact N-O 3.05Å; I249-V276 HydrophobicContact CB-CG2 4.42Å; I249-E277 PolarHBondContact O-N 3.38Å; I249-E277 VanDerWaalsContact O-N 3.12Å; I249-A280 HydrophobicContact CG2-CB 4.04Å; I249-L332 HydrophobicContact CD1-CD2 4.1Å
250N94.3Very high93.9Very high78 Ų7837.5 Ų37.542%0.41719%0.188SC..  trans-110.1-28.8-175.5-64.64.6000112.9E277 E279 A280N250-E277 PolarHBondContact ND2-OE1 2.85Å; N250-E277 WeakPolarHBondContact OD1-CG 3.46Å; N250-E277 PolarHBondContact OD1-OE1 3.48Å; N250-E279 PolarHBondContact O-N 2.94Å; N250-A280 PolarHBondContact O-N 3.49Å; N250-A280 VanDerWaalsContact O-N 3.14Å
251S92.8Very high93.7Very high36 Ų3639.2 Ų39.225%0.25220%0.197SC..  trans-104.1138.8-178.1177.10000110.5Q253 T254S251-Q253 PolarHBondContact O-N 3.36Å; S251-Q253 PolarHBondContact OG-N 2.96Å; S251-T254 PolarHBondContact O-OG1 3.43Å; S251-T254 VanDerWaalsContact O-OG1 3.09Å
252I92.2Very high93.5Very high21 Ų2139.4 Ų39.411%0.10820%0.198CC..SBendtrans-69-26.8173.5-171.658.5000111.8T254 L255 L256 L259 E279 A283I252-T254 PolarHBondContact O-N 3.24Å; I252-L255 HydrophobicContact CD1-CB 4.27Å; I252-L255 PolarHBondContact O-N 3.03Å; I252-L256 HydrophobicContact CG1-CD2 4.1Å; I252-L256 HydrophobicContact CG1-CG 4.41Å; I252-L256 WeakPolarHBondContact O-CG 3.17Å; I252-L256 PolarHBondContact O-N 3.47Å; I252-L259 HydrophobicContact CD1-CD1 3.85Å; I252-E279 HydrophobicContact CG2-CG 4.47Å; I252-A283 HydrophobicContact CB-CB 4.18Å; I252-A283 HydrophobicContact CD1-CB 3.84Å; I252-A283 HydrophobicContact CG1-CB 3.88Å
253Q91.7Very high93.1Very high143 Ų14345.7 Ų45.767%0.66823%0.227SC*.THydrogen-bonded Turntrans-58.5-36.5-175.8-66.5-179.8-10.300112.3S251 L255S251-Q253 PolarHBondContact O-N 3.36Å; S251-Q253 PolarHBondContact OG-N 2.96Å; Q253-L255 VanDerWaalsContact C-N 3.28Å; Q253-L255 PolarHBondContact O-N 2.88Å
254T90.4Very high92.9Very high30 Ų3052.2 Ų52.218%0.18426%0.257CS..THydrogen-bonded Turntrans-71.5-25179.265.80000112.1S251 I252 L332 E333S251-T254 PolarHBondContact O-OG1 3.43Å; S251-T254 VanDerWaalsContact O-OG1 3.09Å; I252-T254 PolarHBondContact O-N 3.24Å; T254-L332 WeakPolarHBondContact O-CD2 3.41Å; T254-L332 WeakPolarHBondContact O-CG 3.47Å; T254-E333 VanDerWaalsContact CG2-OE1 3.23Å; T254-E333 WeakPolarHBondContact CG2-OE1 3.43Å
255L92.6Very high92.7Very high0 Ų056.8 Ų56.80%028%0.279CS..THydrogen-bonded Turntrans-91.8-19.8179.2-76.8175.4000113.7L243 I249 I252 Q253 A258 L259 I271 A280 L284 L332L243-L255 HydrophobicContact CD1-CD2 4.21Å; I249-L255 HydrophobicContact CD1-CD2 3.98Å; I249-L255 HydrophobicContact CG2-CD1 3.67Å; I249-L255 HydrophobicContact CG2-CD2 4.34Å; I249-L255 HydrophobicContact CG2-CG 3.72Å; I252-L255 HydrophobicContact CD1-CB 4.27Å; I252-L255 PolarHBondContact O-N 3.03Å; Q253-L255 VanDerWaalsContact C-N 3.28Å; Q253-L255 PolarHBondContact O-N 2.88Å; L255-A258 PolarHBondContact O-N 3.49Å; L255-L259 HydrophobicContact CB-CD1 4.06Å; L255-L259 HydrophobicContact CB-CG 4.39Å; L255-L259 VanDerWaalsContact O-CG 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.29Å; L255-L259 PolarHBondContact O-N 3.46Å; L255-I271 HydrophobicContact CD1-CD1 4.08Å; L255-I271 HydrophobicContact CD2-CD1 3.94Å; L255-A280 HydrophobicContact CD1-CB 4.3Å; L255-L284 HydrophobicContact CD1-CD1 4.13Å; L255-L284 HydrophobicContact CD1-CG 4.5Å; L255-L332 HydrophobicContact CD2-CD2 4.07Å
256L92.5Very high92.5Very high76 Ų7665.4 Ų65.440%0.39832%0.315SS..Hα-helixtrans-52.1-47.9-175.8-73.3176.7000112.7I252 A258 L259 E260I252-L256 HydrophobicContact CG1-CD2 4.1Å; I252-L256 HydrophobicContact CG1-CG 4.41Å; I252-L256 WeakPolarHBondContact O-CG 3.17Å; I252-L256 PolarHBondContact O-N 3.47Å; L256-A258 PolarHBondContact O-N 3.22Å; L256-L259 PolarHBondContact O-N 3.45Å; L256-E260 WeakPolarHBondContact O-CB 2.85Å; L256-E260 WeakPolarHBondContact O-CG 3.32Å; L256-E260 PolarHBondContact O-N 3.4Å
257P93.2Very high92.5Very high36 Ų3667.2 Ų67.223%0.23432%0.321CS..Hα-helixtrans-61.9-42.1-179.2-23.435.8000112.8E260 L261 E333 V335P257-E260 PolarHBondContact O-N 3.3Å; P257-L261 VanDerWaalsContact O-CG 3.3Å; P257-L261 WeakPolarHBondContact O-CG 3.44Å; P257-L261 PolarHBondContact O-N 3.41Å; P257-E333 WeakPolarHBondContact CG-O 3.43Å; P257-V335 HydrophobicContact CB-CG1 3.75Å
258A93.3Very high92.6Very high0 Ų062.7 Ų62.70%030%0.302CS..Hα-helixtrans-63.7-43.5176.400000112L243 L255 L256 L261 C262 L269 V335L243-A258 HydrophobicContact CD1-CB 3.53Å; L255-A258 PolarHBondContact O-N 3.49Å; L256-A258 PolarHBondContact O-N 3.22Å; A258-L261 PolarHBondContact O-N 2.91Å; A258-C262 PolarHBondContact O-N 2.61Å; A258-C262 PolarHBondContact O-SG 2.97Å; A258-L269 HydrophobicContact CB-CD2 4.49Å; A258-V335 HydrophobicContact CB-CG1 4.02Å
259L92.7Very high92.8Very high18 Ų1858.1 Ų58.19%0.09428%0.282CS..Hα-helixtrans-64.6-41.3179-68.7172000111.6I252 L255 L256 H263 L269 L284 L293 V295I252-L259 HydrophobicContact CD1-CD1 3.85Å; L255-L259 HydrophobicContact CB-CD1 4.06Å; L255-L259 HydrophobicContact CB-CG 4.39Å; L255-L259 VanDerWaalsContact O-CG 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.29Å; L255-L259 PolarHBondContact O-N 3.46Å; L256-L259 PolarHBondContact O-N 3.45Å; L259-H263 WeakPolarHBondContact O-CB 3.33Å; L259-H263 PolarHBondContact O-N 2.83Å; L259-L269 HydrophobicContact CD2-CD2 3.81Å; L259-L284 HydrophobicContact CD1-CD2 4.04Å; L259-L284 HydrophobicContact CD2-CD2 4.02Å; L259-L293 HydrophobicContact CD2-CD2 4.24Å; L259-V295 HydrophobicContact CD2-CG2 4.37Å
260E91.8Very high92.9Very high113 Ų11357.9 Ų57.953%0.52828%0.281SS..Hα-helixtrans-64-45.7176.5-74.2176.7-174.400111.7L256 P257 C262 H263 Q264L256-E260 WeakPolarHBondContact O-CB 2.85Å; L256-E260 WeakPolarHBondContact O-CG 3.32Å; L256-E260 PolarHBondContact O-N 3.4Å; P257-E260 PolarHBondContact O-N 3.3Å; E260-C262 PolarHBondContact O-N 2.99Å; E260-H263 PolarHBondContact O-N 3.04Å; E260-Q264 WeakPolarHBondContact O-CB 3.34Å; E260-Q264 VanDerWaalsContact O-CG 3.27Å; E260-Q264 WeakPolarHBondContact O-CG 3.33Å; E260-Q264 PolarHBondContact O-N 3.07Å
261L92.7Very high93Very high36 Ų3654.2 Ų54.219%0.18826%0.261CS..Hα-helixtrans-59.4-46.9176.6-73.7173.8000112P257 A258 Q264 Q265 V335 L337P257-L261 VanDerWaalsContact O-CG 3.3Å; P257-L261 WeakPolarHBondContact O-CG 3.44Å; P257-L261 PolarHBondContact O-N 3.41Å; A258-L261 PolarHBondContact O-N 2.91Å; L261-Q264 PolarHBondContact O-N 3.46Å; L261-Q265 WeakPolarHBondContact O-CG 3.16Å; L261-Q265 PolarHBondContact O-N 3.08Å; L261-V335 HydrophobicContact CD1-CG1 4.37Å; L261-V335 WeakPolarHBondContact CD1-O 3.47Å; L261-L337 HydrophobicContact CB-CD1 4.41Å
262C91.4Very high93.2Very high4 Ų452.5 Ų52.53%0.02725%0.249CC..Hα-helixtrans-66.7-38.3178.1-65.30000112.1F241 A258 E260 Q265 K266 R267 L269F241-C262 HydrophobicContact CD2-CB 4.42Å; A258-C262 PolarHBondContact O-N 2.61Å; A258-C262 PolarHBondContact O-SG 2.97Å; E260-C262 PolarHBondContact O-N 2.99Å; C262-Q265 PolarHBondContact O-N 2.95Å; C262-K266 PolarHBondContact O-N 2.82Å; C262-K266 VanDerWaalsContact O-N 3.08Å; C262-R267 PolarHBondContact O-N 3.32Å; C262-R267 VanDerWaalsContact O-N 3.13Å; C262-L269 HydrophobicContact CB-CB 4.2Å
263H89.5Confident93.4Very high133 Ų13351.5 Ų51.562%0.61624%0.244SC*.Hα-helixtrans-64.5-43176.7-172.472.4000112L259 E260 Q265 K266L259-H263 WeakPolarHBondContact O-CB 3.33Å; L259-H263 PolarHBondContact O-N 2.83Å; E260-H263 PolarHBondContact O-N 3.04Å; H263-Q265 VanDerWaalsContact C-N 3.3Å; H263-Q265 PolarHBondContact O-N 3.01Å; H263-K266 PolarHBondContact O-N 3.32Å
264Q91.8Very high93.6Very high136 Ų13647.5 Ų47.564%0.63623%0.226SC*.Hα-helixtrans-60.2-39.5175.5-74.1174.51300112.1E260 L261 K266E260-Q264 WeakPolarHBondContact O-CB 3.34Å; E260-Q264 VanDerWaalsContact O-CG 3.27Å; E260-Q264 WeakPolarHBondContact O-CG 3.33Å; E260-Q264 PolarHBondContact O-N 3.07Å; L261-Q264 PolarHBondContact O-N 3.46Å; Q264-K266 PolarHBondContact O-N 3.3Å
265Q92.4Very high93.8Very high98 Ų9847.1 Ų47.146%0.45822%0.223SC..THydrogen-bonded Turntrans-77.5-7.5176.4-64.9-62-3700113.6F241 L261 C262 H263 R267 L337F241-Q265 HydrophobicContact CE2-CB 3.94Å; F241-Q265 HydrophobicContact CE2-CG 4.19Å; F241-Q265 HydrophobicContact CZ-CG 4.44Å; L261-Q265 WeakPolarHBondContact O-CG 3.16Å; L261-Q265 PolarHBondContact O-N 3.08Å; C262-Q265 PolarHBondContact O-N 2.95Å; H263-Q265 VanDerWaalsContact C-N 3.3Å; H263-Q265 PolarHBondContact O-N 3.01Å; Q265-R267 HydrophobicContact CB-CB 4.45Å; Q265-R267 HydrophobicContact CB-CG 4.37Å; Q265-R267 PolarHBondContact O-N 3.01Å; Q265-L337 HydrophobicContact CG-CD1 3.9Å; Q265-L337 HydrophobicContact CG-CD2 3.94Å
266K91.4Very high93.9Very high187 Ų18747.2 Ų47.281%0.81322%0.223SC*.THydrogen-bonded Turntrans53.738.1-173.8-56.9179.8-179.8178.70112.7C262 H263 Q264C262-K266 PolarHBondContact O-N 2.82Å; C262-K266 VanDerWaalsContact O-N 3.08Å; H263-K266 PolarHBondContact O-N 3.32Å; Q264-K266 PolarHBondContact O-N 3.3Å
267R93.5Very high94Very high64 Ų6446.8 Ų46.824%0.24222%0.219CC..  trans-118.9144.9-179.1-71.4178.266.6-164.6-6110.7D239 A240 F241 C262 Q265D239-R267 PolarHBondContact O-NE 3.03Å; D239-R267 PolarHBondContact O-NH2 3.33Å; A240-R267 PolarHBondContact O-NH2 3.06Å; F241-R267 HydrophobicContact CD2-CB 3.8Å; F241-R267 HydrophobicContact CE2-CB 3.71Å; F241-R267 HydrophobicContact CE2-CG 4.22Å; C262-R267 PolarHBondContact O-N 3.32Å; C262-R267 VanDerWaalsContact O-N 3.13Å; Q265-R267 HydrophobicContact CB-CB 4.45Å; Q265-R267 HydrophobicContact CB-CG 4.37Å; Q265-R267 PolarHBondContact O-N 3.01Å
268P96.2Very high94Very high5 Ų547.4 Ų47.43%0.03223%0.231CC..  trans-67.8154.2179.124-29.5000112.1F237 Q238 A240 F241 Q294F237-P268 HydrophobicContact CB-CB 3.85Å; F237-P268 HydrophobicContact CB-CG 3.64Å; F237-P268 HydrophobicContact CD1-CB 3.51Å; F237-P268 HydrophobicContact CD1-CG 4.07Å; F237-P268 HydrophobicContact CD2-CB 3.83Å; F237-P268 HydrophobicContact CE1-CB 3.94Å; F237-P268 HydrophobicContact CE2-CB 4.2Å; F237-P268 HydrophobicContact CG-CB 3.47Å; F237-P268 VanDerWaalsContact CG-CB 3.47Å; F237-P268 HydrophobicContact CG-CG 3.87Å; F237-P268 HydrophobicContact CZ-CB 4.27Å; Q238-P268 VanDerWaalsContact O-CG 3.27Å; Q238-P268 WeakPolarHBondContact O-CG 3.24Å; A240-P268 WeakPolarHBondContact CA-O 3.48Å; A240-P268 HydrophobicContact CB-CB 4.36Å; A240-P268 HydrophobicContact CB-CG 3.87Å; F241-P268 PolarHBondContact N-O 3.37Å; P268-Q294 VanDerWaalsContact CA-O 3.27Å; P268-Q294 WeakPolarHBondContact CA-O 3.43Å; P268-Q294 HydrophobicContact CB-CB 3.77Å
269L96.8Very high94.1Very high2 Ų253.3 Ų53.31%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-119.6125.1178.1178.962.2000111.2F241 L243 A258 L259 C262 I271 Q294 V295 C296F241-L269 HydrophobicContact CB-CD1 4.05Å; L243-L269 HydrophobicContact CB-CD1 4.04Å; A258-L269 HydrophobicContact CB-CD2 4.49Å; L259-L269 HydrophobicContact CD2-CD2 3.81Å; C262-L269 HydrophobicContact CB-CB 4.2Å; L269-I271 HydrophobicContact CD2-CD1 4.22Å; L269-I271 HydrophobicContact CD2-CG1 3.99Å; L269-I271 HydrophobicContact CG-CG1 4.02Å; L269-Q294 PolarHBondContact N-O 3.17Å; L269-V295 HydrophobicContact CB-CG2 4.42Å; L269-V295 VanDerWaalsContact O-CA 3.29Å; L269-V295 WeakPolarHBondContact O-CA 3.4Å; L269-C296 PolarHBondContact O-N 3.24Å; L269-C296 VanDerWaalsContact O-N 3.08Å
270L97.3Very high94.2Very high0 Ų052.5 Ų52.50%026%0.255CS..EExtended strand (participates in β ladder)trans-98.9127.3165.2-177.671.5000109.5F241 V242 L243 I272 C296 V298 V346 V348 L355F241-L270 PolarHBondContact O-N 3.4Å; V242-L270 CarbonylContact C-O 3.5Å; V242-L270 WeakPolarHBondContact CA-O 3.49Å; V242-L270 HydrophobicContact CG1-CB 4.45Å; V242-L270 HydrophobicContact CG1-CD2 4.18Å; V242-L270 HydrophobicContact CG2-CB 4.43Å; V242-L270 HydrophobicContact CG2-CD2 4.44Å; L243-L270 PolarHBondContact N-O 3.16Å; L270-I272 HydrophobicContact CD2-CD1 3.86Å; L270-I272 HydrophobicContact CD2-CG1 4.05Å; L270-I272 HydrophobicContact CG-CD1 4.48Å; L270-I272 HydrophobicContact CG-CG1 4.14Å; L270-C296 WeakPolarHBondContact CA-O 3.46Å; L270-C296 HydrophobicContact CD1-CB 4.06Å; L270-V298 HydrophobicContact CD1-CG2 3.95Å; L270-V346 HydrophobicContact CD1-CG1 4.25Å; L270-V346 HydrophobicContact CD2-CG1 3.81Å; L270-V346 HydrophobicContact CD2-CG2 4.27Å; L270-V348 HydrophobicContact CD1-CG2 3.89Å; L270-L355 HydrophobicContact CD2-CD2 3.41Å; L270-L355 VanDerWaalsContact CD2-CD2 3.41Å
271I97.4Very high94.4Very high0 Ų048.9 Ų48.90%024%0.239CC..EExtended strand (participates in β ladder)trans-106119.8176.6-61169.5000108.3L243 I249 L255 L269 A273 V276 L284 V295 C296 A297 V298L243-I271 HydrophobicContact CD2-CG2 3.99Å; I249-I271 HydrophobicContact CD1-CG2 4.09Å; L255-I271 HydrophobicContact CD1-CD1 4.08Å; L255-I271 HydrophobicContact CD2-CD1 3.94Å; L269-I271 HydrophobicContact CD2-CD1 4.22Å; L269-I271 HydrophobicContact CD2-CG1 3.99Å; L269-I271 HydrophobicContact CG-CG1 4.02Å; I271-A273 HydrophobicContact CG2-CB 4.35Å; I271-V276 HydrophobicContact CG2-CG2 3.94Å; I271-L284 HydrophobicContact CD1-CD1 3.89Å; I271-L284 HydrophobicContact CD1-CD2 4.23Å; I271-V295 HydrophobicContact CD1-CG2 3.89Å; I271-V295 HydrophobicContact CG1-CG2 4.39Å; I271-C296 PolarHBondContact N-O 3.37Å; I271-A297 HydrophobicContact CB-CB 4.28Å; I271-A297 WeakPolarHBondContact O-CA 3.42Å; I271-V298 PolarHBondContact O-N 2.89Å
272I97.2Very high94.5Very high0 Ų051.1 Ų51.10%025%0.254CS..EExtended strand (participates in β ladder)trans-115.3105.2173.3-57.2174.6000107.5F217 V242 L243 F244 S245 L270 V298 A300 L311 M314 L355F217-I272 HydrophobicContact CE1-CD1 4.07Å; F217-I272 HydrophobicContact CZ-CD1 3.68Å; F217-I272 HydrophobicContact CZ-CG1 4.28Å; V242-I272 HydrophobicContact CG1-CD1 3.8Å; V242-I272 HydrophobicContact CG1-CG1 4.24Å; L243-I272 PolarHBondContact O-N 3.02Å; F244-I272 CarbonylContact C-O 3.42Å; F244-I272 WeakPolarHBondContact CA-O 3.44Å; F244-I272 HydrophobicContact CD1-CB 4.14Å; F244-I272 HydrophobicContact CD1-CD1 4.24Å; F244-I272 HydrophobicContact CE1-CD1 3.76Å; S245-I272 PolarHBondContact N-O 3.27Å; L270-I272 HydrophobicContact CD2-CD1 3.86Å; L270-I272 HydrophobicContact CD2-CG1 4.05Å; L270-I272 HydrophobicContact CG-CD1 4.48Å; L270-I272 HydrophobicContact CG-CG1 4.14Å; I272-V298 WeakPolarHBondContact CA-O 3.49Å; I272-A300 HydrophobicContact CG2-CB 4.26Å; I272-L311 HydrophobicContact CG2-CD2 3.78Å; I272-M314 HydrophobicContact CD1-SD 4.23Å; I272-M314 HydrophobicContact CG2-CE 4.04Å; I272-L355 HydrophobicContact CD1-CD1 4.27Å
273A95.8Very high94.7Very high0 Ų051.8 Ų51.80%026%0.26CS..EExtended strand (participates in β ladder)trans-129.2165.9-177.400000111S245 I249 I271 D275 V276 V298 K299 A300S245-A273 VanDerWaalsContact O-CA 3.28Å; S245-A273 WeakPolarHBondContact O-CA 3.26Å; I249-A273 HydrophobicContact CD1-CB 3.79Å; I249-A273 HydrophobicContact CG1-CB 4.02Å; I271-A273 HydrophobicContact CG2-CB 4.35Å; A273-D275 PolarHBondContact O-N 3.2Å; A273-V276 HydrophobicContact CB-CG2 3.93Å; A273-V298 PolarHBondContact N-O 3.34Å; A273-K299 CarbonylContact O-C 3.6Å; A273-K299 WeakPolarHBondContact O-CA 3.43Å; A273-A300 WeakPolarHBondContact O-CB 3.46Å; A273-A300 PolarHBondContact O-N 2.89Å
274E95Very high95Very high60 Ų6045.5 Ų45.528%0.2823%0.231SC..SBendtrans-51.3-47.7169.7163.7168.3-145.500111.3S245 E246 K247 K248 R307S245-E274 PolarHBondContact O-N 3.04Å; E246-E274 WeakPolarHBondContact O-CB 3.4Å; K247-E274 PolarHBondContact O-N 2.91Å; K248-E274 HydrophobicContact CG-CB 4.14Å; K248-E274 HydrophobicContact CG-CG 3.67Å; E274-R307 VanDerWaalsContact CD-CZ 3.47Å; E274-R307 IonicContact OE1-CZ 2.94Å; E274-R307 IonicContact OE1-NH1 2.67Å; E274-R307 PolarHBondContact OE1-NH1 2.87Å; E274-R307 IonicContact OE1-NH2 3.24Å; E274-R307 PolarHBondContact OE1-NH2 3.14Å; E274-R307 VanDerWaalsContact OE1-NH2 3.08Å; E274-R307 IonicContact OE2-CZ 2.76Å; E274-R307 IonicContact OE2-NH2 3.3Å; E274-R307 PolarHBondContact OE2-NH2 3.31Å
275D95.1Very high95.1Very high22 Ų2239.9 Ų39.912%0.11821%0.206CC..  trans-156.7155.5169-144.6-21000110K248 I249 A273 K299K248-D275 WeakPolarHBondContact CA-O 3.28Å; K248-D275 HydrophobicContact CD-CB 4.26Å; K248-D275 HydrophobicContact CG-CB 4.01Å; I249-D275 PolarHBondContact N-O 3.05Å; A273-D275 PolarHBondContact O-N 3.2Å; D275-K299 VanDerWaalsContact CG-NZ 3.26Å; D275-K299 WeakPolarHBondContact OD1-CE 3.48Å; D275-K299 IonicContact OD1-NZ 3.63Å; D275-K299 PolarHBondContact OD1-NZ 2.91Å; D275-K299 VanDerWaalsContact OD1-NZ 3.15Å; D275-K299 IonicContact OD2-NZ 3.72Å; D275-K299 PolarHBondContact OD2-NZ 2.97Å
276V95.7Very high95.1Very high1 Ų139 Ų391%0.00620%0.204CC..BIsolated β-bridgetrans-123.1107.3169.2-175.40000107.5I222 I249 I271 A273 A280 L281 L284 A297I222-V276 HydrophobicContact CD1-CB 3.77Å; I222-V276 HydrophobicContact CD1-CG2 4.09Å; I249-V276 HydrophobicContact CB-CG2 4.42Å; I271-V276 HydrophobicContact CG2-CG2 3.94Å; A273-V276 HydrophobicContact CB-CG2 3.93Å; V276-A280 HydrophobicContact CG1-CB 4.12Å; V276-L281 HydrophobicContact CG1-CB 4.31Å; V276-L284 HydrophobicContact CG1-CD1 3.93Å; V276-A297 HydrophobicContact CB-CB 4.19Å; V276-A297 HydrophobicContact CG1-CB 4.45Å; V276-A297 HydrophobicContact CG2-CB 3.99Å
277E94Very high95.2Very high68 Ų6832.7 Ų32.732%0.31818%0.179SC..  trans-132.4175-171.162-178.9175.700112.3K248 I249 N250 E279 A280K248-E277 IonicContact NZ-OE1 2.76Å; I249-E277 PolarHBondContact O-N 3.38Å; I249-E277 VanDerWaalsContact O-N 3.12Å; N250-E277 PolarHBondContact ND2-OE1 2.85Å; N250-E277 WeakPolarHBondContact OD1-CG 3.46Å; N250-E277 PolarHBondContact OD1-OE1 3.48Å; E277-E279 PolarHBondContact O-N 3.24Å; E277-A280 PolarHBondContact O-N 2.63Å
278G93.5Very high95.1Very high48 Ų4831.8 Ų31.850%0.49518%0.176SC..Hα-helixtrans62.1-131.3173.100000114.9T282G278-T282 PolarHBondContact O-N 3.35Å; G278-T282 PolarHBondContact O-OG1 3.04Å
279E94.8Very high94.9Very high125 Ų12536.3 Ų36.358%0.58420%0.199SC*.Hα-helixtrans-66-40.1-176.2-173.3-178.6174.100111.4N250 I252 E277 L281 T282 A283N250-E279 PolarHBondContact O-N 2.94Å; I252-E279 HydrophobicContact CG2-CG 4.47Å; E277-E279 PolarHBondContact O-N 3.24Å; E279-L281 PolarHBondContact O-N 3.4Å; E279-T282 PolarHBondContact O-N 2.95Å; E279-A283 VanDerWaalsContact O-CB 3.32Å; E279-A283 WeakPolarHBondContact O-CB 3.48Å; E279-A283 PolarHBondContact O-N 2.65Å
280A95.4Very high94.6Very high0 Ų044.1 Ų44.10%023%0.233CC..Hα-helixtrans-57-52.2178.800000111.8I249 N250 L255 V276 E277 T282 A283 L284I249-A280 HydrophobicContact CG2-CB 4.04Å; N250-A280 PolarHBondContact O-N 3.49Å; N250-A280 VanDerWaalsContact O-N 3.14Å; L255-A280 HydrophobicContact CD1-CB 4.3Å; V276-A280 HydrophobicContact CG1-CB 4.12Å; E277-A280 PolarHBondContact O-N 2.63Å; A280-T282 PolarHBondContact O-N 3.27Å; A280-A283 PolarHBondContact O-N 3.4Å; A280-L284 VanDerWaalsContact O-CG 3.27Å; A280-L284 WeakPolarHBondContact O-CG 3.31Å; A280-L284 PolarHBondContact O-N 3.06Å
281L95.7Very high94.2Very high38 Ų3850.5 Ų50.520%0.19927%0.266CS..Hα-helixtrans-62.2-44.6179.3-178.163.2000111.8I222 F226 V276 E279 A283 L284 V285I222-L281 HydrophobicContact CB-CD1 4.41Å; I222-L281 HydrophobicContact CG2-CD1 3.95Å; I222-L281 HydrophobicContact CG2-CD2 3.77Å; F226-L281 HydrophobicContact CE2-CD1 4.09Å; F226-L281 HydrophobicContact CZ-CD1 4.01Å; V276-L281 HydrophobicContact CG1-CB 4.31Å; E279-L281 PolarHBondContact O-N 3.4Å; L281-A283 VanDerWaalsContact C-N 3.33Å; L281-A283 PolarHBondContact O-N 3.44Å; L281-L284 PolarHBondContact O-N 3.03Å; L281-V285 HydrophobicContact CD1-CG2 4.22Å; L281-V285 HydrophobicContact CG-CG2 4.45Å; L281-V285 WeakPolarHBondContact O-CG2 3.33Å; L281-V285 PolarHBondContact O-N 3.35Å
282T95.2Very high93.8Very high83 Ų8352.5 Ų52.551%0.50929%0.287SS..Hα-helixtrans-60.7-44.3-179.9-56.20000111.1G278 E279 A280 L286G278-T282 PolarHBondContact O-N 3.35Å; G278-T282 PolarHBondContact O-OG1 3.04Å; E279-T282 PolarHBondContact O-N 2.95Å; A280-T282 PolarHBondContact O-N 3.27Å; T282-L286 HydrophobicContact CG2-CD1 4.01Å; T282-L286 WeakPolarHBondContact O-CB 3.35Å; T282-L286 VanDerWaalsContact O-CG 3.3Å; T282-L286 WeakPolarHBondContact O-CG 3.11Å; T282-L286 PolarHBondContact O-N 2.86Å
283A94.6Very high93.4Very high18 Ų1854.2 Ų54.215%0.14930%0.296CS..Hα-helixtrans-65.4-43.4177.400000112.2I252 E279 A280 L281 L286 N287I252-A283 HydrophobicContact CB-CB 4.18Å; I252-A283 HydrophobicContact CD1-CB 3.84Å; I252-A283 HydrophobicContact CG1-CB 3.88Å; E279-A283 VanDerWaalsContact O-CB 3.32Å; E279-A283 WeakPolarHBondContact O-CB 3.48Å; E279-A283 PolarHBondContact O-N 2.65Å; A280-A283 PolarHBondContact O-N 3.4Å; L281-A283 VanDerWaalsContact C-N 3.33Å; L281-A283 PolarHBondContact O-N 3.44Å; A283-L286 PolarHBondContact O-N 2.96Å; A283-N287 WeakPolarHBondContact O-CB 3.41Å; A283-N287 PolarHBondContact O-N 3.19Å; A283-N287 PolarHBondContact O-ND2 3.32Å
284L95.6Very high93.3Very high0 Ų059.1 Ų59.10%032%0.319CS..Hα-helixtrans-59.8-47.7176.3-71.3174.5000111.5F226 L255 L259 I271 V276 A280 L281 N287 R288 V295 A297F226-L284 HydrophobicContact CE1-CB 4.12Å; F226-L284 HydrophobicContact CZ-CB 4.11Å; L255-L284 HydrophobicContact CD1-CD1 4.13Å; L255-L284 HydrophobicContact CD1-CG 4.5Å; L259-L284 HydrophobicContact CD1-CD2 4.04Å; L259-L284 HydrophobicContact CD2-CD2 4.02Å; I271-L284 HydrophobicContact CD1-CD1 3.89Å; I271-L284 HydrophobicContact CD1-CD2 4.23Å; V276-L284 HydrophobicContact CG1-CD1 3.93Å; A280-L284 VanDerWaalsContact O-CG 3.27Å; A280-L284 WeakPolarHBondContact O-CG 3.31Å; A280-L284 PolarHBondContact O-N 3.06Å; L281-L284 PolarHBondContact O-N 3.03Å; L284-N287 PolarHBondContact O-N 3.38Å; L284-R288 VanDerWaalsContact O-CB 3.27Å; L284-R288 WeakPolarHBondContact O-CB 3.37Å; L284-R288 PolarHBondContact O-N 3.46Å; L284-V295 HydrophobicContact CB-CG1 4.46Å; L284-V295 HydrophobicContact CD2-CG1 4.03Å; L284-V295 HydrophobicContact CD2-CG2 3.89Å; L284-A297 HydrophobicContact CD1-CB 4.37Å
285V94.4Very high93.3Very high19 Ų1956.3 Ų56.312%0.11531%0.306CS..Hα-helixtrans-62.6-46.6178.71690000111.1Y225 F226 L281 N287 R288 L289Y225-V285 HydrophobicContact CD2-CG1 3.73Å; Y225-V285 HydrophobicContact CG-CG1 3.94Å; F226-V285 HydrophobicContact CE1-CG2 4.3Å; F226-V285 HydrophobicContact CZ-CG2 4.13Å; L281-V285 HydrophobicContact CD1-CG2 4.22Å; L281-V285 HydrophobicContact CG-CG2 4.45Å; L281-V285 WeakPolarHBondContact O-CG2 3.33Å; L281-V285 PolarHBondContact O-N 3.35Å; V285-N287 PolarHBondContact O-N 3.38Å; V285-R288 PolarHBondContact O-N 3.4Å; V285-L289 HydrophobicContact CG1-CD1 3.85Å; V285-L289 HydrophobicContact CG1-CG 4.42Å; V285-L289 WeakPolarHBondContact O-CB 3.4Å; V285-L289 WeakPolarHBondContact O-CG 3.48Å; V285-L289 PolarHBondContact O-N 3.03Å
286L93.7Very high93.4Very high78 Ų7855.3 Ų55.341%0.40830%0.3SS..Hα-helixtrans-63-42.5179.2-76.5173.6000112.3T282 A283 L289 K290T282-L286 HydrophobicContact CG2-CD1 4.01Å; T282-L286 WeakPolarHBondContact O-CB 3.35Å; T282-L286 VanDerWaalsContact O-CG 3.3Å; T282-L286 WeakPolarHBondContact O-CG 3.11Å; T282-L286 PolarHBondContact O-N 2.86Å; A283-L286 PolarHBondContact O-N 2.96Å; L286-L289 PolarHBondContact O-N 3.31Å; L286-K290 VanDerWaalsContact O-CB 3.29Å; L286-K290 WeakPolarHBondContact O-CB 3.49Å; L286-K290 WeakPolarHBondContact O-CG 3.34Å; L286-K290 PolarHBondContact O-N 3.31Å
287N92.5Very high93.5Very high55 Ų5555.2 Ų55.229%0.29430%0.3SS..Hα-helixtrans-69.5-36.7177.9-73.7-43.5000112A283 L284 V285 L291 G292 L293A283-N287 WeakPolarHBondContact O-CB 3.41Å; A283-N287 PolarHBondContact O-N 3.19Å; A283-N287 PolarHBondContact O-ND2 3.32Å; L284-N287 PolarHBondContact O-N 3.38Å; V285-N287 PolarHBondContact O-N 3.38Å; N287-L291 HydrophobicContact CB-CD1 4.46Å; N287-L291 WeakPolarHBondContact O-CA 3.46Å; N287-L291 VanDerWaalsContact O-CB 3.3Å; N287-L291 WeakPolarHBondContact O-CB 3.2Å; N287-L291 PolarHBondContact O-N 3.46Å; N287-L291 WeakPolarHBondContact OD1-CD1 3.35Å; N287-G292 PolarHBondContact O-N 3.33Å; N287-L293 HydrophobicContact CB-CB 4.32Å; N287-L293 HydrophobicContact CB-CD2 3.93Å; N287-L293 PolarHBondContact O-N 2.96Å
288R91.2Very high93.6Very high46 Ų4652 Ų5217%0.17429%0.285CS..Hα-helixtrans-60.7-43.3171.9173.163.8-173.984.92.9112.1Y225 F226 L227 L284 V285 G292 L293Y225-R288 WeakPolarHBondContact O-CG 3.45Å; F226-R288 HydrophobicContact CD1-CG 4.29Å; L227-R288 PolarHBondContact O-NH2 3.06Å; L284-R288 VanDerWaalsContact O-CB 3.27Å; L284-R288 WeakPolarHBondContact O-CB 3.37Å; L284-R288 PolarHBondContact O-N 3.46Å; V285-R288 PolarHBondContact O-N 3.4Å; R288-G292 VanDerWaalsContact O-CA 3.29Å; R288-G292 WeakPolarHBondContact O-CA 2.77Å; R288-G292 PolarHBondContact O-N 2.8Å; R288-L293 WeakPolarHBondContact CD-O 3.42Å
289L91.7Very high93.8Very high99 Ų9953.4 Ų53.452%0.51828%0.277SS..Hα-helixtrans-76.9-40.5-178.2-70.5174.9000113.1Y225 V285 L286Y225-L289 HydrophobicContact CD1-CD1 4.1Å; Y225-L289 HydrophobicContact CD1-CD2 4.13Å; Y225-L289 HydrophobicContact CG-CD1 4.24Å; V285-L289 HydrophobicContact CG1-CD1 3.85Å; V285-L289 HydrophobicContact CG1-CG 4.42Å; V285-L289 WeakPolarHBondContact O-CB 3.4Å; V285-L289 WeakPolarHBondContact O-CG 3.48Å; V285-L289 PolarHBondContact O-N 3.03Å; L286-L289 PolarHBondContact O-N 3.31Å
290K91.5Very high93.8Very high166 Ų16647.7 Ų47.772%0.72225%0.251SS*.Hα-helixtrans-88.2-41.3-175.8-69.1-175.5176-178.70113.8L286L286-K290 VanDerWaalsContact O-CB 3.29Å; L286-K290 WeakPolarHBondContact O-CB 3.49Å; L286-K290 WeakPolarHBondContact O-CG 3.34Å; L286-K290 PolarHBondContact O-N 3.31Å
291L88.6Confident93.6Very high135 Ų13548.2 Ų48.271%0.70725%0.254SS*.Hα-helixtrans-104.6-6.9-173.8-56.3177000112.7N287 L293N287-L291 HydrophobicContact CB-CD1 4.46Å; N287-L291 WeakPolarHBondContact O-CA 3.46Å; N287-L291 VanDerWaalsContact O-CB 3.3Å; N287-L291 WeakPolarHBondContact O-CB 3.2Å; N287-L291 PolarHBondContact O-N 3.46Å; N287-L291 WeakPolarHBondContact OD1-CD1 3.35Å; L291-L293 PolarHBondContact O-N 2.85Å
292G88Confident93.3Very high41 Ų4147.4 Ų47.442%0.42326%0.255SS..  trans67.921.5-174.400000113.2N287 R288 Q294N287-G292 PolarHBondContact O-N 3.33Å; R288-G292 VanDerWaalsContact O-CA 3.29Å; R288-G292 WeakPolarHBondContact O-CA 2.77Å; R288-G292 PolarHBondContact O-N 2.8Å; G292-Q294 PolarHBondContact O-N 3.24Å
293L89.6Confident92.9Very high37 Ų3750.9 Ų50.919%0.19426%0.264CS..  trans-57.3121.3-179.8-178.465.9000110.3L259 N287 R288 L291 V295L259-L293 HydrophobicContact CD2-CD2 4.24Å; N287-L293 HydrophobicContact CB-CB 4.32Å; N287-L293 HydrophobicContact CB-CD2 3.93Å; N287-L293 PolarHBondContact O-N 2.96Å; R288-L293 WeakPolarHBondContact CD-O 3.42Å; L291-L293 PolarHBondContact O-N 2.85Å; L293-V295 VanDerWaalsContact C-N 3.35Å; L293-V295 HydrophobicContact CD2-CG1 4.09Å; L293-V295 HydrophobicContact CG-CB 4.41Å; L293-V295 HydrophobicContact CG-CG1 4.16Å; L293-V295 PolarHBondContact O-N 3.47Å
294Q93.6Very high92.6Very high103 Ų10352.2 Ų52.248%0.48128%0.279SS..  trans-80.482.3-177.7-61.8-176.3-23.100110.8F237 P268 L269 G292F237-Q294 HydrophobicContact CD1-CB 4.44Å; F237-Q294 HydrophobicContact CE1-CB 3.81Å; F237-Q294 HydrophobicContact CZ-CB 4.3Å; P268-Q294 VanDerWaalsContact CA-O 3.27Å; P268-Q294 WeakPolarHBondContact CA-O 3.43Å; P268-Q294 HydrophobicContact CB-CB 3.77Å; L269-Q294 PolarHBondContact N-O 3.17Å; G292-Q294 PolarHBondContact O-N 3.24Å
295V95.6Very high92.3Very high1 Ų157.1 Ų57.11%0.00631%0.305CS..EExtended strand (participates in β ladder)trans-131.6144.9178.565.60000110.9F226 L259 L269 I271 L284 L293F226-V295 WeakPolarHBondContact CD1-O 3.5Å; F226-V295 HydrophobicContact CE1-CG1 4.19Å; L259-V295 HydrophobicContact CD2-CG2 4.37Å; L269-V295 HydrophobicContact CB-CG2 4.42Å; L269-V295 VanDerWaalsContact O-CA 3.29Å; L269-V295 WeakPolarHBondContact O-CA 3.4Å; I271-V295 HydrophobicContact CD1-CG2 3.89Å; I271-V295 HydrophobicContact CG1-CG2 4.39Å; L284-V295 HydrophobicContact CB-CG1 4.46Å; L284-V295 HydrophobicContact CD2-CG1 4.03Å; L284-V295 HydrophobicContact CD2-CG2 3.89Å; L293-V295 VanDerWaalsContact C-N 3.35Å; L293-V295 HydrophobicContact CD2-CG1 4.09Å; L293-V295 HydrophobicContact CG-CB 4.41Å; L293-V295 HydrophobicContact CG-CG1 4.16Å; L293-V295 PolarHBondContact O-N 3.47Å
296C96.5Very high92.1Very high0 Ų058.3 Ų58.30%031%0.311CS..EExtended strand (participates in β ladder)trans-139.3136.1171.3-174.20000109.2F226 F237 L269 L270 I271F226-C296 HydrophobicContact CB-CB 4.24Å; F226-C296 HydrophobicContact CG-CB 4.4Å; F237-C296 HydrophobicContact CE2-CB 3.63Å; F237-C296 HydrophobicContact CZ-CB 4.09Å; L269-C296 PolarHBondContact O-N 3.24Å; L269-C296 VanDerWaalsContact O-N 3.08Å; L270-C296 WeakPolarHBondContact CA-O 3.46Å; L270-C296 HydrophobicContact CD1-CB 4.06Å; I271-C296 PolarHBondContact N-O 3.37Å
297A97.4Very high92.1Very high0 Ų056.4 Ų56.40%030%0.298CS..EExtended strand (participates in β ladder)trans-114133.5177.100000110.8I222 F226 I271 V276 L284I222-A297 HydrophobicContact CD1-CB 4.11Å; I222-A297 PolarHBondContact N-O 3.01Å; F226-A297 HydrophobicContact CE2-CB 3.91Å; F226-A297 HydrophobicContact CZ-CB 4.13Å; I271-A297 HydrophobicContact CB-CB 4.28Å; I271-A297 WeakPolarHBondContact O-CA 3.42Å; V276-A297 HydrophobicContact CB-CB 4.19Å; V276-A297 HydrophobicContact CG1-CB 4.45Å; V276-A297 HydrophobicContact CG2-CB 3.99Å; L284-A297 HydrophobicContact CD1-CB 4.37Å
298V97Very high92.1Very high0 Ų056.2 Ų56.20%030%0.295CS..EExtended strand (participates in β ladder)trans-133.1143.3-175.8178.30000108.8F217 R219 G220 L270 I271 I272 A273 V348 C353F217-V298 HydrophobicContact CE2-CG1 3.65Å; F217-V298 HydrophobicContact CZ-CG1 4.13Å; R219-V298 HydrophobicContact CB-CG1 3.7Å; R219-V298 VanDerWaalsContact O-CG1 3.24Å; R219-V298 WeakPolarHBondContact O-CG1 3.35Å; G220-V298 WeakPolarHBondContact O-CG1 3.34Å; L270-V298 HydrophobicContact CD1-CG2 3.95Å; I271-V298 PolarHBondContact O-N 2.89Å; I272-V298 WeakPolarHBondContact CA-O 3.49Å; A273-V298 PolarHBondContact N-O 3.34Å; V298-V348 HydrophobicContact CG2-CG1 3.55Å; V298-V348 HydrophobicContact CG2-CG2 4.26Å; V298-C353 HydrophobicContact CG1-CB 4.27Å
299K96.7Very high92.2Very high78 Ų7856.4 Ų56.434%0.33930%0.299SS..EExtended strand (participates in β ladder)trans-75146.5174.6-57.6-163.8-170.2-156.70110.8R219 I222 A273 D275R219-K299 VanDerWaalsContact CB-O 3.23Å; R219-K299 WeakPolarHBondContact CB-O 3.43Å; R219-K299 VanDerWaalsContact CG-O 3.28Å; R219-K299 WeakPolarHBondContact CG-O 3.26Å; I222-K299 HydrophobicContact CD1-CG 3.95Å; I222-K299 HydrophobicContact CG1-CG 3.89Å; A273-K299 CarbonylContact O-C 3.6Å; A273-K299 WeakPolarHBondContact O-CA 3.43Å; D275-K299 VanDerWaalsContact CG-NZ 3.26Å; D275-K299 WeakPolarHBondContact OD1-CE 3.48Å; D275-K299 IonicContact OD1-NZ 3.63Å; D275-K299 PolarHBondContact OD1-NZ 2.91Å; D275-K299 VanDerWaalsContact OD1-NZ 3.15Å; D275-K299 IonicContact OD2-NZ 3.72Å; D275-K299 PolarHBondContact OD2-NZ 2.97Å
300A95.4Very high92.3Very high4 Ų452.3 Ų52.33%0.03328%0.278CS..PPolyproline II helixtrans-63.9137.8175.600000110.3I272 A273 R307 L311I272-A300 HydrophobicContact CG2-CB 4.26Å; A273-A300 WeakPolarHBondContact O-CB 3.46Å; A273-A300 PolarHBondContact O-N 2.89Å; A300-R307 HydrophobicContact CB-CG 3.75Å; A300-L311 HydrophobicContact CB-CD1 3.97Å; A300-L311 HydrophobicContact CB-CD2 3.91Å; A300-L311 HydrophobicContact CB-CG 4.02Å
301P92.6Very high92.4Very high11 Ų1144.4 Ų44.47%0.07124%0.244CC..SBendtrans-72.6150.4177.230.5-35.2000111.6F217 R219 R307 T310 M314F217-P301 HydrophobicContact CB-CB 3.89Å; F217-P301 HydrophobicContact CB-CG 3.93Å; F217-P301 HydrophobicContact CD2-CB 3.87Å; F217-P301 HydrophobicContact CD2-CG 3.75Å; F217-P301 HydrophobicContact CE2-CG 4.4Å; F217-P301 HydrophobicContact CG-CB 4.18Å; F217-P301 HydrophobicContact CG-CG 3.9Å; R219-P301 HydrophobicContact CG-CB 4.35Å; P301-R307 WeakPolarHBondContact O-CA 3.11Å; P301-R307 WeakPolarHBondContact O-CG 3.23Å; P301-T310 HydrophobicContact CG-CG2 3.66Å; P301-M314 HydrophobicContact CG-CE 3.9Å; P301-M314 HydrophobicContact CG-SD 4.4Å
302G87.3Confident92.7Very high21 Ų2143 Ų4322%0.21623%0.232CC..SBendtrans80.1-175.4179.300000114.7
303F86.8Confident92.9Very high157 Ų15741.1 Ų41.169%0.68921%0.212SC*.SBendtrans-137.5155.1-179.3-58.9-82.7000109.9D305 N306 R307F303-D305 PolarHBondContact O-N 3.35Å; F303-N306 WeakPolarHBondContact O-CB 3.35Å; F303-N306 PolarHBondContact O-N 3.27Å; F303-R307 PolarHBondContact O-N 3.12Å
304G89.5Confident93.1Very high45 Ų4539.4 Ų39.446%0.46420%0.203SC..Hα-helixtrans52.5-135.6177.100000113N306 R307 K308G304-N306 VanDerWaalsContact C-N 3.28Å; G304-N306 PolarHBondContact O-N 3.49Å; G304-R307 WeakPolarHBondContact O-CB 3.45Å; G304-R307 PolarHBondContact O-N 3.2Å; G304-R307 VanDerWaalsContact O-N 3.13Å; G304-K308 PolarHBondContact O-N 2.9Å
305D89.3Confident93.1Very high104 Ų10434.7 Ų34.756%0.55618%0.182SC*.Hα-helixtrans-67.8-26.4-178.4-61-36000113.5F303 R307 K308 N309F303-D305 PolarHBondContact O-N 3.35Å; D305-R307 VanDerWaalsContact C-N 3.27Å; D305-R307 PolarHBondContact O-N 3.19Å; D305-K308 PolarHBondContact O-N 3.38Å; D305-K308 IonicContact OD1-NZ 3.97Å; D305-K308 PolarHBondContact OD1-NZ 3.05Å; D305-N309 WeakPolarHBondContact O-CB 3.34Å; D305-N309 PolarHBondContact O-N 3.33Å; D305-N309 PolarHBondContact O-ND2 3.43Å; D305-N309 VanDerWaalsContact O-ND2 3.09Å
306N90.1Very high93Very high43 Ų4336.2 Ų36.223%0.2319%0.191CC..Hα-helixtrans-63.1-37.2173.3-172.741.3000111.1F303 G304 T310F303-N306 WeakPolarHBondContact O-CB 3.35Å; F303-N306 PolarHBondContact O-N 3.27Å; G304-N306 VanDerWaalsContact C-N 3.28Å; G304-N306 PolarHBondContact O-N 3.49Å; N306-T310 VanDerWaalsContact O-CB 3.32Å; N306-T310 WeakPolarHBondContact O-CB 3.31Å; N306-T310 PolarHBondContact O-N 3.36Å; N306-T310 PolarHBondContact O-OG1 2.92Å
307R93.3Very high92.8Very high39 Ų3937.1 Ų37.115%0.14720%0.199CC..Hα-helixtrans-64.2-47.6175.6-176.9178.172.8-169.39111.6E274 A300 P301 F303 G304 D305 N309 T310 L311E274-R307 VanDerWaalsContact CD-CZ 3.47Å; E274-R307 IonicContact OE1-CZ 2.94Å; E274-R307 IonicContact OE1-NH1 2.67Å; E274-R307 PolarHBondContact OE1-NH1 2.87Å; E274-R307 IonicContact OE1-NH2 3.24Å; E274-R307 PolarHBondContact OE1-NH2 3.14Å; E274-R307 VanDerWaalsContact OE1-NH2 3.08Å; E274-R307 IonicContact OE2-CZ 2.76Å; E274-R307 IonicContact OE2-NH2 3.3Å; E274-R307 PolarHBondContact OE2-NH2 3.31Å; A300-R307 HydrophobicContact CB-CG 3.75Å; P301-R307 WeakPolarHBondContact O-CA 3.11Å; P301-R307 WeakPolarHBondContact O-CG 3.23Å; F303-R307 PolarHBondContact O-N 3.12Å; G304-R307 WeakPolarHBondContact O-CB 3.45Å; G304-R307 PolarHBondContact O-N 3.2Å; G304-R307 VanDerWaalsContact O-N 3.13Å; D305-R307 VanDerWaalsContact C-N 3.27Å; D305-R307 PolarHBondContact O-N 3.19Å; R307-N309 VanDerWaalsContact C-N 3.35Å; R307-N309 PolarHBondContact O-N 2.89Å; R307-T310 PolarHBondContact O-N 2.93Å; R307-L311 HydrophobicContact CG-CD1 4.18Å; R307-L311 WeakPolarHBondContact O-CB 3.44Å; R307-L311 WeakPolarHBondContact O-CG 3.24Å; R307-L311 PolarHBondContact O-N 3.1Å
308K93.4Very high92.7Very high50 Ų5037.2 Ų37.222%0.21720%0.2CC..Hα-helixtrans-58.5-48.4178.6-56-177-174.7154.30111.1E246 G304 D305 T310 L311 K312 E326E246-K308 HydrophobicContact CG-CG 4.22Å; E246-K308 WeakPolarHBondContact OE1-CD 3.38Å; E246-K308 WeakPolarHBondContact OE1-CE 3.4Å; E246-K308 VanDerWaalsContact OE1-CG 3.27Å; E246-K308 WeakPolarHBondContact OE1-CG 3.3Å; G304-K308 PolarHBondContact O-N 2.9Å; D305-K308 PolarHBondContact O-N 3.38Å; D305-K308 IonicContact OD1-NZ 3.97Å; D305-K308 PolarHBondContact OD1-NZ 3.05Å; K308-T310 PolarHBondContact O-N 2.95Å; K308-L311 PolarHBondContact O-N 3.46Å; K308-K312 PolarHBondContact O-N 3.1Å; K308-E326 IonicContact NZ-OE1 2.78Å; K308-E326 PolarHBondContact NZ-OE1 3Å
309N93.1Very high92.5Very high51 Ų5139.2 Ų39.227%0.27322%0.22SC..Hα-helixtrans-64.1-41.4179-81.1-47.4000112.8D305 R307 K312 D313 R368D305-N309 WeakPolarHBondContact O-CB 3.34Å; D305-N309 PolarHBondContact O-N 3.33Å; D305-N309 PolarHBondContact O-ND2 3.43Å; D305-N309 VanDerWaalsContact O-ND2 3.09Å; R307-N309 VanDerWaalsContact C-N 3.35Å; R307-N309 PolarHBondContact O-N 2.89Å; N309-K312 WeakPolarHBondContact O-CB 3.33Å; N309-K312 PolarHBondContact O-N 3.05Å; N309-D313 PolarHBondContact O-N 3.38Å; N309-D313 VanDerWaalsContact O-OD1 3.06Å; N309-R368 PolarHBondContact O-NH2 2.84Å; N309-R368 PolarHBondContact OD1-NH2 3.47Å
310T92.9Very high92.3Very high13 Ų1336 Ų368%0.0821%0.21CC..Hα-helixtrans-68.6-39177.6-53.60000111.9P301 N306 R307 K308 K312 D313 M314P301-T310 HydrophobicContact CG-CG2 3.66Å; N306-T310 VanDerWaalsContact O-CB 3.32Å; N306-T310 WeakPolarHBondContact O-CB 3.31Å; N306-T310 PolarHBondContact O-N 3.36Å; N306-T310 PolarHBondContact O-OG1 2.92Å; R307-T310 PolarHBondContact O-N 2.93Å; K308-T310 PolarHBondContact O-N 2.95Å; T310-K312 VanDerWaalsContact C-N 3.31Å; T310-K312 PolarHBondContact O-N 3.35Å; T310-D313 WeakPolarHBondContact O-CB 3.46Å; T310-D313 PolarHBondContact O-N 3.18Å; T310-M314 HydrophobicContact CG2-CE 4.48Å; T310-M314 WeakPolarHBondContact O-CG 3.38Å; T310-M314 PolarHBondContact O-N 2.89Å
311L94.4Very high92.2Very high0 Ų037.8 Ų37.80%022%0.218CC..Hα-helixtrans-58.6-44.1172.1-81.8168.7000111.3F244 E246 I272 A300 R307 K308 D313 M314 A315 V322F244-L311 HydrophobicContact CB-CD2 4.43Å; F244-L311 HydrophobicContact CD1-CD2 4.09Å; E246-L311 HydrophobicContact CB-CD1 4.45Å; I272-L311 HydrophobicContact CG2-CD2 3.78Å; A300-L311 HydrophobicContact CB-CD1 3.97Å; A300-L311 HydrophobicContact CB-CD2 3.91Å; A300-L311 HydrophobicContact CB-CG 4.02Å; R307-L311 HydrophobicContact CG-CD1 4.18Å; R307-L311 WeakPolarHBondContact O-CB 3.44Å; R307-L311 WeakPolarHBondContact O-CG 3.24Å; R307-L311 PolarHBondContact O-N 3.1Å; K308-L311 PolarHBondContact O-N 3.46Å; L311-D313 VanDerWaalsContact C-N 3.35Å; L311-D313 PolarHBondContact O-N 3.13Å; L311-M314 HydrophobicContact CD2-CE 3.73Å; L311-M314 HydrophobicContact CG-CE 4.26Å; L311-M314 PolarHBondContact O-N 3.41Å; L311-A315 WeakPolarHBondContact O-CB 3.41Å; L311-A315 PolarHBondContact O-N 3.06Å; L311-V322 HydrophobicContact CB-CG1 4.41Å; L311-V322 HydrophobicContact CB-CG2 4.24Å
312K93.3Very high92.2Very high104 Ų10438.3 Ų38.345%0.45222%0.221SC..Hα-helixtrans-62.8-40.6175.8-171173.4-176.9175.80112.2K308 N309 T310 M314 A315 V316K308-K312 PolarHBondContact O-N 3.1Å; N309-K312 WeakPolarHBondContact O-CB 3.33Å; N309-K312 PolarHBondContact O-N 3.05Å; T310-K312 VanDerWaalsContact C-N 3.31Å; T310-K312 PolarHBondContact O-N 3.35Å; K312-M314 VanDerWaalsContact C-N 3.34Å; K312-M314 PolarHBondContact O-N 3.21Å; K312-A315 PolarHBondContact O-N 3.46Å; K312-V316 WeakPolarHBondContact O-CG2 3.38Å; K312-V316 PolarHBondContact O-N 3.31Å
313D93.2Very high92.5Very high2 Ų237.5 Ų37.51%0.01121%0.211CC..Hα-helixtrans-60.7-44176.1-60.8-16.4000111.2N309 T310 L311 V316 A317 R368 R391 L395N309-D313 PolarHBondContact O-N 3.38Å; N309-D313 VanDerWaalsContact O-OD1 3.06Å; T310-D313 WeakPolarHBondContact O-CB 3.46Å; T310-D313 PolarHBondContact O-N 3.18Å; L311-D313 VanDerWaalsContact C-N 3.35Å; L311-D313 PolarHBondContact O-N 3.13Å; D313-V316 PolarHBondContact O-N 3.32Å; D313-A317 WeakPolarHBondContact O-CB 3.46Å; D313-A317 PolarHBondContact O-N 2.89Å; D313-R368 IonicContact OD1-CZ 3.08Å; D313-R368 IonicContact OD1-NE 3.15Å; D313-R368 PolarHBondContact OD1-NE 3.1Å; D313-R368 IonicContact OD1-NH2 3.27Å; D313-R368 PolarHBondContact OD1-NH2 2.93Å; D313-R391 IonicContact OD1-NH2 3.35Å; D313-R391 PolarHBondContact OD1-NH2 2.69Å; D313-R391 IonicContact OD2-CZ 3.9Å; D313-R391 VanDerWaalsContact OD2-CZ 3.26Å; D313-R391 IonicContact OD2-NE 2.68Å; D313-R391 PolarHBondContact OD2-NE 3.45Å; D313-R391 IonicContact OD2-NH2 2.76Å; D313-R391 PolarHBondContact OD2-NH2 3.42Å; D313-L395 HydrophobicContact CB-CD1 4.12Å; D313-L395 HydrophobicContact CB-CD2 4.28Å; D313-L395 HydrophobicContact CB-CG 4.45Å
314M93.7Very high92.4Very high1 Ų130.4 Ų30.41%0.00518%0.182CC..Hα-helixtrans-66.2-40.7175.9-64.2-173.8-71.400112.4M215 F217 F244 I272 P301 T310 L311 K312 A317 T318 L355M215-M314 HydrophobicContact CE-CB 4.13Å; M215-M314 HydrophobicContact CE-CG 3.46Å; M215-M314 VanDerWaalsContact CE-CG 3.46Å; M215-M314 HydrophobicContact SD-CB 3.94Å; M215-M314 HydrophobicContact SD-CG 3.62Å; F217-M314 HydrophobicContact CD1-SD 3.7Å; F217-M314 HydrophobicContact CE1-SD 3.56Å; F217-M314 VanDerWaalsContact CE1-SD 3.56Å; F217-M314 HydrophobicContact CG-SD 4.41Å; F217-M314 HydrophobicContact CZ-SD 4.15Å; F244-M314 HydrophobicContact CD1-CB 4.28Å; F244-M314 HydrophobicContact CE1-CB 3.46Å; F244-M314 VanDerWaalsContact CE1-CB 3.46Å; F244-M314 HydrophobicContact CE1-CE 4.41Å; F244-M314 HydrophobicContact CE1-SD 4.47Å; F244-M314 HydrophobicContact CZ-CB 3.89Å; I272-M314 HydrophobicContact CD1-SD 4.23Å; I272-M314 HydrophobicContact CG2-CE 4.04Å; P301-M314 HydrophobicContact CG-CE 3.9Å; P301-M314 HydrophobicContact CG-SD 4.4Å; T310-M314 HydrophobicContact CG2-CE 4.48Å; T310-M314 WeakPolarHBondContact O-CG 3.38Å; T310-M314 PolarHBondContact O-N 2.89Å; L311-M314 HydrophobicContact CD2-CE 3.73Å; L311-M314 HydrophobicContact CG-CE 4.26Å; L311-M314 PolarHBondContact O-N 3.41Å; K312-M314 VanDerWaalsContact C-N 3.34Å; K312-M314 PolarHBondContact O-N 3.21Å; M314-A317 PolarHBondContact O-N 3.23Å; M314-T318 WeakPolarHBondContact O-CB 3.36Å; M314-T318 VanDerWaalsContact O-CG2 3.31Å; M314-T318 WeakPolarHBondContact O-CG2 3.33Å; M314-T318 PolarHBondContact O-N 3.41Å; M314-T318 PolarHBondContact O-OG1 3.01Å; M314-L355 HydrophobicContact SD-CD1 4.5Å
315A94.3Very high91.9Very high4 Ų429.9 Ų29.93%0.03317%0.169CC..Hα-helixtrans-61.2-47.7176.800000111F244 L311 K312 A317 T318 G319 G320 V322F244-A315 HydrophobicContact CD2-CB 3.97Å; F244-A315 HydrophobicContact CE2-CB 4.19Å; F244-A315 HydrophobicContact CG-CB 4.38Å; L311-A315 WeakPolarHBondContact O-CB 3.41Å; L311-A315 PolarHBondContact O-N 3.06Å; K312-A315 PolarHBondContact O-N 3.46Å; A315-A317 PolarHBondContact O-N 3.11Å; A315-T318 PolarHBondContact O-N 3.48Å; A315-T318 PolarHBondContact O-OG1 3.43Å; A315-G319 WeakPolarHBondContact O-CA 3.24Å; A315-G319 PolarHBondContact O-N 3.19Å; A315-G320 CarbonylContact C-O 3.57Å; A315-G320 WeakPolarHBondContact CB-O 3.13Å; A315-G320 PolarHBondContact O-N 3.47Å; A315-V322 HydrophobicContact CB-CG2 3.63Å
316V93.7Very high91Very high33 Ų3332.5 Ų32.520%0.218%0.178CC..Hα-helixtrans-61.8-45.3176.2173.20000111.6K312 D313 T318 G319 G360 D364 V365 R368K312-V316 WeakPolarHBondContact O-CG2 3.38Å; K312-V316 PolarHBondContact O-N 3.31Å; D313-V316 PolarHBondContact O-N 3.32Å; V316-T318 VanDerWaalsContact C-N 3.26Å; V316-T318 PolarHBondContact O-N 3.22Å; V316-G319 PolarHBondContact O-N 3.3Å; V316-G360 WeakPolarHBondContact O-CA 3.48Å; V316-D364 HydrophobicContact CG1-CB 3.94Å; V316-V365 HydrophobicContact CG1-CG2 4.15Å; V316-R368 HydrophobicContact CG1-CB 4.23Å
317A92.3Very high90.1Very high20 Ų2033.6 Ų33.617%0.16519%0.193CC..Hα-helixtrans-63.8-30.5179.700000113.3M215 D313 M314 A315 G358 G360 L395M215-A317 HydrophobicContact CE-CB 4.33Å; M215-A317 HydrophobicContact SD-CB 3.86Å; D313-A317 WeakPolarHBondContact O-CB 3.46Å; D313-A317 PolarHBondContact O-N 2.89Å; M314-A317 PolarHBondContact O-N 3.23Å; A315-A317 PolarHBondContact O-N 3.11Å; A317-G358 CarbonylContact O-C 3.55Å; A317-G358 WeakPolarHBondContact O-CA 3.24Å; A317-G360 WeakPolarHBondContact O-CA 3.22Å; A317-G360 PolarHBondContact O-N 3.4Å; A317-G360 VanDerWaalsContact O-N 3.08Å; A317-L395 HydrophobicContact CB-CD2 4.1Å
318T93.9Very high89Confident2 Ų234.9 Ų34.91%0.01220%0.203CC..Hα-helixtrans-99.3-7.6-17961.40000113.8F244 M314 A315 V316 R342 V343 L355F244-T318 WeakPolarHBondContact CE2-OG1 3.3Å; F244-T318 HydrophobicContact CZ-CG2 4.21Å; F244-T318 VanDerWaalsContact CZ-OG1 3.29Å; F244-T318 WeakPolarHBondContact CZ-OG1 3.24Å; M314-T318 WeakPolarHBondContact O-CB 3.36Å; M314-T318 VanDerWaalsContact O-CG2 3.31Å; M314-T318 WeakPolarHBondContact O-CG2 3.33Å; M314-T318 PolarHBondContact O-N 3.41Å; M314-T318 PolarHBondContact O-OG1 3.01Å; A315-T318 PolarHBondContact O-N 3.48Å; A315-T318 PolarHBondContact O-OG1 3.43Å; V316-T318 VanDerWaalsContact C-N 3.26Å; V316-T318 PolarHBondContact O-N 3.22Å; T318-R342 PolarHBondContact O-N 2.94Å; T318-V343 HydrophobicContact CG2-CG1 3.41Å; T318-V343 VanDerWaalsContact CG2-CG1 3.41Å; T318-L355 HydrophobicContact CG2-CD1 4.24Å
319G92.9Very high88.1Confident41 Ų4138.7 Ų38.742%0.42322%0.223SC..THydrogen-bonded Turntrans74.726.3-177.400000114.1A315 V316A315-G319 WeakPolarHBondContact O-CA 3.24Å; A315-G319 PolarHBondContact O-N 3.19Å; V316-G319 PolarHBondContact O-N 3.3Å
320G92.7Very high87.6Confident12 Ų1241.4 Ų41.412%0.12423%0.23CC..  trans-105.5179.8174.800000112.9A315 D339A315-G320 CarbonylContact C-O 3.57Å; A315-G320 WeakPolarHBondContact CB-O 3.13Å; A315-G320 PolarHBondContact O-N 3.47Å; G320-D339 WeakPolarHBondContact CA-O 3.44Å
321I93.2Very high87.3Confident40 Ų4046 Ų4621%0.20525%0.249CC..  trans-114.2161.6171.967.6178000110.8F323 Y330 D339I321-F323 HydrophobicContact CD1-CE1 4.09Å; I321-F323 HydrophobicContact CD1-CZ 4.04Å; I321-F323 HydrophobicContact CG1-CE1 4.42Å; I321-F323 HydrophobicContact CG1-CE2 4.12Å; I321-F323 HydrophobicContact CG1-CZ 4.01Å; I321-Y330 HydrophobicContact CD1-CD1 3.44Å; I321-Y330 VanDerWaalsContact CD1-CD1 3.44Å; I321-Y330 HydrophobicContact CD1-CD2 3.83Å; I321-Y330 HydrophobicContact CD1-CE1 3.82Å; I321-Y330 HydrophobicContact CD1-CE2 4.18Å; I321-Y330 HydrophobicContact CD1-CG 3.43Å; I321-Y330 VanDerWaalsContact CD1-CG 3.43Å; I321-D339 HydrophobicContact CD1-CB 3.57Å; I321-D339 HydrophobicContact CG1-CB 3.76Å; I321-D339 PolarHBondContact N-O 3.2Å
322V93.9Very high87Confident23 Ų2346.8 Ų46.814%0.13925%0.253CS..EExtended strand (participates in β ladder)trans-98.7122.7174.6-175.70000108.7F244 E246 L311 A315F244-V322 HydrophobicContact CB-CB 4.49Å; F244-V322 HydrophobicContact CB-CG1 4.5Å; F244-V322 HydrophobicContact CB-CG2 4.17Å; E246-V322 HydrophobicContact CB-CG1 4.09Å; L311-V322 HydrophobicContact CB-CG1 4.41Å; L311-V322 HydrophobicContact CB-CG2 4.24Å; A315-V322 HydrophobicContact CB-CG2 3.63Å
323F93.5Very high86.8Confident3 Ų346.3 Ų46.31%0.01325%0.253CS..EExtended strand (participates in β ladder)trans-85.7145.7177.8-67.4-83.7000112F244 E246 I321 L332 V335 D339F244-F323 WeakPolarHBondContact O-CD2 3.42Å; F244-F323 PolarHBondContact O-N 3.32Å; E246-F323 PolarHBondContact N-O 3.4Å; I321-F323 HydrophobicContact CD1-CE1 4.09Å; I321-F323 HydrophobicContact CD1-CZ 4.04Å; I321-F323 HydrophobicContact CG1-CE1 4.42Å; I321-F323 HydrophobicContact CG1-CE2 4.12Å; I321-F323 HydrophobicContact CG1-CZ 4.01Å; F323-L332 HydrophobicContact CB-CD1 3.61Å; F323-L332 HydrophobicContact CD1-CD1 4.1Å; F323-L332 HydrophobicContact CD2-CD1 3.73Å; F323-L332 HydrophobicContact CE2-CD1 4.44Å; F323-L332 HydrophobicContact CG-CD1 3.54Å; F323-V335 HydrophobicContact CE1-CB 4.14Å; F323-V335 HydrophobicContact CE1-CG2 4.36Å; F323-V335 HydrophobicContact CE2-CG2 4.18Å; F323-V335 HydrophobicContact CZ-CB 3.88Å; F323-V335 HydrophobicContact CZ-CG2 3.6Å; F323-D339 HydrophobicContact CE1-CB 4.46Å; F323-D339 HydrophobicContact CE2-CB 4.36Å; F323-D339 HydrophobicContact CZ-CB 3.62Å
324G84.7Confident86.7Confident8 Ų851.5 Ų51.58%0.08228%0.28CS..THydrogen-bonded Turntrans70.532.7176.900000113.9K247 Y330K247-G324 VanDerWaalsContact CE-O 3.27Å; K247-G324 WeakPolarHBondContact CE-O 3.26Å; G324-Y330 PolarHBondContact N-O 2.89Å
325D77.4Confident86.6Confident34 Ų3451.6 Ų51.618%0.18228%0.281CS..  trans-59.8166.316967.4-17.9000111.2A327 D328 M329D325-A327 PolarHBondContact O-N 3.35Å; D325-A327 VanDerWaalsContact O-N 3.08Å; D325-D328 WeakPolarHBondContact O-CA 3.14Å; D325-D328 PolarHBondContact O-N 2.98Å; D325-D328 WeakPolarHBondContact OD1-CA 3.43Å; D325-D328 PolarHBondContact OD1-N 3.41Å; D325-M329 PolarHBondContact OD1-N 2.82Å; D325-M329 WeakPolarHBondContact OD2-CE 2.94Å
326E71Confident86.5Confident159 Ų15956.5 Ų56.574%0.74330%0.303SS*.THydrogen-bonded Turntrans-58.6-25.4-178.1-67.6-175.816900113.3K308 D328K308-E326 IonicContact NZ-OE1 2.78Å; K308-E326 PolarHBondContact NZ-OE1 3Å; E326-D328 VanDerWaalsContact C-N 3.33Å
327A70.8Confident86.5Confident67 Ų6756.9 Ų56.955%0.55430%0.304SS*.THydrogen-bonded Turntrans-82-10.2175.500000113.5D325 M329D325-A327 PolarHBondContact O-N 3.35Å; D325-A327 VanDerWaalsContact O-N 3.08Å; A327-M329 HydrophobicContact CB-CE 3.8Å; A327-M329 HydrophobicContact CB-CG 3.82Å; A327-M329 HydrophobicContact CB-SD 4.48Å; A327-M329 PolarHBondContact O-N 3.3Å; A327-M329 VanDerWaalsContact O-N 3.15Å
328D70.3Confident86.5Confident66 Ų6663 Ų6335%0.35333%0.33SS..  trans47.636.6-175.3-143.145.3000112.2K247 D325 E326 Y330K247-D328 IonicContact NZ-OD1 2.77Å; K247-D328 PolarHBondContact NZ-OD1 3.5Å; D325-D328 WeakPolarHBondContact O-CA 3.14Å; D325-D328 PolarHBondContact O-N 2.98Å; D325-D328 WeakPolarHBondContact OD1-CA 3.43Å; D325-D328 PolarHBondContact OD1-N 3.41Å; E326-D328 VanDerWaalsContact C-N 3.33Å; D328-Y330 PolarHBondContact O-N 3.39Å
329M74.1Confident86.5Confident130 Ų13064 Ų6464%0.6433%0.334SS*.  trans-65.6-30.2-175.3-78.7-169.6-8700111.6D325 A327D325-M329 PolarHBondContact OD1-N 2.82Å; D325-M329 WeakPolarHBondContact OD2-CE 2.94Å; A327-M329 HydrophobicContact CB-CE 3.8Å; A327-M329 HydrophobicContact CB-CG 3.82Å; A327-M329 HydrophobicContact CB-SD 4.48Å; A327-M329 PolarHBondContact O-N 3.3Å; A327-M329 VanDerWaalsContact O-N 3.15Å
330Y83.4Confident86.6Confident108 Ų10862 Ų6242%0.42431%0.314SS..SBendtrans-127.7115.3-179.2-57.2-79.4000110.4I321 G324 D328I321-Y330 HydrophobicContact CD1-CD1 3.44Å; I321-Y330 VanDerWaalsContact CD1-CD1 3.44Å; I321-Y330 HydrophobicContact CD1-CD2 3.83Å; I321-Y330 HydrophobicContact CD1-CE1 3.82Å; I321-Y330 HydrophobicContact CD1-CE2 4.18Å; I321-Y330 HydrophobicContact CD1-CG 3.43Å; I321-Y330 VanDerWaalsContact CD1-CG 3.43Å; G324-Y330 PolarHBondContact N-O 2.89Å; D328-Y330 PolarHBondContact O-N 3.39Å
331K86.9Confident86.7Confident110 Ų11061.4 Ų61.448%0.47831%0.308SS..  trans-87.2143.7173.7-70.6-173.5-179.7-1800110.6E333 D334K331-E333 WeakPolarHBondContact CB-OE2 3.47Å; K331-E333 PolarHBondContact O-N 2.93Å; K331-D334 PolarHBondContact O-N 2.98Å
332L89Confident86.8Confident16 Ų1664.3 Ų64.38%0.08432%0.317CS..G310 helixtrans-68.5-28.5-176.8-154.674.1000111.6L243 I249 T254 L255 F323 D334 V335L243-L332 HydrophobicContact CD1-CD1 3.96Å; L243-L332 HydrophobicContact CD2-CD1 4.04Å; L243-L332 HydrophobicContact CG-CD1 4.17Å; I249-L332 HydrophobicContact CD1-CD2 4.1Å; T254-L332 WeakPolarHBondContact O-CD2 3.41Å; T254-L332 WeakPolarHBondContact O-CG 3.47Å; L255-L332 HydrophobicContact CD2-CD2 4.07Å; F323-L332 HydrophobicContact CB-CD1 3.61Å; F323-L332 HydrophobicContact CD1-CD1 4.1Å; F323-L332 HydrophobicContact CD2-CD1 3.73Å; F323-L332 HydrophobicContact CE2-CD1 4.44Å; F323-L332 HydrophobicContact CG-CD1 3.54Å; L332-D334 VanDerWaalsContact C-N 3.27Å; L332-D334 PolarHBondContact O-N 3.07Å; L332-V335 WeakPolarHBondContact O-CB 3.29Å; L332-V335 WeakPolarHBondContact O-CG1 3.01Å; L332-V335 PolarHBondContact O-N 2.95Å
333E88.3Confident86.9Confident93 Ų9363.3 Ų63.344%0.43531%0.31SS..G310 helixtrans-67.9-26.1179.6-60.679.5-173.100112.9T254 P257 K331T254-E333 VanDerWaalsContact CG2-OE1 3.23Å; T254-E333 WeakPolarHBondContact CG2-OE1 3.43Å; P257-E333 WeakPolarHBondContact CG-O 3.43Å; K331-E333 WeakPolarHBondContact CB-OE2 3.47Å; K331-E333 PolarHBondContact O-N 2.93Å
334D90.1Very high86.8Confident111 Ų11163.7 Ų63.759%0.59431%0.314SS*.G310 helixtrans-100.49.5-176.3-62.3-44.9000113K331 L332 Q336K331-D334 PolarHBondContact O-N 2.98Å; L332-D334 VanDerWaalsContact C-N 3.27Å; L332-D334 PolarHBondContact O-N 3.07Å; D334-Q336 PolarHBondContact O-N 3.28Å; D334-Q336 PolarHBondContact O-NE2 3.33Å; D334-Q336 VanDerWaalsContact O-NE2 3.12Å
335V92.8Very high87.2Confident4 Ų464.9 Ų64.92%0.02432%0.318CS..  trans-50.5132-176.858.40000112.9P257 A258 L261 F323 L332 D339 L340P257-V335 HydrophobicContact CB-CG1 3.75Å; A258-V335 HydrophobicContact CB-CG1 4.02Å; L261-V335 HydrophobicContact CD1-CG1 4.37Å; L261-V335 WeakPolarHBondContact CD1-O 3.47Å; F323-V335 HydrophobicContact CE1-CB 4.14Å; F323-V335 HydrophobicContact CE1-CG2 4.36Å; F323-V335 HydrophobicContact CE2-CG2 4.18Å; F323-V335 HydrophobicContact CZ-CB 3.88Å; F323-V335 HydrophobicContact CZ-CG2 3.6Å; L332-V335 WeakPolarHBondContact O-CB 3.29Å; L332-V335 WeakPolarHBondContact O-CG1 3.01Å; L332-V335 PolarHBondContact O-N 2.95Å; V335-D339 HydrophobicContact CG2-CB 4.49Å; V335-L340 HydrophobicContact CG2-CD2 3.91Å; V335-L340 HydrophobicContact CG2-CG 4.13Å
336Q92.9Very high88Confident106 Ų10663.3 Ų63.350%0.49531%0.309SS..  trans-110162171.1-57.6-58.8-51.900111.1D334 Q338 D339D334-Q336 PolarHBondContact O-N 3.28Å; D334-Q336 PolarHBondContact O-NE2 3.33Å; D334-Q336 VanDerWaalsContact O-NE2 3.12Å; Q336-Q338 HydrophobicContact CB-CG 4.15Å; Q336-Q338 PolarHBondContact O-N 3.24Å; Q336-Q338 VanDerWaalsContact O-N 3.12Å; Q336-D339 WeakPolarHBondContact CA-OD2 3.41Å; Q336-D339 WeakPolarHBondContact CB-OD2 3.34Å; Q336-D339 PolarHBondContact N-OD2 2.99Å; Q336-D339 WeakPolarHBondContact O-CB 3.28Å; Q336-D339 PolarHBondContact O-N 3.22Å
337L91.7Very high89Confident42 Ų4256.3 Ų56.322%0.2228%0.278CS..THydrogen-bonded Turntrans-63-22.6-178.5-166.168.8000113.9F241 L261 Q265F241-L337 HydrophobicContact CE1-CD1 3.89Å; F241-L337 HydrophobicContact CE1-CG 4.28Å; F241-L337 HydrophobicContact CE2-CD1 3.86Å; F241-L337 HydrophobicContact CZ-CD1 3.49Å; F241-L337 VanDerWaalsContact CZ-CD1 3.49Å; F241-L337 HydrophobicContact CZ-CD2 4.47Å; F241-L337 HydrophobicContact CZ-CG 4.08Å; L261-L337 HydrophobicContact CB-CD1 4.41Å; Q265-L337 HydrophobicContact CG-CD1 3.9Å; Q265-L337 HydrophobicContact CG-CD2 3.94Å
338Q92.6Very high90.1Very high149 Ų14953.1 Ų53.170%0.69625%0.251SS*.THydrogen-bonded Turntrans-80.6-19.1177.368.2-172.36.900113Q336Q336-Q338 HydrophobicContact CB-CG 4.15Å; Q336-Q338 PolarHBondContact O-N 3.24Å; Q336-Q338 VanDerWaalsContact O-N 3.12Å
339D93.8Very high91.1Very high21 Ų2152 Ų5211%0.11225%0.247CC..THydrogen-bonded Turntrans-82.2-23.2-178-56.4-24.6000111.2G320 I321 F323 V335 Q336G320-D339 WeakPolarHBondContact CA-O 3.44Å; I321-D339 HydrophobicContact CD1-CB 3.57Å; I321-D339 HydrophobicContact CG1-CB 3.76Å; I321-D339 PolarHBondContact N-O 3.2Å; F323-D339 HydrophobicContact CE1-CB 4.46Å; F323-D339 HydrophobicContact CE2-CB 4.36Å; F323-D339 HydrophobicContact CZ-CB 3.62Å; V335-D339 HydrophobicContact CG2-CB 4.49Å; Q336-D339 WeakPolarHBondContact CA-OD2 3.41Å; Q336-D339 WeakPolarHBondContact CB-OD2 3.34Å; Q336-D339 PolarHBondContact N-OD2 2.99Å; Q336-D339 WeakPolarHBondContact O-CB 3.28Å; Q336-D339 PolarHBondContact O-N 3.22Å
340L95.3Very high91.8Very high0 Ų052 Ų520%024%0.243CC..SBendtrans-76.1132.6176.1-60.8178000111.1F241 L243 V335F241-L340 HydrophobicContact CB-CB 4.25Å; F241-L340 HydrophobicContact CB-CD1 4.09Å; F241-L340 HydrophobicContact CD1-CB 3.97Å; F241-L340 HydrophobicContact CD1-CD1 4.38Å; F241-L340 HydrophobicContact CG-CB 4.42Å; F241-L340 HydrophobicContact CG-CD1 4.2Å; L243-L340 HydrophobicContact CB-CD2 3.88Å; L243-L340 HydrophobicContact CD1-CD2 4.15Å; L243-L340 HydrophobicContact CG-CD2 4.26Å; V335-L340 HydrophobicContact CG2-CD2 3.91Å; V335-L340 HydrophobicContact CG2-CG 4.13Å
341G95.4Very high92Very high0 Ų051.5 Ų51.50%025%0.248CC..EExtended strand (participates in β ladder)trans-62.2155.2170.200000111.4F241 V242F241-G341 CarbonylContact C-O 3.47Å; F241-G341 VanDerWaalsContact CA-O 3.28Å; F241-G341 WeakPolarHBondContact CA-O 3.46Å; V242-G341 PolarHBondContact N-O 3.5Å; V242-G341 PolarHBondContact O-N 3.35Å
342R95.9Very high92.2Very high101 Ų10148.3 Ų48.338%0.38124%0.236SC..EExtended strand (participates in β ladder)trans-128.2131.9-179.9-64.6173.9-172.7-171.71110.2F241 T318 R359F241-R342 HydrophobicContact CD1-CG 3.9Å; F241-R342 HydrophobicContact CE1-CG 3.86Å; T318-R342 PolarHBondContact O-N 2.94Å; R342-R359 HydrophobicContact CB-CB 3.95Å; R342-R359 HydrophobicContact CB-CG 3.97Å; R342-R359 PolarHBondContact O-N 3.47Å
343V94.6Very high92.4Very high1 Ų147.5 Ų47.51%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-134.6138.1-179.8-68.70000108.8D239 A240 V242 T318 E345 V346 L355D239-V343 CarbonylContact C-O 3.58Å; D239-V343 VanDerWaalsContact CA-O 3.31Å; D239-V343 WeakPolarHBondContact CA-O 3.41Å; A240-V343 HydrophobicContact CB-CG2 3.83Å; A240-V343 PolarHBondContact N-O 3.17Å; A240-V343 PolarHBondContact O-N 3.34Å; A240-V343 VanDerWaalsContact O-N 3.11Å; V242-V343 HydrophobicContact CG2-CB 4.4Å; V242-V343 HydrophobicContact CG2-CG1 3.86Å; V242-V343 HydrophobicContact CG2-CG2 3.61Å; T318-V343 HydrophobicContact CG2-CG1 3.41Å; T318-V343 VanDerWaalsContact CG2-CG1 3.41Å; V343-E345 VanDerWaalsContact C-N 3.29Å; V343-V346 HydrophobicContact CB-CG2 4.29Å; V343-V346 HydrophobicContact CG2-CG2 3.28Å; V343-L355 HydrophobicContact CG1-CB 4.17Å
344A92.9Very high92.6Very high12 Ų1243.7 Ų43.710%0.09921%0.214CC..EExtended strand (participates in β ladder)trans-72.3-29.4177.800000111.5Q238 D239 M356 R357Q238-A344 CarbonylContact C-O 2.92Å; Q238-A344 WeakPolarHBondContact CA-O 3.48Å; D239-A344 PolarHBondContact N-O 2.76Å; A344-M356 PolarHBondContact N-O 3.46Å; A344-R357 HydrophobicContact CB-CB 3.73Å; A344-R357 HydrophobicContact CB-CG 4.46Å; A344-R357 PolarHBondContact N-O 3.15Å
345E91.8Very high92.7Very high33 Ų3338.5 Ų38.515%0.15419%0.187CC..EExtended strand (participates in β ladder)trans-152.5141.8179.8-166.2-177156.800111.9K200 F237 V343 M356K200-E345 WeakPolarHBondContact CE-OE1 3.39Å; K200-E345 IonicContact NZ-OE1 2.68Å; K200-E345 PolarHBondContact NZ-OE1 2.94Å; K200-E345 IonicContact NZ-OE2 3.46Å; K200-E345 PolarHBondContact NZ-OE2 2.9Å; F237-E345 CarbonylContact O-C 3.58Å; F237-E345 VanDerWaalsContact O-CA 3.29Å; F237-E345 WeakPolarHBondContact O-CA 3.17Å; V343-E345 VanDerWaalsContact C-N 3.29Å; E345-M356 HydrophobicContact CB-CB 4.26Å; E345-M356 HydrophobicContact CB-CE 3.97Å; E345-M356 HydrophobicContact CG-CE 3.71Å; E345-M356 PolarHBondContact N-O 3.01Å; E345-M356 PolarHBondContact O-N 3.2Å
346V93.6Very high92.5Very high0 Ų038.4 Ų38.40%019%0.186CC..EExtended strand (participates in β ladder)trans-127.6136174.7179.40000109.1E236 F237 A240 L270 V343 V348 L354 L355E236-V346 CarbonylContact C-O 3.59Å; E236-V346 VanDerWaalsContact CA-O 3.31Å; E236-V346 WeakPolarHBondContact CA-O 3.43Å; F237-V346 HydrophobicContact CB-CB 4.28Å; F237-V346 PolarHBondContact N-O 2.83Å; F237-V346 PolarHBondContact O-N 2.84Å; A240-V346 HydrophobicContact CB-CG2 3.97Å; L270-V346 HydrophobicContact CD1-CG1 4.25Å; L270-V346 HydrophobicContact CD2-CG1 3.81Å; L270-V346 HydrophobicContact CD2-CG2 4.27Å; V343-V346 HydrophobicContact CB-CG2 4.29Å; V343-V346 HydrophobicContact CG2-CG2 3.28Å; V346-V348 HydrophobicContact CG1-CG2 3.62Å; V346-L354 WeakPolarHBondContact CA-O 3.46Å; V346-L355 HydrophobicContact CB-CD2 4.5Å; V346-L355 HydrophobicContact CG1-CD2 4.07Å; V346-L355 HydrophobicContact CG2-CD2 3.86Å
347V92.7Very high92.2Very high13 Ų1338 Ų388%0.07918%0.18CC..EExtended strand (participates in β ladder)trans-127119.2168.6-175.40000108.6R234 C235 E236 L354 M356R234-V347 HydrophobicContact CB-CG1 4.42Å; C235-V347 CarbonylContact O-C 3.6Å; C235-V347 WeakPolarHBondContact O-CA 3.25Å; E236-V347 HydrophobicContact CG-CG1 4.25Å; E236-V347 HydrophobicContact CG-CG2 4.19Å; V347-L354 HydrophobicContact CB-CB 4.32Å; V347-L354 PolarHBondContact N-O 3.48Å; V347-L354 PolarHBondContact O-N 3.41Å; V347-M356 HydrophobicContact CG2-CE 3.67Å
348V94.6Very high92.1Very high0 Ų037 Ų370%018%0.18CC..EExtended strand (participates in β ladder)trans-116.6122.8178-1680000109.4Y221 R234 C235 L270 V298 V346 D352 C353Y221-V348 HydrophobicContact CD1-CG1 4.32Å; R234-V348 CarbonylContact C-O 3.55Å; R234-V348 WeakPolarHBondContact CA-O 3.43Å; R234-V348 WeakPolarHBondContact CB-O 3.3Å; C235-V348 HydrophobicContact CB-CB 4.22Å; C235-V348 PolarHBondContact N-O 2.88Å; C235-V348 PolarHBondContact O-N 2.98Å; L270-V348 HydrophobicContact CD1-CG2 3.89Å; V298-V348 HydrophobicContact CG2-CG1 3.55Å; V298-V348 HydrophobicContact CG2-CG2 4.26Å; V346-V348 HydrophobicContact CG1-CG2 3.62Å; V348-D352 CarbonylContact C-O 3.58Å; V348-D352 WeakPolarHBondContact CA-O 3.41Å; V348-C353 HydrophobicContact CG1-CB 4.36Å
349T90.8Very high92.1Very high43 Ų4338 Ų3826%0.26418%0.178SC..  trans-103.6-169.9172.673.20000109.8G220 Y221 R234 D351 D352G220-T349 CarbonylContact C-O 3.41Å; G220-T349 WeakPolarHBondContact CA-O 3.45Å; Y221-T349 VanDerWaalsContact CD1-C 3.49Å; Y221-T349 WeakPolarHBondContact CD1-O 3.39Å; Y221-T349 WeakPolarHBondContact CE1-O 3.41Å; Y221-T349 PolarHBondContact N-O 2.83Å; Y221-T349 VanDerWaalsContact N-O 3.07Å; R234-T349 HydrophobicContact CB-CG2 4.25Å; T349-D351 VanDerWaalsContact C-N 3.28Å; T349-D351 PolarHBondContact OG1-N 3.29Å; T349-D352 PolarHBondContact N-O 3.28Å; T349-D352 WeakPolarHBondContact OG1-CB 3.48Å; T349-D352 PolarHBondContact OG1-N 3.45Å; T349-D352 PolarHBondContact OG1-O 3.13Å
350K89.5Confident91.8Very high130 Ų13038 Ų3857%0.56518%0.183SC*.SBendtrans-64.9-34.5174-179.7-170.3167.2-1590112G220 Y221G220-K350 VanDerWaalsContact CA-O 3.28Å; G220-K350 WeakPolarHBondContact CA-O 3.5Å; Y221-K350 HydrophobicContact CE1-CB 4.41Å
351D87.7Confident91.6Very high96 Ų9640.2 Ų40.251%0.51320%0.198SC..SBendtrans-114.4-23.6-169.5-53.9-61.3000112.4D218 R219 G220 T349D218-D351 CarbonylContact C-O 3.5Å; D218-D351 VanDerWaalsContact CA-O 3.31Å; D218-D351 WeakPolarHBondContact CA-O 3.2Å; R219-D351 CarbonylContact C-O 3.58Å; R219-D351 WeakPolarHBondContact CA-O 3.4Å; R219-D351 PolarHBondContact N-O 3.45Å; G220-D351 PolarHBondContact N-O 3.18Å; T349-D351 VanDerWaalsContact C-N 3.28Å; T349-D351 PolarHBondContact OG1-N 3.29Å
352D90.5Very high91.2Very high43 Ų4346.7 Ų46.723%0.2323%0.226CC..  trans-128.7152-171.4-62.9-45.8000113.4K216 R219 V348 T349K216-D352 WeakPolarHBondContact CE-OD1 3.45Å; K216-D352 WeakPolarHBondContact CE-OD2 3.49Å; K216-D352 IonicContact NZ-OD1 3.69Å; K216-D352 PolarHBondContact NZ-OD1 3.34Å; K216-D352 VanDerWaalsContact NZ-OD1 3.1Å; K216-D352 IonicContact NZ-OD2 2.69Å; K216-D352 PolarHBondContact NZ-OD2 3.25Å; R219-D352 CarbonylContact O-C 3.54Å; R219-D352 VanDerWaalsContact O-C 3.29Å; V348-D352 CarbonylContact C-O 3.58Å; V348-D352 WeakPolarHBondContact CA-O 3.41Å; T349-D352 PolarHBondContact N-O 3.28Å; T349-D352 WeakPolarHBondContact OG1-CB 3.48Å; T349-D352 PolarHBondContact OG1-N 3.45Å; T349-D352 PolarHBondContact OG1-O 3.13Å
353C92.9Very high91.1Very high0 Ų046.1 Ų46.10%023%0.234CC..EExtended strand (participates in β ladder)trans-129.2130.8166.3178.70000110K216 F217 R219 V298 V348K216-C353 WeakPolarHBondContact CA-O 3.44Å; F217-C353 HydrophobicContact CD1-CB 4.28Å; F217-C353 HydrophobicContact CD2-CB 4.18Å; F217-C353 HydrophobicContact CE1-CB 3.73Å; F217-C353 HydrophobicContact CE2-CB 3.63Å; F217-C353 HydrophobicContact CG-CB 4.5Å; F217-C353 HydrophobicContact CZ-CB 3.37Å; F217-C353 WeakPolarHBondContact CZ-SG 3.19Å; F217-C353 PolarHBondContact N-O 3.33Å; F217-C353 PolarHBondContact O-N 2.79Å; R219-C353 WeakPolarHBondContact O-CB 3.48Å; R219-C353 PolarHBondContact O-N 2.93Å; V298-C353 HydrophobicContact CG1-CB 4.27Å; V348-C353 HydrophobicContact CG1-CB 4.36Å
354L91.7Very high91Very high13 Ų1349.7 Ų49.77%0.06825%0.253CS..EExtended strand (participates in β ladder)trans-119.1120.4-178.7-175.867.5000109.8T196 T198 K216 V346 V347 M356 V399T196-L354 HydrophobicContact CG2-CD1 3.88Å; T198-L354 HydrophobicContact CG2-CD2 3.91Å; K216-L354 HydrophobicContact CB-CD1 3.82Å; K216-L354 HydrophobicContact CG-CD1 4.29Å; V346-L354 WeakPolarHBondContact CA-O 3.46Å; V347-L354 HydrophobicContact CB-CB 4.32Å; V347-L354 PolarHBondContact N-O 3.48Å; V347-L354 PolarHBondContact O-N 3.41Å; L354-M356 HydrophobicContact CD2-CE 3.77Å; L354-M356 HydrophobicContact CD2-CG 4.07Å; L354-M356 HydrophobicContact CD2-SD 3.65Å; L354-M356 HydrophobicContact CG-CE 4.18Å; L354-M356 HydrophobicContact CG-CG 3.94Å; L354-M356 HydrophobicContact CG-SD 4.18Å; L354-V399 HydrophobicContact CD1-CG1 4.18Å; L354-V399 HydrophobicContact CD1-CG2 3.86Å; L354-V399 HydrophobicContact CD2-CG1 4.38Å
355L92.6Very high90.9Very high2 Ų250.4 Ų50.41%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-105.8122.9173.7-52.2-179.9000108.8G214 M215 F217 L270 I272 M314 T318 V343 V346G214-L355 CarbonylContact C-O 3.44Å; G214-L355 WeakPolarHBondContact CA-O 3.39Å; M215-L355 HydrophobicContact CG-CB 3.95Å; M215-L355 HydrophobicContact CG-CD1 4.14Å; M215-L355 HydrophobicContact CG-CG 4.33Å; M215-L355 PolarHBondContact N-O 3.11Å; M215-L355 PolarHBondContact O-N 3.49Å; M215-L355 HydrophobicContact SD-CD1 4.18Å; F217-L355 HydrophobicContact CE1-CD1 4.24Å; F217-L355 HydrophobicContact CE1-CG 4.28Å; L270-L355 HydrophobicContact CD2-CD2 3.41Å; L270-L355 VanDerWaalsContact CD2-CD2 3.41Å; I272-L355 HydrophobicContact CD1-CD1 4.27Å; M314-L355 HydrophobicContact SD-CD1 4.5Å; T318-L355 HydrophobicContact CG2-CD1 4.24Å; V343-L355 HydrophobicContact CG1-CB 4.17Å; V346-L355 HydrophobicContact CB-CD2 4.5Å; V346-L355 HydrophobicContact CG1-CD2 4.07Å; V346-L355 HydrophobicContact CG2-CD2 3.86Å
356M88.7Confident90.9Very high1 Ų152.8 Ų52.81%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-121.3140.1-176.1-72173.1-72.400111.8T198 K200 I212 A344 E345 V347 L354 V401T198-M356 HydrophobicContact CG2-SD 4.29Å; K200-M356 PolarHBondContact NZ-SD 3.26Å; I212-M356 HydrophobicContact CG2-CB 4.03Å; I212-M356 HydrophobicContact CG2-CG 4.37Å; A344-M356 PolarHBondContact N-O 3.46Å; E345-M356 HydrophobicContact CB-CB 4.26Å; E345-M356 HydrophobicContact CB-CE 3.97Å; E345-M356 HydrophobicContact CG-CE 3.71Å; E345-M356 PolarHBondContact N-O 3.01Å; E345-M356 PolarHBondContact O-N 3.2Å; V347-M356 HydrophobicContact CG2-CE 3.67Å; L354-M356 HydrophobicContact CD2-CE 3.77Å; L354-M356 HydrophobicContact CD2-CG 4.07Å; L354-M356 HydrophobicContact CD2-SD 3.65Å; L354-M356 HydrophobicContact CG-CE 4.18Å; L354-M356 HydrophobicContact CG-CG 3.94Å; L354-M356 HydrophobicContact CG-SD 4.18Å; M356-V401 HydrophobicContact SD-CG2 4.03Å
357R87.3Confident90.9Very high97 Ų9759.3 Ų59.337%0.36630%0.298SS..EExtended strand (participates in β ladder)trans49.363.6-176.7-53.9-177.1-168.6132-5.3111.3E210 I212 E213 A344E210-R357 IonicContact OE1-CZ 3.68Å; E210-R357 IonicContact OE1-NE 2.72Å; E210-R357 IonicContact OE1-NH2 2.61Å; E210-R357 PolarHBondContact OE1-NH2 3.46Å; E210-R357 IonicContact OE2-NH2 3.8Å; E210-R357 PolarHBondContact OE2-NH2 3.1Å; I212-R357 HydrophobicContact CB-CG 4.36Å; I212-R357 HydrophobicContact CG1-CG 4.19Å; I212-R357 HydrophobicContact CG2-CB 4.37Å; I212-R357 HydrophobicContact CG2-CG 3.37Å; E213-R357 VanDerWaalsContact O-CA 3.28Å; E213-R357 WeakPolarHBondContact O-CA 3.5Å; E213-R357 PolarHBondContact O-N 3.46Å; A344-R357 HydrophobicContact CB-CB 3.73Å; A344-R357 HydrophobicContact CB-CG 4.46Å; A344-R357 PolarHBondContact N-O 3.15Å
358G89.9Confident90.9Very high23 Ų2359 Ų5924%0.23730%0.296CS..EExtended strand (participates in β ladder)trans-58.6144.1169.400000110.8A317 G360A317-G358 CarbonylContact O-C 3.55Å; A317-G358 WeakPolarHBondContact O-CA 3.24Å; G358-G360 VanDerWaalsContact C-N 3.31Å
359R90.9Very high90.7Very high170 Ų17060.1 Ų60.164%0.64230%0.301SS*.  trans-96.724.6179.5-59.3-70.8-170.9166.80.6112.6R342R342-R359 HydrophobicContact CB-CB 3.95Å; R342-R359 HydrophobicContact CB-CG 3.97Å; R342-R359 PolarHBondContact O-N 3.47Å
360G89.1Confident90.9Very high21 Ų2160.2 Ų60.222%0.21631%0.306CS..  trans-63.1154.7172.200000112.1V316 A317 G358 K362V316-G360 WeakPolarHBondContact O-CA 3.48Å; A317-G360 WeakPolarHBondContact O-CA 3.22Å; A317-G360 PolarHBondContact O-N 3.4Å; A317-G360 VanDerWaalsContact O-N 3.08Å; G358-G360 VanDerWaalsContact C-N 3.31Å; G360-K362 PolarHBondContact O-N 2.85Å
361S90.5Very high91Very high46 Ų4657.5 Ų57.532%0.32230%0.296SS..  trans-72.5130175.5960000109.1T363 D364 V365S361-T363 PolarHBondContact O-N 3.01Å; S361-T363 PolarHBondContact OG-OG1 3.38Å; S361-D364 PolarHBondContact O-N 3.45Å; S361-D364 VanDerWaalsContact OG-CB 3.31Å; S361-D364 WeakPolarHBondContact OG-CB 3.46Å; S361-D364 PolarHBondContact OG-N 3.47Å; S361-D364 VanDerWaalsContact OG-N 3.08Å; S361-D364 PolarHBondContact OG-OD2 2.71Å; S361-V365 PolarHBondContact O-N 3.14Å; S361-V365 VanDerWaalsContact O-N 3.07Å
362K87.8Confident91.3Very high135 Ų13552.9 Ų52.959%0.58727%0.271SS*.Hα-helixtrans-56.6-35.6179.1-174170.4-177.6166.90111.8G360 D364 V365 D366G360-K362 PolarHBondContact O-N 2.85Å; K362-D364 VanDerWaalsContact C-N 3.34Å; K362-D364 PolarHBondContact O-N 2.96Å; K362-V365 PolarHBondContact O-N 2.63Å; K362-D366 WeakPolarHBondContact O-CB 3.46Å; K362-D366 PolarHBondContact O-N 3.48Å
363T93.1Very high91.2Very high90 Ų9055.8 Ų55.855%0.55228%0.281SS*.Hα-helixtrans-62.3-37.717645.50000113.3S361 K367S361-T363 PolarHBondContact O-N 3.01Å; S361-T363 PolarHBondContact OG-OG1 3.38Å; T363-K367 WeakPolarHBondContact O-CB 3.48Å; T363-K367 WeakPolarHBondContact O-CG 3.21Å; T363-K367 PolarHBondContact O-N 3.33Å; T363-K367 VanDerWaalsContact O-N 3.08Å
364D92.6Very high91.3Very high76 Ų7662.2 Ų62.241%0.40631%0.312SS..Hα-helixtrans-78.6-34.4179.6-61.7-32.4000111.2V316 S361 K362 K367 R368V316-D364 HydrophobicContact CG1-CB 3.94Å; S361-D364 PolarHBondContact O-N 3.45Å; S361-D364 VanDerWaalsContact OG-CB 3.31Å; S361-D364 WeakPolarHBondContact OG-CB 3.46Å; S361-D364 PolarHBondContact OG-N 3.47Å; S361-D364 VanDerWaalsContact OG-N 3.08Å; S361-D364 PolarHBondContact OG-OD2 2.71Å; K362-D364 VanDerWaalsContact C-N 3.34Å; K362-D364 PolarHBondContact O-N 2.96Å; D364-K367 PolarHBondContact O-N 3.03Å; D364-K367 IonicContact OD1-NZ 3.1Å; D364-R368 WeakPolarHBondContact O-CB 3.35Å; D364-R368 PolarHBondContact O-N 3.39Å
365V90.8Very high91.2Very high26 Ų2664.4 Ų64.416%0.15832%0.322CS..Hα-helixtrans-62.3-47.6171177.30000110.7V316 S361 K362 K367 R368 I369V316-V365 HydrophobicContact CG1-CG2 4.15Å; S361-V365 PolarHBondContact O-N 3.14Å; S361-V365 VanDerWaalsContact O-N 3.07Å; K362-V365 PolarHBondContact O-N 2.63Å; V365-K367 PolarHBondContact O-N 2.68Å; V365-R368 WeakPolarHBondContact O-CB 3.35Å; V365-R368 PolarHBondContact O-N 3.24Å; V365-R368 VanDerWaalsContact O-N 3.1Å; V365-I369 HydrophobicContact CG1-CD1 3.91Å; V365-I369 HydrophobicContact CG1-CG1 4.45Å; V365-I369 WeakPolarHBondContact O-CG1 3.46Å; V365-I369 PolarHBondContact O-N 3.22Å
366D91Very high90.9Very high83 Ų8365.7 Ų65.744%0.44433%0.328SS..Hα-helixtrans-62.3-41.8178.7-72-24.2000111.7K362 R368 I369 A370K362-D366 WeakPolarHBondContact O-CB 3.46Å; K362-D366 PolarHBondContact O-N 3.48Å; D366-R368 VanDerWaalsContact C-N 3.33Å; D366-R368 PolarHBondContact O-N 3.39Å; D366-I369 PolarHBondContact O-N 2.82Å; D366-A370 WeakPolarHBondContact O-CB 3.42Å; D366-A370 PolarHBondContact O-N 3.11Å
367K94.3Very high90.9Very high137 Ų13773.3 Ų73.360%0.59636%0.364SS*.Hα-helixtrans-61-41.7172.6-76.7171.4-173169.90111.7T363 D364 V365 A370 Q371T363-K367 WeakPolarHBondContact O-CB 3.48Å; T363-K367 WeakPolarHBondContact O-CG 3.21Å; T363-K367 PolarHBondContact O-N 3.33Å; T363-K367 VanDerWaalsContact O-N 3.08Å; D364-K367 PolarHBondContact O-N 3.03Å; D364-K367 IonicContact OD1-NZ 3.1Å; V365-K367 PolarHBondContact O-N 2.68Å; K367-A370 PolarHBondContact O-N 3.17Å; K367-Q371 WeakPolarHBondContact O-CB 3.47Å; K367-Q371 PolarHBondContact O-N 3.13Å
368R92.8Very high91.1Very high7 Ų772.5 Ų72.53%0.02638%0.377CS..Hα-helixtrans-67.1-39.7178.7-171.657.1171166.44.8111.7N309 D313 V316 D364 V365 D366 Q371 I372 L395N309-R368 PolarHBondContact O-NH2 2.84Å; N309-R368 PolarHBondContact OD1-NH2 3.47Å; D313-R368 IonicContact OD1-CZ 3.08Å; D313-R368 IonicContact OD1-NE 3.15Å; D313-R368 PolarHBondContact OD1-NE 3.1Å; D313-R368 IonicContact OD1-NH2 3.27Å; D313-R368 PolarHBondContact OD1-NH2 2.93Å; V316-R368 HydrophobicContact CG1-CB 4.23Å; D364-R368 WeakPolarHBondContact O-CB 3.35Å; D364-R368 PolarHBondContact O-N 3.39Å; V365-R368 WeakPolarHBondContact O-CB 3.35Å; V365-R368 PolarHBondContact O-N 3.24Å; V365-R368 VanDerWaalsContact O-N 3.1Å; D366-R368 VanDerWaalsContact C-N 3.33Å; D366-R368 PolarHBondContact O-N 3.39Å; R368-Q371 PolarHBondContact O-N 2.99Å; R368-I372 HydrophobicContact CG-CD1 4.27Å; R368-I372 VanDerWaalsContact O-CG1 3.31Å; R368-I372 WeakPolarHBondContact O-CG1 3.24Å; R368-I372 PolarHBondContact O-N 3.44Å; R368-L395 HydrophobicContact CG-CD1 4.06Å
369I91.1Very high91Very high24 Ų2471.9 Ų71.912%0.12337%0.37CS..Hα-helixtrans-61.7-45.4173.5-69.7168.8000110.4V365 D366 I372 K373 L392 L395V365-I369 HydrophobicContact CG1-CD1 3.91Å; V365-I369 HydrophobicContact CG1-CG1 4.45Å; V365-I369 WeakPolarHBondContact O-CG1 3.46Å; V365-I369 PolarHBondContact O-N 3.22Å; D366-I369 PolarHBondContact O-N 2.82Å; I369-I372 PolarHBondContact O-N 3.04Å; I369-K373 WeakPolarHBondContact O-CG 3.06Å; I369-K373 PolarHBondContact O-N 3.34Å; I369-K373 VanDerWaalsContact O-N 3.11Å; I369-L392 HydrophobicContact CG2-CD1 4.05Å; I369-L395 HydrophobicContact CD1-CB 4.21Å; I369-L395 HydrophobicContact CG1-CB 3.91Å; I369-L395 HydrophobicContact CG1-CD1 4.35Å
370A93.2Very high90.8Very high44 Ų4471.7 Ų71.736%0.36438%0.381SS..Hα-helixtrans-61-45.3176.800000111.7D366 K367 I372 K373 E374D366-A370 WeakPolarHBondContact O-CB 3.42Å; D366-A370 PolarHBondContact O-N 3.11Å; K367-A370 PolarHBondContact O-N 3.17Å; A370-I372 PolarHBondContact O-N 3.39Å; A370-K373 WeakPolarHBondContact O-CB 3.44Å; A370-K373 PolarHBondContact O-N 3.04Å; A370-K373 VanDerWaalsContact O-N 3.16Å; A370-E374 PolarHBondContact O-N 2.85Å
371Q93.4Very high90.6Very high73 Ų7372.7 Ų72.734%0.34139%0.385SS..Hα-helixtrans-57.2-46.2176-176.7-1762.600112.1K367 R368 K373 E374 E375K367-Q371 WeakPolarHBondContact O-CB 3.47Å; K367-Q371 PolarHBondContact O-N 3.13Å; R368-Q371 PolarHBondContact O-N 2.99Å; Q371-K373 VanDerWaalsContact C-N 3.3Å; Q371-K373 PolarHBondContact O-N 3.49Å; Q371-E374 PolarHBondContact O-N 3.35Å; Q371-E375 HydrophobicContact CG-CG 4.42Å; Q371-E375 WeakPolarHBondContact CG-OE1 3.41Å; Q371-E375 PolarHBondContact NE2-OE1 3.08Å; Q371-E375 WeakPolarHBondContact O-CB 3.35Å; Q371-E375 WeakPolarHBondContact O-CG 3.46Å; Q371-E375 PolarHBondContact O-N 3.12Å
372I92.3Very high90Very high0 Ų078.7 Ų78.70%041%0.408CS..Hα-helixtrans-63.7-37.1179.4-67.4165.2000111.1R368 I369 A370 M376 M388 R391 L392 L395R368-I372 HydrophobicContact CG-CD1 4.27Å; R368-I372 VanDerWaalsContact O-CG1 3.31Å; R368-I372 WeakPolarHBondContact O-CG1 3.24Å; R368-I372 PolarHBondContact O-N 3.44Å; I369-I372 PolarHBondContact O-N 3.04Å; A370-I372 PolarHBondContact O-N 3.39Å; I372-M376 VanDerWaalsContact O-CB 3.23Å; I372-M376 WeakPolarHBondContact O-CB 3.11Å; I372-M376 PolarHBondContact O-N 3.33Å; I372-M388 HydrophobicContact CG2-CB 4.04Å; I372-M388 HydrophobicContact CG2-CG 4.49Å; I372-R391 HydrophobicContact CD1-CB 4.46Å; I372-L392 HydrophobicContact CB-CD1 4.33Å; I372-L392 HydrophobicContact CG2-CB 4.12Å; I372-L392 HydrophobicContact CG2-CD1 4.04Å; I372-L395 HydrophobicContact CD1-CD1 3.6Å
373K89.9Confident89.6Confident103 Ų10379.6 Ų79.645%0.44841%0.408SS..Hα-helixtrans-64.6-44.8176.1-70.3179.5180-177.80111.9I369 A370 Q371 M376 E377 L392I369-K373 WeakPolarHBondContact O-CG 3.06Å; I369-K373 PolarHBondContact O-N 3.34Å; I369-K373 VanDerWaalsContact O-N 3.11Å; A370-K373 WeakPolarHBondContact O-CB 3.44Å; A370-K373 PolarHBondContact O-N 3.04Å; A370-K373 VanDerWaalsContact O-N 3.16Å; Q371-K373 VanDerWaalsContact C-N 3.3Å; Q371-K373 PolarHBondContact O-N 3.49Å; K373-M376 PolarHBondContact O-N 2.92Å; K373-E377 PolarHBondContact O-N 3.35Å; K373-L392 HydrophobicContact CD-CD1 4.31Å; K373-L392 HydrophobicContact CG-CD1 3.51Å
374E93.3Very high89.2Confident135 Ų13580 Ų8063%0.63140%0.404SS*.Hα-helixtrans-63.6-44.3176.8-70175.7-172.600111.7A370 Q371 M376 E377 A378A370-E374 PolarHBondContact O-N 2.85Å; Q371-E374 PolarHBondContact O-N 3.35Å; E374-M376 VanDerWaalsContact C-N 3.26Å; E374-M376 PolarHBondContact O-N 3.32Å; E374-E377 PolarHBondContact O-N 2.79Å; E374-A378 WeakPolarHBondContact O-CB 3.41Å; E374-A378 PolarHBondContact O-N 3.36Å
375E90.7Very high88.7Confident60 Ų6079.8 Ų79.828%0.2840%0.4SS..Hα-helixtrans-59.7-37.6175.4-73.8173-173.100111.8Q371 A378 S379 M388Q371-E375 HydrophobicContact CG-CG 4.42Å; Q371-E375 WeakPolarHBondContact CG-OE1 3.41Å; Q371-E375 PolarHBondContact NE2-OE1 3.08Å; Q371-E375 WeakPolarHBondContact O-CB 3.35Å; Q371-E375 WeakPolarHBondContact O-CG 3.46Å; Q371-E375 PolarHBondContact O-N 3.12Å; E375-A378 PolarHBondContact O-N 3.42Å; E375-S379 PolarHBondContact O-N 2.72Å; E375-M388 VanDerWaalsContact C-SD 3.57Å; E375-M388 HydrophobicContact CB-CE 4.5Å; E375-M388 HydrophobicContact CB-SD 3.61Å
376M86.8Confident88Confident29 Ų2983.9 Ų83.914%0.14342%0.417CS..Hα-helixtrans-71.7-37.2179.9-172.8175.671.600112.7I372 K373 E374 A378 K385 M388 H389I372-M376 VanDerWaalsContact O-CB 3.23Å; I372-M376 WeakPolarHBondContact O-CB 3.11Å; I372-M376 PolarHBondContact O-N 3.33Å; K373-M376 PolarHBondContact O-N 2.92Å; E374-M376 VanDerWaalsContact C-N 3.26Å; E374-M376 PolarHBondContact O-N 3.32Å; M376-A378 VanDerWaalsContact C-N 3.34Å; M376-K385 HydrophobicContact CG-CB 4.28Å; M376-K385 HydrophobicContact CG-CG 4.08Å; M376-K385 VanDerWaalsContact O-CE 3.25Å; M376-K385 WeakPolarHBondContact O-CE 3.43Å; M376-M388 HydrophobicContact CB-CB 4.24Å; M376-M388 HydrophobicContact CB-SD 3.96Å; M376-M388 HydrophobicContact CG-CB 4.32Å; M376-M388 PolarHBondContact N-SD 2.92Å; M376-M388 VanDerWaalsContact N-SD 3.44Å; M376-M388 HydrophobicContact SD-CB 4.39Å; M376-H389 VanDerWaalsContact SD-CD2 3.56Å; M376-H389 PolarHBondContact SD-CE1 2.68Å; M376-H389 PolarHBondContact SD-ND1 2.94Å; M376-H389 PolarHBondContact SD-NE2 2.79Å
377E88.7Confident87.6Confident161 Ų16182.1 Ų82.175%0.75241%0.405SS*.Hα-helixtrans-67.9-35.3172.8-72.8180-176.200111.9K373 E374K373-E377 PolarHBondContact O-N 3.35Å; E374-E377 PolarHBondContact O-N 2.79Å
378A91.4Very high87.3Confident79 Ų7976.4 Ų76.465%0.65338%0.381SS*.Hα-helixtrans-78.9-22.7-179.800000114.1E374 E375 M376E374-A378 WeakPolarHBondContact O-CB 3.41Å; E374-A378 PolarHBondContact O-N 3.36Å; E375-A378 PolarHBondContact O-N 3.42Å; M376-A378 VanDerWaalsContact C-N 3.34Å
379S87Confident86.8Confident11 Ų1180.7 Ų80.78%0.07740%0.401CS..  trans-74141.3-179.8-1780000111.9E375 S381 E384 K385E375-S379 PolarHBondContact O-N 2.72Å; S379-S381 PolarHBondContact OG-N 3.08Å; S379-E384 PolarHBondContact OG-OE2 3.33Å; S379-K385 WeakPolarHBondContact O-CE 3.26Å; S379-K385 PolarHBondContact O-NZ 3.35Å
380N87Confident86.2Confident165 Ų16582.8 Ų82.888%0.88241%0.411SS*.  trans-100.5-0.5172.8-67.3-42000112.6
381S84.3Confident85.9Confident42 Ų4281.3 Ų81.329%0.29440%0.395SS..  trans-99.8118.1-176.4175.90000110.5S379 Y383 E384 K385S379-S381 PolarHBondContact OG-N 3.08Å; S381-Y383 PolarHBondContact O-N 3.05Å; S381-E384 PolarHBondContact O-N 3.44Å; S381-E384 PolarHBondContact OG-N 3.46Å; S381-K385 WeakPolarHBondContact O-CG 3.4Å; S381-K385 PolarHBondContact O-N 3.37Å
382E78.8Confident85.6Confident172 Ų17279 Ų7980%0.80439%0.386SS*.Hα-helixtrans-58.2-38.9175-68.6-173.9162.900112E384 K385 E386E382-E384 PolarHBondContact O-N 3.48Å; E382-K385 PolarHBondContact O-N 3.22Å; E382-E386 PolarHBondContact O-N 3.1Å
383Y79.2Confident85.1Confident154 Ų15480.7 Ų80.760%0.60440%0.399SS*.Hα-helixtrans-60.4-42.1176.3175.2-97.6000112.5S381 K387S381-Y383 PolarHBondContact O-N 3.05Å; Y383-K387 HydrophobicContact CE1-CG 4.41Å; Y383-K387 WeakPolarHBondContact O-CG 3.45Å; Y383-K387 PolarHBondContact O-N 3.07Å
384E85.2Confident84.7Confident99 Ų9978.6 Ų78.646%0.46339%0.39SS..Hα-helixtrans-70.7-39177.9-69.7-179.5175.300111.6S379 S381 E382 E386 K387 M388S379-E384 PolarHBondContact OG-OE2 3.33Å; S381-E384 PolarHBondContact O-N 3.44Å; S381-E384 PolarHBondContact OG-N 3.46Å; E382-E384 PolarHBondContact O-N 3.48Å; E384-E386 VanDerWaalsContact C-N 3.34Å; E384-E386 PolarHBondContact O-N 3.5Å; E384-K387 PolarHBondContact O-N 2.96Å; E384-M388 HydrophobicContact CB-CE 3.8Å; E384-M388 WeakPolarHBondContact O-CB 3.28Å; E384-M388 WeakPolarHBondContact O-CG 3.41Å; E384-M388 PolarHBondContact O-N 3.49Å
385K81.2Confident84.2Confident72 Ų7273.3 Ų73.331%0.31337%0.366SS..Hα-helixtrans-60.6-44.3175.8-70.6-176.3-173.8-171.80111.6M376 S379 S381 E382 K387 M388 H389M376-K385 HydrophobicContact CG-CB 4.28Å; M376-K385 HydrophobicContact CG-CG 4.08Å; M376-K385 VanDerWaalsContact O-CE 3.25Å; M376-K385 WeakPolarHBondContact O-CE 3.43Å; S379-K385 WeakPolarHBondContact O-CE 3.26Å; S379-K385 PolarHBondContact O-NZ 3.35Å; S381-K385 WeakPolarHBondContact O-CG 3.4Å; S381-K385 PolarHBondContact O-N 3.37Å; E382-K385 PolarHBondContact O-N 3.22Å; K385-K387 VanDerWaalsContact C-N 3.35Å; K385-K387 PolarHBondContact O-N 2.85Å; K385-M388 PolarHBondContact O-N 2.86Å; K385-H389 WeakPolarHBondContact O-CB 3.43Å; K385-H389 PolarHBondContact O-CD2 3.04Å; K385-H389 PolarHBondContact O-N 3.27Å
386E75.5Confident83.7Confident111 Ų11173.1 Ų73.152%0.51937%0.371SS..Hα-helixtrans-57.4-47.5175.3-171.2-172.9165.500111.1E382 E384 M388 H389 E390E382-E386 PolarHBondContact O-N 3.1Å; E384-E386 VanDerWaalsContact C-N 3.34Å; E384-E386 PolarHBondContact O-N 3.5Å; E386-M388 PolarHBondContact O-N 2.88Å; E386-H389 WeakPolarHBondContact O-CB 3.36Å; E386-H389 PolarHBondContact O-N 3.22Å; E386-E390 PolarHBondContact O-N 3.02Å
387K83.7Confident82.8Confident46 Ų4675.3 Ų75.320%0.238%0.383CS..Hα-helixtrans-66.9-34177.6-64.3-62.1163.7-151.50113.5Y383 E384 K385 E390 R391Y383-K387 HydrophobicContact CE1-CG 4.41Å; Y383-K387 WeakPolarHBondContact O-CG 3.45Å; Y383-K387 PolarHBondContact O-N 3.07Å; E384-K387 PolarHBondContact O-N 2.96Å; K385-K387 VanDerWaalsContact C-N 3.35Å; K385-K387 PolarHBondContact O-N 2.85Å; K387-E390 IonicContact NZ-OE1 3.06Å; K387-E390 PolarHBondContact NZ-OE1 3.49Å; K387-E390 IonicContact NZ-OE2 2.68Å; K387-E390 PolarHBondContact NZ-OE2 3.15Å; K387-R391 VanDerWaalsContact O-CG 3.29Å; K387-R391 WeakPolarHBondContact O-CG 3.45Å; K387-R391 PolarHBondContact O-N 2.81Å
388M87.9Confident82.1Confident17 Ų1768.5 Ų68.58%0.08436%0.357CS..Hα-helixtrans-68.8-38.5172.5-72.8-172.1-117.100112I372 E375 M376 E384 K385 E386 R391 L392I372-M388 HydrophobicContact CG2-CB 4.04Å; I372-M388 HydrophobicContact CG2-CG 4.49Å; E375-M388 VanDerWaalsContact C-SD 3.57Å; E375-M388 HydrophobicContact CB-CE 4.5Å; E375-M388 HydrophobicContact CB-SD 3.61Å; M376-M388 HydrophobicContact CB-CB 4.24Å; M376-M388 HydrophobicContact CB-SD 3.96Å; M376-M388 HydrophobicContact CG-CB 4.32Å; M376-M388 PolarHBondContact N-SD 2.92Å; M376-M388 VanDerWaalsContact N-SD 3.44Å; M376-M388 HydrophobicContact SD-CB 4.39Å; E384-M388 HydrophobicContact CB-CE 3.8Å; E384-M388 WeakPolarHBondContact O-CB 3.28Å; E384-M388 WeakPolarHBondContact O-CG 3.41Å; E384-M388 PolarHBondContact O-N 3.49Å; K385-M388 PolarHBondContact O-N 2.86Å; E386-M388 PolarHBondContact O-N 2.88Å; M388-R391 PolarHBondContact O-N 2.9Å; M388-L392 VanDerWaalsContact O-CB 3.3Å; M388-L392 WeakPolarHBondContact O-CB 3.14Å; M388-L392 PolarHBondContact O-N 2.7Å
389H81.6Confident81.6Confident98 Ų9864.9 Ų64.945%0.45433%0.326SS..Hα-helixtrans-60.9-44.4173-83.8-63.4000112.1M376 K385 E386 R391 L392 A393M376-H389 VanDerWaalsContact SD-CD2 3.56Å; M376-H389 PolarHBondContact SD-CE1 2.68Å; M376-H389 PolarHBondContact SD-ND1 2.94Å; M376-H389 PolarHBondContact SD-NE2 2.79Å; K385-H389 WeakPolarHBondContact O-CB 3.43Å; K385-H389 PolarHBondContact O-CD2 3.04Å; K385-H389 PolarHBondContact O-N 3.27Å; E386-H389 WeakPolarHBondContact O-CB 3.36Å; E386-H389 PolarHBondContact O-N 3.22Å; H389-R391 VanDerWaalsContact C-N 3.34Å; H389-R391 PolarHBondContact O-N 3.28Å; H389-L392 PolarHBondContact O-N 3.28Å; H389-A393 WeakPolarHBondContact O-CB 3.48Å; H389-A393 PolarHBondContact O-N 2.64Å
390E79.7Confident81.6Confident68 Ų6864.3 Ų64.332%0.31832%0.323SS..Hα-helixtrans-58-45.5174.8-73.2175.7-163.300111.9E386 K387 K394E386-E390 PolarHBondContact O-N 3.02Å; K387-E390 IonicContact NZ-OE1 3.06Å; K387-E390 PolarHBondContact NZ-OE1 3.49Å; K387-E390 IonicContact NZ-OE2 2.68Å; K387-E390 PolarHBondContact NZ-OE2 3.15Å; E390-K394 VanDerWaalsContact O-CG 3.32Å; E390-K394 WeakPolarHBondContact O-CG 3.17Å; E390-K394 PolarHBondContact O-N 3.27Å; E390-K394 VanDerWaalsContact O-N 3.15Å
391R87.2Confident81.6Confident12 Ų1256.5 Ų56.55%0.04528%0.281CS..Hα-helixtrans-66.1-43.4178.8-71168.558.2-140.5-13.2111.7D313 I372 K387 M388 H389 K394 L395D313-R391 IonicContact OD1-NH2 3.35Å; D313-R391 PolarHBondContact OD1-NH2 2.69Å; D313-R391 IonicContact OD2-CZ 3.9Å; D313-R391 VanDerWaalsContact OD2-CZ 3.26Å; D313-R391 IonicContact OD2-NE 2.68Å; D313-R391 PolarHBondContact OD2-NE 3.45Å; D313-R391 IonicContact OD2-NH2 2.76Å; D313-R391 PolarHBondContact OD2-NH2 3.42Å; I372-R391 HydrophobicContact CD1-CB 4.46Å; K387-R391 VanDerWaalsContact O-CG 3.29Å; K387-R391 WeakPolarHBondContact O-CG 3.45Å; K387-R391 PolarHBondContact O-N 2.81Å; M388-R391 PolarHBondContact O-N 2.9Å; H389-R391 VanDerWaalsContact C-N 3.34Å; H389-R391 PolarHBondContact O-N 3.28Å; R391-K394 PolarHBondContact O-N 3.02Å; R391-L395 PolarHBondContact O-N 2.78Å
392L86.6Confident81.8Confident26 Ų2654.6 Ų54.614%0.13627%0.267CS..Hα-helixtrans-59-49.4176.3-172.5108.7000110.7I369 I372 K373 M388 H389 K394 L395 S396I369-L392 HydrophobicContact CG2-CD1 4.05Å; I372-L392 HydrophobicContact CB-CD1 4.33Å; I372-L392 HydrophobicContact CG2-CB 4.12Å; I372-L392 HydrophobicContact CG2-CD1 4.04Å; K373-L392 HydrophobicContact CD-CD1 4.31Å; K373-L392 HydrophobicContact CG-CD1 3.51Å; M388-L392 VanDerWaalsContact O-CB 3.3Å; M388-L392 WeakPolarHBondContact O-CB 3.14Å; M388-L392 PolarHBondContact O-N 2.7Å; H389-L392 PolarHBondContact O-N 3.28Å; L392-K394 VanDerWaalsContact C-N 3.29Å; L392-K394 PolarHBondContact O-N 2.75Å; L392-L395 PolarHBondContact O-N 3.39Å; L392-S396 WeakPolarHBondContact O-CB 3.5Å; L392-S396 PolarHBondContact O-N 3.48Å; L392-S396 PolarHBondContact O-OG 3.16Å
393A80.6Confident82.3Confident34 Ų3449 Ų4928%0.28124%0.24SC..Hα-helixtrans-58.9-40.6179.700000112.1H389 L395 S396 N397H389-A393 WeakPolarHBondContact O-CB 3.48Å; H389-A393 PolarHBondContact O-N 2.64Å; A393-L395 VanDerWaalsContact C-N 3.28Å; A393-L395 PolarHBondContact O-N 3.11Å; A393-S396 PolarHBondContact O-N 2.95Å; A393-N397 WeakPolarHBondContact O-CB 3.31Å; A393-N397 PolarHBondContact O-N 3.2Å
394K82.4Confident82.9Confident60 Ų6041.6 Ų41.626%0.26121%0.211SC..Hα-helixtrans-65.3-28.6176.6-73.4168.8-179.4170.30113.4K216 E390 R391 L392K216-K394 VanDerWaalsContact O-CE 3.32Å; K216-K394 WeakPolarHBondContact O-CE 3.43Å; E390-K394 VanDerWaalsContact O-CG 3.32Å; E390-K394 WeakPolarHBondContact O-CG 3.17Å; E390-K394 PolarHBondContact O-N 3.27Å; E390-K394 VanDerWaalsContact O-N 3.15Å; R391-K394 PolarHBondContact O-N 3.02Å; L392-K394 VanDerWaalsContact C-N 3.29Å; L392-K394 PolarHBondContact O-N 2.75Å
395L83.8Confident83.2Confident24 Ų2436.9 Ų36.913%0.12619%0.189CC..Hα-helixtrans-87.3-32.7175.5-70.4173.6000112.6M215 D313 A317 R368 I369 I372 R391 L392 A393M215-L395 HydrophobicContact CE-CD2 4.23Å; D313-L395 HydrophobicContact CB-CD1 4.12Å; D313-L395 HydrophobicContact CB-CD2 4.28Å; D313-L395 HydrophobicContact CB-CG 4.45Å; A317-L395 HydrophobicContact CB-CD2 4.1Å; R368-L395 HydrophobicContact CG-CD1 4.06Å; I369-L395 HydrophobicContact CD1-CB 4.21Å; I369-L395 HydrophobicContact CG1-CB 3.91Å; I369-L395 HydrophobicContact CG1-CD1 4.35Å; I372-L395 HydrophobicContact CD1-CD1 3.6Å; R391-L395 PolarHBondContact O-N 2.78Å; L392-L395 PolarHBondContact O-N 3.39Å; A393-L395 VanDerWaalsContact C-N 3.28Å; A393-L395 PolarHBondContact O-N 3.11Å
396S78.3Confident83.6Confident56 Ų5634.2 Ų34.239%0.39218%0.182SC..Hα-helixtrans-94.3-40.6-171.9650000114.8L392 A393 G398L392-S396 WeakPolarHBondContact O-CB 3.5Å; L392-S396 PolarHBondContact O-N 3.48Å; L392-S396 PolarHBondContact O-OG 3.16Å; A393-S396 PolarHBondContact O-N 2.95Å; S396-G398 PolarHBondContact O-N 3.38Å
397N69.1Low84.3Confident74 Ų7433.5 Ų33.540%0.39619%0.189SC..SBendtrans-89.9-5-162.9-64.8-3.8000113.8A393A393-N397 WeakPolarHBondContact O-CB 3.31Å; A393-N397 PolarHBondContact O-N 3.2Å
398G74.1Confident84.6Confident19 Ų1934 Ų3420%0.19620%0.199CC..  trans57.5-162.1178.700000113.6I212 S396I212-G398 CarbonylContact O-C 3.59Å; I212-G398 WeakPolarHBondContact O-CA 3.39Å; S396-G398 PolarHBondContact O-N 3.38Å
399V81.4Confident84.4Confident2 Ų239.9 Ų39.91%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-130.7125.5-176.8178.60000107.9T196 T198 I212 G214 L354 V401T196-V399 HydrophobicContact CG2-CG1 4.07Å; T196-V399 HydrophobicContact CG2-CG2 4.36Å; T196-V399 WeakPolarHBondContact O-CA 3.31Å; T198-V399 HydrophobicContact CG2-CG1 3.85Å; I212-V399 PolarHBondContact N-O 2.88Å; I212-V399 PolarHBondContact O-N 2.8Å; I212-V399 VanDerWaalsContact O-O 3.14Å; G214-V399 VanDerWaalsContact C-CG2 3.48Å; L354-V399 HydrophobicContact CD1-CG1 4.18Å; L354-V399 HydrophobicContact CD1-CG2 3.86Å; L354-V399 HydrophobicContact CD2-CG1 4.38Å; V399-V401 HydrophobicContact CG1-CG2 4.19Å
400A86.8Confident84.6Confident0 Ų037 Ų370%022%0.216CC..EExtended strand (participates in β ladder)trans-85.2128.1168.100000109.5A187 V191 T196 I197 T198 L209 F211A187-A400 HydrophobicContact CB-CB 4.06Å; V191-A400 HydrophobicContact CG1-CB 3.63Å; V191-A400 HydrophobicContact CG2-CB 4.49Å; T196-A400 PolarHBondContact O-N 3.35Å; I197-A400 CarbonylContact C-O 3.38Å; I197-A400 WeakPolarHBondContact CA-O 3.15Å; I197-A400 HydrophobicContact CG1-CB 4.18Å; I197-A400 HydrophobicContact CG2-CB 4.28Å; T198-A400 PolarHBondContact N-O 3.36Å; L209-A400 HydrophobicContact CD1-CB 4.16Å; F211-A400 HydrophobicContact CD1-CB 4.12Å; F211-A400 HydrophobicContact CE1-CB 3.83Å
401V86.1Confident85.1Confident1 Ų137.8 Ų37.81%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-113.3113.2177-176.20000108.6T198 K200 E210 I212 M356 V399 K403T198-V401 HydrophobicContact CG2-CB 4.07Å; T198-V401 HydrophobicContact CG2-CG1 4.11Å; T198-V401 HydrophobicContact CG2-CG2 3.56Å; T198-V401 CarbonylContact O-C 3.57Å; T198-V401 WeakPolarHBondContact O-CA 3.32Å; K200-V401 HydrophobicContact CB-CG1 4.44Å; K200-V401 HydrophobicContact CD-CG1 3.75Å; K200-V401 HydrophobicContact CG-CG1 4.07Å; E210-V401 HydrophobicContact CB-CB 4.49Å; E210-V401 PolarHBondContact N-O 2.6Å; E210-V401 PolarHBondContact O-N 3.04Å; I212-V401 HydrophobicContact CB-CG2 4.44Å; I212-V401 HydrophobicContact CD1-CB 4.09Å; I212-V401 HydrophobicContact CD1-CG2 3.46Å; I212-V401 VanDerWaalsContact CD1-CG2 3.46Å; I212-V401 HydrophobicContact CG1-CG2 4.43Å; M356-V401 HydrophobicContact SD-CG2 4.03Å; V399-V401 HydrophobicContact CG1-CG2 4.19Å; V401-K403 HydrophobicContact CG1-CG 4.36Å
402I89.8Confident85.2Confident1 Ų137.8 Ų37.81%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-88.5117.2170.5-61.7173.4000107.6I184 I197 T198 V199 K200 E208 L209 V404 Y419 L423I184-I402 HydrophobicContact CG1-CD1 4.12Å; I197-I402 HydrophobicContact CG2-CD1 3.85Å; I197-I402 HydrophobicContact CG2-CG1 4.19Å; T198-I402 PolarHBondContact O-N 3.39Å; V199-I402 CarbonylContact C-O 3.54Å; V199-I402 WeakPolarHBondContact CA-O 3.32Å; K200-I402 PolarHBondContact N-O 2.96Å; E208-I402 WeakPolarHBondContact O-CA 3.49Å; L209-I402 HydrophobicContact CD1-CG1 3.87Å; I402-V404 HydrophobicContact CG2-CG2 4.46Å; I402-Y419 HydrophobicContact CD1-CD1 4.13Å; I402-Y419 HydrophobicContact CD1-CE1 4.27Å; I402-Y419 HydrophobicContact CG2-CD1 3.85Å; I402-Y419 HydrophobicContact CG2-CE1 3.61Å; I402-Y419 HydrophobicContact CG2-CE2 4.38Å; I402-Y419 HydrophobicContact CG2-CG 4.34Å; I402-L423 HydrophobicContact CD1-CD1 4.4Å
403K88.6Confident85Confident54 Ų5437.8 Ų37.824%0.23522%0.223CC..EExtended strand (participates in β ladder)trans-96.8115.6172.1-61.1177.2-169.2158.60108.5K200 D207 E208 E210 V401 G405K200-K403 CarbonylContact O-C 3.48Å; K200-K403 WeakPolarHBondContact O-CA 3.18Å; D207-K403 VanDerWaalsContact CA-O 3.3Å; D207-K403 WeakPolarHBondContact CA-O 3.3Å; E208-K403 HydrophobicContact CB-CB 4.23Å; E208-K403 HydrophobicContact CB-CD 4.46Å; E208-K403 PolarHBondContact N-O 2.96Å; E208-K403 PolarHBondContact O-N 3.39Å; E208-K403 IonicContact OE2-NZ 2.93Å; E210-K403 WeakPolarHBondContact OE2-CE 3.46Å; E210-K403 IonicContact OE2-NZ 3.42Å; E210-K403 PolarHBondContact OE2-NZ 2.91Å; V401-K403 HydrophobicContact CG1-CG 4.36Å; K403-G405 PolarHBondContact O-N 3.47Å
404V91Very high85.4Confident0 Ų037.5 Ų37.50%022%0.216CC..EExtended strand (participates in β ladder)trans-82.9113.3-176-176.40000109.4V199 K200 G202 I402 V412 K415 K416 Y419V199-V404 HydrophobicContact CG1-CG2 3.33Å; K200-V404 PolarHBondContact O-N 2.88Å; G202-V404 WeakPolarHBondContact CA-O 3.42Å; G202-V404 PolarHBondContact N-O 3.45Å; I402-V404 HydrophobicContact CG2-CG2 4.46Å; V404-V412 HydrophobicContact CB-CG1 4.38Å; V404-V412 HydrophobicContact CG1-CG1 4.33Å; V404-K415 HydrophobicContact CG1-CB 3.71Å; V404-K415 HydrophobicContact CG1-CD 3.73Å; V404-K415 HydrophobicContact CG1-CG 3.62Å; V404-K416 HydrophobicContact CG2-CB 4.27Å; V404-Y419 HydrophobicContact CB-CD2 4.36Å; V404-Y419 HydrophobicContact CB-CE2 4.44Å; V404-Y419 HydrophobicContact CG1-CD2 4.05Å; V404-Y419 HydrophobicContact CG1-CE2 4.07Å; V404-Y419 HydrophobicContact CG2-CD2 3.46Å; V404-Y419 VanDerWaalsContact CG2-CD2 3.46Å; V404-Y419 HydrophobicContact CG2-CE2 3.85Å; V404-Y419 HydrophobicContact CG2-CG 4.17Å
405G91.1Very high85.8Confident0 Ų036 Ų360%021%0.209CC..  trans-80.6161.4175.200000112.2T204 D207 K403T204-G405 WeakPolarHBondContact O-CA 3.44Å; D207-G405 PolarHBondContact OD1-N 2.83Å; K403-G405 PolarHBondContact O-N 3.47Å
406G90.3Very high85.9Confident16 Ų1636.2 Ų36.217%0.16521%0.209CC..  trans174.5165175.600000112.6T204T204-G406 PolarHBondContact O-N 2.92Å
407S91.4Very high86.3Confident95 Ų9535 Ų3566%0.66420%0.198SC*.SBendtrans-85.4-21.2-177.969.40000113.5E411S407-E411 WeakPolarHBondContact CB-OE2 3.42Å; S407-E411 PolarHBondContact N-OE2 2.75Å; S407-E411 PolarHBondContact OG-OE2 3.39Å
408S89.1Confident87.2Confident57 Ų5733.3 Ų33.340%0.39919%0.186SC..SBendtrans-143.7156.6-179.169.80000111.7V410 E411 V412S408-V410 PolarHBondContact O-N 2.9Å; S408-E411 PolarHBondContact O-N 3.05Å; S408-E411 WeakPolarHBondContact OG-CB 3.34Å; S408-E411 PolarHBondContact OG-N 2.92Å; S408-V412 WeakPolarHBondContact O-CG2 3.38Å; S408-V412 PolarHBondContact O-N 3.17Å
409E83.7Confident88Confident140 Ų14032.4 Ų32.465%0.65418%0.177SC*.Hα-helixtrans-59.6-32.3177.4-70.6-167.4-157.500113.6K231 S413K231-E409 IonicContact NZ-OE2 3.92Å; K231-E409 PolarHBondContact NZ-OE2 2.81Å; E409-S413 VanDerWaalsContact O-CB 3.29Å; E409-S413 WeakPolarHBondContact O-CB 3.2Å; E409-S413 PolarHBondContact O-N 2.92Å
410V86.7Confident88.2Confident39 Ų3934.8 Ų34.824%0.23619%0.191CC..Hα-helixtrans-70.4-42.5179.7-179.10000110I71 S408 S413 E414I71-V410 HydrophobicContact CB-CG1 3.91Å; I71-V410 HydrophobicContact CD1-CG1 3.87Å; I71-V410 HydrophobicContact CG1-CG1 3.74Å; S408-V410 PolarHBondContact O-N 2.9Å; V410-S413 PolarHBondContact O-N 3.37Å; V410-E414 PolarHBondContact O-N 3.18Å
411E88.9Confident88.2Confident83 Ų8336 Ų3639%0.38820%0.198SC..Hα-helixtrans-63.7-47.4175-176.2-174.1-175.400111.5S407 S408 S413 E414 K415S407-E411 WeakPolarHBondContact CB-OE2 3.42Å; S407-E411 PolarHBondContact N-OE2 2.75Å; S407-E411 PolarHBondContact OG-OE2 3.39Å; S408-E411 PolarHBondContact O-N 3.05Å; S408-E411 WeakPolarHBondContact OG-CB 3.34Å; S408-E411 PolarHBondContact OG-N 2.92Å; E411-S413 VanDerWaalsContact C-N 3.27Å; E411-S413 PolarHBondContact O-N 2.96Å; E411-E414 PolarHBondContact O-N 2.98Å; E411-K415 VanDerWaalsContact O-CB 3.3Å; E411-K415 WeakPolarHBondContact O-CB 3.36Å; E411-K415 PolarHBondContact O-N 3.26Å
412V89.4Confident88.5Confident13 Ų1336 Ų368%0.07920%0.198CC..Hα-helixtrans-60-40.8177.2174.30000110.6D201 V404 S408 K416D201-V412 HydrophobicContact CB-CG1 4.07Å; V404-V412 HydrophobicContact CB-CG1 4.38Å; V404-V412 HydrophobicContact CG1-CG1 4.33Å; S408-V412 WeakPolarHBondContact O-CG2 3.38Å; S408-V412 PolarHBondContact O-N 3.17Å; V412-K416 WeakPolarHBondContact O-CB 3.48Å; V412-K416 PolarHBondContact O-N 3.4Å
413S82.7Confident88.4Confident26 Ų2636.2 Ų36.218%0.18220%0.199CC..Hα-helixtrans-65.4-43.7178-172.40000112.6E409 V410 E411 D417E409-S413 VanDerWaalsContact O-CB 3.29Å; E409-S413 WeakPolarHBondContact O-CB 3.2Å; E409-S413 PolarHBondContact O-N 2.92Å; V410-S413 PolarHBondContact O-N 3.37Å; E411-S413 VanDerWaalsContact C-N 3.27Å; E411-S413 PolarHBondContact O-N 2.96Å; S413-D417 PolarHBondContact O-N 3.23Å; S413-D417 VanDerWaalsContact O-N 3.16Å
414E89Confident88.3Confident28 Ų2835.8 Ų35.813%0.13120%0.199CC..Hα-helixtrans-64.6-45.8177.2-172.8-77.5159.900110.9V410 E411 K416 D417 R418V410-E414 PolarHBondContact O-N 3.18Å; E411-E414 PolarHBondContact O-N 2.98Å; E414-K416 VanDerWaalsContact C-N 3.3Å; E414-K416 PolarHBondContact O-N 2.97Å; E414-D417 WeakPolarHBondContact O-CB 3.27Å; E414-D417 PolarHBondContact O-N 3.44Å; E414-R418 PolarHBondContact O-N 3.4Å; E414-R418 VanDerWaalsContact O-N 3.14Å; E414-R418 WeakPolarHBondContact OE1-CD 3.43Å; E414-R418 IonicContact OE1-NE 3.51Å; E414-R418 PolarHBondContact OE1-NE 3.23Å; E414-R418 IonicContact OE2-CZ 3.48Å; E414-R418 IonicContact OE2-NE 2.64Å; E414-R418 PolarHBondContact OE2-NE 3.04Å; E414-R418 IonicContact OE2-NH2 3.92Å; E414-R418 PolarHBondContact OE2-NH2 3.26Å
415K90.4Very high88.3Confident29 Ų2935.8 Ų35.813%0.12620%0.199CC..Hα-helixtrans-65.8-35.7-179.2-169.8174.4-172.8-166.10111.8I180 D207 V404 E411 R418 Y419I180-K415 HydrophobicContact CD1-CG 4.22Å; D207-K415 WeakPolarHBondContact OD1-CE 3.49Å; D207-K415 IonicContact OD1-NZ 3.8Å; D207-K415 PolarHBondContact OD1-NZ 3.28Å; D207-K415 WeakPolarHBondContact OD2-CE 3.05Å; D207-K415 IonicContact OD2-NZ 2.98Å; D207-K415 PolarHBondContact OD2-NZ 3.27Å; V404-K415 HydrophobicContact CG1-CB 3.71Å; V404-K415 HydrophobicContact CG1-CD 3.73Å; V404-K415 HydrophobicContact CG1-CG 3.62Å; E411-K415 VanDerWaalsContact O-CB 3.3Å; E411-K415 WeakPolarHBondContact O-CB 3.36Å; E411-K415 PolarHBondContact O-N 3.26Å; K415-R418 WeakPolarHBondContact O-CB 3.36Å; K415-R418 PolarHBondContact O-N 2.95Å; K415-Y419 HydrophobicContact CD-CE2 4.43Å; K415-Y419 HydrophobicContact CG-CD2 4.13Å; K415-Y419 HydrophobicContact CG-CE2 4.04Å; K415-Y419 VanDerWaalsContact O-CD2 3.31Å; K415-Y419 WeakPolarHBondContact O-CD2 3.23Å; K415-Y419 PolarHBondContact O-N 2.85Å
416K86.8Confident88.3Confident27 Ų2735.8 Ų35.812%0.11720%0.199CC..Hα-helixtrans-64.6-40.1174178.3177-175.6179.10112.6V199 D201 V404 V412 E414 R418 Y419 T420V199-K416 HydrophobicContact CG1-CG 3.89Å; D201-K416 VanDerWaalsContact OD1-CD 3.23Å; D201-K416 WeakPolarHBondContact OD1-CD 3.25Å; D201-K416 WeakPolarHBondContact OD1-CE 3.05Å; D201-K416 IonicContact OD1-NZ 2.68Å; D201-K416 PolarHBondContact OD1-NZ 3.4Å; V404-K416 HydrophobicContact CG2-CB 4.27Å; V412-K416 WeakPolarHBondContact O-CB 3.48Å; V412-K416 PolarHBondContact O-N 3.4Å; E414-K416 VanDerWaalsContact C-N 3.3Å; E414-K416 PolarHBondContact O-N 2.97Å; K416-R418 VanDerWaalsContact C-N 3.32Å; K416-Y419 PolarHBondContact O-N 2.93Å; K416-T420 PolarHBondContact O-N 3.05Å; K416-T420 PolarHBondContact O-OG1 3.06Å
417D85.8Confident88.2Confident32 Ų3238.5 Ų38.517%0.17120%0.204CC..Hα-helixtrans-58.2-49.1173.6-66.8-14.1000108.5K70 S413 E414 Y419 T420 D421K70-D417 WeakPolarHBondContact CE-OD2 3.45Å; K70-D417 IonicContact NZ-OD1 2.69Å; K70-D417 IonicContact NZ-OD2 3.5Å; K70-D417 PolarHBondContact NZ-OD2 2.96Å; S413-D417 PolarHBondContact O-N 3.23Å; S413-D417 VanDerWaalsContact O-N 3.16Å; E414-D417 WeakPolarHBondContact O-CB 3.27Å; E414-D417 PolarHBondContact O-N 3.44Å; D417-Y419 PolarHBondContact O-N 2.94Å; D417-T420 WeakPolarHBondContact O-CB 3.24Å; D417-T420 PolarHBondContact O-N 3.27Å; D417-D421 VanDerWaalsContact O-CG 3.25Å; D417-D421 PolarHBondContact O-N 3.42Å
418R89Confident88.1Confident37 Ų3734.1 Ų34.114%0.1417%0.174CC..Hα-helixtrans-57.6-41.3175.7-67.5-168.4-72.6128.3-2.2114.5A174 D177 I180 E414 K415 K416 T420 A422A174-R418 PolarHBondContact O-NH1 3.44Å; D177-R418 IonicContact OD2-CZ 3.62Å; D177-R418 IonicContact OD2-NH1 2.86Å; D177-R418 PolarHBondContact OD2-NH1 3.47Å; D177-R418 IonicContact OD2-NH2 2.94Å; I180-R418 HydrophobicContact CD1-CB 4.22Å; I180-R418 VanDerWaalsContact CD1-NH1 3.33Å; E414-R418 PolarHBondContact O-N 3.4Å; E414-R418 VanDerWaalsContact O-N 3.14Å; E414-R418 WeakPolarHBondContact OE1-CD 3.43Å; E414-R418 IonicContact OE1-NE 3.51Å; E414-R418 PolarHBondContact OE1-NE 3.23Å; E414-R418 IonicContact OE2-CZ 3.48Å; E414-R418 IonicContact OE2-NE 2.64Å; E414-R418 PolarHBondContact OE2-NE 3.04Å; E414-R418 IonicContact OE2-NH2 3.92Å; E414-R418 PolarHBondContact OE2-NH2 3.26Å; K415-R418 WeakPolarHBondContact O-CB 3.36Å; K415-R418 PolarHBondContact O-N 2.95Å; K416-R418 VanDerWaalsContact C-N 3.32Å; R418-T420 VanDerWaalsContact C-N 3.31Å; R418-A422 VanDerWaalsContact O-CB 3.24Å; R418-A422 WeakPolarHBondContact O-CB 3.31Å; R418-A422 PolarHBondContact O-N 3.06Å
419Y90.3Very high88.3Confident0 Ų031.4 Ų31.40%016%0.155CC..Hα-helixtrans-63.2-39175.1-93.2-72.4000112.2I180 L183 I184 V199 D207 I402 V404 K415 K416 D417 L423I180-Y419 HydrophobicContact CB-CD1 4.47Å; I180-Y419 HydrophobicContact CB-CE1 4.02Å; I180-Y419 HydrophobicContact CD1-CD2 4.05Å; I180-Y419 HydrophobicContact CD1-CE2 3.92Å; I180-Y419 HydrophobicContact CD1-CG 4.45Å; I180-Y419 HydrophobicContact CG1-CD1 4.44Å; I180-Y419 HydrophobicContact CG1-CD2 4.31Å; I180-Y419 HydrophobicContact CG1-CE1 3.93Å; I180-Y419 HydrophobicContact CG1-CE2 3.79Å; I180-Y419 HydrophobicContact CG2-CD1 3.64Å; I180-Y419 HydrophobicContact CG2-CE1 3.64Å; I180-Y419 HydrophobicContact CG2-CG 4.19Å; L183-Y419 WeakPolarHBondContact CD1-OH 3.39Å; I184-Y419 HydrophobicContact CD1-CD1 4.23Å; I184-Y419 HydrophobicContact CG1-CD1 4.32Å; V199-Y419 HydrophobicContact CG1-CG 4.28Å; D207-Y419 WeakPolarHBondContact CB-OH 3.1Å; D207-Y419 PolarHBondContact OD2-OH 3.44Å; I402-Y419 HydrophobicContact CD1-CD1 4.13Å; I402-Y419 HydrophobicContact CD1-CE1 4.27Å; I402-Y419 HydrophobicContact CG2-CD1 3.85Å; I402-Y419 HydrophobicContact CG2-CE1 3.61Å; I402-Y419 HydrophobicContact CG2-CE2 4.38Å; I402-Y419 HydrophobicContact CG2-CG 4.34Å; V404-Y419 HydrophobicContact CB-CD2 4.36Å; V404-Y419 HydrophobicContact CB-CE2 4.44Å; V404-Y419 HydrophobicContact CG1-CD2 4.05Å; V404-Y419 HydrophobicContact CG1-CE2 4.07Å; V404-Y419 HydrophobicContact CG2-CD2 3.46Å; V404-Y419 VanDerWaalsContact CG2-CD2 3.46Å; V404-Y419 HydrophobicContact CG2-CE2 3.85Å; V404-Y419 HydrophobicContact CG2-CG 4.17Å; K415-Y419 HydrophobicContact CD-CE2 4.43Å; K415-Y419 HydrophobicContact CG-CD2 4.13Å; K415-Y419 HydrophobicContact CG-CE2 4.04Å; K415-Y419 VanDerWaalsContact O-CD2 3.31Å; K415-Y419 WeakPolarHBondContact O-CD2 3.23Å; K415-Y419 PolarHBondContact O-N 2.85Å; K416-Y419 PolarHBondContact O-N 2.93Å; D417-Y419 PolarHBondContact O-N 2.94Å; Y419-L423 WeakPolarHBondContact O-CB 3.46Å; Y419-L423 VanDerWaalsContact O-CG 3.26Å; Y419-L423 WeakPolarHBondContact O-CG 3.21Å; Y419-L423 PolarHBondContact O-N 2.98Å
420T85.4Confident88.6Confident52 Ų5227.2 Ų27.232%0.31914%0.137SC..Hα-helixtrans-69.2-46.3-178.9-53.50000110.3K416 D417 R418 L423 N424K416-T420 PolarHBondContact O-N 3.05Å; K416-T420 PolarHBondContact O-OG1 3.06Å; D417-T420 WeakPolarHBondContact O-CB 3.24Å; D417-T420 PolarHBondContact O-N 3.27Å; R418-T420 VanDerWaalsContact C-N 3.31Å; T420-L423 PolarHBondContact O-N 3.4Å; T420-N424 VanDerWaalsContact O-CG 3.28Å; T420-N424 PolarHBondContact O-N 2.92Å; T420-N424 PolarHBondContact O-ND2 2.96Å
421D87.1Confident88.7Confident27 Ų2731.2 Ų31.214%0.14415%0.153CC..Hα-helixtrans-61.1-47.3177.5-60.1-14.9000110.5D417 L423 N424 A425D417-D421 VanDerWaalsContact O-CG 3.25Å; D417-D421 PolarHBondContact O-N 3.42Å; D421-L423 PolarHBondContact O-N 3.18Å; D421-N424 PolarHBondContact O-N 2.91Å; D421-A425 WeakPolarHBondContact O-CB 3.47Å; D421-A425 PolarHBondContact O-N 2.94Å
422A91.6Very high88.8Confident0 Ų029.8 Ų29.80%015%0.146CC..Hα-helixtrans-61.2-42.4177.800000112.8A170 A174 I180 I184 R418 N424 A425 T426A170-A422 WeakPolarHBondContact O-CB 3.31Å; A174-A422 HydrophobicContact CB-CB 4.09Å; I180-A422 HydrophobicContact CG2-CB 4.24Å; I184-A422 HydrophobicContact CD1-CB 3.44Å; I184-A422 VanDerWaalsContact CD1-CB 3.44Å; R418-A422 VanDerWaalsContact O-CB 3.24Å; R418-A422 WeakPolarHBondContact O-CB 3.31Å; R418-A422 PolarHBondContact O-N 3.06Å; A422-N424 VanDerWaalsContact C-N 3.34Å; A422-N424 PolarHBondContact O-N 3.3Å; A422-A425 PolarHBondContact O-N 3.22Å; A422-T426 WeakPolarHBondContact O-CB 3.4Å; A422-T426 PolarHBondContact O-N 3.48Å; A422-T426 PolarHBondContact O-OG1 3.45Å
423L88.8Confident89.1Confident6 Ų629.3 Ų29.33%0.03114%0.144CC..Hα-helixtrans-62.3-41.6176.3-79170.2000112.6I184 I197 V199 I402 Y419 T420 D421 R427I184-L423 HydrophobicContact CB-CD2 4.35Å; I184-L423 HydrophobicContact CD1-CD2 4.17Å; I184-L423 HydrophobicContact CD1-CG 3.97Å; I184-L423 HydrophobicContact CG1-CD2 3.85Å; I184-L423 HydrophobicContact CG1-CG 4.11Å; I184-L423 HydrophobicContact CG2-CD2 3.76Å; I197-L423 HydrophobicContact CB-CD1 4.4Å; I197-L423 HydrophobicContact CB-CD2 4.02Å; I197-L423 HydrophobicContact CD1-CD2 3.75Å; I197-L423 HydrophobicContact CG1-CD2 4.48Å; I197-L423 HydrophobicContact CG2-CD1 3.84Å; I197-L423 HydrophobicContact CG2-CD2 3.72Å; I197-L423 HydrophobicContact CG2-CG 4.47Å; V199-L423 HydrophobicContact CG2-CD1 3.26Å; I402-L423 HydrophobicContact CD1-CD1 4.4Å; Y419-L423 WeakPolarHBondContact O-CB 3.46Å; Y419-L423 VanDerWaalsContact O-CG 3.26Å; Y419-L423 WeakPolarHBondContact O-CG 3.21Å; Y419-L423 PolarHBondContact O-N 2.98Å; T420-L423 PolarHBondContact O-N 3.4Å; D421-L423 PolarHBondContact O-N 3.18Å; L423-R427 WeakPolarHBondContact O-CG 3.16Å; L423-R427 PolarHBondContact O-N 2.96Å; L423-R427 VanDerWaalsContact O-N 3.11Å
424N86.5Confident89.6Confident45 Ų4528.4 Ų28.424%0.24114%0.137CC..Hα-helixtrans-67.6-45.8178.8-67.3-28000111.3G108 T420 D421 A422 T426 R427 A428G108-N424 PolarHBondContact O-ND2 2.98Å; T420-N424 VanDerWaalsContact O-CG 3.28Å; T420-N424 PolarHBondContact O-N 2.92Å; T420-N424 PolarHBondContact O-ND2 2.96Å; D421-N424 PolarHBondContact O-N 2.91Å; A422-N424 VanDerWaalsContact C-N 3.34Å; A422-N424 PolarHBondContact O-N 3.3Å; N424-T426 VanDerWaalsContact C-N 3.33Å; N424-T426 PolarHBondContact O-N 2.85Å; N424-R427 PolarHBondContact O-N 2.72Å; N424-A428 WeakPolarHBondContact O-CB 3.45Å; N424-A428 PolarHBondContact O-N 3.44Å
425A90.6Very high89.9Confident0 Ų027.1 Ų27.10%013%0.131CC..Hα-helixtrans-59.3-43.1176.500000111.7D109 V169 S173 D421 A422 R427 A428 A429 P519D109-A425 HydrophobicContact CB-CB 4.22Å; V169-A425 HydrophobicContact CG1-CB 4.26Å; S173-A425 WeakPolarHBondContact OG-CB 3.12Å; D421-A425 WeakPolarHBondContact O-CB 3.47Å; D421-A425 PolarHBondContact O-N 2.94Å; A422-A425 PolarHBondContact O-N 3.22Å; A425-R427 PolarHBondContact O-N 3.28Å; A425-A428 PolarHBondContact O-N 2.89Å; A425-A429 WeakPolarHBondContact O-CB 3.19Å; A425-A429 PolarHBondContact O-N 2.92Å; A425-P519 HydrophobicContact CB-CG 3.98Å; A425-P519 WeakPolarHBondContact O-CG 3.49Å
426T91.3Very high90.2Very high0 Ų026.2 Ų26.20%013%0.128CC..Hα-helixtrans-63.9-40.6176.9-52.10000112.3I166 A170 M188 A422 N424 A429 I430I166-T426 HydrophobicContact CB-CG2 4.3Å; I166-T426 HydrophobicContact CG2-CG2 3.41Å; I166-T426 VanDerWaalsContact CG2-CG2 3.41Å; A170-T426 WeakPolarHBondContact CB-OG1 3.45Å; M188-T426 HydrophobicContact CE-CG2 3.58Å; M188-T426 HydrophobicContact SD-CG2 3.33Å; M188-T426 WeakPolarHBondContact SD-CG2 3.28Å; A422-T426 WeakPolarHBondContact O-CB 3.4Å; A422-T426 PolarHBondContact O-N 3.48Å; A422-T426 PolarHBondContact O-OG1 3.45Å; N424-T426 VanDerWaalsContact C-N 3.33Å; N424-T426 PolarHBondContact O-N 2.85Å; T426-A429 PolarHBondContact O-N 3.47Å; T426-I430 HydrophobicContact CG2-CD1 4.44Å; T426-I430 WeakPolarHBondContact O-CG1 3.16Å; T426-I430 PolarHBondContact O-N 2.97Å; T426-I430 VanDerWaalsContact O-N 3.08Å
427R87.7Confident90.5Very high72 Ų7224.9 Ų24.927%0.27212%0.122SC..Hα-helixtrans-62.5-47.3173.3-75.3178173.6152.71.4111.8M188 L423 N424 A425 A429 I430 E431M188-R427 HydrophobicContact CE-CG 3.9Å; L423-R427 WeakPolarHBondContact O-CG 3.16Å; L423-R427 PolarHBondContact O-N 2.96Å; L423-R427 VanDerWaalsContact O-N 3.11Å; N424-R427 PolarHBondContact O-N 2.72Å; A425-R427 PolarHBondContact O-N 3.28Å; R427-A429 PolarHBondContact O-N 3.26Å; R427-I430 PolarHBondContact O-N 3.25Å; R427-I430 VanDerWaalsContact O-N 3.13Å; R427-E431 PolarHBondContact O-N 3.33Å; R427-E431 VanDerWaalsContact O-N 3.11Å
428A90Very high90.9Very high3 Ų324.1 Ų24.13%0.02512%0.122CC..Hα-helixtrans-58.4-34.4177.500000112.3N424 A425 E431 E432 P519 K521 V522N424-A428 WeakPolarHBondContact O-CB 3.45Å; N424-A428 PolarHBondContact O-N 3.44Å; A425-A428 PolarHBondContact O-N 2.89Å; A428-E431 PolarHBondContact O-N 3.37Å; A428-E432 PolarHBondContact O-N 3.35Å; A428-P519 HydrophobicContact CB-CB 4.03Å; A428-K521 HydrophobicContact CB-CB 4.12Å; A428-K521 HydrophobicContact CB-CD 4.02Å; A428-K521 HydrophobicContact CB-CG 4.41Å; A428-V522 HydrophobicContact CB-CG2 4.11Å
429A92.3Very high91.2Very high0 Ų022.8 Ų22.80%012%0.119CC..Hα-helixtrans-75.6-33178.500000113.1I160 V169 A425 T426 R427 E431 G433 I434 P519I160-A429 HydrophobicContact CD1-CB 3.36Å; I160-A429 HydrophobicContact CG1-CB 4.48Å; V169-A429 HydrophobicContact CG1-CB 3.95Å; V169-A429 HydrophobicContact CG2-CB 4Å; A425-A429 WeakPolarHBondContact O-CB 3.19Å; A425-A429 PolarHBondContact O-N 2.92Å; T426-A429 PolarHBondContact O-N 3.47Å; R427-A429 PolarHBondContact O-N 3.26Å; A429-E431 VanDerWaalsContact C-N 3.31Å; A429-G433 CarbonylContact O-C 3.58Å; A429-G433 WeakPolarHBondContact O-CA 3.46Å; A429-G433 PolarHBondContact O-N 3Å; A429-I434 HydrophobicContact CB-CG2 3.87Å; A429-P519 HydrophobicContact CB-CB 3.86Å; A429-P519 HydrophobicContact CB-CG 3.98Å
430I90.3Very high91.5Very high53 Ų5322.8 Ų22.827%0.27212%0.12SC..Hα-helixtrans-66.1-36.7172-68.1165.3000110.5I166 M188 N193 T426 R427I166-I430 HydrophobicContact CD1-CD1 4.43Å; M188-I430 HydrophobicContact CE-CD1 4.07Å; M188-I430 HydrophobicContact SD-CD1 3.86Å; N193-I430 HydrophobicContact CB-CD1 4.36Å; N193-I430 HydrophobicContact CB-CG2 4.3Å; T426-I430 HydrophobicContact CG2-CD1 4.44Å; T426-I430 WeakPolarHBondContact O-CG1 3.16Å; T426-I430 PolarHBondContact O-N 2.97Å; T426-I430 VanDerWaalsContact O-N 3.08Å; R427-I430 PolarHBondContact O-N 3.25Å; R427-I430 VanDerWaalsContact O-N 3.13Å
431E88.4Confident92Very high123 Ų12320.4 Ų20.458%0.57511%0.105SC*.Hα-helixtrans-73.5-51-178-71.1174.5-163.300114.2R427 A428 A429 K521R427-E431 PolarHBondContact O-N 3.33Å; R427-E431 VanDerWaalsContact O-N 3.11Å; A428-E431 PolarHBondContact O-N 3.37Å; A429-E431 VanDerWaalsContact C-N 3.31Å; E431-K521 IonicContact OE1-NZ 3.01Å; E431-K521 WeakPolarHBondContact OE2-CD 3.44Å; E431-K521 IonicContact OE2-NZ 2.92Å; E431-K521 PolarHBondContact OE2-NZ 2.88Å
432E92.5Very high92.5Very high53 Ų5319.3 Ų19.325%0.24810%0.099CC..Hα-helixtrans-115.1-0.5-173-67.8-168.2-145.400114.4S157 A428 K521 R524S157-E432 PolarHBondContact OG-O 3.25Å; A428-E432 PolarHBondContact O-N 3.35Å; E432-K521 HydrophobicContact CB-CB 3.96Å; E432-K521 HydrophobicContact CG-CB 3.93Å; E432-K521 WeakPolarHBondContact OE1-CG 3.48Å; E432-R524 IonicContact OE1-CZ 3.19Å; E432-R524 IonicContact OE1-NE 3.96Å; E432-R524 PolarHBondContact OE1-NE 3.4Å; E432-R524 IonicContact OE1-NH2 3.26Å; E432-R524 PolarHBondContact OE1-NH2 3.15Å; E432-R524 IonicContact OE2-CZ 2.68Å; E432-R524 IonicContact OE2-NE 2.74Å; E432-R524 PolarHBondContact OE2-NE 3.33Å; E432-R524 IonicContact OE2-NH2 2.71Å
433G93.8Very high92.7Very high3 Ų319.5 Ų19.53%0.03110%0.1CC..  trans83.3-166.8-17600000113.9K158 A429 T520K158-G433 CarbonylContact O-C 3.51Å; K158-G433 WeakPolarHBondContact O-CA 3.4Å; A429-G433 CarbonylContact O-C 3.58Å; A429-G433 WeakPolarHBondContact O-CA 3.46Å; A429-G433 PolarHBondContact O-N 3Å; G433-T520 PolarHBondContact O-N 3.28Å; G433-T520 PolarHBondContact O-OG1 3.32Å
434I94.8Very high93Very high7 Ų720.9 Ų20.94%0.03611%0.105CC..EExtended strand (participates in β ladder)trans-126152.5-17354.5169.8000112.3S157 K158 I160 V169 A429 I517 D518S157-I434 WeakPolarHBondContact CA-O 3.32Å; K158-I434 HydrophobicContact CB-CG1 4.35Å; K158-I434 PolarHBondContact N-O 3.01Å; K158-I434 WeakPolarHBondContact O-CG1 3.28Å; K158-I434 PolarHBondContact O-N 3.34Å; I160-I434 HydrophobicContact CD1-CG2 3.64Å; I160-I434 HydrophobicContact CG1-CD1 4.4Å; I160-I434 HydrophobicContact CG1-CG1 4.29Å; I160-I434 HydrophobicContact CG1-CG2 3.74Å; V169-I434 HydrophobicContact CG2-CG2 3.77Å; A429-I434 HydrophobicContact CB-CG2 3.87Å; I434-I517 HydrophobicContact CB-CB 4.37Å; I434-I517 HydrophobicContact CD1-CB 4.36Å; I434-I517 HydrophobicContact CD1-CD1 3.63Å; I434-I517 HydrophobicContact CD1-CG2 4.23Å; I434-I517 HydrophobicContact CG2-CD1 4.27Å; I434-D518 WeakPolarHBondContact CA-O 3.38Å
435V95.3Very high93.4Very high1 Ų118.7 Ų18.71%0.0069%0.093CC..EExtended strand (participates in β ladder)trans-131.5161174.6-74.60000111.3L156 G437 A441 I517 D518 T520 V523L156-V435 HydrophobicContact CB-CG1 4.36Å; V435-G437 PolarHBondContact O-N 2.91Å; V435-A441 HydrophobicContact CB-CB 3.81Å; V435-A441 HydrophobicContact CG2-CB 3.69Å; V435-I517 WeakPolarHBondContact O-CA 3.5Å; V435-D518 WeakPolarHBondContact CG2-O 3.43Å; V435-D518 PolarHBondContact N-O 3.5Å; V435-D518 PolarHBondContact O-N 3.42Å; V435-T520 HydrophobicContact CG1-CG2 4.49Å; V435-T520 WeakPolarHBondContact CG1-OG1 3.34Å; V435-V523 HydrophobicContact CG2-CG2 4Å
436P95.2Very high93.6Very high9 Ų919 Ų196%0.05810%0.095CC..EExtended strand (participates in β ladder)trans-56.2121.7174.3-26.635.9000112.3T440 A441 M511 I512P436-T440 HydrophobicContact CB-CG2 4.16Å; P436-A441 WeakPolarHBondContact O-CB 3.15Å; P436-A441 PolarHBondContact O-N 3.49Å; P436-M511 HydrophobicContact CB-CB 4.07Å; P436-M511 HydrophobicContact CB-CG 4.5Å; P436-I512 HydrophobicContact CG-CD1 4.3Å; P436-I512 HydrophobicContact CG-CG1 4.31Å
437G95Very high93.7Very high0 Ų023 Ų230%012%0.121CC..THydrogen-bonded Turntrans-78.8-164.6-17300000114.9V435 G439 T440 M511 I516 D518V435-G437 PolarHBondContact O-N 2.91Å; G437-G439 PolarHBondContact O-N 3.21Å; G437-T440 WeakPolarHBondContact O-CB 3.45Å; G437-T440 PolarHBondContact O-N 2.98Å; G437-T440 PolarHBondContact O-OG1 3.15Å; G437-M511 WeakPolarHBondContact O-CE 3.12Å; G437-I516 PolarHBondContact N-O 3.35Å; G437-D518 VanDerWaalsContact CA-CG 3.42Å; G437-D518 WeakPolarHBondContact CA-OD2 3.5Å
438G93.5Very high94Very high16 Ų1622.2 Ų22.217%0.16512%0.122CC..THydrogen-bonded Turntrans67.221.7176.100000114.1T440 D518G438-T440 PolarHBondContact O-N 3.08Å; G438-D518 PolarHBondContact N-OD2 3.44Å
439G95.3Very high94.1Very high8 Ų822.3 Ų22.38%0.08212%0.122CC..THydrogen-bonded Turntrans782.6-172.500000114.5G437 A441 L442 L443G437-G439 PolarHBondContact O-N 3.21Å; G439-A441 PolarHBondContact O-N 3.39Å; G439-L442 PolarHBondContact O-N 3.37Å; G439-L443 PolarHBondContact O-N 3.41Å
440T96.6Very high94.1Very high1 Ų129.6 Ų29.61%0.00615%0.153CC..Hα-helixtrans-63.6-43-179.2-51.90000111.2P436 G437 G438 L442 L443 R444 V492P436-T440 HydrophobicContact CB-CG2 4.16Å; G437-T440 WeakPolarHBondContact O-CB 3.45Å; G437-T440 PolarHBondContact O-N 2.98Å; G437-T440 PolarHBondContact O-OG1 3.15Å; G438-T440 PolarHBondContact O-N 3.08Å; T440-L442 VanDerWaalsContact C-N 3.29Å; T440-L442 PolarHBondContact O-N 3.46Å; T440-L443 WeakPolarHBondContact O-CB 3.37Å; T440-L443 PolarHBondContact O-N 2.93Å; T440-L443 VanDerWaalsContact O-N 3.08Å; T440-R444 HydrophobicContact CG2-CG 4.34Å; T440-R444 WeakPolarHBondContact O-CG 3.3Å; T440-R444 PolarHBondContact O-N 3.4Å; T440-V492 HydrophobicContact CG2-CG1 4.16Å
441A96.4Very high94.1Very high2 Ų231 Ų312%0.01717%0.168CC..Hα-helixtrans-52.6-44.2177.600000113.3L153 V435 P436 G439 R444 C445L153-A441 HydrophobicContact CD2-CB 3.86Å; V435-A441 HydrophobicContact CB-CB 3.81Å; V435-A441 HydrophobicContact CG2-CB 3.69Å; P436-A441 WeakPolarHBondContact O-CB 3.15Å; P436-A441 PolarHBondContact O-N 3.49Å; G439-A441 PolarHBondContact O-N 3.39Å; A441-R444 PolarHBondContact O-N 3.49Å; A441-C445 PolarHBondContact O-N 3.23Å; A441-C445 PolarHBondContact O-SG 3.42Å
442L96.7Very high94.3Very high4 Ų427.7 Ų27.72%0.02115%0.154CC..Hα-helixtrans-68.7-40.3178.3-64.2174.7000111.7L117 L153 G439 T440 R444 C445 L470 P473 V523 L527L117-L442 HydrophobicContact CD1-CD1 4.4Å; L153-L442 HydrophobicContact CD1-CD2 4.21Å; G439-L442 PolarHBondContact O-N 3.37Å; T440-L442 VanDerWaalsContact C-N 3.29Å; T440-L442 PolarHBondContact O-N 3.46Å; L442-R444 VanDerWaalsContact C-N 3.26Å; L442-R444 PolarHBondContact O-N 3.27Å; L442-C445 WeakPolarHBondContact O-CB 3.48Å; L442-C445 PolarHBondContact O-N 2.96Å; L442-L470 HydrophobicContact CB-CB 4.26Å; L442-L470 HydrophobicContact CB-CD2 4.28Å; L442-L470 HydrophobicContact CD2-CD2 4.07Å; L442-L470 WeakPolarHBondContact O-CD1 3.48Å; L442-P473 HydrophobicContact CD1-CG 3.79Å; L442-V523 HydrophobicContact CD1-CG1 4.45Å; L442-V523 HydrophobicContact CD2-CG1 3.61Å; L442-V523 HydrophobicContact CG-CG1 3.89Å; L442-L527 HydrophobicContact CD2-CD2 4.35Å
443L96.4Very high94.2Very high4 Ų434 Ų342%0.02118%0.184CC..Hα-helixtrans-60.7-36174.8-68.4178.2000112.2G439 T440 C445 I446 C474 V489 V492 M493G439-L443 PolarHBondContact O-N 3.41Å; T440-L443 WeakPolarHBondContact O-CB 3.37Å; T440-L443 PolarHBondContact O-N 2.93Å; T440-L443 VanDerWaalsContact O-N 3.08Å; L443-C445 PolarHBondContact O-N 3.23Å; L443-I446 HydrophobicContact CB-CD1 4.5Å; L443-I446 HydrophobicContact CD2-CD1 3.73Å; L443-I446 WeakPolarHBondContact O-CB 3.49Å; L443-I446 WeakPolarHBondContact O-CG1 3.38Å; L443-I446 PolarHBondContact O-N 3.49Å; L443-C474 HydrophobicContact CD1-CB 3.9Å; L443-C474 HydrophobicContact CG-CB 4.47Å; L443-V489 HydrophobicContact CD2-CG1 4.13Å; L443-V492 HydrophobicContact CD1-CB 4.1Å; L443-V492 HydrophobicContact CD1-CG1 3.66Å; L443-M493 HydrophobicContact CB-CG 4.42Å; L443-M493 HydrophobicContact CD1-CG 4.35Å; L443-M493 HydrophobicContact CD2-CG 4.01Å; L443-M493 HydrophobicContact CD2-SD 4.19Å
444R95Very high94.1Very high34 Ų3435.9 Ų35.913%0.12820%0.196CC..Hα-helixtrans-68.7-17.8176.5-62.7-62.9170.7-107.23.1113.5L156 T440 A441 L442 P447 V492 G496 Q497 M499L156-R444 HydrophobicContact CD1-CB 4Å; T440-R444 HydrophobicContact CG2-CG 4.34Å; T440-R444 WeakPolarHBondContact O-CG 3.3Å; T440-R444 PolarHBondContact O-N 3.4Å; A441-R444 PolarHBondContact O-N 3.49Å; L442-R444 VanDerWaalsContact C-N 3.26Å; L442-R444 PolarHBondContact O-N 3.27Å; R444-P447 VanDerWaalsContact O-CD 3.25Å; R444-P447 WeakPolarHBondContact O-CD 3.46Å; R444-V492 PolarHBondContact NH1-O 2.94Å; R444-V492 PolarHBondContact NH2-O 3.14Å; R444-G496 PolarHBondContact NE-O 3.49Å; R444-G496 PolarHBondContact NH2-O 2.98Å; R444-Q497 WeakPolarHBondContact CD-O 3.26Å; R444-Q497 PolarHBondContact NE-O 3.04Å; R444-M499 PolarHBondContact NH2-O 3.29Å
445C94.9Very high94Very high0 Ų044.5 Ų44.50%023%0.233CC..THydrogen-bonded Turntrans-86.7-2.1174.5-58.80000113.4V149 A441 L442 L443 I448 L470V149-C445 HydrophobicContact CB-CB 4.35Å; V149-C445 HydrophobicContact CG1-CB 3.76Å; V149-C445 HydrophobicContact CG2-CB 4.12Å; A441-C445 PolarHBondContact O-N 3.23Å; A441-C445 PolarHBondContact O-SG 3.42Å; L442-C445 WeakPolarHBondContact O-CB 3.48Å; L442-C445 PolarHBondContact O-N 2.96Å; L443-C445 PolarHBondContact O-N 3.23Å; C445-I448 HydrophobicContact CB-CG2 4.41Å; C445-I448 WeakPolarHBondContact O-CG2 3.37Å; C445-L470 HydrophobicContact CB-CD1 4.16Å
446I94.2Very high94Very high5 Ų547.1 Ų47.13%0.02625%0.247CC..Hα-helixtrans-62.1-42.3177.5-69.8171.5000113.2L443 I448 L449 K450 L467 L470 M493L443-I446 HydrophobicContact CB-CD1 4.5Å; L443-I446 HydrophobicContact CD2-CD1 3.73Å; L443-I446 WeakPolarHBondContact O-CB 3.49Å; L443-I446 WeakPolarHBondContact O-CG1 3.38Å; L443-I446 PolarHBondContact O-N 3.49Å; I446-I448 VanDerWaalsContact C-N 3.33Å; I446-I448 PolarHBondContact O-N 2.82Å; I446-L449 PolarHBondContact O-N 3.46Å; I446-L449 VanDerWaalsContact O-N 3.17Å; I446-K450 PolarHBondContact O-N 3.11Å; I446-L467 HydrophobicContact CG2-CD1 4.34Å; I446-L467 HydrophobicContact CG2-CG 4.16Å; I446-L470 HydrophobicContact CG1-CB 4.33Å; I446-L470 HydrophobicContact CG1-CD1 4.19Å; I446-M493 HydrophobicContact CD1-CE 3.62Å; I446-M493 HydrophobicContact CD1-CG 4.46Å; I446-M493 HydrophobicContact CD1-SD 3.82Å; I446-M493 HydrophobicContact CG2-CE 4.17Å
447P93.5Very high93.9Very high84 Ų8453.5 Ų53.555%0.54528%0.276SS..Hα-helixtrans-57.8-39.9-179.4-26.736.7000113.9R444 L449 K450 S451R444-P447 VanDerWaalsContact O-CD 3.25Å; R444-P447 WeakPolarHBondContact O-CD 3.46Å; P447-L449 VanDerWaalsContact C-N 3.25Å; P447-L449 PolarHBondContact O-N 2.73Å; P447-K450 WeakPolarHBondContact O-CB 3.3Å; P447-K450 PolarHBondContact O-N 3.3Å; P447-K450 VanDerWaalsContact O-N 3.11Å; P447-S451 PolarHBondContact O-N 3.28Å
448I93.3Very high93.8Very high57 Ų5755.4 Ų55.429%0.29229%0.286SS..Hα-helixtrans-65.6-29.8179.7-173.162.1000112.2A148 E152 C445 I446 S451 L452A148-I448 HydrophobicContact CB-CG1 4.44Å; E152-I448 HydrophobicContact CB-CG2 4.09Å; E152-I448 HydrophobicContact CG-CG2 4.15Å; C445-I448 HydrophobicContact CB-CG2 4.41Å; C445-I448 WeakPolarHBondContact O-CG2 3.37Å; I446-I448 VanDerWaalsContact C-N 3.33Å; I446-I448 PolarHBondContact O-N 2.82Å; I448-S451 PolarHBondContact O-OG 3.27Å; I448-S451 VanDerWaalsContact O-OG 3.08Å; I448-L452 PolarHBondContact O-N 3.09Å
449L93Very high93.9Very high5 Ų555.6 Ų55.63%0.02628%0.283CS..Hα-helixtrans-74.5-25.6175.4-66.2-175.2000113.2A145 A148 V149 I446 P447 S451 L452 V463 V466 L467 L470A145-L449 HydrophobicContact CB-CD2 3.64Å; A148-L449 HydrophobicContact CB-CD2 4.46Å; V149-L449 HydrophobicContact CG2-CD1 3.83Å; V149-L449 HydrophobicContact CG2-CD2 3.83Å; V149-L449 HydrophobicContact CG2-CG 3.87Å; I446-L449 PolarHBondContact O-N 3.46Å; I446-L449 VanDerWaalsContact O-N 3.17Å; P447-L449 VanDerWaalsContact C-N 3.25Å; P447-L449 PolarHBondContact O-N 2.73Å; L449-S451 VanDerWaalsContact C-N 3.32Å; L449-L452 HydrophobicContact CD2-CD2 4.21Å; L449-L452 PolarHBondContact O-N 2.93Å; L449-V463 HydrophobicContact CB-CG1 4.32Å; L449-V463 HydrophobicContact CD2-CG1 4.4Å; L449-V466 HydrophobicContact CD1-CB 4.38Å; L449-V466 HydrophobicContact CD1-CG1 3.9Å; L449-L467 HydrophobicContact CB-CB 4.43Å; L449-L467 HydrophobicContact CB-CD1 4.28Å; L449-L467 HydrophobicContact CD1-CB 4.05Å; L449-L470 HydrophobicContact CD1-CD1 3.67Å; L449-L470 HydrophobicContact CD1-CG 4.41Å
450K92Very high93.9Very high152 Ų15261.3 Ų61.366%0.66130%0.302SS*.Hα-helixtrans-72.2-27.3176.5-68.8179.8177.6176.80112.4I446 P447 L467I446-K450 PolarHBondContact O-N 3.11Å; P447-K450 WeakPolarHBondContact O-CB 3.3Å; P447-K450 PolarHBondContact O-N 3.3Å; P447-K450 VanDerWaalsContact O-N 3.11Å; K450-L467 HydrophobicContact CG-CD1 3.88Å
451S90.7Very high93.8Very high83 Ų8362.1 Ų62.158%0.5831%0.307SS*.SBendtrans-94-2177.455.10000113.8P447 I448 L449 E453P447-S451 PolarHBondContact O-N 3.28Å; I448-S451 PolarHBondContact O-OG 3.27Å; I448-S451 VanDerWaalsContact O-OG 3.08Å; L449-S451 VanDerWaalsContact C-N 3.32Å; S451-E453 PolarHBondContact O-N 3.06Å
452L91.9Very high93.7Very high54 Ų5462 Ų6228%0.28331%0.306SS..  trans-74.1117.7-176.3-170.565.5000111.4A145 A148 I448 L449 V463A145-L452 HydrophobicContact CB-CD2 4.28Å; A148-L452 HydrophobicContact CB-CD1 4.35Å; A148-L452 HydrophobicContact CB-CD2 4.39Å; I448-L452 PolarHBondContact O-N 3.09Å; L449-L452 HydrophobicContact CD2-CD2 4.21Å; L449-L452 PolarHBondContact O-N 2.93Å; L452-V463 HydrophobicContact CB-CG1 4.43Å; L452-V463 HydrophobicContact CD2-CG1 4.13Å; L452-V463 HydrophobicContact CD2-CG2 3.85Å
453E90.3Very high93.6Very high186 Ų18662.3 Ų62.387%0.86931%0.308SS*.  trans-72.3136.6174.5-65.1-173.5167.200111.1S451S451-E453 PolarHBondContact O-N 3.06Å
454S91.5Very high93.6Very high41 Ų4165.6 Ų65.629%0.28732%0.323SS..  trans-118.4144.3178.846.10000110N456 R460S454-N456 VanDerWaalsContact C-N 3.35Å; S454-R460 WeakPolarHBondContact OG-CB 3.22Å
455K93.5Very high93.6Very high189 Ų18964 Ų6482%0.82232%0.317SS*.SBendtrans-75.4-25.6-176-61.7-179.5178.8178.40113.1
456N94.3Very high93.6Very high56 Ų5664 Ų6430%0.29932%0.317SS..SBendtrans-154173.1-178.358.242.3000110.7E137 S454 D458 Q459 R460E137-N456 PolarHBondContact OE2-ND2 2.94Å; S454-N456 VanDerWaalsContact C-N 3.35Å; N456-D458 PolarHBondContact O-N 3.11Å; N456-D458 PolarHBondContact OD1-N 2.8Å; N456-Q459 PolarHBondContact O-N 2.94Å; N456-Q459 WeakPolarHBondContact OD1-CB 3.38Å; N456-Q459 VanDerWaalsContact OD1-CG 3.29Å; N456-Q459 WeakPolarHBondContact OD1-CG 3.34Å; N456-Q459 PolarHBondContact OD1-N 2.84Å; N456-R460 PolarHBondContact O-N 2.71Å
457E93.9Very high93.7Very high143 Ų14366.1 Ų66.167%0.66833%0.328SS*.Hα-helixtrans-66.4-33.8-176.8-173.6168-162.400113.5R460 T461E457-R460 WeakPolarHBondContact O-CB 3.34Å; E457-R460 PolarHBondContact O-N 2.76Å; E457-T461 PolarHBondContact O-N 3.26Å; E457-T461 PolarHBondContact O-OG1 3.44Å
458D93.7Very high93.7Very high40 Ų4067.7 Ų67.721%0.21432%0.323CS..Hα-helixtrans-66-42.9176.8-69.7-48000111.6A133 N134 E137 N456 R460 T461 G462A133-D458 VanDerWaalsContact CA-OD1 3.25Å; A133-D458 WeakPolarHBondContact CA-OD1 3.38Å; A133-D458 WeakPolarHBondContact CB-OD1 3.42Å; N134-D458 VanDerWaalsContact CB-OD2 3.26Å; N134-D458 WeakPolarHBondContact CB-OD2 3.42Å; N134-D458 PolarHBondContact N-OD1 3.5Å; E137-D458 HydrophobicContact CB-CB 3.49Å; E137-D458 VanDerWaalsContact CB-CB 3.49Å; N456-D458 PolarHBondContact O-N 3.11Å; N456-D458 PolarHBondContact OD1-N 2.8Å; D458-R460 VanDerWaalsContact C-N 3.34Å; D458-T461 WeakPolarHBondContact O-CB 3.29Å; D458-T461 PolarHBondContact O-N 2.96Å; D458-G462 PolarHBondContact O-N 3.25Å
459Q95.2Very high93.9Very high19 Ų1965 Ų659%0.08931%0.31CS..Hα-helixtrans-63.6-41.9173.1-74.3-179.918.900110.9E137 R140 N456 T461 G462 V463E137-Q459 WeakPolarHBondContact O-CG 3.07Å; E137-Q459 PolarHBondContact OE2-NE2 2.86Å; R140-Q459 HydrophobicContact CB-CG 4.35Å; N456-Q459 PolarHBondContact O-N 2.94Å; N456-Q459 WeakPolarHBondContact OD1-CB 3.38Å; N456-Q459 VanDerWaalsContact OD1-CG 3.29Å; N456-Q459 WeakPolarHBondContact OD1-CG 3.34Å; N456-Q459 PolarHBondContact OD1-N 2.84Å; Q459-T461 PolarHBondContact O-N 2.96Å; Q459-G462 WeakPolarHBondContact O-CA 3.49Å; Q459-G462 PolarHBondContact O-N 2.85Å; Q459-G462 VanDerWaalsContact O-N 3.08Å; Q459-V463 WeakPolarHBondContact O-CG2 3.36Å; Q459-V463 PolarHBondContact O-N 3.45Å
460R94.9Very high94Very high128 Ų12864.8 Ų64.848%0.48331%0.309SS..Hα-helixtrans-57.8-40.3174.5-162.7176.884.81640.5111.5S454 N456 E457 D458 V463 Q464S454-R460 WeakPolarHBondContact OG-CB 3.22Å; N456-R460 PolarHBondContact O-N 2.71Å; E457-R460 WeakPolarHBondContact O-CB 3.34Å; E457-R460 PolarHBondContact O-N 2.76Å; D458-R460 VanDerWaalsContact C-N 3.34Å; R460-V463 PolarHBondContact O-N 3.18Å; R460-Q464 WeakPolarHBondContact O-CG 3.39Å; R460-Q464 PolarHBondContact O-N 3.42Å
461T93.9Very high94.2Very high19 Ų1959.1 Ų59.112%0.11729%0.288CS..Hα-helixtrans-63.8-41.5175.9-59.20000111.2K128 E457 D458 Q459 Q464 I465K128-T461 HydrophobicContact CB-CG2 3.96Å; K128-T461 HydrophobicContact CD-CG2 3.98Å; K128-T461 HydrophobicContact CG-CG2 3.66Å; E457-T461 PolarHBondContact O-N 3.26Å; E457-T461 PolarHBondContact O-OG1 3.44Å; D458-T461 WeakPolarHBondContact O-CB 3.29Å; D458-T461 PolarHBondContact O-N 2.96Å; Q459-T461 PolarHBondContact O-N 2.96Å; T461-Q464 PolarHBondContact O-N 3.4Å; T461-I465 HydrophobicContact CG2-CD1 4.27Å; T461-I465 WeakPolarHBondContact O-CG1 3.37Å; T461-I465 PolarHBondContact O-N 3.03Å
462G94.7Very high94.5Very high0 Ų056.3 Ų56.30%027%0.267CS..Hα-helixtrans-56.6-48.9171.400000113.2D458 Q459 Q464 I465 V466D458-G462 PolarHBondContact O-N 3.25Å; Q459-G462 WeakPolarHBondContact O-CA 3.49Å; Q459-G462 PolarHBondContact O-N 2.85Å; Q459-G462 VanDerWaalsContact O-N 3.08Å; G462-Q464 PolarHBondContact O-N 3.23Å; G462-I465 PolarHBondContact O-N 2.91Å; G462-V466 PolarHBondContact O-N 3.04Å; G462-V466 VanDerWaalsContact O-N 3.14Å
463V95.9Very high94.8Very high9 Ų953.9 Ų53.96%0.05526%0.255CS..Hα-helixtrans-60.9-43.5177.2177.90000111.5A145 L449 L452 Q459 R460 I465 V466 L467A145-V463 HydrophobicContact CB-CB 4.4Å; A145-V463 HydrophobicContact CB-CG1 4.35Å; A145-V463 HydrophobicContact CB-CG2 4.18Å; L449-V463 HydrophobicContact CB-CG1 4.32Å; L449-V463 HydrophobicContact CD2-CG1 4.4Å; L452-V463 HydrophobicContact CB-CG1 4.43Å; L452-V463 HydrophobicContact CD2-CG1 4.13Å; L452-V463 HydrophobicContact CD2-CG2 3.85Å; Q459-V463 WeakPolarHBondContact O-CG2 3.36Å; Q459-V463 PolarHBondContact O-N 3.45Å; R460-V463 PolarHBondContact O-N 3.18Å; V463-I465 VanDerWaalsContact C-N 3.32Å; V463-I465 PolarHBondContact O-N 3.4Å; V463-V466 PolarHBondContact O-N 3.02Å; V463-L467 WeakPolarHBondContact O-CB 3.36Å; V463-L467 PolarHBondContact O-N 2.95Å
464Q94.7Very high95.1Very high74 Ų7445.2 Ų45.235%0.34622%0.215SC..Hα-helixtrans-63.4-36178.4-75.2-179.71.900113R460 T461 G462 L467 R468R460-Q464 WeakPolarHBondContact O-CG 3.39Å; R460-Q464 PolarHBondContact O-N 3.42Å; T461-Q464 PolarHBondContact O-N 3.4Å; G462-Q464 PolarHBondContact O-N 3.23Å; Q464-L467 WeakPolarHBondContact O-CB 3.34Å; Q464-L467 PolarHBondContact O-N 2.84Å; Q464-R468 WeakPolarHBondContact O-CG 3.2Å; Q464-R468 PolarHBondContact O-N 3.37Å; Q464-R468 VanDerWaalsContact O-N 3.14Å
465I95.1Very high95.4Very high1 Ų147.9 Ų47.91%0.00522%0.219CC..Hα-helixtrans-68-44.2177-75.8173.9000110.6I121 E124 K128 F138 T461 G462 V463 L467 R468 A469I121-I465 HydrophobicContact CG2-CG2 4.37Å; E124-I465 HydrophobicContact CB-CB 4.49Å; E124-I465 HydrophobicContact CB-CD1 3.76Å; E124-I465 HydrophobicContact CB-CG1 3.76Å; E124-I465 HydrophobicContact CB-CG2 4Å; K128-I465 HydrophobicContact CB-CD1 4.42Å; K128-I465 HydrophobicContact CG-CD1 3.74Å; F138-I465 HydrophobicContact CD2-CD1 4.3Å; F138-I465 HydrophobicContact CE2-CB 4.25Å; F138-I465 HydrophobicContact CE2-CD1 3.34Å; F138-I465 HydrophobicContact CE2-CG1 4.27Å; F138-I465 HydrophobicContact CZ-CD1 3.92Å; F138-I465 HydrophobicContact CZ-CG2 4.43Å; T461-I465 HydrophobicContact CG2-CD1 4.27Å; T461-I465 WeakPolarHBondContact O-CG1 3.37Å; T461-I465 PolarHBondContact O-N 3.03Å; G462-I465 PolarHBondContact O-N 2.91Å; V463-I465 VanDerWaalsContact C-N 3.32Å; V463-I465 PolarHBondContact O-N 3.4Å; I465-L467 VanDerWaalsContact C-N 3.33Å; I465-L467 PolarHBondContact O-N 3.03Å; I465-R468 PolarHBondContact O-N 2.77Å; I465-A469 WeakPolarHBondContact O-CB 3.35Å; I465-A469 PolarHBondContact O-N 3.49Å
466V96Very high95.6Very high0 Ų039.3 Ų39.30%018%0.183CC..Hα-helixtrans-60.3-45.9174.6178.10000110.2V142 A145 L449 G462 V463 R468 A469 L470V142-V466 HydrophobicContact CB-CG2 4.17Å; V142-V466 HydrophobicContact CG1-CG2 3.75Å; V142-V466 HydrophobicContact CG2-CG2 4.19Å; A145-V466 HydrophobicContact CB-CB 3.86Å; A145-V466 HydrophobicContact CB-CG1 4.02Å; A145-V466 HydrophobicContact CB-CG2 3.93Å; L449-V466 HydrophobicContact CD1-CB 4.38Å; L449-V466 HydrophobicContact CD1-CG1 3.9Å; G462-V466 PolarHBondContact O-N 3.04Å; G462-V466 VanDerWaalsContact O-N 3.14Å; V463-V466 PolarHBondContact O-N 3.02Å; V466-R468 PolarHBondContact O-N 3.24Å; V466-A469 WeakPolarHBondContact O-CB 3.46Å; V466-A469 PolarHBondContact O-N 3.36Å; V466-L470 HydrophobicContact CG1-CD2 4.3Å; V466-L470 HydrophobicContact CG1-CG 4.4Å; V466-L470 WeakPolarHBondContact O-CG 3.47Å; V466-L470 PolarHBondContact O-N 3.41Å
467L94.9Very high95.7Very high48 Ų4837.7 Ų37.725%0.25117%0.174SC..Hα-helixtrans-52.5-42.2177.5-178.7156000112.5I446 L449 K450 V463 Q464 I465I446-L467 HydrophobicContact CG2-CD1 4.34Å; I446-L467 HydrophobicContact CG2-CG 4.16Å; L449-L467 HydrophobicContact CB-CB 4.43Å; L449-L467 HydrophobicContact CB-CD1 4.28Å; L449-L467 HydrophobicContact CD1-CB 4.05Å; K450-L467 HydrophobicContact CG-CD1 3.88Å; V463-L467 WeakPolarHBondContact O-CB 3.36Å; V463-L467 PolarHBondContact O-N 2.95Å; Q464-L467 WeakPolarHBondContact O-CB 3.34Å; Q464-L467 PolarHBondContact O-N 2.84Å; I465-L467 VanDerWaalsContact C-N 3.33Å; I465-L467 PolarHBondContact O-N 3.03Å
468R94.5Very high95.9Very high118 Ų11830.9 Ų30.945%0.44514%0.142SC..Hα-helixtrans-73-42.2176-68.8169.7-179.8-168.6-6.6112E124 Q464 I465 V466 L470 S471E124-R468 WeakPolarHBondContact OE1-CB 3.36Å; E124-R468 WeakPolarHBondContact OE1-CD 3.36Å; E124-R468 WeakPolarHBondContact OE2-CD 3.4Å; E124-R468 IonicContact OE2-CZ 3.73Å; E124-R468 IonicContact OE2-NE 3.84Å; E124-R468 IonicContact OE2-NH1 2.83Å; E124-R468 PolarHBondContact OE2-NH1 3.08Å; Q464-R468 WeakPolarHBondContact O-CG 3.2Å; Q464-R468 PolarHBondContact O-N 3.37Å; Q464-R468 VanDerWaalsContact O-N 3.14Å; I465-R468 PolarHBondContact O-N 2.77Å; V466-R468 PolarHBondContact O-N 3.24Å; R468-L470 PolarHBondContact O-N 2.84Å; R468-S471 PolarHBondContact O-N 3.26Å; R468-S471 PolarHBondContact O-OG 3.33Å
469A96.5Very high96.1Very high1 Ų134.2 Ų34.21%0.00816%0.156CC..Hα-helixtrans-59.3-33.818000000112.3L117 A120 I121 I465 V466 S471 T472L117-A469 HydrophobicContact CD2-CB 4.49Å; L117-A469 WeakPolarHBondContact CD2-O 3.2Å; A120-A469 HydrophobicContact CB-CB 4.03Å; I121-A469 HydrophobicContact CD1-CB 4.48Å; I121-A469 HydrophobicContact CG1-CB 3.78Å; I465-A469 WeakPolarHBondContact O-CB 3.35Å; I465-A469 PolarHBondContact O-N 3.49Å; V466-A469 WeakPolarHBondContact O-CB 3.46Å; V466-A469 PolarHBondContact O-N 3.36Å; A469-S471 PolarHBondContact O-N 3.32Å; A469-S471 VanDerWaalsContact O-N 3.11Å; A469-T472 WeakPolarHBondContact O-CB 3.32Å; A469-T472 PolarHBondContact O-N 3.17Å; A469-T472 PolarHBondContact O-OG1 3.26Å
470L96.7Very high96.1Very high0 Ų033.8 Ų33.80%015%0.154CC..THydrogen-bonded Turntrans-58.3-23.5179.3-65.6-170000114.3V149 L442 C445 I446 L449 V466 R468 L527V149-L470 HydrophobicContact CG1-CD2 4.43Å; V149-L470 HydrophobicContact CG2-CD1 3.93Å; L442-L470 HydrophobicContact CB-CB 4.26Å; L442-L470 HydrophobicContact CB-CD2 4.28Å; L442-L470 HydrophobicContact CD2-CD2 4.07Å; L442-L470 WeakPolarHBondContact O-CD1 3.48Å; C445-L470 HydrophobicContact CB-CD1 4.16Å; I446-L470 HydrophobicContact CG1-CB 4.33Å; I446-L470 HydrophobicContact CG1-CD1 4.19Å; L449-L470 HydrophobicContact CD1-CD1 3.67Å; L449-L470 HydrophobicContact CD1-CG 4.41Å; V466-L470 HydrophobicContact CG1-CD2 4.3Å; V466-L470 HydrophobicContact CG1-CG 4.4Å; V466-L470 WeakPolarHBondContact O-CG 3.47Å; V466-L470 PolarHBondContact O-N 3.41Å; R468-L470 PolarHBondContact O-N 2.84Å; L470-L527 HydrophobicContact CD2-CD1 4.09Å; L470-L527 HydrophobicContact CD2-CD2 4.17Å
471S96.4Very high96.1Very high33 Ų3328.4 Ų28.423%0.23114%0.138CC..THydrogen-bonded Turntrans-84.6-13.3176.769.30000114.1R468 A469 C474 Y475R468-S471 PolarHBondContact O-N 3.26Å; R468-S471 PolarHBondContact O-OG 3.33Å; A469-S471 PolarHBondContact O-N 3.32Å; A469-S471 VanDerWaalsContact O-N 3.11Å; S471-C474 PolarHBondContact O-N 2.81Å; S471-Y475 WeakPolarHBondContact O-CB 3.24Å; S471-Y475 PolarHBondContact O-N 2.9Å
472T97.1Very high96.2Very high23 Ų2330.7 Ų30.714%0.14117%0.165CC..Hα-helixtrans-58.6-42.7-174-49.60000113.3V116 A120 A469 Y475 T476V116-T472 HydrophobicContact CB-CG2 4.02Å; V116-T472 HydrophobicContact CG2-CG2 4.1Å; A120-T472 HydrophobicContact CB-CG2 4.29Å; A120-T472 WeakPolarHBondContact CB-OG1 3.37Å; A469-T472 WeakPolarHBondContact O-CB 3.32Å; A469-T472 PolarHBondContact O-N 3.17Å; A469-T472 PolarHBondContact O-OG1 3.26Å; T472-Y475 PolarHBondContact O-N 2.53Å; T472-T476 WeakPolarHBondContact O-CB 3.28Å; T472-T476 PolarHBondContact O-N 2.73Å; T472-T476 PolarHBondContact O-OG1 2.94Å
473P97.2Very high96.2Very high4 Ų432.7 Ų32.73%0.02618%0.177CC..Hα-helixtrans-65.2-48-179.3-27.340.5000112.6M53 T113 V116 L117 L442 Y475 T476 I477M53-P473 HydrophobicContact SD-CB 4.49Å; T113-P473 HydrophobicContact CG2-CB 4.29Å; T113-P473 HydrophobicContact CG2-CG 3.94Å; V116-P473 HydrophobicContact CG2-CG 4.45Å; L117-P473 HydrophobicContact CD2-CG 3.99Å; L117-P473 HydrophobicContact CG-CG 4.18Å; L442-P473 HydrophobicContact CD1-CG 3.79Å; P473-Y475 VanDerWaalsContact C-N 3.32Å; P473-Y475 PolarHBondContact O-N 2.75Å; P473-T476 PolarHBondContact O-N 3.01Å; P473-I477 VanDerWaalsContact O-CG1 3.32Å; P473-I477 WeakPolarHBondContact O-CG1 3.44Å; P473-I477 PolarHBondContact O-N 2.95Å
474C97.2Very high96.2Very high4 Ų437.2 Ų37.23%0.02720%0.201CC..Hα-helixtrans-60.8-42.6176.3-1760000111.3L443 S471 T476 I477 A478 V489L443-C474 HydrophobicContact CD1-CB 3.9Å; L443-C474 HydrophobicContact CG-CB 4.47Å; S471-C474 PolarHBondContact O-N 2.81Å; C474-T476 PolarHBondContact O-N 3.32Å; C474-I477 PolarHBondContact O-N 3.37Å; C474-A478 WeakPolarHBondContact O-CB 3.41Å; C474-A478 PolarHBondContact O-N 2.99Å; C474-V489 HydrophobicContact CB-CG2 4.14Å
475Y97.8Very high96.3Very high97 Ų9733.9 Ų33.938%0.3819%0.186SC..Hα-helixtrans-58.1-47.1174.6-177.7-83.1000111.9S471 T472 P473 A478 H479 A485S471-Y475 WeakPolarHBondContact O-CB 3.24Å; S471-Y475 PolarHBondContact O-N 2.9Å; T472-Y475 PolarHBondContact O-N 2.53Å; P473-Y475 VanDerWaalsContact C-N 3.32Å; P473-Y475 PolarHBondContact O-N 2.75Å; Y475-A478 PolarHBondContact O-N 2.63Å; Y475-H479 HydrophobicContact CE1-CB 4.37Å; Y475-H479 VanDerWaalsContact O-CB 3.28Å; Y475-H479 WeakPolarHBondContact O-CB 3.45Å; Y475-H479 PolarHBondContact O-N 2.81Å; Y475-A485 HydrophobicContact CD1-CB 4.12Å; Y475-A485 HydrophobicContact CD2-CB 3.43Å; Y475-A485 VanDerWaalsContact CD2-CB 3.43Å; Y475-A485 HydrophobicContact CE1-CB 4.16Å; Y475-A485 HydrophobicContact CE2-CB 3.49Å; Y475-A485 VanDerWaalsContact CE2-CB 3.49Å; Y475-A485 HydrophobicContact CG-CB 3.76Å; Y475-A485 VanDerWaalsContact O-CB 3.24Å; Y475-A485 WeakPolarHBondContact O-CB 3.24Å
476T97.4Very high96.3Very high8 Ų836.9 Ų36.95%0.04921%0.207CC..Hα-helixtrans-67.6-41-176.2-54.90000111.3A50 M53 V116 T472 P473 C474 H479 N480A50-T476 HydrophobicContact CB-CG2 4.12Å; M53-T476 HydrophobicContact CB-CG2 4.08Å; M53-T476 HydrophobicContact CG-CG2 4.46Å; M53-T476 HydrophobicContact SD-CG2 3.78Å; V116-T476 HydrophobicContact CG1-CG2 4.44Å; T472-T476 WeakPolarHBondContact O-CB 3.28Å; T472-T476 PolarHBondContact O-N 2.73Å; T472-T476 PolarHBondContact O-OG1 2.94Å; P473-T476 PolarHBondContact O-N 3.01Å; C474-T476 PolarHBondContact O-N 3.32Å; T476-H479 PolarHBondContact O-N 2.9Å; T476-N480 WeakPolarHBondContact O-CB 3.45Å; T476-N480 PolarHBondContact O-N 3.1Å
477I96.9Very high96.3Very high23 Ų2340.9 Ų40.912%0.11823%0.231CC..Hα-helixtrans-59.8-48.9174.4-68.3166.6000110.6M53 P473 C474 H479 N480 A481 A503M53-I477 HydrophobicContact CG-CD1 4.5Å; M53-I477 HydrophobicContact CG-CG1 3.72Å; M53-I477 HydrophobicContact SD-CG1 3.89Å; P473-I477 VanDerWaalsContact O-CG1 3.32Å; P473-I477 WeakPolarHBondContact O-CG1 3.44Å; P473-I477 PolarHBondContact O-N 2.95Å; C474-I477 PolarHBondContact O-N 3.37Å; I477-H479 PolarHBondContact O-N 2.76Å; I477-N480 PolarHBondContact O-N 3.47Å; I477-A481 PolarHBondContact O-N 3.43Å; I477-A503 HydrophobicContact CG2-CB 3.52Å
478A97Very high96.4Very high0 Ų038.9 Ų38.90%022%0.221CC..Hα-helixtrans-65.2-38.1179.100000112.3C474 Y475 A481 G482 V483 A485 V488 Y501C474-A478 WeakPolarHBondContact O-CB 3.41Å; C474-A478 PolarHBondContact O-N 2.99Å; Y475-A478 PolarHBondContact O-N 2.63Å; A478-A481 WeakPolarHBondContact O-CB 3.3Å; A478-A481 PolarHBondContact O-N 3.34Å; A478-G482 PolarHBondContact O-N 3.01Å; A478-V483 HydrophobicContact CB-CG2 3.97Å; A478-V483 VanDerWaalsContact O-CG2 3.24Å; A478-V483 WeakPolarHBondContact O-CG2 3.49Å; A478-V483 PolarHBondContact O-N 3.41Å; A478-A485 HydrophobicContact CB-CB 3.88Å; A478-V488 HydrophobicContact CB-CB 3.99Å; A478-V488 HydrophobicContact CB-CG1 4.04Å; A478-V488 HydrophobicContact CB-CG2 4.08Å; A478-Y501 HydrophobicContact CB-CE1 4.42Å
479H97.2Very high96.5Very high109 Ų10933.8 Ų33.851%0.50520%0.203SC..Hα-helixtrans-63.2-44.9175.1177.9-89.2000111.6Y475 T476 I477 A481 G482 A485Y475-H479 HydrophobicContact CE1-CB 4.37Å; Y475-H479 VanDerWaalsContact O-CB 3.28Å; Y475-H479 WeakPolarHBondContact O-CB 3.45Å; Y475-H479 PolarHBondContact O-N 2.81Å; T476-H479 PolarHBondContact O-N 2.9Å; I477-H479 PolarHBondContact O-N 2.76Å; H479-A481 PolarHBondContact O-N 2.95Å; H479-G482 PolarHBondContact O-N 3.34Å; H479-A485 HydrophobicContact CB-CB 4.17Å
480N96.7Very high96.4Very high10 Ų1040.1 Ų40.15%0.05323%0.232CC..Hα-helixtrans-65.4-29.8176.1-71.7-11.9000112.3A50 M53 T476 I477 G482A50-N480 PolarHBondContact O-ND2 3.32Å; M53-N480 PolarHBondContact O-ND2 3.05Å; T476-N480 WeakPolarHBondContact O-CB 3.45Å; T476-N480 PolarHBondContact O-N 3.1Å; I477-N480 PolarHBondContact O-N 3.47Å; N480-G482 PolarHBondContact O-N 3.42Å
481A95.2Very high96.4Very high16 Ų1644.7 Ų44.713%0.13225%0.252CS..THydrogen-bonded Turntrans-70.1-10.9172.200000114.3K56 I477 A478 H479 V483 A503K56-A481 HydrophobicContact CB-CB 4.45Å; K56-A481 HydrophobicContact CD-CB 3.77Å; I477-A481 PolarHBondContact O-N 3.43Å; A478-A481 WeakPolarHBondContact O-CB 3.3Å; A478-A481 PolarHBondContact O-N 3.34Å; H479-A481 PolarHBondContact O-N 2.95Å; A481-V483 HydrophobicContact CB-CG2 4.37Å; A481-A503 HydrophobicContact CB-CB 4.2Å
482G95Very high96.3Very high67 Ų6743.1 Ų43.169%0.69124%0.241SC*.THydrogen-bonded Turntrans81.815.717900000114.4A478 H479 N480A478-G482 PolarHBondContact O-N 3.01Å; H479-G482 PolarHBondContact O-N 3.34Å; N480-G482 PolarHBondContact O-N 3.42Å
483V95.3Very high96.1Very high41 Ų4145.1 Ų45.125%0.24825%0.25CC..SBendtrans-104.5169178.6-61.10000111.5A478 A481 A485 V488 Y501A478-V483 HydrophobicContact CB-CG2 3.97Å; A478-V483 VanDerWaalsContact O-CG2 3.24Å; A478-V483 WeakPolarHBondContact O-CG2 3.49Å; A478-V483 PolarHBondContact O-N 3.41Å; A481-V483 HydrophobicContact CB-CG2 4.37Å; V483-A485 PolarHBondContact O-N 3.46Å; V483-V488 HydrophobicContact CG2-CG2 3.87Å; V483-Y501 HydrophobicContact CG2-CE1 4.17Å; V483-Y501 WeakPolarHBondContact CG2-OH 3.31Å
484N95.5Very high95.8Very high104 Ų10448.4 Ų48.456%0.55628%0.284SS*.  trans-71.796.5176.8-171.3-33000110.9S486 V487 V488N484-S486 VanDerWaalsContact C-N 3.35Å; N484-S486 PolarHBondContact O-N 3.22Å; N484-S486 PolarHBondContact OD1-N 3.14Å; N484-V487 HydrophobicContact CB-CB 4.27Å; N484-V487 HydrophobicContact CB-CG2 4.13Å; N484-V487 PolarHBondContact O-N 3.27Å; N484-V487 VanDerWaalsContact O-N 3.17Å; N484-V487 PolarHBondContact OD1-N 2.97Å; N484-V488 PolarHBondContact O-N 2.98Å; N484-V488 VanDerWaalsContact O-N 3.15Å
485A96.3Very high95.6Very high4 Ų451 Ų513%0.03330%0.297CS..Hα-helixtrans-58.3-39.4-174.600000114.4Y475 A478 H479 V483 V487 V488 V489Y475-A485 HydrophobicContact CD1-CB 4.12Å; Y475-A485 HydrophobicContact CD2-CB 3.43Å; Y475-A485 VanDerWaalsContact CD2-CB 3.43Å; Y475-A485 HydrophobicContact CE1-CB 4.16Å; Y475-A485 HydrophobicContact CE2-CB 3.49Å; Y475-A485 VanDerWaalsContact CE2-CB 3.49Å; Y475-A485 HydrophobicContact CG-CB 3.76Å; Y475-A485 VanDerWaalsContact O-CB 3.24Å; Y475-A485 WeakPolarHBondContact O-CB 3.24Å; A478-A485 HydrophobicContact CB-CB 3.88Å; H479-A485 HydrophobicContact CB-CB 4.17Å; V483-A485 PolarHBondContact O-N 3.46Å; A485-V487 VanDerWaalsContact C-N 3.33Å; A485-V487 PolarHBondContact O-N 3.08Å; A485-V488 PolarHBondContact O-N 3.34Å; A485-V489 WeakPolarHBondContact O-CG2 3.43Å; A485-V489 PolarHBondContact O-N 3.03Å
486S95.6Very high95.1Very high65 Ų6548.5 Ų48.546%0.45530%0.3SS..Hα-helixtrans-62.9-40.6178-63.50000111.9N484 E490N484-S486 VanDerWaalsContact C-N 3.35Å; N484-S486 PolarHBondContact O-N 3.22Å; N484-S486 PolarHBondContact OD1-N 3.14Å; S486-E490 WeakPolarHBondContact O-CG 3.42Å; S486-E490 PolarHBondContact O-N 3.22Å; S486-E490 VanDerWaalsContact O-N 3.1Å
487V96.3Very high94.6Very high84 Ų8454 Ų5451%0.50933%0.325SS..Hα-helixtrans-66.8-39.9177.8176.20000110.9N484 A485 K491N484-V487 HydrophobicContact CB-CB 4.27Å; N484-V487 HydrophobicContact CB-CG2 4.13Å; N484-V487 PolarHBondContact O-N 3.27Å; N484-V487 VanDerWaalsContact O-N 3.17Å; N484-V487 PolarHBondContact OD1-N 2.97Å; A485-V487 VanDerWaalsContact C-N 3.33Å; A485-V487 PolarHBondContact O-N 3.08Å; V487-K491 VanDerWaalsContact O-CB 3.25Å; V487-K491 WeakPolarHBondContact O-CB 3.23Å; V487-K491 PolarHBondContact O-N 3.27Å
488V96.3Very high94.3Very high6 Ų654.6 Ų54.64%0.03633%0.329CS..Hα-helixtrans-61.8-50.2176.81740000110.8A478 V483 N484 A485 E490 K491 V492 Y501A478-V488 HydrophobicContact CB-CB 3.99Å; A478-V488 HydrophobicContact CB-CG1 4.04Å; A478-V488 HydrophobicContact CB-CG2 4.08Å; V483-V488 HydrophobicContact CG2-CG2 3.87Å; N484-V488 PolarHBondContact O-N 2.98Å; N484-V488 VanDerWaalsContact O-N 3.15Å; A485-V488 PolarHBondContact O-N 3.34Å; V488-E490 PolarHBondContact O-N 3.06Å; V488-K491 PolarHBondContact O-N 3.22Å; V488-V492 HydrophobicContact CG1-CG2 4.27Å; V488-V492 WeakPolarHBondContact O-CG2 3.35Å; V488-V492 PolarHBondContact O-N 3.11Å; V488-Y501 HydrophobicContact CG1-CD1 3.58Å; V488-Y501 HydrophobicContact CG1-CD2 4.16Å; V488-Y501 HydrophobicContact CG1-CE1 4.23Å; V488-Y501 HydrophobicContact CG1-CG 3.52Å; V488-Y501 HydrophobicContact CG2-CE1 4.4Å; V488-Y501 HydrophobicContact CG2-CE2 4.49Å
489V96.1Very high94.3Very high11 Ų1157.5 Ų57.57%0.06734%0.343CS..Hα-helixtrans-57.8-50.9179.61690000111.3L443 C474 A485 K491 V492 M493L443-V489 HydrophobicContact CD2-CG1 4.13Å; C474-V489 HydrophobicContact CB-CG2 4.14Å; A485-V489 WeakPolarHBondContact O-CG2 3.43Å; A485-V489 PolarHBondContact O-N 3.03Å; V489-K491 VanDerWaalsContact C-N 3.31Å; V489-K491 PolarHBondContact O-N 3.36Å; V489-V492 PolarHBondContact O-N 3.08Å; V489-M493 HydrophobicContact CG1-CG 4.46Å; V489-M493 HydrophobicContact CG1-SD 4.02Å; V489-M493 WeakPolarHBondContact O-CB 3.34Å; V489-M493 WeakPolarHBondContact O-CG 3.26Å; V489-M493 PolarHBondContact O-N 2.87Å
490E95.4Very high94.2Very high133 Ų13352.3 Ų52.362%0.62132%0.319SS*.Hα-helixtrans-59.7-42179.1-74.4-65.5159.500111.8S486 V488 M493 G494S486-E490 WeakPolarHBondContact O-CG 3.42Å; S486-E490 PolarHBondContact O-N 3.22Å; S486-E490 VanDerWaalsContact O-N 3.1Å; V488-E490 PolarHBondContact O-N 3.06Å; E490-M493 PolarHBondContact O-N 3.25Å; E490-G494 PolarHBondContact O-N 2.97Å; E490-G494 VanDerWaalsContact O-N 3.15Å
491K95.3Very high94.2Very high97 Ų9752.4 Ų52.442%0.42232%0.319SS..Hα-helixtrans-66.1-44.1178-175.2163165.8-168.80111.8V487 V488 V489 M493 G494 M495 Y508V487-K491 VanDerWaalsContact O-CB 3.25Å; V487-K491 WeakPolarHBondContact O-CB 3.23Å; V487-K491 PolarHBondContact O-N 3.27Å; V488-K491 PolarHBondContact O-N 3.22Å; V489-K491 VanDerWaalsContact C-N 3.31Å; V489-K491 PolarHBondContact O-N 3.36Å; K491-M493 VanDerWaalsContact C-N 3.32Å; K491-M493 PolarHBondContact O-N 3.46Å; K491-G494 PolarHBondContact O-N 3.2Å; K491-M495 HydrophobicContact CD-CE 4.13Å; K491-M495 HydrophobicContact CG-CE 3.65Å; K491-M495 HydrophobicContact CG-SD 4.36Å; K491-M495 VanDerWaalsContact O-CG 3.25Å; K491-M495 WeakPolarHBondContact O-CG 3.25Å; K491-M495 PolarHBondContact O-N 3.44Å; K491-Y508 HydrophobicContact CB-CE1 3.99Å; K491-Y508 HydrophobicContact CD-CD1 4.37Å; K491-Y508 HydrophobicContact CD-CD2 4.39Å; K491-Y508 HydrophobicContact CD-CE1 3.72Å; K491-Y508 HydrophobicContact CD-CE2 3.8Å; K491-Y508 VanDerWaalsContact CD-CZ 3.43Å; K491-Y508 VanDerWaalsContact CE-CE2 3.49Å; K491-Y508 HydrophobicContact CG-CD1 4.23Å; K491-Y508 HydrophobicContact CG-CE1 3.62Å; K491-Y508 VanDerWaalsContact NZ-CD2 3.35Å
492V95.1Very high94.3Very high0 Ų052.5 Ų52.50%032%0.317CS..Hα-helixtrans-64.1-37.4176.1173.80000111.3T440 L443 R444 V488 V489 G494 M495 Y508T440-V492 HydrophobicContact CG2-CG1 4.16Å; L443-V492 HydrophobicContact CD1-CB 4.1Å; L443-V492 HydrophobicContact CD1-CG1 3.66Å; R444-V492 PolarHBondContact NH1-O 2.94Å; R444-V492 PolarHBondContact NH2-O 3.14Å; V488-V492 HydrophobicContact CG1-CG2 4.27Å; V488-V492 WeakPolarHBondContact O-CG2 3.35Å; V488-V492 PolarHBondContact O-N 3.11Å; V489-V492 PolarHBondContact O-N 3.08Å; V492-G494 VanDerWaalsContact C-N 3.29Å; V492-G494 PolarHBondContact O-N 3.39Å; V492-M495 PolarHBondContact O-N 2.66Å; V492-Y508 HydrophobicContact CG2-CD1 4.3Å; V492-Y508 HydrophobicContact CG2-CE1 3.96Å
493M93.3Very high94.2Very high65 Ų6549.5 Ų49.532%0.3229%0.286SS..Hα-helixtrans-64.2-31.5175.9-76-177.763.900113.1L443 I446 V489 E490 K491L443-M493 HydrophobicContact CB-CG 4.42Å; L443-M493 HydrophobicContact CD1-CG 4.35Å; L443-M493 HydrophobicContact CD2-CG 4.01Å; L443-M493 HydrophobicContact CD2-SD 4.19Å; I446-M493 HydrophobicContact CD1-CE 3.62Å; I446-M493 HydrophobicContact CD1-CG 4.46Å; I446-M493 HydrophobicContact CD1-SD 3.82Å; I446-M493 HydrophobicContact CG2-CE 4.17Å; V489-M493 HydrophobicContact CG1-CG 4.46Å; V489-M493 HydrophobicContact CG1-SD 4.02Å; V489-M493 WeakPolarHBondContact O-CB 3.34Å; V489-M493 WeakPolarHBondContact O-CG 3.26Å; V489-M493 PolarHBondContact O-N 2.87Å; E490-M493 PolarHBondContact O-N 3.25Å; K491-M493 VanDerWaalsContact C-N 3.32Å; K491-M493 PolarHBondContact O-N 3.46Å
494G91.6Very high94.1Very high72 Ų7252.7 Ų52.774%0.74230%0.298SS*.THydrogen-bonded Turntrans-84.5-4.1177.800000115.6E490 K491 V492E490-G494 PolarHBondContact O-N 2.97Å; E490-G494 VanDerWaalsContact O-N 3.15Å; K491-G494 PolarHBondContact O-N 3.2Å; V492-G494 VanDerWaalsContact C-N 3.29Å; V492-G494 PolarHBondContact O-N 3.39Å
495M93.1Very high94Very high59 Ų5953.4 Ų53.429%0.29130%0.302SS..SBendtrans-94.4174.6-177.8-72.7174.7165.800113.2K491 V492 M499 Y508K491-M495 HydrophobicContact CD-CE 4.13Å; K491-M495 HydrophobicContact CG-CE 3.65Å; K491-M495 HydrophobicContact CG-SD 4.36Å; K491-M495 VanDerWaalsContact O-CG 3.25Å; K491-M495 WeakPolarHBondContact O-CG 3.25Å; K491-M495 PolarHBondContact O-N 3.44Å; V492-M495 PolarHBondContact O-N 2.66Å; M495-M499 HydrophobicContact CB-CB 3.64Å; M495-M499 HydrophobicContact CB-CG 4.43Å; M495-M499 HydrophobicContact CG-CB 4.42Å; M495-M499 HydrophobicContact SD-CB 4.24Å; M495-Y508 HydrophobicContact CE-CD1 3.54Å; M495-Y508 HydrophobicContact CE-CE1 4.24Å; M495-Y508 HydrophobicContact CE-CG 3.7Å; M495-Y508 HydrophobicContact SD-CD1 3.55Å; M495-Y508 VanDerWaalsContact SD-CD1 3.55Å; M495-Y508 HydrophobicContact SD-CE1 4.33Å; M495-Y508 HydrophobicContact SD-CG 4.17Å
496G87.2Confident93.8Very high44 Ų4457.8 Ų57.845%0.45433%0.325SS..  trans-64.7170.8178.100000114.4R444 N498 M499R444-G496 PolarHBondContact NE-O 3.49Å; R444-G496 PolarHBondContact NH2-O 2.98Å; G496-N498 PolarHBondContact O-N 3.42Å; G496-M499 PolarHBondContact O-N 3.46Å; G496-M499 VanDerWaalsContact O-N 3.1Å
497Q85.2Confident93.8Very high123 Ų12356.3 Ų56.358%0.57532%0.317SS*.THydrogen-bonded Turntrans-52.4-47.6-168.5-169.8174.37.200114.2R444R444-Q497 WeakPolarHBondContact CD-O 3.26Å; R444-Q497 PolarHBondContact NE-O 3.04Å
498N91.5Very high93.8Very high36 Ų3655.1 Ų55.119%0.19330%0.303CS..THydrogen-bonded Turntrans-96.3-5.4-178.8-56.2-23.9000113.8G496 G500 D510 M511 I512G496-N498 PolarHBondContact O-N 3.42Å; N498-G500 PolarHBondContact O-N 2.95Å; N498-D510 WeakPolarHBondContact CB-OD1 3.46Å; N498-D510 VanDerWaalsContact CB-OD2 3.25Å; N498-D510 WeakPolarHBondContact CB-OD2 3.49Å; N498-D510 PolarHBondContact ND2-OD2 3.14Å; N498-M511 WeakPolarHBondContact O-CB 3.36Å; N498-M511 VanDerWaalsContact O-CG 3.24Å; N498-M511 WeakPolarHBondContact O-CG 3.48Å; N498-M511 PolarHBondContact O-N 2.8Å; N498-I512 HydrophobicContact CB-CD1 4.46Å; N498-I512 HydrophobicContact CB-CG1 4.45Å
499M96.1Very high93.8Very high61 Ų6156.7 Ų56.730%0.331%0.313SS..EExtended strand (participates in β ladder)trans-73.5126-176.8-66-59.9-60.500110R444 M495 G496 V509 D510R444-M499 PolarHBondContact NH2-O 3.29Å; M495-M499 HydrophobicContact CB-CB 3.64Å; M495-M499 HydrophobicContact CB-CG 4.43Å; M495-M499 HydrophobicContact CG-CB 4.42Å; M495-M499 HydrophobicContact SD-CB 4.24Å; G496-M499 PolarHBondContact O-N 3.46Å; G496-M499 VanDerWaalsContact O-N 3.1Å; M499-V509 CarbonylContact C-O 3.59Å; M499-V509 WeakPolarHBondContact CA-O 3.48Å; M499-D510 HydrophobicContact SD-CB 4.1Å
500G96.2Very high93.8Very high0 Ų057.7 Ų57.70%032%0.318CS..EExtended strand (participates in β ladder)trans-141.4-165.7-179.500000112.1N498 Y508 V509 M511N498-G500 PolarHBondContact O-N 2.95Å; G500-Y508 VanDerWaalsContact O-CA 3.25Å; G500-Y508 WeakPolarHBondContact O-CA 3.44Å; G500-V509 PolarHBondContact N-O 2.98Å; G500-V509 PolarHBondContact O-N 3.02Å; G500-V509 VanDerWaalsContact O-N 3.15Å; G500-M511 VanDerWaalsContact CA-SD 3.55Å
501Y97Very high93.7Very high12 Ų1251.3 Ų51.35%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-114.6116.7-179.1176.6-109.8000110.4A478 V483 V488 A503 D506 Y508A478-Y501 HydrophobicContact CB-CE1 4.42Å; V483-Y501 HydrophobicContact CG2-CE1 4.17Å; V483-Y501 WeakPolarHBondContact CG2-OH 3.31Å; V488-Y501 HydrophobicContact CG1-CD1 3.58Å; V488-Y501 HydrophobicContact CG1-CD2 4.16Å; V488-Y501 HydrophobicContact CG1-CE1 4.23Å; V488-Y501 HydrophobicContact CG1-CG 3.52Å; V488-Y501 HydrophobicContact CG2-CE1 4.4Å; V488-Y501 HydrophobicContact CG2-CE2 4.49Å; Y501-A503 HydrophobicContact CD1-CB 4.14Å; Y501-A503 HydrophobicContact CE1-CB 3.8Å; Y501-A503 PolarHBondContact O-N 2.92Å; Y501-D506 VanDerWaalsContact CE2-OD1 3.26Å; Y501-D506 WeakPolarHBondContact CE2-OD1 3.32Å; Y501-D506 VanDerWaalsContact CZ-OD1 3.29Å; Y501-D506 PolarHBondContact OH-OD1 3.2Å; Y501-Y508 HydrophobicContact CD2-CD1 4.43Å; Y501-Y508 HydrophobicContact CD2-CD2 4.44Å; Y501-Y508 HydrophobicContact CD2-CE1 4.1Å; Y501-Y508 HydrophobicContact CD2-CE2 4.06Å; Y501-Y508 AromaticContact CD2-CZ 3.88Å; Y501-Y508 HydrophobicContact CE2-CE2 4.45Å
502D96Very high93.5Very high19 Ų1948.6 Ų48.610%0.10228%0.278CS..EExtended strand (participates in β ladder)trans-80.6100169.8179-7.3000109.2Q504 N505 D506 A507 V509 I516D502-Q504 PolarHBondContact O-N 3.11Å; D502-Q504 WeakPolarHBondContact OD1-CA 3.47Å; D502-Q504 VanDerWaalsContact OD1-CB 3.3Å; D502-Q504 WeakPolarHBondContact OD1-CB 3.44Å; D502-Q504 PolarHBondContact OD1-N 3.33Å; D502-N505 PolarHBondContact OD1-N 3.41Å; D502-N505 VanDerWaalsContact OD1-N 3.17Å; D502-N505 WeakPolarHBondContact OD2-CB 3.38Å; D502-N505 PolarHBondContact OD2-ND2 3.01Å; D502-D506 VanDerWaalsContact O-CA 3.31Å; D502-D506 WeakPolarHBondContact O-CA 3.47Å; D502-D506 PolarHBondContact O-N 2.8Å; D502-A507 PolarHBondContact N-O 3.33Å; D502-A507 PolarHBondContact O-N 3.18Å; D502-V509 HydrophobicContact CB-CG2 3.93Å; D502-I516 HydrophobicContact CB-CD1 3.68Å
503A94.8Very high93.3Very high4 Ų456.6 Ų56.63%0.03332%0.315CS..THydrogen-bonded Turntrans-69.8-18.2-179.500000114.2P55 K56 I477 A481 Y501P55-A503 HydrophobicContact CG-CB 4.01Å; K56-A503 WeakPolarHBondContact CD-O 3.3Å; K56-A503 WeakPolarHBondContact CE-O 3.38Å; K56-A503 PolarHBondContact NZ-O 3.32Å; K56-A503 VanDerWaalsContact NZ-O 3.15Å; I477-A503 HydrophobicContact CG2-CB 3.52Å; A481-A503 HydrophobicContact CB-CB 4.2Å; Y501-A503 HydrophobicContact CD1-CB 4.14Å; Y501-A503 HydrophobicContact CE1-CB 3.8Å; Y501-A503 PolarHBondContact O-N 2.92Å
504Q92.4Very high93.2Very high107 Ų10755.8 Ų55.850%0.532%0.319SS..THydrogen-bonded Turntrans-74.6-50.6176.7-177.266.71.900109.9P55 D502P55-Q504 HydrophobicContact CB-CB 4.23Å; P55-Q504 HydrophobicContact CG-CB 4.14Å; D502-Q504 PolarHBondContact O-N 3.11Å; D502-Q504 WeakPolarHBondContact OD1-CA 3.47Å; D502-Q504 VanDerWaalsContact OD1-CB 3.3Å; D502-Q504 WeakPolarHBondContact OD1-CB 3.44Å; D502-Q504 PolarHBondContact OD1-N 3.33Å
505N92.6Very high93.1Very high120 Ų12052.6 Ų52.664%0.64229%0.286SS*.THydrogen-bonded Turntrans-95.9-2.7-175.8-61.7-52.7000114.5D502D502-N505 PolarHBondContact OD1-N 3.41Å; D502-N505 VanDerWaalsContact OD1-N 3.17Å; D502-N505 WeakPolarHBondContact OD2-CB 3.38Å; D502-N505 PolarHBondContact OD2-ND2 3.01Å
506D93.2Very high93Very high95 Ų9551 Ų5151%0.50828%0.278SS..THydrogen-bonded Turntrans56.946.6-178-164.421.9000112.8Y501 D502Y501-D506 VanDerWaalsContact CE2-OD1 3.26Å; Y501-D506 WeakPolarHBondContact CE2-OD1 3.32Å; Y501-D506 VanDerWaalsContact CZ-OD1 3.29Å; Y501-D506 PolarHBondContact OH-OD1 3.2Å; D502-D506 VanDerWaalsContact O-CA 3.31Å; D502-D506 WeakPolarHBondContact O-CA 3.47Å; D502-D506 PolarHBondContact O-N 2.8Å
507A95.4Very high93.3Very high35 Ų3548.9 Ų48.929%0.28926%0.257SS..EExtended strand (participates in β ladder)trans-132.6154.2-174.900000112.2D502 V509D502-A507 PolarHBondContact N-O 3.33Å; D502-A507 PolarHBondContact O-N 3.18Å; A507-V509 HydrophobicContact CB-CG1 4.11Å
508Y96Very high93.8Very high59 Ų5945 Ų4523%0.23124%0.24CC..EExtended strand (participates in β ladder)trans-98.6118.8171.3-66-94.8000108.8K491 V492 M495 G500 Y501K491-Y508 HydrophobicContact CB-CE1 3.99Å; K491-Y508 HydrophobicContact CD-CD1 4.37Å; K491-Y508 HydrophobicContact CD-CD2 4.39Å; K491-Y508 HydrophobicContact CD-CE1 3.72Å; K491-Y508 HydrophobicContact CD-CE2 3.8Å; K491-Y508 VanDerWaalsContact CD-CZ 3.43Å; K491-Y508 VanDerWaalsContact CE-CE2 3.49Å; K491-Y508 HydrophobicContact CG-CD1 4.23Å; K491-Y508 HydrophobicContact CG-CE1 3.62Å; K491-Y508 VanDerWaalsContact NZ-CD2 3.35Å; V492-Y508 HydrophobicContact CG2-CD1 4.3Å; V492-Y508 HydrophobicContact CG2-CE1 3.96Å; M495-Y508 HydrophobicContact CE-CD1 3.54Å; M495-Y508 HydrophobicContact CE-CE1 4.24Å; M495-Y508 HydrophobicContact CE-CG 3.7Å; M495-Y508 HydrophobicContact SD-CD1 3.55Å; M495-Y508 VanDerWaalsContact SD-CD1 3.55Å; M495-Y508 HydrophobicContact SD-CE1 4.33Å; M495-Y508 HydrophobicContact SD-CG 4.17Å; G500-Y508 VanDerWaalsContact O-CA 3.25Å; G500-Y508 WeakPolarHBondContact O-CA 3.44Å; Y501-Y508 HydrophobicContact CD2-CD1 4.43Å; Y501-Y508 HydrophobicContact CD2-CD2 4.44Å; Y501-Y508 HydrophobicContact CD2-CE1 4.1Å; Y501-Y508 HydrophobicContact CD2-CE2 4.06Å; Y501-Y508 AromaticContact CD2-CZ 3.88Å; Y501-Y508 HydrophobicContact CE2-CE2 4.45Å
509V96.1Very high93.9Very high38 Ų3843.3 Ų43.323%0.2323%0.231CC..EExtended strand (participates in β ladder)trans-136.8162.3-169.4-61.80000110.4M499 G500 D502 A507 M511 A514 I516M499-V509 CarbonylContact C-O 3.59Å; M499-V509 WeakPolarHBondContact CA-O 3.48Å; G500-V509 PolarHBondContact N-O 2.98Å; G500-V509 PolarHBondContact O-N 3.02Å; G500-V509 VanDerWaalsContact O-N 3.15Å; D502-V509 HydrophobicContact CB-CG2 3.93Å; A507-V509 HydrophobicContact CB-CG1 4.11Å; V509-M511 HydrophobicContact CG2-SD 4.14Å; V509-M511 PolarHBondContact O-N 2.83Å; V509-A514 HydrophobicContact CB-CB 4.26Å; V509-A514 HydrophobicContact CG2-CB 3.69Å; V509-I516 HydrophobicContact CG2-CD1 4.41Å
510D95.5Very high93.9Very high32 Ų3240.4 Ų40.417%0.17122%0.217CC..EExtended strand (participates in β ladder)trans-69.2117.2161.3-174.3-51.5000107.7N498 M499 I512 E513 A514N498-D510 WeakPolarHBondContact CB-OD1 3.46Å; N498-D510 VanDerWaalsContact CB-OD2 3.25Å; N498-D510 WeakPolarHBondContact CB-OD2 3.49Å; N498-D510 PolarHBondContact ND2-OD2 3.14Å; M499-D510 HydrophobicContact SD-CB 4.1Å; D510-I512 VanDerWaalsContact C-N 3.28Å; D510-I512 PolarHBondContact O-N 3.25Å; D510-I512 PolarHBondContact OD1-N 2.92Å; D510-E513 HydrophobicContact CB-CB 4.02Å; D510-E513 HydrophobicContact CB-CG 3.99Å; D510-E513 PolarHBondContact O-N 3.08Å; D510-E513 PolarHBondContact OD1-N 3.29Å; D510-E513 VanDerWaalsContact OD1-N 3.13Å; D510-A514 VanDerWaalsContact O-CB 3.23Å; D510-A514 WeakPolarHBondContact O-CB 3.34Å; D510-A514 PolarHBondContact O-N 3.06Å
511M94.4Very high93.9Very high0 Ų042 Ų420%022%0.223CC..THydrogen-bonded Turntrans-65.7-32.8-173-62.2-60.7-8000112P436 G437 N498 G500 V509 G515 I516P436-M511 HydrophobicContact CB-CB 4.07Å; P436-M511 HydrophobicContact CB-CG 4.5Å; G437-M511 WeakPolarHBondContact O-CE 3.12Å; N498-M511 WeakPolarHBondContact O-CB 3.36Å; N498-M511 VanDerWaalsContact O-CG 3.24Å; N498-M511 WeakPolarHBondContact O-CG 3.48Å; N498-M511 PolarHBondContact O-N 2.8Å; G500-M511 VanDerWaalsContact CA-SD 3.55Å; V509-M511 HydrophobicContact CG2-SD 4.14Å; V509-M511 PolarHBondContact O-N 2.83Å; M511-G515 PolarHBondContact O-N 3.35Å; M511-I516 HydrophobicContact CE-CB 3.65Å; M511-I516 HydrophobicContact CE-CD1 4.06Å; M511-I516 HydrophobicContact CE-CG1 4.47Å; M511-I516 HydrophobicContact CE-CG2 3.34Å; M511-I516 CarbonylContact O-C 3.48Å; M511-I516 WeakPolarHBondContact O-CA 3.33Å; M511-I516 PolarHBondContact O-N 2.98Å; M511-I516 HydrophobicContact SD-CB 4.33Å; M511-I516 HydrophobicContact SD-CD1 4.17Å
512I90.5Very high93.8Very high39 Ų3941.7 Ų41.720%0.222%0.223CC..THydrogen-bonded Turntrans-74.9-45.8179.7-58.5-178.8000109.2K158 P436 N498 D510 A514 G515 I517K158-I512 HydrophobicContact CD-CD1 4.2Å; P436-I512 HydrophobicContact CG-CD1 4.3Å; P436-I512 HydrophobicContact CG-CG1 4.31Å; N498-I512 HydrophobicContact CB-CD1 4.46Å; N498-I512 HydrophobicContact CB-CG1 4.45Å; D510-I512 VanDerWaalsContact C-N 3.28Å; D510-I512 PolarHBondContact O-N 3.25Å; D510-I512 PolarHBondContact OD1-N 2.92Å; I512-A514 VanDerWaalsContact C-N 3.29Å; I512-A514 PolarHBondContact O-N 3.21Å; I512-G515 PolarHBondContact O-N 3.24Å; I512-I517 HydrophobicContact CG1-CG2 4.39Å
513E90.3Very high93.9Very high168 Ų16841.3 Ų41.379%0.78522%0.221SC*.THydrogen-bonded Turntrans-64.4-35.3177.5-63.5-175.916700112.2D510 G515D510-E513 HydrophobicContact CB-CB 4.02Å; D510-E513 HydrophobicContact CB-CG 3.99Å; D510-E513 PolarHBondContact O-N 3.08Å; D510-E513 PolarHBondContact OD1-N 3.29Å; D510-E513 VanDerWaalsContact OD1-N 3.13Å; E513-G515 PolarHBondContact O-N 3.34Å
514A91.3Very high93.9Very high49 Ų4942.8 Ų42.841%0.40523%0.226SC..THydrogen-bonded Turntrans-74.1-8174.500000113.5V509 D510 I512 I516V509-A514 HydrophobicContact CB-CB 4.26Å; V509-A514 HydrophobicContact CG2-CB 3.69Å; D510-A514 VanDerWaalsContact O-CB 3.23Å; D510-A514 WeakPolarHBondContact O-CB 3.34Å; D510-A514 PolarHBondContact O-N 3.06Å; I512-A514 VanDerWaalsContact C-N 3.29Å; I512-A514 PolarHBondContact O-N 3.21Å; A514-I516 VanDerWaalsContact C-N 3.3Å; A514-I516 HydrophobicContact CB-CD1 4.18Å; A514-I516 HydrophobicContact CB-CG1 4.12Å; A514-I516 PolarHBondContact O-N 3.26Å
515G89.3Confident94.1Very high5 Ų537.7 Ų37.75%0.05220%0.202CC..THydrogen-bonded Turntrans72.518.7-176.900000114.2I172 M511 I512 E513 I517I172-G515 WeakPolarHBondContact CD1-O 3.47Å; I172-G515 WeakPolarHBondContact CG1-O 3.11Å; M511-G515 PolarHBondContact O-N 3.35Å; I512-G515 PolarHBondContact O-N 3.24Å; E513-G515 PolarHBondContact O-N 3.34Å; G515-I517 PolarHBondContact O-N 3.39Å
516I92.8Very high94.3Very high24 Ų2432 Ų3212%0.12317%0.172CC..  trans-91.882.9175.7-49172.7000108.5I172 G437 D502 V509 M511 A514I172-I516 HydrophobicContact CD1-CB 4.5Å; I172-I516 HydrophobicContact CD1-CG1 4.32Å; I172-I516 HydrophobicContact CD1-CG2 4.49Å; G437-I516 PolarHBondContact N-O 3.35Å; D502-I516 HydrophobicContact CB-CD1 3.68Å; V509-I516 HydrophobicContact CG2-CD1 4.41Å; M511-I516 HydrophobicContact CE-CB 3.65Å; M511-I516 HydrophobicContact CE-CD1 4.06Å; M511-I516 HydrophobicContact CE-CG1 4.47Å; M511-I516 HydrophobicContact CE-CG2 3.34Å; M511-I516 CarbonylContact O-C 3.48Å; M511-I516 WeakPolarHBondContact O-CA 3.33Å; M511-I516 PolarHBondContact O-N 2.98Å; M511-I516 HydrophobicContact SD-CB 4.33Å; M511-I516 HydrophobicContact SD-CD1 4.17Å; A514-I516 VanDerWaalsContact C-N 3.3Å; A514-I516 HydrophobicContact CB-CD1 4.18Å; A514-I516 HydrophobicContact CB-CG1 4.12Å; A514-I516 PolarHBondContact O-N 3.26Å
517I93.5Very high94.5Very high1 Ų127.5 Ų27.51%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-125.1141-172.653.2175.2000110.2Q168 V169 I434 V435 I512 G515Q168-I517 HydrophobicContact CB-CD1 3.93Å; Q168-I517 HydrophobicContact CB-CG1 4.4Å; V169-I517 HydrophobicContact CG2-CD1 3.53Å; V169-I517 HydrophobicContact CG2-CG1 3.92Å; I434-I517 HydrophobicContact CB-CB 4.37Å; I434-I517 HydrophobicContact CD1-CB 4.36Å; I434-I517 HydrophobicContact CD1-CD1 3.63Å; I434-I517 HydrophobicContact CD1-CG2 4.23Å; I434-I517 HydrophobicContact CG2-CD1 4.27Å; V435-I517 WeakPolarHBondContact O-CA 3.5Å; I512-I517 HydrophobicContact CG1-CG2 4.39Å; G515-I517 PolarHBondContact O-N 3.39Å
518D94.4Very high94.6Very high41 Ų4128 Ų2822%0.21915%0.147CC..EExtended strand (participates in β ladder)trans-115.5143.5177.1-64.6-18.8000109.3I434 V435 G437 G438 T520 V523I434-D518 WeakPolarHBondContact CA-O 3.38Å; V435-D518 WeakPolarHBondContact CG2-O 3.43Å; V435-D518 PolarHBondContact N-O 3.5Å; V435-D518 PolarHBondContact O-N 3.42Å; G437-D518 VanDerWaalsContact CA-CG 3.42Å; G437-D518 WeakPolarHBondContact CA-OD2 3.5Å; G438-D518 PolarHBondContact N-OD2 3.44Å; D518-T520 PolarHBondContact O-N 2.99Å; D518-V523 HydrophobicContact CB-CG2 3.8Å
519P94.7Very high94.6Very high0 Ų026.2 Ų26.20%014%0.142CC..EExtended strand (participates in β ladder)trans-63132.7173.8-18.630.2000111.6V169 A425 A428 A429 K521 V522 V523V169-P519 HydrophobicContact CG1-CG 3.99Å; A425-P519 HydrophobicContact CB-CG 3.98Å; A425-P519 WeakPolarHBondContact O-CG 3.49Å; A428-P519 HydrophobicContact CB-CB 4.03Å; A429-P519 HydrophobicContact CB-CB 3.86Å; A429-P519 HydrophobicContact CB-CG 3.98Å; P519-K521 VanDerWaalsContact C-N 3.26Å; P519-K521 PolarHBondContact O-N 3.42Å; P519-V522 HydrophobicContact CB-CB 4.11Å; P519-V522 HydrophobicContact CB-CG2 3.79Å; P519-V522 HydrophobicContact CG-CB 4.36Å; P519-V522 HydrophobicContact CG-CG2 3.86Å; P519-V522 WeakPolarHBondContact O-CB 3.3Å; P519-V522 PolarHBondContact O-N 3.13Å; P519-V523 PolarHBondContact O-N 3.41Å
520T96.5Very high94.7Very high1 Ų124.4 Ų24.41%0.00613%0.131CC..Hα-helixtrans-58.6-40.4-179.9-58.20000111.7S157 G433 V435 D518 V522 V523 R524S157-T520 WeakPolarHBondContact CB-OG1 3.37Å; S157-T520 PolarHBondContact OG-OG1 2.81Å; G433-T520 PolarHBondContact O-N 3.28Å; G433-T520 PolarHBondContact O-OG1 3.32Å; V435-T520 HydrophobicContact CG1-CG2 4.49Å; V435-T520 WeakPolarHBondContact CG1-OG1 3.34Å; D518-T520 PolarHBondContact O-N 2.99Å; T520-V522 VanDerWaalsContact C-N 3.33Å; T520-V522 PolarHBondContact O-N 2.87Å; T520-V523 PolarHBondContact O-N 3.32Å; T520-R524 VanDerWaalsContact O-CB 3.24Å; T520-R524 WeakPolarHBondContact O-CB 3.49Å; T520-R524 PolarHBondContact O-N 2.91Å
521K95.3Very high94.7Very high32 Ų3222.9 Ų22.914%0.13912%0.122CC..Hα-helixtrans-58.5-42.9176.1-178.1176.2-176.1-172.60111.9E106 A428 E431 E432 P519 T525E106-K521 VanDerWaalsContact O-CE 3.23Å; E106-K521 WeakPolarHBondContact O-CE 3.44Å; E106-K521 PolarHBondContact O-NZ 3.08Å; A428-K521 HydrophobicContact CB-CB 4.12Å; A428-K521 HydrophobicContact CB-CD 4.02Å; A428-K521 HydrophobicContact CB-CG 4.41Å; E431-K521 IonicContact OE1-NZ 3.01Å; E431-K521 WeakPolarHBondContact OE2-CD 3.44Å; E431-K521 IonicContact OE2-NZ 2.92Å; E431-K521 PolarHBondContact OE2-NZ 2.88Å; E432-K521 HydrophobicContact CB-CB 3.96Å; E432-K521 HydrophobicContact CG-CB 3.93Å; E432-K521 WeakPolarHBondContact OE1-CG 3.48Å; P519-K521 VanDerWaalsContact C-N 3.26Å; P519-K521 PolarHBondContact O-N 3.42Å; K521-T525 WeakPolarHBondContact O-CB 3.48Å; K521-T525 PolarHBondContact O-N 3.33Å; K521-T525 PolarHBondContact O-OG1 3.15Å
522V95.6Very high94.7Very high7 Ų723.8 Ų23.84%0.04213%0.131CC..Hα-helixtrans-64-50.8179.5171.10000110.6A107 D109 A428 P519 T520 R524 T525 A526A107-V522 HydrophobicContact CB-CB 4.49Å; A107-V522 HydrophobicContact CB-CG2 3.95Å; D109-V522 HydrophobicContact CB-CG1 4.18Å; D109-V522 HydrophobicContact CB-CG2 4.02Å; A428-V522 HydrophobicContact CB-CG2 4.11Å; P519-V522 HydrophobicContact CB-CB 4.11Å; P519-V522 HydrophobicContact CB-CG2 3.79Å; P519-V522 HydrophobicContact CG-CB 4.36Å; P519-V522 HydrophobicContact CG-CG2 3.86Å; P519-V522 WeakPolarHBondContact O-CB 3.3Å; P519-V522 PolarHBondContact O-N 3.13Å; T520-V522 VanDerWaalsContact C-N 3.33Å; T520-V522 PolarHBondContact O-N 2.87Å; V522-R524 PolarHBondContact O-N 3.38Å; V522-T525 PolarHBondContact O-N 3.17Å; V522-A526 VanDerWaalsContact O-CB 3.31Å; V522-A526 WeakPolarHBondContact O-CB 3.11Å; V522-A526 PolarHBondContact O-N 3.38Å
523V96.6Very high94.9Very high11 Ų1123.2 Ų23.27%0.06713%0.13CC..Hα-helixtrans-62.6-43.4-178.9-179.70000111.5L153 V435 L442 D518 P519 T520 L527L153-V523 HydrophobicContact CD1-CG1 3.93Å; L153-V523 HydrophobicContact CD2-CG1 4.11Å; V435-V523 HydrophobicContact CG2-CG2 4Å; L442-V523 HydrophobicContact CD1-CG1 4.45Å; L442-V523 HydrophobicContact CD2-CG1 3.61Å; L442-V523 HydrophobicContact CG-CG1 3.89Å; D518-V523 HydrophobicContact CB-CG2 3.8Å; P519-V523 PolarHBondContact O-N 3.41Å; T520-V523 PolarHBondContact O-N 3.32Å; V523-L527 PolarHBondContact O-N 3.48Å
524R96.3Very high95.1Very high35 Ų3515.3 Ų15.313%0.1329%0.093CC..Hα-helixtrans-61.1-52.9176.8176.5-176.368.467.5-1.9111.5E106 V150 E432 T520 V522 L527 V528E106-R524 IonicContact OE1-NH1 2.75Å; E106-R524 IonicContact OE1-NH2 3.89Å; E106-R524 PolarHBondContact OE1-NH2 2.83Å; V150-R524 HydrophobicContact CB-CG 4.39Å; V150-R524 HydrophobicContact CG1-CG 3.75Å; V150-R524 HydrophobicContact CG2-CG 3.85Å; E432-R524 IonicContact OE1-CZ 3.19Å; E432-R524 IonicContact OE1-NE 3.96Å; E432-R524 PolarHBondContact OE1-NE 3.4Å; E432-R524 IonicContact OE1-NH2 3.26Å; E432-R524 PolarHBondContact OE1-NH2 3.15Å; E432-R524 IonicContact OE2-CZ 2.68Å; E432-R524 IonicContact OE2-NE 2.74Å; E432-R524 PolarHBondContact OE2-NE 3.33Å; E432-R524 IonicContact OE2-NH2 2.71Å; T520-R524 VanDerWaalsContact O-CB 3.24Å; T520-R524 WeakPolarHBondContact O-CB 3.49Å; T520-R524 PolarHBondContact O-N 2.91Å; V522-R524 PolarHBondContact O-N 3.38Å; R524-L527 PolarHBondContact O-N 2.84Å; R524-V528 HydrophobicContact CG-CG2 4.36Å; R524-V528 VanDerWaalsContact O-CG2 3.3Å; R524-V528 WeakPolarHBondContact O-CG2 3.33Å; R524-V528 PolarHBondContact O-N 3.06Å
525T96.5Very high95.2Very high0 Ų013 Ų130%07%0.074CC..Hα-helixtrans-62.5-46.2-175.3-56.30000110.5T103 E106 A107 K521 V522 L527 V528 D529T103-T525 HydrophobicContact CG2-CG2 4.26Å; E106-T525 HydrophobicContact CB-CG2 3.82Å; E106-T525 HydrophobicContact CG-CG2 3.84Å; A107-T525 HydrophobicContact CB-CG2 4.26Å; K521-T525 WeakPolarHBondContact O-CB 3.48Å; K521-T525 PolarHBondContact O-N 3.33Å; K521-T525 PolarHBondContact O-OG1 3.15Å; V522-T525 PolarHBondContact O-N 3.17Å; T525-L527 VanDerWaalsContact C-N 3.29Å; T525-L527 PolarHBondContact O-N 3.41Å; T525-V528 PolarHBondContact O-N 2.9Å; T525-D529 WeakPolarHBondContact CG2-OD2 3.38Å; T525-D529 WeakPolarHBondContact O-CB 3.45Å; T525-D529 PolarHBondContact O-N 2.89Å
526A97Very high95.4Very high0 Ų017.3 Ų17.30%010%0.095CC..Hα-helixtrans-56.6-40.8176.700000112.9T103 T113 A114 V522 A530T103-A526 HydrophobicContact CG2-CB 4.14Å; T113-A526 HydrophobicContact CG2-CB 4.24Å; A114-A526 HydrophobicContact CB-CB 3.91Å; V522-A526 VanDerWaalsContact O-CB 3.31Å; V522-A526 WeakPolarHBondContact O-CB 3.11Å; V522-A526 PolarHBondContact O-N 3.38Å; A526-A530 WeakPolarHBondContact O-CB 3.24Å; A526-A530 PolarHBondContact O-N 3.08Å
527L97.3Very high95.3Very high0 Ų016.6 Ų16.60%09%0.092CC..Hα-helixtrans-71-44.4177178.663.4000112.4L117 V146 V149 L442 L470 V523 R524 T525 A531L117-L527 HydrophobicContact CD1-CB 4.4Å; L117-L527 HydrophobicContact CD1-CD1 4.28Å; V146-L527 HydrophobicContact CG1-CD2 4.41Å; V146-L527 HydrophobicContact CG1-CG 4.25Å; V146-L527 HydrophobicContact CG2-CD1 4.5Å; V146-L527 HydrophobicContact CG2-CG 4.31Å; V149-L527 HydrophobicContact CB-CD2 3.94Å; V149-L527 HydrophobicContact CG1-CD2 3.41Å; V149-L527 VanDerWaalsContact CG1-CD2 3.41Å; L442-L527 HydrophobicContact CD2-CD2 4.35Å; L470-L527 HydrophobicContact CD2-CD1 4.09Å; L470-L527 HydrophobicContact CD2-CD2 4.17Å; V523-L527 PolarHBondContact O-N 3.48Å; R524-L527 PolarHBondContact O-N 2.84Å; T525-L527 VanDerWaalsContact C-N 3.29Å; T525-L527 PolarHBondContact O-N 3.41Å; L527-A531 WeakPolarHBondContact O-CB 3.41Å; L527-A531 PolarHBondContact O-N 3.17Å
528V97.1Very high95.2Very high46 Ų4616.6 Ų16.628%0.2799%0.092SC..Hα-helixtrans-63.6-48.3-177.9170.30000111V146 V150 R524 T525 G532V146-V528 HydrophobicContact CG1-CG2 3.81Å; V150-V528 HydrophobicContact CG2-CG2 3.8Å; R524-V528 HydrophobicContact CG-CG2 4.36Å; R524-V528 VanDerWaalsContact O-CG2 3.3Å; R524-V528 WeakPolarHBondContact O-CG2 3.33Å; R524-V528 PolarHBondContact O-N 3.06Å; T525-V528 PolarHBondContact O-N 2.9Å; V528-G532 WeakPolarHBondContact O-CA 3.25Å; V528-G532 PolarHBondContact O-N 3.34Å
529D96.4Very high95Very high22 Ų2216.6 Ų16.612%0.1189%0.093CC..Hα-helixtrans-65.5-46.8179.9-70.8-25.3000111.6V99 T103 T525 A531 G532 V533V99-D529 HydrophobicContact CG1-CB 4.16Å; T103-D529 WeakPolarHBondContact CA-OD2 3.46Å; T103-D529 WeakPolarHBondContact CB-OD2 3.37Å; T103-D529 PolarHBondContact N-OD2 2.91Å; T103-D529 VanDerWaalsContact N-OD2 3.1Å; T103-D529 WeakPolarHBondContact OG1-CB 3.49Å; T103-D529 PolarHBondContact OG1-OD2 3.4Å; T525-D529 WeakPolarHBondContact CG2-OD2 3.38Å; T525-D529 WeakPolarHBondContact O-CB 3.45Å; T525-D529 PolarHBondContact O-N 2.89Å; D529-A531 PolarHBondContact O-N 3.29Å; D529-G532 PolarHBondContact O-N 3.34Å; D529-V533 PolarHBondContact O-N 2.96Å
530A96.6Very high94.9Very high0 Ų017.8 Ų17.80%010%0.103CC..Hα-helixtrans-57.9-50.1178.500000111.6V99 A114 L117 A118 A526 A534V99-A530 HydrophobicContact CG1-CB 4.24Å; A114-A530 VanDerWaalsContact O-CB 3.25Å; A114-A530 WeakPolarHBondContact O-CB 3.32Å; L117-A530 HydrophobicContact CB-CB 3.67Å; A118-A530 HydrophobicContact CB-CB 4.02Å; A526-A530 WeakPolarHBondContact O-CB 3.24Å; A526-A530 PolarHBondContact O-N 3.08Å; A530-A534 WeakPolarHBondContact O-CB 3.25Å; A530-A534 PolarHBondContact O-N 3.33Å
531A96.5Very high94.7Very high0 Ų022.7 Ų22.70%013%0.126CC..Hα-helixtrans-67.3-38.6178.400000112I121 V142 V146 L527 D529 S535I121-A531 HydrophobicContact CD1-CB 3.86Å; V142-A531 HydrophobicContact CG1-CB 3.91Å; V146-A531 HydrophobicContact CG2-CB 3.46Å; V146-A531 VanDerWaalsContact CG2-CB 3.46Å; L527-A531 WeakPolarHBondContact O-CB 3.41Å; L527-A531 PolarHBondContact O-N 3.17Å; D529-A531 PolarHBondContact O-N 3.29Å; A531-S535 WeakPolarHBondContact O-CB 3.4Å; A531-S535 PolarHBondContact O-N 3.38Å; A531-S535 PolarHBondContact O-OG 2.75Å
532G95.1Very high94.6Very high18 Ų1824.5 Ų24.519%0.18614%0.14CC..Hα-helixtrans-59.3-47179.600000112.6R139 V528 D529 L536R139-G532 PolarHBondContact NH1-O 3.02Å; V528-G532 WeakPolarHBondContact O-CA 3.25Å; V528-G532 PolarHBondContact O-N 3.34Å; D529-G532 PolarHBondContact O-N 3.34Å; G532-L536 WeakPolarHBondContact O-CB 3.36Å
533V93.6Very high94.5Very high28 Ų2824.6 Ų24.617%0.1714%0.141CC..Hα-helixtrans-80.5-45.9178.6178.90000111.8L95 V99 D529 S535 L536 L537L95-V533 HydrophobicContact CB-CG1 4.07Å; V99-V533 HydrophobicContact CG2-CB 3.35Å; V99-V533 HydrophobicContact CG2-CG1 3.76Å; V99-V533 HydrophobicContact CG2-CG2 3.47Å; V99-V533 VanDerWaalsContact CG2-CG2 3.47Å; D529-V533 PolarHBondContact O-N 2.96Å; V533-S535 PolarHBondContact O-N 3.19Å; V533-L536 WeakPolarHBondContact O-CB 3.41Å; V533-L536 PolarHBondContact O-N 2.87Å; V533-L537 WeakPolarHBondContact O-CB 3.34Å; V533-L537 PolarHBondContact O-N 3.38Å
534A94.1Very high94.4Very high2 Ų228.1 Ų28.12%0.01716%0.162CC..Hα-helixtrans-62.2-42.6-177.400000112A118 I121 A122 A530 L536 L537 T538A118-A534 HydrophobicContact CB-CB 4.47Å; A118-A534 WeakPolarHBondContact O-CB 3.26Å; I121-A534 HydrophobicContact CB-CB 3.79Å; I121-A534 HydrophobicContact CG2-CB 3.69Å; A122-A534 HydrophobicContact CB-CB 4.16Å; A530-A534 WeakPolarHBondContact O-CB 3.25Å; A530-A534 PolarHBondContact O-N 3.33Å; A534-L536 PolarHBondContact O-N 2.85Å; A534-L537 PolarHBondContact O-N 2.83Å; A534-T538 VanDerWaalsContact O-CG2 3.31Å; A534-T538 WeakPolarHBondContact O-CG2 3.46Å; A534-T538 PolarHBondContact O-N 3.23Å; A534-T538 VanDerWaalsContact O-N 3.11Å; A534-T538 PolarHBondContact O-OG1 3.35Å
535S93.8Very high94.2Very high0 Ų026.9 Ų26.90%016%0.158CC..Hα-helixtrans-73.6-13.3176.769.10000113.8R139 A531 V533 T538 T539R139-S535 PolarHBondContact NH1-OG 3.41Å; A531-S535 WeakPolarHBondContact O-CB 3.4Å; A531-S535 PolarHBondContact O-N 3.38Å; A531-S535 PolarHBondContact O-OG 2.75Å; V533-S535 PolarHBondContact O-N 3.19Å; S535-T538 WeakPolarHBondContact CA-OG1 3.29Å; S535-T538 PolarHBondContact O-OG1 3.33Å; S535-T539 WeakPolarHBondContact O-CG2 3.36Å
536L93.1Very high93.9Very high95 Ų9530.5 Ų30.550%0.49718%0.177SC..Hα-helixtrans-84.1-44.7171.1-176.661.4000109.8G532 V533 A534 T538 T539G532-L536 WeakPolarHBondContact O-CB 3.36Å; V533-L536 WeakPolarHBondContact O-CB 3.41Å; V533-L536 PolarHBondContact O-N 2.87Å; A534-L536 PolarHBondContact O-N 2.85Å; L536-T538 PolarHBondContact O-N 2.85Å; L536-T539 WeakPolarHBondContact O-CB 3.39Å; L536-T539 PolarHBondContact O-N 3.4Å; L536-T539 PolarHBondContact O-OG1 3.47Å
537L91.6Very high93.3Very high10 Ų1034.9 Ų34.95%0.05220%0.2CC..Hα-helixtrans-54.9-39.7175.5171.758.1000111.5M38 V42 L95 A122 F126 V533 A534 T539 A540M38-L537 HydrophobicContact CB-CD1 4.45Å; M38-L537 HydrophobicContact CE-CD1 3.88Å; M38-L537 HydrophobicContact SD-CD1 3.59Å; M38-L537 VanDerWaalsContact SD-CD1 3.59Å; V42-L537 HydrophobicContact CG2-CD2 3.9Å; L95-L537 HydrophobicContact CD1-CB 4.49Å; L95-L537 HydrophobicContact CD1-CD1 3.7Å; L95-L537 HydrophobicContact CD1-CG 4.45Å; A122-L537 HydrophobicContact CB-CD2 4.31Å; F126-L537 HydrophobicContact CE1-CG 4.3Å; F126-L537 HydrophobicContact CE2-CD2 4.29Å; F126-L537 HydrophobicContact CE2-CG 4.25Å; F126-L537 HydrophobicContact CZ-CD1 3.84Å; F126-L537 HydrophobicContact CZ-CD2 4.08Å; F126-L537 HydrophobicContact CZ-CG 3.56Å; V533-L537 WeakPolarHBondContact O-CB 3.34Å; V533-L537 PolarHBondContact O-N 3.38Å; A534-L537 PolarHBondContact O-N 2.83Å; L537-T539 PolarHBondContact O-N 3.1Å; L537-A540 WeakPolarHBondContact O-CB 3.25Å; L537-A540 PolarHBondContact O-N 3.47Å; L537-A540 VanDerWaalsContact O-N 3.16Å
538T90.6Very high92.3Very high0 Ų038.6 Ų38.60%023%0.225CC..THydrogen-bonded Turntrans-64.4-20.2177.157.70000114F126 I129 F138 A534 S535 L536 A540F126-T538 HydrophobicContact CD1-CG2 4.02Å; F126-T538 HydrophobicContact CE1-CG2 4.26Å; I129-T538 HydrophobicContact CD1-CG2 4.41Å; I129-T538 WeakPolarHBondContact CD1-O 3.41Å; F138-T538 HydrophobicContact CE1-CG2 4.07Å; F138-T538 WeakPolarHBondContact CE1-OG1 2.99Å; A534-T538 VanDerWaalsContact O-CG2 3.31Å; A534-T538 WeakPolarHBondContact O-CG2 3.46Å; A534-T538 PolarHBondContact O-N 3.23Å; A534-T538 VanDerWaalsContact O-N 3.11Å; A534-T538 PolarHBondContact O-OG1 3.35Å; S535-T538 WeakPolarHBondContact CA-OG1 3.29Å; S535-T538 PolarHBondContact O-OG1 3.33Å; L536-T538 PolarHBondContact O-N 2.85Å; T538-A540 VanDerWaalsContact C-N 3.29Å; T538-A540 PolarHBondContact O-N 3.37Å
539T91.8Very high91.2Very high41 Ų4143.8 Ų43.825%0.25224%0.244SC..THydrogen-bonded Turntrans-80.9-6.117771.50000114.3P135 I136 R139 S535 L536 L537 E541P135-T539 HydrophobicContact CB-CG2 4.04Å; I136-T539 HydrophobicContact CD1-CG2 4.04Å; R139-T539 HydrophobicContact CB-CG2 4.42Å; S535-T539 WeakPolarHBondContact O-CG2 3.36Å; L536-T539 WeakPolarHBondContact O-CB 3.39Å; L536-T539 PolarHBondContact O-N 3.4Å; L536-T539 PolarHBondContact O-OG1 3.47Å; L537-T539 PolarHBondContact O-N 3.1Å; T539-E541 PolarHBondContact O-N 3.28Å
540A91.5Very high89.4Confident26 Ų2651 Ų5122%0.21528%0.276CS..  trans-73.7122.7-177.900000112.2R35 M38 L537 T538R35-A540 PolarHBondContact NH1-O 2.89Å; M38-A540 HydrophobicContact CE-CB 4.06Å; L537-A540 WeakPolarHBondContact O-CB 3.25Å; L537-A540 PolarHBondContact O-N 3.47Å; L537-A540 VanDerWaalsContact O-N 3.16Å; T538-A540 VanDerWaalsContact C-N 3.29Å; T538-A540 PolarHBondContact O-N 3.37Å
541E91.6Very high87.4Confident104 Ų10460.2 Ų60.249%0.48632%0.319SS..  trans-107.7-17.1174.2-16658.1-149.600112.6F30 G31 R35 T539F30-E541 CarbonylContact C-O 3.29Å; F30-E541 WeakPolarHBondContact CA-O 3.32Å; G31-E541 WeakPolarHBondContact CA-OE1 3.47Å; G31-E541 PolarHBondContact N-O 2.87Å; R35-E541 IonicContact CZ-OE2 3.56Å; R35-E541 IonicContact NH1-OE1 3.93Å; R35-E541 IonicContact NH1-OE2 2.63Å; R35-E541 PolarHBondContact NH1-OE2 3.23Å; R35-E541 IonicContact NH2-OE2 2.66Å; T539-E541 PolarHBondContact O-N 3.28Å
542T93.6Very high84.9Confident69 Ų6965.8 Ų65.842%0.42335%0.354SS..EExtended strand (participates in β ladder)trans-143.8135.4-179.7-55.70000109.7V28 K29 F30 V544V28-T542 HydrophobicContact CG1-CG2 3.5Å; K29-T542 WeakPolarHBondContact O-CA 3.45Å; F30-T542 HydrophobicContact CD1-CG2 3.72Å; F30-T542 VanDerWaalsContact CD1-OG1 3.28Å; F30-T542 WeakPolarHBondContact CD1-OG1 3.4Å; F30-T542 HydrophobicContact CE1-CG2 3.53Å; F30-T542 HydrophobicContact CZ-CG2 4.32Å; T542-V544 HydrophobicContact CG2-CG2 4.42Å
543V94.1Very high82.1Confident10 Ų1068.1 Ų68.16%0.06138%0.378CS..EExtended strand (participates in β ladder)trans-123.5130.2177.1-178.60000108.8V28 K29 A34 M38 F88 I91 T545V28-V543 WeakPolarHBondContact CA-O 3.25Å; K29-V543 PolarHBondContact N-O 3.4Å; K29-V543 PolarHBondContact O-N 3.22Å; A34-V543 HydrophobicContact CB-CB 4.22Å; A34-V543 HydrophobicContact CB-CG2 3.83Å; M38-V543 HydrophobicContact CE-CG2 3.66Å; M38-V543 HydrophobicContact CG-CG2 4.46Å; M38-V543 HydrophobicContact SD-CG2 3.58Å; M38-V543 VanDerWaalsContact SD-CG2 3.58Å; F88-V543 HydrophobicContact CD1-CB 3.95Å; F88-V543 HydrophobicContact CD1-CG1 3.61Å; F88-V543 HydrophobicContact CE1-CB 4.05Å; F88-V543 HydrophobicContact CE1-CG1 3.9Å; I91-V543 HydrophobicContact CD1-CG1 3.46Å; I91-V543 VanDerWaalsContact CD1-CG1 3.46Å; V543-T545 HydrophobicContact CG1-CG2 4.27Å
544V94.4Very high79.3Confident85 Ų8571.1 Ų71.152%0.51541%0.406SS..EExtended strand (participates in β ladder)trans-116.5123.7-178.7-176.60000108.6K26 E27 V28 T542K26-V544 HydrophobicContact CB-CG1 3.83Å; K26-V544 HydrophobicContact CD-CG1 4.28Å; K26-V544 HydrophobicContact CG-CG1 4.07Å; E27-V544 WeakPolarHBondContact O-CA 3.48Å; V28-V544 HydrophobicContact CG1-CG2 4.24Å; V28-V544 HydrophobicContact CG2-CG1 4.32Å; V28-V544 HydrophobicContact CG2-CG2 4.2Å; T542-V544 HydrophobicContact CG2-CG2 4.42Å
545T92.9Very high76.6Confident9 Ų979.1 Ų79.16%0.05545%0.448CS..EExtended strand (participates in β ladder)trans-123159.9178.558.90000110.5K26 E27 K87 F88 I91 V543K26-T545 CarbonylContact C-O 3.4Å; K26-T545 WeakPolarHBondContact CA-O 3.37Å; K26-T545 WeakPolarHBondContact CB-O 3.25Å; K26-T545 WeakPolarHBondContact CD-O 3.21Å; E27-T545 PolarHBondContact N-O 3.39Å; E27-T545 PolarHBondContact O-N 3.04Å; E27-T545 PolarHBondContact O-OG1 2.96Å; K87-T545 HydrophobicContact CB-CG2 3.62Å; F88-T545 HydrophobicContact CD1-CG2 3.96Å; F88-T545 HydrophobicContact CD2-CG2 4.42Å; F88-T545 HydrophobicContact CE1-CG2 3.84Å; F88-T545 HydrophobicContact CE2-CG2 4.31Å; F88-T545 HydrophobicContact CG-CG2 4.24Å; F88-T545 HydrophobicContact CZ-CG2 4.02Å; F88-T545 WeakPolarHBondContact CZ-OG1 3.33Å; I91-T545 HydrophobicContact CD1-CG2 3.59Å; V543-T545 HydrophobicContact CG1-CG2 4.27Å
546D89.9Confident73.9Confident75 Ų7583.8 Ų83.840%0.40149%0.487SS..EExtended strand (participates in β ladder)trans-67.7136.2164.6-75.5-47.8000109.7K26K26-D546 WeakPolarHBondContact CD-OD1 3.27Å; K26-D546 WeakPolarHBondContact CE-OD1 3.48Å; K26-D546 IonicContact NZ-OD1 3.91Å; K26-D546 PolarHBondContact NZ-OD1 3.25Å; K26-D546 IonicContact NZ-OD2 2.64Å
547L84.6Confident71.5Confident92 Ų9284.4 Ų84.448%0.48251%0.506SS..PPolyproline II helixtrans-59.3132170-163.576.5000108.3A25 E27 K549A25-L547 HydrophobicContact CB-CB 4.19Å; A25-L547 HydrophobicContact CB-CD2 4.12Å; A25-L547 VanDerWaalsContact O-CB 3.28Å; A25-L547 WeakPolarHBondContact O-CB 3.35Å; A25-L547 PolarHBondContact O-N 3.46Å; E27-L547 HydrophobicContact CB-CD1 4.18Å; L547-K549 PolarHBondContact O-N 2.99Å
548P76.2Confident68.9Low79 Ų7987 Ų8751%0.51354%0.535SS..PPolyproline II helixtrans-51.7129.5174.7-25.433.5000109.8E550P548-E550 PolarHBondContact O-N 3.15Å
549K72.3Confident66.5Low155 Ų15596.6 Ų96.667%0.67458%0.582SS**PPolyproline II helixtrans-65.2123.5171.9-66.9179-175.7171.80106.9L547 E551L547-K549 PolarHBondContact O-N 2.99Å; K549-E551 PolarHBondContact O-N 3.32Å
550E60.2Low64Low173 Ų17398.5 Ų98.581%0.80861%0.61SS**PPolyproline II helixtrans-58.4123.7158.2-68.5-175.5169.100106.6P548 T552P548-E550 PolarHBondContact O-N 3.15Å; E550-T552 PolarHBondContact O-N 3.42Å
551E53.7Low61.5Low193 Ų193101 Ų10190%0.90264%0.638SS**  trans-64.882.8168.9-71.3-172.5173.900107.6K549 G553K549-E551 PolarHBondContact O-N 3.32Å; E551-G553 PolarHBondContact O-N 3.1Å
552T43.5Very low59.3Low118 Ų118105.7 Ų105.772%0.72466%0.662SS**  trans-63.6108.4160.541.70000105.4E550 A554E550-T552 PolarHBondContact O-N 3.42Å; T552-A554 VanDerWaalsContact C-N 3.29Å; T552-A554 PolarHBondContact O-N 3.49Å
553G36.3Very low56.9Low67 Ų67106.5 Ų106.569%0.69168%0.684SS**  trans-5291.6-178.800000111.2E551 N555E551-G553 PolarHBondContact O-N 3.1Å; G553-N555 PolarHBondContact O-N 3.33Å
554A34.9Very low54.4Low91 Ų91109.4 Ų109.475%0.75272%0.716SS**SBendtrans-76.673.5166.700000106.9T552T552-A554 VanDerWaalsContact C-N 3.29Å; T552-A554 PolarHBondContact O-N 3.49Å
555N38.8Very low52Low170 Ų170115 Ų11591%0.90974%0.739SS**  trans-174.459.3159-87-20.5000109.2G553G553-N555 PolarHBondContact O-N 3.33Å
556A37.3Very low49.6Very low98 Ų98118.5 Ų118.581%0.8178%0.777SS**  trans-134.24.6164.200000113.2G558A556-G558 PolarHBondContact O-N 3.49Å
557A41.6Very low47.6Very low108 Ų108118.8 Ų118.889%0.89380%0.798SS**SBendtrans-95.997.9175.900000110.4
558G37.9Very low45.9Very low64 Ų64124.1 Ų124.166%0.6682%0.823SS**SBendtrans99.178.1154.600000115.4A556A556-G558 PolarHBondContact O-N 3.49Å
559M39.1Very low44.8Very low201 Ų201124.1 Ų124.199%0.9984%0.837SS**  trans-16087.3146.3-127.463.3158.100107.6
560G40.9Very low44Very low82 Ų82120.1 Ų120.185%0.84584%0.84SS**SBendtrans-177.891.5-179.300000112.3
561G38.9Very low43.4Very low77 Ų77120.7 Ų120.779%0.79485%0.845SS**  trans93.870.8151.900000117.3
562M43.6Very low42.6Very low204 Ų204124.1 Ų124.1100%1.00586%0.864SS**  trans-147.478149.1-134.7145176.300110.1
563G43.4Very low42.6Very low85 Ų85124.5 Ų124.588%0.87687%0.871SS**  trans-110.8118.5164.800000108.3
564G41.7Very low42.9Very low71 Ų71127.5 Ų127.573%0.73288%0.881SS**  trans144.569.5167.500000115.4
565M43.8Very low43.3Very low202 Ų202129.5 Ų129.5100%0.99589%0.888SS**  trans-177.4124.4138.6-118.1146.816300111.3
566G43.4Very low43.6Very low84 Ų84127.1 Ų127.187%0.86689%0.886SS**  trans137.9106163.200000113.1
567G48.2Very low44Very low81 Ų81128.9 Ų128.984%0.83589%0.891SS**  trans163.757.4170.700000114G569G567-G569 PolarHBondContact O-N 3.11Å
568M48.4Very low44.2Very low204 Ų204130.3 Ų130.3100%1.00589%0.891SS**  trans-71.2116.6171.4-159.1164.8172.500108.3
569G53.6Low44.6Very low79 Ų79135.1 Ų135.181%0.81491%0.908SS**  trans-113.1127172.700000109.8G567G567-G569 PolarHBondContact O-N 3.11Å
570G54.6Low45Very low71 Ų71130 Ų13073%0.73290%0.901SS**  trans156.682166.600000113.2
571M47Very low45.4Very low185 Ų185134 Ų13491%0.91191%0.906SS**  174.4126.3114.9-96.3164.9168.800111.8
572M38.1Very low46Very low265 Ų265139.2 Ų139.2100%1.30592%0.916SS**  trans75.90168.8-59.1-166-175.900118.3

Retrieved 572 of 572 residues in 677.5 ms (Link to these results)

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