A0A077ZNP9_TRITR Loading...

ATP-dependent RNA helicase SUV3 homolog, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZNP9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 712 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
1M27.6Very low25.7Very low239 Ų239172.8 Ų172.8100%1.17784%0.839SS**  0126.70-93.7-175.1-168.200108.2
2W27.4Very low25.7Very low237 Ų237167.2 Ų167.290%0.89883%0.83SS**  trans123.2127.3173.8-88.369.4000109.5
3L25.5Very low25.8Very low108 Ų108160.3 Ų160.357%0.56581%0.808SS**  cis-166.7149.7-22.1-134.2133.2000104.3N5L3-N5 PolarHBondContact O-N 3.31Å
4F25.2Very low25.9Very low182 Ų182160.1 Ų160.180%0.79881%0.809SS**  trans-1.4115163.7-79.3-105000117
5N30.7Very low25.9Very low170 Ų170161.2 Ų161.291%0.90981%0.807SS**  trans-117.8120.4148.4-131.2-14.3000109.1L3L3-N5 PolarHBondContact O-N 3.31Å
6R24.3Very low26.1Very low220 Ų220158.9 Ų158.983%0.8380%0.797SS**  trans-75141-175.4-77.1175166-173-3.1110.6
7R22Very low26.1Very low246 Ų246155.6 Ų155.693%0.92879%0.787SS**  trans37.2107.7143.2-69.2-178173.8178.4-2.7117.2
8A26.1Very low26.3Very low93 Ų93158.1 Ų158.177%0.76979%0.785SS**  trans-151.5121.7143.500000110.7
9V25.3Very low26.9Very low113 Ų113158.8 Ų158.869%0.68578%0.778SS**  trans75.586.3149.4-161.90000118.1Y11V9-Y11 HydrophobicContact CG1-CD2 3.04Å; V9-Y11 HydrophobicContact CG1-CE2 3.33Å; V9-Y11 HydrophobicContact CG1-CG 4.04Å
10G22.7Very low27.5Very low81 Ų81156.3 Ų156.384%0.83576%0.763SS**  trans-84.998149.200000109.6
11Y26.4Very low28.2Very low212 Ų212151.7 Ų151.783%0.83174%0.741SS**  trans-100.485.8153.3-77.2-69.6000106.6V9 S13V9-Y11 HydrophobicContact CG1-CD2 3.04Å; V9-Y11 HydrophobicContact CG1-CE2 3.33Å; V9-Y11 HydrophobicContact CG1-CG 4.04Å; Y11-S13 PolarHBondContact O-N 2.83Å
12S25.8Very low29Very low105 Ų105144.1 Ų144.173%0.73471%0.712SS**  trans-71.691.9156.156.70000106L14S12-L14 VanDerWaalsContact C-N 3.33Å; S12-L14 PolarHBondContact O-N 3.32Å
13S26.5Very low30.2Very low78 Ų78137.3 Ų137.355%0.54569%0.686SS.*  trans-53.9104.7160.349.90000106.8Y11 F15Y11-S13 PolarHBondContact O-N 2.83Å; S13-F15 WeakPolarHBondContact O-CD2 3.45Å; S13-F15 PolarHBondContact O-N 2.89Å; S13-F15 WeakPolarHBondContact OG-CE2 3.47Å
14L27Very low32Very low157 Ų157137.4 Ų137.482%0.82268%0.682SS**  trans-58.393.8163.1-81.6146.3000105.7S12 I16S12-L14 VanDerWaalsContact C-N 3.33Å; S12-L14 PolarHBondContact O-N 3.32Å; L14-I16 PolarHBondContact O-N 3.49Å
15F26.7Very low34.3Very low177 Ų177131.5 Ų131.578%0.77666%0.663SS**  trans-61.395165.1-76.3-86.1000105.9S13 T17S13-F15 WeakPolarHBondContact O-CD2 3.45Å; S13-F15 PolarHBondContact O-N 2.89Å; S13-F15 WeakPolarHBondContact OG-CE2 3.47Å; F15-T17 PolarHBondContact O-N 3.31Å
16I28.3Very low36.6Very low125 Ų125125.1 Ų125.164%0.64163%0.627SS**  trans-63.794.7162.6-64.6171.9000104.4L14 R18L14-I16 PolarHBondContact O-N 3.49Å; I16-R18 HydrophobicContact CG2-CG 4.32Å; I16-R18 PolarHBondContact O-N 2.87Å
17T25.8Very low39.2Very low103 Ų103116.9 Ų116.963%0.63260%0.598SS**  trans-64.686167.743.90000107F15 R19F15-T17 PolarHBondContact O-N 3.31Å; T17-R19 VanDerWaalsContact C-N 3.3Å; T17-R19 PolarHBondContact O-N 3.07Å
18R30.1Very low41.9Very low200 Ų200109.1 Ų109.176%0.75558%0.575SS**  trans-62.397.7161.8-82.4-178.1171.7176.4-1.8106.3I16 F20I16-R18 HydrophobicContact CG2-CG 4.32Å; I16-R18 PolarHBondContact O-N 2.87Å; R18-F20 PolarHBondContact O-N 2.69Å
19R37.4Very low44.4Very low171 Ų171105 Ų10565%0.64554%0.541SS*.  trans-62.2110.5171.1-111.4178.5166.2168.7-6.8108.4T17 I21 E413T17-R19 VanDerWaalsContact C-N 3.3Å; T17-R19 PolarHBondContact O-N 3.07Å; R19-I21 PolarHBondContact O-N 3.33Å; R19-E413 IonicContact NH1-OE2 2.71Å
20F39.1Very low47.1Very low108 Ų108100.2 Ų100.247%0.47451%0.512SS..  trans-44.4136.9144.3-75.6-77.3000107.3R18 S22 K470 F511R18-F20 PolarHBondContact O-N 2.69Å; F20-S22 PolarHBondContact O-N 3.29Å; F20-K470 HydrophobicContact CE1-CD 4.42Å; F20-K470 HydrophobicContact CE2-CD 4.42Å; F20-K470 HydrophobicContact CZ-CD 3.75Å; F20-F511 HydrophobicContact CD1-CB 3.64Å; F20-F511 HydrophobicContact CD1-CG 4.26Å; F20-F511 HydrophobicContact CE1-CB 3.19Å; F20-F511 HydrophobicContact CE1-CD1 4.18Å; F20-F511 HydrophobicContact CE1-CD2 4.18Å; F20-F511 AromaticContact CE1-CG 3.61Å; F20-F511 HydrophobicContact CE1-CG 3.61Å; F20-F511 HydrophobicContact CZ-CB 4.17Å
21I43.1Very low49.8Very low61 Ų61101.2 Ų101.231%0.31350%0.501SS..  trans-18.7117.8175.9-62.3166.4000109.5R19 R23 M512R19-I21 PolarHBondContact O-N 3.33Å; I21-R23 PolarHBondContact O-N 3.44Å; I21-M512 WeakPolarHBondContact CD1-O 3.33Å
22S43.2Very low52.6Low80 Ų8093.8 Ų93.856%0.55948%0.479SS*.  trans-57.890.2171.2170.20000107F20 K24F20-S22 PolarHBondContact O-N 3.29Å; S22-K24 VanDerWaalsContact C-N 3.3Å; S22-K24 PolarHBondContact O-N 3.27Å
23R53.3Low55.4Low93 Ų9391.2 Ų91.235%0.35146%0.458SS..  trans-57.7103.2173-74.8179.2163.5-171.9-19103.9I21 S25 S503 L505 E507I21-R23 PolarHBondContact O-N 3.44Å; R23-S25 PolarHBondContact O-N 2.85Å; R23-S503 PolarHBondContact NH2-O 2.83Å; R23-S503 PolarHBondContact NH2-OG 2.89Å; R23-L505 VanDerWaalsContact NH1-CD2 3.26Å; R23-E507 IonicContact NH1-OE1 3.65Å
24K63.7Low58.2Low110 Ų11091.9 Ų91.948%0.47847%0.469SS..  trans-48.9135164.4-71.7-179.5-1781760105.3S22 F26 D28 V29 D497S22-K24 VanDerWaalsContact C-N 3.3Å; S22-K24 PolarHBondContact O-N 3.27Å; K24-F26 PolarHBondContact O-N 3.46Å; K24-D28 HydrophobicContact CB-CB 4.3Å; K24-V29 HydrophobicContact CB-CG2 3.48Å; K24-V29 VanDerWaalsContact CB-CG2 3.48Å; K24-V29 HydrophobicContact CD-CG2 4.11Å; K24-V29 HydrophobicContact CG-CG2 4.47Å; K24-D497 IonicContact NZ-OD2 3.85Å
25S73.4Confident60.9Low59 Ų5986 Ų8641%0.41344%0.439SS..  trans-52.6145.5174.91790000108.2R23 E27 D28 V29R23-S25 PolarHBondContact O-N 2.85Å; S25-E27 PolarHBondContact O-N 2.89Å; S25-E27 VanDerWaalsContact O-N 3.09Å; S25-E27 PolarHBondContact OG-N 3.25Å; S25-D28 WeakPolarHBondContact CB-OD2 3.11Å; S25-D28 WeakPolarHBondContact O-CA 3.46Å; S25-D28 WeakPolarHBondContact O-CB 3.48Å; S25-D28 PolarHBondContact O-N 3.32Å; S25-V29 PolarHBondContact O-N 3.47Å
26F78.5Confident63.4Low36 Ų3686 Ų8616%0.15844%0.442CS..Hα-helixtrans-49-37.8172.1-179.6-114.5000111K24 D28 V29 V30 F83 H136 L140 I498 S501 L502K24-F26 PolarHBondContact O-N 3.46Å; F26-D28 VanDerWaalsContact C-N 3.29Å; F26-D28 PolarHBondContact O-N 2.9Å; F26-V29 PolarHBondContact O-N 2.95Å; F26-V30 HydrophobicContact CD2-CG2 4.11Å; F26-V30 HydrophobicContact CE1-CG2 4.25Å; F26-V30 HydrophobicContact CE2-CG2 3.69Å; F26-V30 HydrophobicContact CZ-CG2 3.77Å; F26-V30 WeakPolarHBondContact O-CG2 3.48Å; F26-V30 PolarHBondContact O-N 3.06Å; F26-F83 AromaticContact CD1-CE2 3.55Å; F26-F83 HydrophobicContact CD1-CE2 3.55Å; F26-F83 AromaticContact CD1-CZ 3.83Å; F26-F83 HydrophobicContact CD1-CZ 3.83Å; F26-F83 AromaticContact CE1-CE2 3.6Å; F26-F83 HydrophobicContact CE1-CE2 3.6Å; F26-F83 AromaticContact CE1-CZ 3.91Å; F26-F83 HydrophobicContact CE1-CZ 3.91Å; F26-H136 AromaticContact CE1-CD2 3.64Å; F26-H136 AromaticContact CE1-NE2 3.51Å; F26-H136 AromaticContact CZ-CD2 3.4Å; F26-H136 VanDerWaalsContact CZ-CD2 3.4Å; F26-H136 WeakPolarHBondContact CZ-CD2 3.31Å; F26-H136 AromaticContact CZ-CG 3.97Å; F26-H136 AromaticContact CZ-NE2 3.7Å; F26-L140 HydrophobicContact CE1-CD1 4.21Å; F26-L140 HydrophobicContact CZ-CD1 4.02Å; F26-I498 HydrophobicContact CE2-CG2 3.99Å; F26-S501 WeakPolarHBondContact CD2-OG 3.36Å; F26-L502 HydrophobicContact CD1-CD2 4.29Å; F26-L502 HydrophobicContact CD2-CD1 4.43Å; F26-L502 HydrophobicContact CD2-CD2 3.52Å; F26-L502 HydrophobicContact CD2-CG 3.72Å; F26-L502 HydrophobicContact CE1-CD2 4.22Å; F26-L502 HydrophobicContact CE2-CD1 3.69Å; F26-L502 HydrophobicContact CE2-CD2 3.43Å; F26-L502 VanDerWaalsContact CE2-CD2 3.43Å; F26-L502 HydrophobicContact CE2-CG 3.47Å; F26-L502 VanDerWaalsContact CE2-CG 3.47Å; F26-L502 HydrophobicContact CG-CD2 3.97Å; F26-L502 HydrophobicContact CZ-CD1 4.15Å; F26-L502 HydrophobicContact CZ-CD2 3.81Å; F26-L502 HydrophobicContact CZ-CG 4.21Å
27E78.8Confident65.7Low46 Ų4682.2 Ų82.222%0.21543%0.426CS..Hα-helixtrans-63.1-25.3174.4-63.8-171175.500115.5S25 G81 K82 F83S25-E27 PolarHBondContact O-N 2.89Å; S25-E27 VanDerWaalsContact O-N 3.09Å; S25-E27 PolarHBondContact OG-N 3.25Å; E27-G81 WeakPolarHBondContact OE1-CA 3.3Å; E27-K82 HydrophobicContact CB-CB 4.25Å; E27-K82 HydrophobicContact CB-CD 4.37Å; E27-K82 VanDerWaalsContact OE2-CB 3.26Å; E27-K82 WeakPolarHBondContact OE2-CB 3.47Å; E27-K82 WeakPolarHBondContact OE2-CG 3.09Å; E27-K82 PolarHBondContact OE2-N 3.37Å; E27-F83 VanDerWaalsContact CA-CZ 3.43Å; E27-F83 HydrophobicContact CB-CE1 4.23Å; E27-F83 HydrophobicContact CB-CE2 4.48Å; E27-F83 HydrophobicContact CB-CZ 4.23Å; E27-F83 HydrophobicContact CG-CD1 4.48Å; E27-F83 HydrophobicContact CG-CD2 3.96Å; E27-F83 HydrophobicContact CG-CE1 4.4Å; E27-F83 HydrophobicContact CG-CE2 3.88Å; E27-F83 HydrophobicContact CG-CG 4.28Å; E27-F83 HydrophobicContact CG-CZ 4.13Å
28D79.2Confident67.6Low84 Ų8479 Ų7945%0.44941%0.408SS..Hα-helixtrans-90.8-19.2179.5-66.8-35.5000112.9K24 S25 F26 K82K24-D28 HydrophobicContact CB-CB 4.3Å; S25-D28 WeakPolarHBondContact CB-OD2 3.11Å; S25-D28 WeakPolarHBondContact O-CA 3.46Å; S25-D28 WeakPolarHBondContact O-CB 3.48Å; S25-D28 PolarHBondContact O-N 3.32Å; F26-D28 VanDerWaalsContact C-N 3.29Å; F26-D28 PolarHBondContact O-N 2.9Å; D28-K82 IonicContact OD1-NZ 3.97Å; D28-K82 PolarHBondContact OD1-NZ 3.26Å; D28-K82 IonicContact OD2-NZ 3.63Å
29V78.6Confident68.9Low7 Ų775.8 Ų75.84%0.04241%0.406CS..Hα-helixtrans-88.2-42.3-177.11640000111.6K24 S25 F26 V31 N494 D497 I498K24-V29 HydrophobicContact CB-CG2 3.48Å; K24-V29 VanDerWaalsContact CB-CG2 3.48Å; K24-V29 HydrophobicContact CD-CG2 4.11Å; K24-V29 HydrophobicContact CG-CG2 4.47Å; S25-V29 PolarHBondContact O-N 3.47Å; F26-V29 PolarHBondContact O-N 2.95Å; V29-V31 PolarHBondContact O-N 3.49Å; V29-N494 PolarHBondContact O-ND2 3.24Å; V29-N494 VanDerWaalsContact O-ND2 3.08Å; V29-D497 HydrophobicContact CB-CB 4.24Å; V29-D497 HydrophobicContact CG1-CB 3.31Å; V29-D497 HydrophobicContact CG2-CB 3.94Å; V29-I498 HydrophobicContact CG1-CB 4.49Å; V29-I498 HydrophobicContact CG1-CG1 3.68Å
30V81.3Confident69.6Low12 Ų1272.3 Ų72.37%0.07340%0.403CS..PPolyproline II helixtrans-72.5124.3-175178.10000109.7F26 F83 F134 H136 I498F26-V30 HydrophobicContact CD2-CG2 4.11Å; F26-V30 HydrophobicContact CE1-CG2 4.25Å; F26-V30 HydrophobicContact CE2-CG2 3.69Å; F26-V30 HydrophobicContact CZ-CG2 3.77Å; F26-V30 WeakPolarHBondContact O-CG2 3.48Å; F26-V30 PolarHBondContact O-N 3.06Å; V30-F83 HydrophobicContact CB-CE1 3.79Å; V30-F83 HydrophobicContact CB-CZ 3.79Å; V30-F83 HydrophobicContact CG1-CE1 4.32Å; V30-F83 HydrophobicContact CG1-CZ 4.46Å; V30-F83 HydrophobicContact CG2-CE1 4.38Å; V30-F83 HydrophobicContact CG2-CZ 3.85Å; V30-F134 HydrophobicContact CG1-CD1 3.83Å; V30-F134 HydrophobicContact CG1-CE1 4.28Å; V30-H136 WeakPolarHBondContact CG1-ND1 3.24Å; V30-I498 HydrophobicContact CG2-CD1 4.47Å; V30-I498 HydrophobicContact CG2-CG1 4.3Å
31V79.7Confident69.9Low102 Ų10271 Ų7162%0.61841%0.413SS*.PPolyproline II helixtrans-88.6125.1175.4-176.60000109.3V29V29-V31 PolarHBondContact O-N 3.49Å
32P84.1Confident70.2Confident56 Ų5673.3 Ų73.336%0.36443%0.425SS..PPolyproline II helixtrans-67.2135.7176.225.8-32.6000111.3V133 F134P32-V133 CarbonylContact C-O 3.59Å; P32-V133 WeakPolarHBondContact CA-O 3.37Å; P32-V133 HydrophobicContact CB-CG1 3.58Å; P32-F134 HydrophobicContact CB-CD1 4.47Å; P32-F134 HydrophobicContact CB-CE1 3.72Å; P32-F134 HydrophobicContact CB-CZ 3.96Å
33V85Confident70.5Confident50 Ų5076.3 Ų76.330%0.30344%0.435SS..PPolyproline II helixtrans-80.9132.2172.6-179.20000109.3V35 Q132 V133 P135V33-V35 PolarHBondContact O-N 2.98Å; V33-Q132 WeakPolarHBondContact CB-O 3.3Å; V33-V133 PolarHBondContact N-O 2.93Å; V33-P135 HydrophobicContact CG2-CG 4Å
34A85Confident70.4Confident92 Ų9276.2 Ų76.276%0.7645%0.445SS*.PPolyproline II helixtrans-69.7122.7174.500000110.6
35V85Confident69.7Low33 Ų3372.2 Ų72.220%0.243%0.429CS..PPolyproline II helixtrans-89.6122.8172.7-1770000108.5V33 F94 Q132 V133V33-V35 PolarHBondContact O-N 2.98Å; V35-F94 HydrophobicContact CG1-CD2 3.99Å; V35-F94 HydrophobicContact CG1-CE2 4.16Å; V35-Q132 VanDerWaalsContact CG1-OE1 3.32Å; V35-Q132 HydrophobicContact CG2-CB 3.68Å; V35-V133 HydrophobicContact CG2-CG2 3.65Å
36Q79.6Confident68.5Low179 Ų17973.2 Ų73.284%0.83644%0.441SS*.PPolyproline II helixtrans-73.3134.9179.6-66.1-178.5-3.300110.6F94Q36-F94 WeakPolarHBondContact O-CE2 3.46Å
37S75.8Confident67.3Low44 Ų4478.2 Ų78.231%0.30847%0.469SS..PPolyproline II helixtrans-69143.6168.852.80000110.7N39 S98S37-N39 PolarHBondContact O-N 3.37Å; S37-S98 WeakPolarHBondContact CB-OG 3.44Å
38S66.2Low66Low37 Ų3782.9 Ų82.926%0.25949%0.489SS..  trans-68111.4175.129.20000110.6V100S38-V100 PolarHBondContact OG-O 3.08Å
39N57.1Low64.8Low132 Ų13280.2 Ų80.271%0.70648%0.481SS*.  trans-98.54.2171.4-71.4-10.7000112.9S37 A41S37-N39 PolarHBondContact O-N 3.37Å; N39-A41 PolarHBondContact O-N 2.63Å
40V52.3Low63.9Low97 Ų9782 Ų8259%0.58850%0.501SS*.  trans-82.1107.1179.8-172.60000108.4N42V40-N42 PolarHBondContact O-N 3.03Å
41A46Very low63.3Low81 Ų8190.9 Ų90.967%0.66954%0.542SS*.  trans-69.678.5168.200000109.4N39N39-A41 PolarHBondContact O-N 2.63Å
42N48.5Very low63.3Low109 Ų10987.5 Ų87.558%0.58352%0.52SS*.  trans-94.3103.1159.2-78.7-6.5000106.4V40 V44V40-N42 PolarHBondContact O-N 3.03Å; N42-V44 HydrophobicContact CB-CG2 4.47Å; N42-V44 PolarHBondContact O-N 3.41Å
43D48.5Very low63.5Low144 Ų14489 Ų8977%0.7753%0.528SS*.G310 helixtrans-61.312.4-178.6-95.9-18.7000115.1N45D43-N45 PolarHBondContact O-N 3.19Å
44V51.1Low63.5Low91 Ų9193.3 Ų93.355%0.55254%0.543SS*.G310 helixtrans-74.1-16.5-176.7-163.30000112N42 F48N42-V44 HydrophobicContact CB-CG2 4.47Å; N42-V44 PolarHBondContact O-N 3.41Å; V44-F48 HydrophobicContact CG1-CE2 4.41Å
45N49.3Very low63.7Low25 Ų2595.3 Ų95.313%0.13454%0.536CS..G310 helixtrans-82.1-15.2-177.1-76.92.2000114.9D43 D47 V100 L101 V103D43-N45 PolarHBondContact O-N 3.19Å; N45-D47 PolarHBondContact O-N 2.86Å; N45-V100 HydrophobicContact CB-CG1 4.13Å; N45-V100 WeakPolarHBondContact ND2-CG1 3.48Å; N45-L101 PolarHBondContact ND2-O 3.41Å; N45-V103 WeakPolarHBondContact OD1-CG2 3.25Å
46A49.8Very low64Low81 Ų8193.9 Ų93.967%0.66953%0.529SS*.G310 helixtrans-65.4-24.417700000112.4
47D52.9Low64.6Low140 Ų14085.9 Ų85.975%0.74949%0.491SS*.G310 helixtrans-89.7-10.2-173.1-75.9-17.2000114.8N45N45-D47 PolarHBondContact O-N 2.86Å
48F52Low65.5Low144 Ų14484.9 Ų84.963%0.63249%0.486SS*.SBendtrans-113.510-168.1-74.8-76.8000116.5V44V44-F48 HydrophobicContact CG1-CE2 4.41Å
49G52.3Low66.7Low28 Ų2887.9 Ų87.929%0.28950%0.496SS..SBendtrans173.4153.4173.300000112.7
50G59.5Low68.6Low45 Ų4581.8 Ų81.846%0.46446%0.464SS..  trans-57.5153.5-177.700000113.4I52G50-I52 WeakPolarHBondContact O-CG1 3.2Å; G50-I52 PolarHBondContact O-N 2.89Å
51E69.3Low70.6Confident198 Ų19877.3 Ų77.393%0.92544%0.436SS*.  trans-53.1110.8-179.1-73.8-173.6162.800111.8
52I80.8Confident72.9Confident32 Ų3275.3 Ų75.316%0.16442%0.424CS..  trans-85.1117.9179.1-53.4-178000108.9G50 I57 H106 F109 L113G50-I52 WeakPolarHBondContact O-CG1 3.2Å; G50-I52 PolarHBondContact O-N 2.89Å; I52-I57 HydrophobicContact CG2-CD1 3.99Å; I52-I57 HydrophobicContact CG2-CG1 3.58Å; I52-H106 WeakPolarHBondContact CD1-O 3.37Å; I52-F109 HydrophobicContact CD1-CB 3.77Å; I52-F109 HydrophobicContact CG2-CB 4.4Å; I52-L113 HydrophobicContact CG2-CD1 3.83Å
53T86.7Confident75.1Confident86 Ų8675.3 Ų75.353%0.52842%0.42SS..  trans-75.9148.3176.868.40000111.5Q55 G56 I57T53-Q55 PolarHBondContact O-N 2.77Å; T53-Q55 VanDerWaalsContact O-N 3.17Å; T53-G56 PolarHBondContact O-N 3.04Å; T53-G56 VanDerWaalsContact O-N 3.08Å; T53-G56 PolarHBondContact OG1-N 2.82Å; T53-G56 VanDerWaalsContact OG1-N 3.07Å; T53-I57 PolarHBondContact O-N 3.14Å; T53-I57 VanDerWaalsContact O-N 3.13Å
54K86.9Confident77.4Confident142 Ų14268.5 Ų68.562%0.61738%0.383SS*.Hα-helixtrans-57.5-29.6172.9-68.8-168.2176.1-1610112.9A58 Q96K54-A58 PolarHBondContact O-N 2.76Å; K54-Q96 PolarHBondContact NZ-O 3.47Å
55Q88.9Confident79.4Confident133 Ų13365 Ų6562%0.62136%0.364SS*.Hα-helixtrans-69-46175.3-175.9176-14.300111.3T53 I57 A58 E59T53-Q55 PolarHBondContact O-N 2.77Å; T53-Q55 VanDerWaalsContact O-N 3.17Å; Q55-I57 VanDerWaalsContact C-N 3.32Å; Q55-I57 PolarHBondContact O-N 2.98Å; Q55-A58 WeakPolarHBondContact O-CB 3.49Å; Q55-A58 PolarHBondContact O-N 2.79Å; Q55-A58 VanDerWaalsContact O-N 3.08Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.37Å; Q55-E59 PolarHBondContact NE2-OE1 3.09Å; Q55-E59 WeakPolarHBondContact O-CG 3.37Å; Q55-E59 PolarHBondContact O-N 3.37Å
56G90.8Very high81.5Confident4 Ų467.7 Ų67.74%0.04139%0.385CS..Hα-helixtrans-58.2-42.9175.800000112.6T53 A58 E59 V60T53-G56 PolarHBondContact O-N 3.04Å; T53-G56 VanDerWaalsContact O-N 3.08Å; T53-G56 PolarHBondContact OG1-N 2.82Å; T53-G56 VanDerWaalsContact OG1-N 3.07Å; G56-A58 VanDerWaalsContact C-N 3.34Å; G56-A58 PolarHBondContact O-N 3.15Å; G56-E59 PolarHBondContact O-N 3.29Å; G56-V60 WeakPolarHBondContact O-CG2 3.27Å; G56-V60 PolarHBondContact O-N 3.43Å
57I92.5Very high83.6Confident10 Ų1067 Ų675%0.05137%0.365CS..Hα-helixtrans-58.5-46173.9-64.5170000111I52 T53 Q55 E59 V60 L61 C95 Q96 L101 F109I52-I57 HydrophobicContact CG2-CD1 3.99Å; I52-I57 HydrophobicContact CG2-CG1 3.58Å; T53-I57 PolarHBondContact O-N 3.14Å; T53-I57 VanDerWaalsContact O-N 3.13Å; Q55-I57 VanDerWaalsContact C-N 3.32Å; Q55-I57 PolarHBondContact O-N 2.98Å; I57-E59 PolarHBondContact O-N 3Å; I57-V60 PolarHBondContact O-N 3.27Å; I57-L61 HydrophobicContact CG2-CD1 3.72Å; I57-L61 HydrophobicContact CG2-CG 4.3Å; I57-L61 WeakPolarHBondContact O-CB 3.32Å; I57-L61 VanDerWaalsContact O-CG 3.23Å; I57-L61 WeakPolarHBondContact O-CG 3.21Å; I57-L61 PolarHBondContact O-N 2.94Å; I57-C95 HydrophobicContact CG2-CB 3.96Å; I57-Q96 HydrophobicContact CG2-CG 4.44Å; I57-L101 HydrophobicContact CD1-CD1 3.94Å; I57-F109 HydrophobicContact CG1-CD1 4.47Å; I57-F109 HydrophobicContact CG1-CG 4.47Å; I57-F109 HydrophobicContact CG2-CE1 4.03Å; I57-F109 HydrophobicContact CG2-CE2 4.38Å; I57-F109 HydrophobicContact CG2-CZ 3.89Å
58A93.2Very high85.6Confident24 Ų2465.1 Ų65.120%0.19836%0.359CS..Hα-helixtrans-64.4-40.2-178.700000112.7K54 Q55 G56 G62K54-A58 PolarHBondContact O-N 2.76Å; Q55-A58 WeakPolarHBondContact O-CB 3.49Å; Q55-A58 PolarHBondContact O-N 2.79Å; Q55-A58 VanDerWaalsContact O-N 3.08Å; G56-A58 VanDerWaalsContact C-N 3.34Å; G56-A58 PolarHBondContact O-N 3.15Å; A58-G62 PolarHBondContact O-N 3.35Å
59E93.3Very high87.5Confident100 Ų10062.4 Ų62.447%0.46735%0.35SS..Hα-helixtrans-64.3-49.2177.3-73173.7-167.900111.1Q55 G56 I57 L61 G62 Q63Q55-E59 WeakPolarHBondContact CG-OE1 3.37Å; Q55-E59 PolarHBondContact NE2-OE1 3.09Å; Q55-E59 WeakPolarHBondContact O-CG 3.37Å; Q55-E59 PolarHBondContact O-N 3.37Å; G56-E59 PolarHBondContact O-N 3.29Å; I57-E59 PolarHBondContact O-N 3Å; E59-L61 PolarHBondContact O-N 3.45Å; E59-G62 PolarHBondContact O-N 2.67Å; E59-Q63 WeakPolarHBondContact O-CG 3.43Å; E59-Q63 PolarHBondContact O-N 3.14Å
60V95.1Very high89.5Confident4 Ų461.1 Ų61.12%0.02434%0.336CS..Hα-helixtrans-59.7-46.5177.3170.80000111.3G56 I57 G62 Q63 F64 F109 I112 L113 V119 L122G56-V60 WeakPolarHBondContact O-CG2 3.27Å; G56-V60 PolarHBondContact O-N 3.43Å; I57-V60 PolarHBondContact O-N 3.27Å; V60-G62 VanDerWaalsContact C-N 3.33Å; V60-G62 PolarHBondContact O-N 3.28Å; V60-Q63 PolarHBondContact O-N 3.46Å; V60-F64 WeakPolarHBondContact O-CB 3.46Å; V60-F64 PolarHBondContact O-N 3.39Å; V60-F109 HydrophobicContact CB-CD1 4.08Å; V60-F109 HydrophobicContact CB-CE1 4.1Å; V60-F109 HydrophobicContact CG1-CD1 3.79Å; V60-F109 HydrophobicContact CG1-CE1 3.77Å; V60-I112 HydrophobicContact CB-CG2 4.47Å; V60-I112 HydrophobicContact CG1-CD1 4.06Å; V60-I112 HydrophobicContact CG1-CG2 3.89Å; V60-I112 HydrophobicContact CG2-CG2 3.72Å; V60-L113 HydrophobicContact CG2-CD2 3.76Å; V60-L113 HydrophobicContact CG2-CG 4.09Å; V60-V119 HydrophobicContact CG1-CG1 4.3Å; V60-L122 HydrophobicContact CG1-CD1 3.49Å; V60-L122 VanDerWaalsContact CG1-CD1 3.49Å
61L95.8Very high91.1Very high3 Ų364.6 Ų64.62%0.01634%0.335CS..Hα-helixtrans-64.8-35.9177.7-71.7173.8000112.6I57 E59 A65 M88 F91 R92 C95 F109I57-L61 HydrophobicContact CG2-CD1 3.72Å; I57-L61 HydrophobicContact CG2-CG 4.3Å; I57-L61 WeakPolarHBondContact O-CB 3.32Å; I57-L61 VanDerWaalsContact O-CG 3.23Å; I57-L61 WeakPolarHBondContact O-CG 3.21Å; I57-L61 PolarHBondContact O-N 2.94Å; E59-L61 PolarHBondContact O-N 3.45Å; L61-A65 WeakPolarHBondContact O-CB 3.42Å; L61-A65 PolarHBondContact O-N 3Å; L61-M88 HydrophobicContact CB-CE 3.96Å; L61-M88 HydrophobicContact CD2-CE 3.74Å; L61-M88 HydrophobicContact CG-CE 4.41Å; L61-F91 HydrophobicContact CD2-CD1 3.7Å; L61-F91 HydrophobicContact CD2-CE1 3.46Å; L61-F91 VanDerWaalsContact CD2-CE1 3.46Å; L61-F91 HydrophobicContact CD2-CZ 4.5Å; L61-R92 HydrophobicContact CD1-CB 4.16Å; L61-R92 HydrophobicContact CD1-CG 4.08Å; L61-C95 HydrophobicContact CD1-CB 4.12Å; L61-F109 HydrophobicContact CD1-CZ 4.48Å; L61-F109 HydrophobicContact CD2-CE1 4.24Å; L61-F109 HydrophobicContact CD2-CZ 3.97Å; L61-F109 HydrophobicContact CG-CE1 4.09Å; L61-F109 HydrophobicContact CG-CZ 4.09Å
62G93.8Very high92.2Very high39 Ų3962.1 Ų62.140%0.40232%0.322SS..Hα-helixtrans-63.2-45.2174.600000111.9A58 E59 V60 S66A58-G62 PolarHBondContact O-N 3.35Å; E59-G62 PolarHBondContact O-N 2.67Å; V60-G62 VanDerWaalsContact C-N 3.33Å; V60-G62 PolarHBondContact O-N 3.28Å; G62-S66 WeakPolarHBondContact O-CB 3.45Å; G62-S66 PolarHBondContact O-N 2.9Å; G62-S66 VanDerWaalsContact O-N 3.16Å
63Q94.7Very high92.8Very high109 Ų10963.2 Ų63.251%0.50933%0.327SS..Hα-helixtrans-61.7-50.3174.7-69179.523.800110.9E59 V60 A65 S66 R67 V119E59-Q63 WeakPolarHBondContact O-CG 3.43Å; E59-Q63 PolarHBondContact O-N 3.14Å; V60-Q63 PolarHBondContact O-N 3.46Å; Q63-A65 PolarHBondContact O-N 3.42Å; Q63-S66 PolarHBondContact O-N 3.02Å; Q63-S66 VanDerWaalsContact O-N 3.16Å; Q63-S66 PolarHBondContact O-OG 3.08Å; Q63-R67 VanDerWaalsContact O-CG 3.31Å; Q63-R67 WeakPolarHBondContact O-CG 3.46Å; Q63-R67 PolarHBondContact O-N 3.17Å; Q63-V119 HydrophobicContact CB-CG1 4.12Å
64F96.2Very high93.2Very high0 Ų059.1 Ų59.10%030%0.302CS..Hα-helixtrans-53.6-51.3177.2176.8-102.2000112.5V60 S66 R67 I70 M88 V119 L122 F123 F126V60-F64 WeakPolarHBondContact O-CB 3.46Å; V60-F64 PolarHBondContact O-N 3.39Å; F64-S66 VanDerWaalsContact C-N 3.26Å; F64-S66 PolarHBondContact O-N 3.07Å; F64-R67 WeakPolarHBondContact O-CB 3.3Å; F64-R67 PolarHBondContact O-N 3.13Å; F64-I70 HydrophobicContact CD1-CG2 4.37Å; F64-I70 HydrophobicContact CD2-CD1 4.06Å; F64-I70 HydrophobicContact CD2-CG1 3.89Å; F64-I70 HydrophobicContact CD2-CG2 4.34Å; F64-I70 HydrophobicContact CE1-CG2 3.82Å; F64-I70 HydrophobicContact CE2-CB 4.42Å; F64-I70 HydrophobicContact CE2-CD1 3.49Å; F64-I70 VanDerWaalsContact CE2-CD1 3.49Å; F64-I70 HydrophobicContact CE2-CG1 3.72Å; F64-I70 HydrophobicContact CE2-CG2 3.81Å; F64-I70 HydrophobicContact CZ-CD1 4.2Å; F64-I70 HydrophobicContact CZ-CG1 4.34Å; F64-I70 HydrophobicContact CZ-CG2 3.52Å; F64-M88 HydrophobicContact CD1-CE 3.85Å; F64-M88 HydrophobicContact CD1-SD 3.89Å; F64-M88 HydrophobicContact CE1-CE 4.48Å; F64-M88 HydrophobicContact CE1-SD 4.02Å; F64-V119 WeakPolarHBondContact CD2-O 3.48Å; F64-L122 HydrophobicContact CB-CD1 4.41Å; F64-L122 HydrophobicContact CD2-CB 3.93Å; F64-L122 HydrophobicContact CE2-CB 3.87Å; F64-L122 HydrophobicContact CG-CB 4.46Å; F64-L122 HydrophobicContact CG-CD1 4.46Å; F64-L122 HydrophobicContact CZ-CB 4.4Å; F64-F123 HydrophobicContact CE2-CB 4.1Å; F64-F123 HydrophobicContact CZ-CB 4.34Å; F64-F123 HydrophobicContact CZ-CD2 4.27Å; F64-F126 HydrophobicContact CE1-CB 3.87Å; F64-F126 AromaticContact CE1-CD1 3.8Å; F64-F126 HydrophobicContact CE1-CD1 3.8Å; F64-F126 HydrophobicContact CE1-CD2 4.23Å; F64-F126 HydrophobicContact CE1-CE1 4.39Å; F64-F126 AromaticContact CE1-CG 3.68Å; F64-F126 HydrophobicContact CE1-CG 3.68Å; F64-F126 HydrophobicContact CZ-CB 3.71Å; F64-F126 AromaticContact CZ-CD1 3.78Å; F64-F126 HydrophobicContact CZ-CD1 3.78Å; F64-F126 AromaticContact CZ-CG 3.85Å; F64-F126 HydrophobicContact CZ-CG 3.85Å
65A93.1Very high93.4Very high18 Ų1855 Ų5515%0.14930%0.295CS..Hα-helixtrans-65.9-24.6-179.300000114.2L61 Q63 R67 R71 M88L61-A65 WeakPolarHBondContact O-CB 3.42Å; L61-A65 PolarHBondContact O-N 3Å; Q63-A65 PolarHBondContact O-N 3.42Å; A65-R67 VanDerWaalsContact C-N 3.33Å; A65-R71 PolarHBondContact O-NE 3.28Å; A65-R71 PolarHBondContact O-NH2 3.26Å; A65-M88 HydrophobicContact CB-CE 3.96Å; A65-M88 HydrophobicContact CB-CG 3.95Å; A65-M88 HydrophobicContact CB-SD 4.05Å
66S93.8Very high93.4Very high81 Ų8155.8 Ų55.857%0.56630%0.298SS*.Hα-helixtrans-78.8-17.417975.70000113G62 Q63 F64 T68G62-S66 WeakPolarHBondContact O-CB 3.45Å; G62-S66 PolarHBondContact O-N 2.9Å; G62-S66 VanDerWaalsContact O-N 3.16Å; Q63-S66 PolarHBondContact O-N 3.02Å; Q63-S66 VanDerWaalsContact O-N 3.16Å; Q63-S66 PolarHBondContact O-OG 3.08Å; F64-S66 VanDerWaalsContact C-N 3.26Å; F64-S66 PolarHBondContact O-N 3.07Å; S66-T68 PolarHBondContact O-N 3.43Å
67R95Very high93.2Very high67 Ų6760.7 Ų60.725%0.25332%0.316SS..  trans-71.1127.1-174.9-64.2-148.965-163.7-4.7112.3Q63 F64 A65 I69 I70 R71 H118 V119 D120Q63-R67 VanDerWaalsContact O-CG 3.31Å; Q63-R67 WeakPolarHBondContact O-CG 3.46Å; Q63-R67 PolarHBondContact O-N 3.17Å; F64-R67 WeakPolarHBondContact O-CB 3.3Å; F64-R67 PolarHBondContact O-N 3.13Å; A65-R67 VanDerWaalsContact C-N 3.33Å; R67-I69 VanDerWaalsContact C-N 3.33Å; R67-I69 PolarHBondContact O-N 3.15Å; R67-I70 HydrophobicContact CB-CB 4.09Å; R67-I70 HydrophobicContact CB-CG1 3.74Å; R67-I70 PolarHBondContact O-N 3.18Å; R67-R71 PolarHBondContact O-N 2.98Å; R67-H118 PolarHBondContact NH1-CE1 3.38Å; R67-H118 PolarHBondContact NH1-ND1 3.02Å; R67-V119 HydrophobicContact CG-CG2 4.41Å; R67-D120 VanDerWaalsContact CD-OD1 3.26Å; R67-D120 WeakPolarHBondContact CD-OD1 3.45Å; R67-D120 IonicContact CZ-OD1 3.46Å; R67-D120 IonicContact CZ-OD2 3.45Å; R67-D120 IonicContact NE-OD1 3.22Å; R67-D120 IonicContact NH1-OD1 3.87Å; R67-D120 PolarHBondContact NH1-OD1 2.62Å; R67-D120 IonicContact NH1-OD2 3.39Å; R67-D120 PolarHBondContact NH1-OD2 3.1Å; R67-D120 IonicContact NH2-OD2 2.7Å
68T93Very high92.9Very high101 Ų10161.4 Ų61.462%0.6233%0.327SS*.Hα-helixtrans-64.7-36.3176.452.30000112.4S66 R71 K72S66-T68 PolarHBondContact O-N 3.43Å; T68-R71 PolarHBondContact O-N 3.3Å; T68-K72 WeakPolarHBondContact O-CG 3.18Å; T68-K72 PolarHBondContact O-N 2.73Å
69I93.7Very high92.7Very high86 Ų8660.3 Ų60.344%0.44132%0.317SS..Hα-helixtrans-61.5-44.5176-109.9163.1000111.3R67 R71 K72 L73R67-I69 VanDerWaalsContact C-N 3.33Å; R67-I69 PolarHBondContact O-N 3.15Å; I69-R71 VanDerWaalsContact C-N 3.31Å; I69-R71 PolarHBondContact O-N 2.85Å; I69-K72 PolarHBondContact O-N 3.22Å; I69-L73 VanDerWaalsContact O-CB 3.32Å; I69-L73 WeakPolarHBondContact O-CB 3.5Å; I69-L73 PolarHBondContact O-N 2.92Å
70I94.2Very high92.4Very high1 Ų156.4 Ų56.41%0.00530%0.304CS..Hα-helixtrans-63.2-39.6178.9-64.2-55.3000110.9F64 R67 S74 F84 D120 F123F64-I70 HydrophobicContact CD1-CG2 4.37Å; F64-I70 HydrophobicContact CD2-CD1 4.06Å; F64-I70 HydrophobicContact CD2-CG1 3.89Å; F64-I70 HydrophobicContact CD2-CG2 4.34Å; F64-I70 HydrophobicContact CE1-CG2 3.82Å; F64-I70 HydrophobicContact CE2-CB 4.42Å; F64-I70 HydrophobicContact CE2-CD1 3.49Å; F64-I70 VanDerWaalsContact CE2-CD1 3.49Å; F64-I70 HydrophobicContact CE2-CG1 3.72Å; F64-I70 HydrophobicContact CE2-CG2 3.81Å; F64-I70 HydrophobicContact CZ-CD1 4.2Å; F64-I70 HydrophobicContact CZ-CG1 4.34Å; F64-I70 HydrophobicContact CZ-CG2 3.52Å; R67-I70 HydrophobicContact CB-CB 4.09Å; R67-I70 HydrophobicContact CB-CG1 3.74Å; R67-I70 PolarHBondContact O-N 3.18Å; I70-S74 VanDerWaalsContact O-CB 3.23Å; I70-S74 WeakPolarHBondContact O-CB 3.36Å; I70-S74 PolarHBondContact O-N 3.13Å; I70-S74 PolarHBondContact O-OG 3.41Å; I70-F84 HydrophobicContact CG2-CE2 4.02Å; I70-F84 HydrophobicContact CG2-CZ 4.23Å; I70-D120 HydrophobicContact CD1-CB 4.41Å; I70-D120 WeakPolarHBondContact CD1-OD1 3.31Å; I70-F123 HydrophobicContact CD1-CB 3.98Å; I70-F123 HydrophobicContact CD1-CD2 4.02Å; I70-F123 HydrophobicContact CD1-CG 4.31Å; I70-F123 HydrophobicContact CG2-CD2 4.28Å
71R93.1Very high92.1Very high118 Ų11858.8 Ų58.845%0.44533%0.329SS..Hα-helixtrans-65.8-43.2175.7-68.6177.9-176.4-90.8-4.7112.7A65 R67 T68 I69 A75 F84A65-R71 PolarHBondContact O-NE 3.28Å; A65-R71 PolarHBondContact O-NH2 3.26Å; R67-R71 PolarHBondContact O-N 2.98Å; T68-R71 PolarHBondContact O-N 3.3Å; I69-R71 VanDerWaalsContact C-N 3.31Å; I69-R71 PolarHBondContact O-N 2.85Å; R71-A75 PolarHBondContact O-N 3.38Å; R71-F84 HydrophobicContact CG-CE1 4.07Å; R71-F84 HydrophobicContact CG-CE2 4.5Å; R71-F84 HydrophobicContact CG-CZ 4.03Å
72K92.7Very high91.8Very high147 Ų14762.7 Ų62.764%0.63935%0.346SS*.Hα-helixtrans-64.3-49.9177-74.4-177177.1-173.40111.3T68 I69 S74 A75 E76T68-K72 WeakPolarHBondContact O-CG 3.18Å; T68-K72 PolarHBondContact O-N 2.73Å; I69-K72 PolarHBondContact O-N 3.22Å; K72-S74 VanDerWaalsContact C-N 3.34Å; K72-S74 PolarHBondContact O-N 3.48Å; K72-A75 WeakPolarHBondContact O-CB 3.32Å; K72-A75 PolarHBondContact O-N 3.36Å; K72-A75 VanDerWaalsContact O-N 3.11Å; K72-E76 PolarHBondContact O-N 3.49Å; K72-E76 VanDerWaalsContact O-N 3.09Å
73L93.2Very high91.6Very high54 Ų5461 Ų6128%0.28333%0.328SS..Hα-helixtrans-62-42.1178.7-169.963000111.1I69 A75 E76 Y77 F123I69-L73 VanDerWaalsContact O-CB 3.32Å; I69-L73 WeakPolarHBondContact O-CB 3.5Å; I69-L73 PolarHBondContact O-N 2.92Å; L73-A75 VanDerWaalsContact C-N 3.31Å; L73-A75 PolarHBondContact O-N 3.18Å; L73-E76 WeakPolarHBondContact O-CB 3.14Å; L73-E76 PolarHBondContact O-N 2.92Å; L73-E76 VanDerWaalsContact O-N 3.17Å; L73-Y77 HydrophobicContact CD1-CE2 4.02Å; L73-Y77 HydrophobicContact CG-CE2 4.2Å; L73-Y77 VanDerWaalsContact O-CD2 3.26Å; L73-Y77 WeakPolarHBondContact O-CD2 3.32Å; L73-Y77 PolarHBondContact O-N 3.12Å; L73-F123 HydrophobicContact CB-CE2 4.23Å; L73-F123 HydrophobicContact CB-CZ 4.11Å; L73-F123 HydrophobicContact CD2-CD1 3.39Å; L73-F123 HydrophobicContact CD2-CD2 4.12Å; L73-F123 HydrophobicContact CD2-CE1 3.32Å; L73-F123 HydrophobicContact CD2-CE2 4.05Å; L73-F123 HydrophobicContact CD2-CG 3.81Å; L73-F123 HydrophobicContact CD2-CZ 3.67Å; L73-F123 HydrophobicContact CG-CD1 4.15Å; L73-F123 HydrophobicContact CG-CE1 3.54Å; L73-F123 HydrophobicContact CG-CE2 4.04Å; L73-F123 HydrophobicContact CG-CZ 3.48Å; L73-F123 VanDerWaalsContact CG-CZ 3.48Å
74S93.7Very high91.6Very high0 Ų056.2 Ų56.20%031%0.305CS..Hα-helixtrans-58-43.2173.7-59.30000111.9I70 K72 E76 Y77 G78 L79 F84I70-S74 VanDerWaalsContact O-CB 3.23Å; I70-S74 WeakPolarHBondContact O-CB 3.36Å; I70-S74 PolarHBondContact O-N 3.13Å; I70-S74 PolarHBondContact O-OG 3.41Å; K72-S74 VanDerWaalsContact C-N 3.34Å; K72-S74 PolarHBondContact O-N 3.48Å; S74-E76 VanDerWaalsContact C-N 3.3Å; S74-E76 PolarHBondContact O-N 3.3Å; S74-Y77 CarbonylContact O-C 3.55Å; S74-Y77 PolarHBondContact O-N 2.72Å; S74-G78 PolarHBondContact O-N 2.78Å; S74-L79 CarbonylContact C-O 3.5Å; S74-L79 VanDerWaalsContact CB-O 3.26Å; S74-L79 WeakPolarHBondContact CB-O 3.13Å; S74-L79 CarbonylContact O-C 3.51Å; S74-L79 WeakPolarHBondContact O-CA 3.33Å; S74-L79 VanDerWaalsContact O-CB 3.28Å; S74-L79 WeakPolarHBondContact O-CB 3.36Å; S74-L79 PolarHBondContact O-N 3.28Å; S74-F84 WeakPolarHBondContact OG-CD2 3.43Å; S74-F84 WeakPolarHBondContact OG-CE2 3.2Å
75A90.8Very high91.4Very high55 Ų5562.2 Ų62.246%0.45533%0.333SS..Hα-helixtrans-63.4-33.7177.900000112.8R71 K72 L73 Y77 G78R71-A75 PolarHBondContact O-N 3.38Å; K72-A75 WeakPolarHBondContact O-CB 3.32Å; K72-A75 PolarHBondContact O-N 3.36Å; K72-A75 VanDerWaalsContact O-N 3.11Å; L73-A75 VanDerWaalsContact C-N 3.31Å; L73-A75 PolarHBondContact O-N 3.18Å; A75-Y77 PolarHBondContact O-N 2.89Å; A75-G78 PolarHBondContact O-N 2.84Å
76E88.8Confident91.5Very high150 Ų15064.8 Ų64.870%0.70134%0.342SS*.Hα-helixtrans-62.9-26.9173.2-67.8171-164.800112.6K72 L73 S74K72-E76 PolarHBondContact O-N 3.49Å; K72-E76 VanDerWaalsContact O-N 3.09Å; L73-E76 WeakPolarHBondContact O-CB 3.14Å; L73-E76 PolarHBondContact O-N 2.92Å; L73-E76 VanDerWaalsContact O-N 3.17Å; S74-E76 VanDerWaalsContact C-N 3.3Å; S74-E76 PolarHBondContact O-N 3.3Å
77Y88Confident91.5Very high107 Ų10761 Ų6142%0.4232%0.315SS..THydrogen-bonded Turntrans-93.918.4173.7-70.5-83.5000113.3L73 S74 A75 L79 F123 L127L73-Y77 HydrophobicContact CD1-CE2 4.02Å; L73-Y77 HydrophobicContact CG-CE2 4.2Å; L73-Y77 VanDerWaalsContact O-CD2 3.26Å; L73-Y77 WeakPolarHBondContact O-CD2 3.32Å; L73-Y77 PolarHBondContact O-N 3.12Å; S74-Y77 CarbonylContact O-C 3.55Å; S74-Y77 PolarHBondContact O-N 2.72Å; A75-Y77 PolarHBondContact O-N 2.89Å; Y77-L79 PolarHBondContact O-N 2.96Å; Y77-F123 HydrophobicContact CD2-CE1 4.09Å; Y77-F123 AromaticContact CD2-CZ 3.81Å; Y77-F123 HydrophobicContact CD2-CZ 3.81Å; Y77-F123 AromaticContact CE2-CE1 3.82Å; Y77-F123 HydrophobicContact CE2-CE1 3.82Å; Y77-F123 HydrophobicContact CE2-CZ 4.01Å; Y77-L127 HydrophobicContact CD1-CD2 3.82Å; Y77-L127 HydrophobicContact CD2-CD2 4.04Å; Y77-L127 HydrophobicContact CE1-CD2 3.89Å; Y77-L127 HydrophobicContact CE2-CD2 4.15Å; Y77-L127 HydrophobicContact CG-CD1 4.12Å; Y77-L127 HydrophobicContact CG-CD2 3.89Å
78G85.8Confident91.5Very high26 Ų2658.6 Ų58.627%0.26831%0.307SS..THydrogen-bonded Turntrans74.92.1-177.600000114.6S74 A75 G80S74-G78 PolarHBondContact O-N 2.78Å; A75-G78 PolarHBondContact O-N 2.84Å; G78-G80 VanDerWaalsContact C-N 3.31Å; G78-G80 PolarHBondContact O-N 3.2Å
79L88.8Confident91.6Very high0 Ų056.7 Ų56.70%030%0.302CS..  trans-92.859.2179.8-169.273.2000110.8S74 Y77 F83 F84 A87 F126 A130 F134 L137S74-L79 CarbonylContact C-O 3.5Å; S74-L79 VanDerWaalsContact CB-O 3.26Å; S74-L79 WeakPolarHBondContact CB-O 3.13Å; S74-L79 CarbonylContact O-C 3.51Å; S74-L79 WeakPolarHBondContact O-CA 3.33Å; S74-L79 VanDerWaalsContact O-CB 3.28Å; S74-L79 WeakPolarHBondContact O-CB 3.36Å; S74-L79 PolarHBondContact O-N 3.28Å; Y77-L79 PolarHBondContact O-N 2.96Å; L79-F83 HydrophobicContact CD1-CB 3.75Å; L79-F84 HydrophobicContact CD2-CD2 4.44Å; L79-A87 HydrophobicContact CD1-CB 3.79Å; L79-A87 HydrophobicContact CD2-CB 4.23Å; L79-F126 HydrophobicContact CD2-CD1 4.39Å; L79-F126 HydrophobicContact CD2-CE1 3.41Å; L79-F126 VanDerWaalsContact CD2-CE1 3.41Å; L79-F126 HydrophobicContact CD2-CZ 3.56Å; L79-A130 HydrophobicContact CD1-CB 4.12Å; L79-A130 HydrophobicContact CD2-CB 3.66Å; L79-F134 HydrophobicContact CD1-CD2 4.06Å; L79-F134 HydrophobicContact CD1-CE2 4.32Å; L79-L137 HydrophobicContact CB-CD1 4.46Å; L79-L137 HydrophobicContact CD1-CD1 3.91Å
80G87.4Confident91.7Very high19 Ų1954 Ų5420%0.19629%0.291CS..  trans-89.2178.6176.100000113.8G78 K82 F83 F84G78-G80 VanDerWaalsContact C-N 3.31Å; G78-G80 PolarHBondContact O-N 3.2Å; G80-K82 PolarHBondContact O-N 3.24Å; G80-F83 WeakPolarHBondContact O-CB 3.25Å; G80-F83 PolarHBondContact O-N 3.02Å; G80-F84 PolarHBondContact O-N 3.41Å
81G87.7Confident91.8Very high53 Ų5354 Ų5455%0.54629%0.291SS..Hα-helixtrans44.7-121.8161.900000116E27E27-G81 WeakPolarHBondContact OE1-CA 3.3Å
82K89.5Confident91.9Very high86 Ų8654.1 Ų54.137%0.37429%0.292SS..Hα-helixtrans-69.5-34.1-179.8-66.4179.1-177.4179.90112.5E27 D28 G80 F84 Q85 Q86E27-K82 HydrophobicContact CB-CB 4.25Å; E27-K82 HydrophobicContact CB-CD 4.37Å; E27-K82 VanDerWaalsContact OE2-CB 3.26Å; E27-K82 WeakPolarHBondContact OE2-CB 3.47Å; E27-K82 WeakPolarHBondContact OE2-CG 3.09Å; E27-K82 PolarHBondContact OE2-N 3.37Å; D28-K82 IonicContact OD1-NZ 3.97Å; D28-K82 PolarHBondContact OD1-NZ 3.26Å; D28-K82 IonicContact OD2-NZ 3.63Å; G80-K82 PolarHBondContact O-N 3.24Å; K82-F84 VanDerWaalsContact C-N 3.32Å; K82-F84 PolarHBondContact O-N 3.02Å; K82-Q85 PolarHBondContact O-N 3.03Å; K82-Q85 VanDerWaalsContact O-N 3.15Å; K82-Q86 WeakPolarHBondContact O-CB 3.33Å; K82-Q86 WeakPolarHBondContact O-CG 3.28Å; K82-Q86 PolarHBondContact O-N 3.45Å
83F91.3Very high91.9Very high3 Ų355.2 Ų55.21%0.01329%0.292CS..Hα-helixtrans-62.5-41.7179.1-64.9-35.8000111.6F26 E27 V30 L79 G80 Q85 Q86 A87 F134 H136F26-F83 AromaticContact CD1-CE2 3.55Å; F26-F83 HydrophobicContact CD1-CE2 3.55Å; F26-F83 AromaticContact CD1-CZ 3.83Å; F26-F83 HydrophobicContact CD1-CZ 3.83Å; F26-F83 AromaticContact CE1-CE2 3.6Å; F26-F83 HydrophobicContact CE1-CE2 3.6Å; F26-F83 AromaticContact CE1-CZ 3.91Å; F26-F83 HydrophobicContact CE1-CZ 3.91Å; E27-F83 VanDerWaalsContact CA-CZ 3.43Å; E27-F83 HydrophobicContact CB-CE1 4.23Å; E27-F83 HydrophobicContact CB-CE2 4.48Å; E27-F83 HydrophobicContact CB-CZ 4.23Å; E27-F83 HydrophobicContact CG-CD1 4.48Å; E27-F83 HydrophobicContact CG-CD2 3.96Å; E27-F83 HydrophobicContact CG-CE1 4.4Å; E27-F83 HydrophobicContact CG-CE2 3.88Å; E27-F83 HydrophobicContact CG-CG 4.28Å; E27-F83 HydrophobicContact CG-CZ 4.13Å; V30-F83 HydrophobicContact CB-CE1 3.79Å; V30-F83 HydrophobicContact CB-CZ 3.79Å; V30-F83 HydrophobicContact CG1-CE1 4.32Å; V30-F83 HydrophobicContact CG1-CZ 4.46Å; V30-F83 HydrophobicContact CG2-CE1 4.38Å; V30-F83 HydrophobicContact CG2-CZ 3.85Å; L79-F83 HydrophobicContact CD1-CB 3.75Å; G80-F83 WeakPolarHBondContact O-CB 3.25Å; G80-F83 PolarHBondContact O-N 3.02Å; F83-Q85 VanDerWaalsContact C-N 3.32Å; F83-Q85 PolarHBondContact O-N 3.23Å; F83-Q86 PolarHBondContact O-N 2.96Å; F83-A87 WeakPolarHBondContact O-CB 3.4Å; F83-A87 PolarHBondContact O-N 3.12Å; F83-F134 HydrophobicContact CB-CD2 4.47Å; F83-F134 HydrophobicContact CB-CE2 4.04Å; F83-F134 HydrophobicContact CB-CZ 4.29Å; F83-F134 HydrophobicContact CD1-CD1 4.17Å; F83-F134 AromaticContact CD1-CE1 3.63Å; F83-F134 HydrophobicContact CD1-CE1 3.63Å; F83-F134 HydrophobicContact CD1-CE2 4.2Å; F83-F134 AromaticContact CD1-CZ 3.65Å; F83-F134 HydrophobicContact CD1-CZ 3.65Å; F83-F134 HydrophobicContact CE1-CD1 4.28Å; F83-F134 AromaticContact CE1-CE1 3.91Å; F83-F134 HydrophobicContact CE1-CE1 3.91Å; F83-F134 HydrophobicContact CE1-CZ 4.39Å; F83-F134 HydrophobicContact CG-CE2 4.47Å; F83-F134 HydrophobicContact CG-CZ 4.35Å; F83-F134 WeakPolarHBondContact O-CE2 3.42Å; F83-H136 AromaticContact CE2-NE2 3.79Å; F83-H136 AromaticContact CZ-CE1 3.96Å
84F93.7Very high91.9Very high8 Ų853.9 Ų53.94%0.03528%0.283CS..Hα-helixtrans-57.7-46.3173.3-177.1-96.2000111.7I70 R71 S74 L79 G80 K82 M88 F126I70-F84 HydrophobicContact CG2-CE2 4.02Å; I70-F84 HydrophobicContact CG2-CZ 4.23Å; R71-F84 HydrophobicContact CG-CE1 4.07Å; R71-F84 HydrophobicContact CG-CE2 4.5Å; R71-F84 HydrophobicContact CG-CZ 4.03Å; S74-F84 WeakPolarHBondContact OG-CD2 3.43Å; S74-F84 WeakPolarHBondContact OG-CE2 3.2Å; L79-F84 HydrophobicContact CD2-CD2 4.44Å; G80-F84 PolarHBondContact O-N 3.41Å; K82-F84 VanDerWaalsContact C-N 3.32Å; K82-F84 PolarHBondContact O-N 3.02Å; F84-M88 WeakPolarHBondContact O-CB 3.21Å; F84-M88 PolarHBondContact O-N 2.84Å; F84-F126 HydrophobicContact CD2-CE1 4.07Å; F84-F126 HydrophobicContact CD2-CZ 4.05Å; F84-F126 AromaticContact CE2-CE1 3.78Å; F84-F126 HydrophobicContact CE2-CE1 3.78Å; F84-F126 AromaticContact CE2-CZ 3.94Å; F84-F126 HydrophobicContact CE2-CZ 3.94Å
85Q93Very high91.8Very high126 Ų12654 Ų5459%0.58928%0.284SS*.Hα-helixtrans-63.5-44.3-179.8-66.5-180-19.800112K82 F83 A89K82-Q85 PolarHBondContact O-N 3.03Å; K82-Q85 VanDerWaalsContact O-N 3.15Å; F83-Q85 VanDerWaalsContact C-N 3.32Å; F83-Q85 PolarHBondContact O-N 3.23Å; Q85-A89 VanDerWaalsContact O-CB 3.3Å; Q85-A89 WeakPolarHBondContact O-CB 3.43Å; Q85-A89 PolarHBondContact O-N 2.86Å
86Q93.7Very high91.8Very high73 Ų7353.6 Ų53.634%0.34127%0.273SS..Hα-helixtrans-69.3-44.1179.4-72177.1-12.900112.1K82 F83 A89 S90 F134K82-Q86 WeakPolarHBondContact O-CB 3.33Å; K82-Q86 WeakPolarHBondContact O-CG 3.28Å; K82-Q86 PolarHBondContact O-N 3.45Å; F83-Q86 PolarHBondContact O-N 2.96Å; Q86-A89 PolarHBondContact O-N 2.8Å; Q86-S90 WeakPolarHBondContact O-CB 3.07Å; Q86-S90 PolarHBondContact O-N 3.32Å; Q86-F134 HydrophobicContact CB-CE2 4.27Å; Q86-F134 HydrophobicContact CB-CZ 3.83Å; Q86-F134 VanDerWaalsContact OE1-CZ 3.31Å
87A94.9Very high91.8Very high0 Ų050.5 Ų50.50%026%0.261CS..Hα-helixtrans-62.6-43174.600000111.1L79 F83 S90 F91 F126 A130 F134L79-A87 HydrophobicContact CD1-CB 3.79Å; L79-A87 HydrophobicContact CD2-CB 4.23Å; F83-A87 WeakPolarHBondContact O-CB 3.4Å; F83-A87 PolarHBondContact O-N 3.12Å; A87-S90 PolarHBondContact O-N 3.28Å; A87-F91 VanDerWaalsContact O-CB 3.24Å; A87-F91 WeakPolarHBondContact O-CB 3.39Å; A87-F91 PolarHBondContact O-N 3.06Å; A87-F126 HydrophobicContact CB-CE2 3.99Å; A87-F126 HydrophobicContact CB-CZ 4Å; A87-A130 HydrophobicContact CB-CB 3.9Å; A87-F134 HydrophobicContact CB-CD2 4.34Å; A87-F134 HydrophobicContact CB-CE2 3.97Å
88M95.6Very high91.6Very high17 Ų1746 Ų468%0.08425%0.245CC..Hα-helixtrans-66.9-39.9178.6-167.867.8-150.200111.8L61 F64 A65 F84 F91 R92 F126L61-M88 HydrophobicContact CB-CE 3.96Å; L61-M88 HydrophobicContact CD2-CE 3.74Å; L61-M88 HydrophobicContact CG-CE 4.41Å; F64-M88 HydrophobicContact CD1-CE 3.85Å; F64-M88 HydrophobicContact CD1-SD 3.89Å; F64-M88 HydrophobicContact CE1-CE 4.48Å; F64-M88 HydrophobicContact CE1-SD 4.02Å; A65-M88 HydrophobicContact CB-CE 3.96Å; A65-M88 HydrophobicContact CB-CG 3.95Å; A65-M88 HydrophobicContact CB-SD 4.05Å; F84-M88 WeakPolarHBondContact O-CB 3.21Å; F84-M88 PolarHBondContact O-N 2.84Å; M88-F91 HydrophobicContact CE-CD1 4.25Å; M88-F91 PolarHBondContact O-N 3.38Å; M88-F91 HydrophobicContact SD-CD1 4.5Å; M88-R92 VanDerWaalsContact O-CB 3.26Å; M88-R92 WeakPolarHBondContact O-CB 3.37Å; M88-R92 PolarHBondContact O-N 2.98Å; M88-F126 HydrophobicContact CB-CE2 4.31Å; M88-F126 HydrophobicContact CB-CZ 4.49Å; M88-F126 HydrophobicContact SD-CD2 4.3Å; M88-F126 HydrophobicContact SD-CE2 3.96Å; M88-F126 HydrophobicContact SD-CZ 4.39Å
89A94.6Very high91.4Very high62 Ų6248.8 Ų48.851%0.51227%0.266SS..Hα-helixtrans-63.5-44.3173.900000111.6Q85 Q86 R93Q85-A89 VanDerWaalsContact O-CB 3.3Å; Q85-A89 WeakPolarHBondContact O-CB 3.43Å; Q85-A89 PolarHBondContact O-N 2.86Å; Q86-A89 PolarHBondContact O-N 2.8Å; A89-R93 WeakPolarHBondContact O-CB 3.3Å; A89-R93 PolarHBondContact O-N 3.24Å
90S94.8Very high91.1Very high30 Ų3050.5 Ų50.521%0.2128%0.276CS..Hα-helixtrans-61.7-47.2174.9178.30000111.8Q86 A87 R93 F94 H129 V133Q86-S90 WeakPolarHBondContact O-CB 3.07Å; Q86-S90 PolarHBondContact O-N 3.32Å; A87-S90 PolarHBondContact O-N 3.28Å; S90-R93 PolarHBondContact O-N 3.39Å; S90-F94 WeakPolarHBondContact O-CB 3.44Å; S90-F94 PolarHBondContact O-N 3.18Å; S90-H129 PolarHBondContact OG-NE2 3.4Å; S90-V133 VanDerWaalsContact OG-CG2 3.27Å; S90-V133 WeakPolarHBondContact OG-CG2 3.33Å
91F96.3Very high91.1Very high1 Ų150.3 Ų50.30%0.00427%0.271CS..Hα-helixtrans-64.3-43.1179.9-176.5-122.8000112L61 A87 M88 R93 F94 C95 L105 F126 H129L61-F91 HydrophobicContact CD2-CD1 3.7Å; L61-F91 HydrophobicContact CD2-CE1 3.46Å; L61-F91 VanDerWaalsContact CD2-CE1 3.46Å; L61-F91 HydrophobicContact CD2-CZ 4.5Å; A87-F91 VanDerWaalsContact O-CB 3.24Å; A87-F91 WeakPolarHBondContact O-CB 3.39Å; A87-F91 PolarHBondContact O-N 3.06Å; M88-F91 HydrophobicContact CE-CD1 4.25Å; M88-F91 PolarHBondContact O-N 3.38Å; M88-F91 HydrophobicContact SD-CD1 4.5Å; F91-R93 PolarHBondContact O-N 2.94Å; F91-F94 PolarHBondContact O-N 2.95Å; F91-C95 WeakPolarHBondContact O-CB 3.38Å; F91-C95 PolarHBondContact O-N 3.45Å; F91-C95 PolarHBondContact O-SG 3.2Å; F91-C95 VanDerWaalsContact O-SG 3.33Å; F91-L105 HydrophobicContact CE2-CD1 4.37Å; F91-L105 HydrophobicContact CE2-CD2 3.88Å; F91-L105 HydrophobicContact CZ-CD2 3.66Å; F91-F126 HydrophobicContact CB-CD2 3.94Å; F91-F126 HydrophobicContact CB-CE2 4.19Å; F91-F126 HydrophobicContact CD1-CB 4.35Å; F91-F126 AromaticContact CD1-CD2 3.67Å; F91-F126 HydrophobicContact CD1-CD2 3.67Å; F91-F126 HydrophobicContact CD1-CG 4.45Å; F91-F126 HydrophobicContact CE1-CB 4.1Å; F91-F126 HydrophobicContact CE1-CD2 4.28Å; F91-F126 AromaticContact CG-CD2 3.82Å; F91-F126 HydrophobicContact CG-CD2 3.82Å; F91-F126 HydrophobicContact CZ-CB 4.33Å; F91-H129 WeakPolarHBondContact CA-NE2 3.25Å; F91-H129 HydrophobicContact CD2-CB 3.62Å; F91-H129 AromaticContact CD2-CD2 3.91Å; F91-H129 AromaticContact CD2-CG 3.54Å; F91-H129 AromaticContact CD2-ND1 3.94Å; F91-H129 HydrophobicContact CE2-CB 4.11Å; F91-H129 HydrophobicContact CG-CB 4.49Å; F91-H129 PolarHBondContact N-NE2 3.16Å
92R94.9Very high91.2Very high120 Ų12049.9 Ų49.945%0.45326%0.258SS..Hα-helixtrans-59.1-47.6173.7178176.6-177.8164.55.5111.4L61 M88 C95 Q96L61-R92 HydrophobicContact CD1-CB 4.16Å; L61-R92 HydrophobicContact CD1-CG 4.08Å; M88-R92 VanDerWaalsContact O-CB 3.26Å; M88-R92 WeakPolarHBondContact O-CB 3.37Å; M88-R92 PolarHBondContact O-N 2.98Å; R92-C95 PolarHBondContact O-N 3.43Å; R92-Q96 HydrophobicContact CG-CG 4.41Å; R92-Q96 WeakPolarHBondContact O-CB 3.46Å; R92-Q96 VanDerWaalsContact O-CG 3.25Å; R92-Q96 WeakPolarHBondContact O-CG 3.5Å; R92-Q96 PolarHBondContact O-N 3.41Å
93R92.8Very high91.2Very high170 Ų17049.8 Ų49.864%0.64227%0.265SS*.Hα-helixtrans-60.4-47.4177.4-172.3178.8-178172.9-1.8111.3A89 S90 F91 C95 Q96 D97A89-R93 WeakPolarHBondContact O-CB 3.3Å; A89-R93 PolarHBondContact O-N 3.24Å; S90-R93 PolarHBondContact O-N 3.39Å; F91-R93 PolarHBondContact O-N 2.94Å; R93-C95 VanDerWaalsContact C-N 3.35Å; R93-C95 PolarHBondContact O-N 3.03Å; R93-Q96 PolarHBondContact O-N 3.38Å; R93-D97 WeakPolarHBondContact CG-OD2 3.3Å; R93-D97 IonicContact NE-OD2 3.79Å; R93-D97 PolarHBondContact NE-OD2 2.93Å; R93-D97 VanDerWaalsContact NE-OD2 3.09Å; R93-D97 VanDerWaalsContact O-CB 3.23Å; R93-D97 WeakPolarHBondContact O-CB 3.42Å; R93-D97 PolarHBondContact O-N 3.37Å
94F93.6Very high91.2Very high25 Ų2552.4 Ų52.411%0.1128%0.279CS..Hα-helixtrans-56.1-47.6177176.8-94.8000111.9V35 Q36 S90 F91 Q96 S98 P102 L105 H129V35-F94 HydrophobicContact CG1-CD2 3.99Å; V35-F94 HydrophobicContact CG1-CE2 4.16Å; Q36-F94 WeakPolarHBondContact O-CE2 3.46Å; S90-F94 WeakPolarHBondContact O-CB 3.44Å; S90-F94 PolarHBondContact O-N 3.18Å; F91-F94 PolarHBondContact O-N 2.95Å; F94-Q96 VanDerWaalsContact C-N 3.34Å; F94-Q96 PolarHBondContact O-N 2.87Å; F94-S98 WeakPolarHBondContact O-CB 3.35Å; F94-S98 PolarHBondContact O-N 3.14Å; F94-S98 VanDerWaalsContact O-N 3.15Å; F94-S98 PolarHBondContact O-OG 3.24Å; F94-P102 HydrophobicContact CE1-CG 4.09Å; F94-P102 HydrophobicContact CZ-CG 3.96Å; F94-L105 HydrophobicContact CD1-CD1 4.32Å; F94-L105 HydrophobicContact CE1-CD1 3.74Å; F94-H129 WeakPolarHBondContact CB-CE1 3.16Å; F94-H129 AromaticContact CD1-ND1 3.93Å; F94-H129 AromaticContact CD2-CE1 3.91Å; F94-H129 AromaticContact CG-CE1 3.5Å; F94-H129 AromaticContact CG-ND1 3.86Å
95C93.1Very high91.2Very high3 Ų352.4 Ų52.42%0.0228%0.279CS..Hα-helixtrans-69.6-27.4-179.9-67.70000113.8I57 L61 F91 R92 R93 L101 F109I57-C95 HydrophobicContact CG2-CB 3.96Å; L61-C95 HydrophobicContact CD1-CB 4.12Å; F91-C95 WeakPolarHBondContact O-CB 3.38Å; F91-C95 PolarHBondContact O-N 3.45Å; F91-C95 PolarHBondContact O-SG 3.2Å; F91-C95 VanDerWaalsContact O-SG 3.33Å; R92-C95 PolarHBondContact O-N 3.43Å; R93-C95 VanDerWaalsContact C-N 3.35Å; R93-C95 PolarHBondContact O-N 3.03Å; C95-L101 HydrophobicContact CB-CD2 4.2Å; C95-F109 HydrophobicContact CB-CE2 4.35Å; C95-F109 HydrophobicContact CB-CZ 4.34Å
96Q89.5Confident91.1Very high47 Ų4747.7 Ų47.722%0.2226%0.257CS..Hα-helixtrans-92.2-31.5-177.4-69.4-174-49.700114.1K54 I57 R92 R93 F94K54-Q96 PolarHBondContact NZ-O 3.47Å; I57-Q96 HydrophobicContact CG2-CG 4.44Å; R92-Q96 HydrophobicContact CG-CG 4.41Å; R92-Q96 WeakPolarHBondContact O-CB 3.46Å; R92-Q96 VanDerWaalsContact O-CG 3.25Å; R92-Q96 WeakPolarHBondContact O-CG 3.5Å; R92-Q96 PolarHBondContact O-N 3.41Å; R93-Q96 PolarHBondContact O-N 3.38Å; F94-Q96 VanDerWaalsContact C-N 3.34Å; F94-Q96 PolarHBondContact O-N 2.87Å
97D88.2Confident91Very high85 Ų8546.3 Ų46.346%0.45525%0.253SS..Hα-helixtrans-92.7-20.5-176.3-67-4.7000112.1R93 A99R93-D97 WeakPolarHBondContact CG-OD2 3.3Å; R93-D97 IonicContact NE-OD2 3.79Å; R93-D97 PolarHBondContact NE-OD2 2.93Å; R93-D97 VanDerWaalsContact NE-OD2 3.09Å; R93-D97 VanDerWaalsContact O-CB 3.23Å; R93-D97 WeakPolarHBondContact O-CB 3.42Å; R93-D97 PolarHBondContact O-N 3.37Å; D97-A99 PolarHBondContact O-N 2.76Å
98S85.2Confident90.9Very high11 Ų1146.6 Ų46.68%0.07726%0.256CS..  trans-66.7128.6176.6-64.30000111.1S37 F94 V100S37-S98 WeakPolarHBondContact CB-OG 3.44Å; F94-S98 WeakPolarHBondContact O-CB 3.35Å; F94-S98 PolarHBondContact O-N 3.14Å; F94-S98 VanDerWaalsContact O-N 3.15Å; F94-S98 PolarHBondContact O-OG 3.24Å; S98-V100 VanDerWaalsContact C-N 3.3Å
99A81.6Confident90.9Very high85 Ų8545.8 Ų45.870%0.70225%0.252SS*.SBendtrans-66.4-37.3175.200000111.4D97D97-A99 PolarHBondContact O-N 2.76Å
100V82.5Confident90.7Very high36 Ų3643.3 Ų43.322%0.21823%0.23CC..SBendtrans-131.8118.1177.2-179.10000108.3S38 N45 S98S38-V100 PolarHBondContact OG-O 3.08Å; N45-V100 HydrophobicContact CB-CG1 4.13Å; N45-V100 WeakPolarHBondContact ND2-CG1 3.48Å; S98-V100 VanDerWaalsContact C-N 3.3Å
101L87Confident90.6Very high15 Ų1543.6 Ų43.68%0.07923%0.229CC..  trans-69.4147174.6-71.7174.2000111N45 I57 C95 L105 H106 F109N45-L101 PolarHBondContact ND2-O 3.41Å; I57-L101 HydrophobicContact CD1-CD1 3.94Å; C95-L101 HydrophobicContact CB-CD2 4.2Å; L101-L105 HydrophobicContact CB-CB 4.4Å; L101-H106 HydrophobicContact CB-CB 4.26Å; L101-F109 HydrophobicContact CD1-CD2 3.89Å; L101-F109 HydrophobicContact CD1-CE2 4.23Å
102P89.3Confident90.5Very high44 Ų4444.2 Ų44.229%0.28623%0.232SC..  trans-49.6144.3163.2-29.737.8000112.4F94 D104 L105 H106F94-P102 HydrophobicContact CE1-CG 4.09Å; F94-P102 HydrophobicContact CZ-CG 3.96Å; P102-D104 VanDerWaalsContact C-N 3.28Å; P102-D104 WeakPolarHBondContact CB-OD1 3.37Å; P102-D104 PolarHBondContact O-N 3.35Å; P102-L105 HydrophobicContact CB-CB 4.5Å; P102-L105 HydrophobicContact CB-CD1 4.29Å; P102-L105 HydrophobicContact CG-CD1 4.02Å; P102-L105 WeakPolarHBondContact O-CB 3.37Å; P102-L105 PolarHBondContact O-N 3.47Å; P102-H106 PolarHBondContact O-N 3.41Å
103V90.1Very high90.4Very high84 Ų8442 Ų4251%0.50923%0.229SC..Hα-helixtrans-54.5-44-174.1179.20000112N45 L105 H106 V107N45-V103 WeakPolarHBondContact OD1-CG2 3.25Å; V103-L105 PolarHBondContact O-N 3.2Å; V103-H106 PolarHBondContact O-N 3.33Å; V103-V107 HydrophobicContact CG1-CG2 4.27Å; V103-V107 WeakPolarHBondContact O-CB 3.34Å; V103-V107 VanDerWaalsContact O-CG2 3.3Å; V103-V107 WeakPolarHBondContact O-CG2 3.36Å; V103-V107 PolarHBondContact O-N 2.96Å
104D92Very high90.3Very high58 Ų5839.6 Ų39.631%0.3123%0.225SC..Hα-helixtrans-60.2-42.717852.4-7.2000112.3P102 T108 L125 K128P102-D104 VanDerWaalsContact C-N 3.28Å; P102-D104 WeakPolarHBondContact CB-OD1 3.37Å; P102-D104 PolarHBondContact O-N 3.35Å; D104-T108 VanDerWaalsContact O-CB 3.3Å; D104-T108 WeakPolarHBondContact O-CB 3.45Å; D104-T108 PolarHBondContact O-N 3.04Å; D104-T108 VanDerWaalsContact O-N 3.14Å; D104-T108 PolarHBondContact O-OG1 3.39Å; D104-L125 HydrophobicContact CB-CD1 4.48Å; D104-L125 HydrophobicContact CB-CD2 3.93Å; D104-L125 WeakPolarHBondContact OD2-CD2 3.3Å; D104-K128 IonicContact OD2-NZ 3.27Å; D104-K128 PolarHBondContact OD2-NZ 3.04Å
105L93.4Very high90Very high9 Ų943.7 Ų43.75%0.04726%0.257CS..Hα-helixtrans-67.4-47.1173.9-79.1167.8000112F91 F94 L101 P102 V103 V107 T108 F109 L122 L125F91-L105 HydrophobicContact CE2-CD1 4.37Å; F91-L105 HydrophobicContact CE2-CD2 3.88Å; F91-L105 HydrophobicContact CZ-CD2 3.66Å; F94-L105 HydrophobicContact CD1-CD1 4.32Å; F94-L105 HydrophobicContact CE1-CD1 3.74Å; L101-L105 HydrophobicContact CB-CB 4.4Å; P102-L105 HydrophobicContact CB-CB 4.5Å; P102-L105 HydrophobicContact CB-CD1 4.29Å; P102-L105 HydrophobicContact CG-CD1 4.02Å; P102-L105 WeakPolarHBondContact O-CB 3.37Å; P102-L105 PolarHBondContact O-N 3.47Å; V103-L105 PolarHBondContact O-N 3.2Å; L105-V107 PolarHBondContact O-N 2.92Å; L105-T108 PolarHBondContact O-N 3.42Å; L105-F109 HydrophobicContact CB-CD2 4.4Å; L105-F109 HydrophobicContact CB-CE2 4.37Å; L105-F109 HydrophobicContact CD2-CE2 4.02Å; L105-F109 WeakPolarHBondContact O-CD2 3.47Å; L105-F109 PolarHBondContact O-N 3.05Å; L105-L122 HydrophobicContact CD2-CD2 4.34Å; L105-L125 HydrophobicContact CD2-CB 3.88Å; L105-L125 HydrophobicContact CD2-CD1 3.68Å; L105-L125 HydrophobicContact CD2-CG 4.39Å; L105-L125 HydrophobicContact CG-CD1 4.04Å
106H90.8Very high89.9Confident27 Ų2747.6 Ų47.613%0.12529%0.285CS..Hα-helixtrans-58.5-50.9-179-171.4-86.1000111.5I52 L101 P102 V103 T108 F109 S110I52-H106 WeakPolarHBondContact CD1-O 3.37Å; L101-H106 HydrophobicContact CB-CB 4.26Å; P102-H106 PolarHBondContact O-N 3.41Å; V103-H106 PolarHBondContact O-N 3.33Å; H106-T108 VanDerWaalsContact C-N 3.34Å; H106-T108 PolarHBondContact O-N 3.08Å; H106-F109 PolarHBondContact O-N 3.48Å; H106-S110 WeakPolarHBondContact O-CB 3.45Å; H106-S110 PolarHBondContact O-N 3.33Å
107V91.5Very high89.9Confident43 Ų4350.5 Ų50.526%0.26129%0.294SS..Hα-helixtrans-59.2-46177.4172.30000110.7V103 L105 F109 S110 D111V103-V107 HydrophobicContact CG1-CG2 4.27Å; V103-V107 WeakPolarHBondContact O-CB 3.34Å; V103-V107 VanDerWaalsContact O-CG2 3.3Å; V103-V107 WeakPolarHBondContact O-CG2 3.36Å; V103-V107 PolarHBondContact O-N 2.96Å; L105-V107 PolarHBondContact O-N 2.92Å; V107-F109 PolarHBondContact O-N 3.36Å; V107-S110 PolarHBondContact O-N 3.4Å; V107-D111 WeakPolarHBondContact O-CB 3.4Å; V107-D111 PolarHBondContact O-N 3.18Å
108T93.1Very high90.2Very high7 Ų751.2 Ų51.24%0.04329%0.294CS..Hα-helixtrans-64.3-42-178.5-550000112.1D104 L105 H106 I112 D121 L122 L125D104-T108 VanDerWaalsContact O-CB 3.3Å; D104-T108 WeakPolarHBondContact O-CB 3.45Å; D104-T108 PolarHBondContact O-N 3.04Å; D104-T108 VanDerWaalsContact O-N 3.14Å; D104-T108 PolarHBondContact O-OG1 3.39Å; L105-T108 PolarHBondContact O-N 3.42Å; H106-T108 VanDerWaalsContact C-N 3.34Å; H106-T108 PolarHBondContact O-N 3.08Å; T108-I112 HydrophobicContact CG2-CD1 3.81Å; T108-I112 WeakPolarHBondContact O-CB 3.45Å; T108-I112 VanDerWaalsContact O-CD1 3.32Å; T108-I112 WeakPolarHBondContact O-CD1 3.27Å; T108-I112 WeakPolarHBondContact O-CG1 3.49Å; T108-I112 PolarHBondContact O-N 3.49Å; T108-I112 VanDerWaalsContact O-N 3.09Å; T108-D121 HydrophobicContact CG2-CB 4.37Å; T108-L122 HydrophobicContact CG2-CD2 3.61Å; T108-L122 HydrophobicContact CG2-CG 4.06Å; T108-L125 HydrophobicContact CG2-CD1 4.38Å
109F94Very high90.7Very high0 Ų051.2 Ų51.20%029%0.293CS..Hα-helixtrans-64.5-42.7174.9-80.4-63.7000112.4I52 I57 V60 L61 C95 L101 L105 H106 V107 I112 L113 L122I52-F109 HydrophobicContact CD1-CB 3.77Å; I52-F109 HydrophobicContact CG2-CB 4.4Å; I57-F109 HydrophobicContact CG1-CD1 4.47Å; I57-F109 HydrophobicContact CG1-CG 4.47Å; I57-F109 HydrophobicContact CG2-CE1 4.03Å; I57-F109 HydrophobicContact CG2-CE2 4.38Å; I57-F109 HydrophobicContact CG2-CZ 3.89Å; V60-F109 HydrophobicContact CB-CD1 4.08Å; V60-F109 HydrophobicContact CB-CE1 4.1Å; V60-F109 HydrophobicContact CG1-CD1 3.79Å; V60-F109 HydrophobicContact CG1-CE1 3.77Å; L61-F109 HydrophobicContact CD1-CZ 4.48Å; L61-F109 HydrophobicContact CD2-CE1 4.24Å; L61-F109 HydrophobicContact CD2-CZ 3.97Å; L61-F109 HydrophobicContact CG-CE1 4.09Å; L61-F109 HydrophobicContact CG-CZ 4.09Å; C95-F109 HydrophobicContact CB-CE2 4.35Å; C95-F109 HydrophobicContact CB-CZ 4.34Å; L101-F109 HydrophobicContact CD1-CD2 3.89Å; L101-F109 HydrophobicContact CD1-CE2 4.23Å; L105-F109 HydrophobicContact CB-CD2 4.4Å; L105-F109 HydrophobicContact CB-CE2 4.37Å; L105-F109 HydrophobicContact CD2-CE2 4.02Å; L105-F109 WeakPolarHBondContact O-CD2 3.47Å; L105-F109 PolarHBondContact O-N 3.05Å; H106-F109 PolarHBondContact O-N 3.48Å; V107-F109 PolarHBondContact O-N 3.36Å; F109-I112 PolarHBondContact O-N 2.87Å; F109-L113 WeakPolarHBondContact O-CG 3.49Å; F109-L113 PolarHBondContact O-N 3.36Å; F109-L122 HydrophobicContact CE1-CD1 4.02Å; F109-L122 HydrophobicContact CE1-CD2 4.3Å; F109-L122 HydrophobicContact CZ-CD1 4.49Å; F109-L122 HydrophobicContact CZ-CD2 4.25Å
110S91.8Very high91.3Very high9 Ų949 Ų496%0.06327%0.27CS..Hα-helixtrans-60.8-48.6178.5-153.80000111H106 V107 I112 L113 Q114H106-S110 WeakPolarHBondContact O-CB 3.45Å; H106-S110 PolarHBondContact O-N 3.33Å; V107-S110 PolarHBondContact O-N 3.4Å; S110-I112 VanDerWaalsContact C-N 3.34Å; S110-I112 PolarHBondContact O-N 3.49Å; S110-L113 PolarHBondContact O-N 2.96Å; S110-Q114 WeakPolarHBondContact O-CG 3.39Å; S110-Q114 PolarHBondContact O-N 3.15Å
111D92.9Very high91.8Very high36 Ų3650.8 Ų50.819%0.19328%0.278CS..Hα-helixtrans-62.3-39.1180-72.3-5.1000112V107 Q114 S115 S116 R117V107-D111 WeakPolarHBondContact O-CB 3.4Å; V107-D111 PolarHBondContact O-N 3.18Å; D111-Q114 CarbonylContact O-C 3.59Å; D111-Q114 PolarHBondContact O-N 3.16Å; D111-S115 PolarHBondContact O-N 3.21Å; D111-S116 WeakPolarHBondContact O-CA 3.23Å; D111-S116 WeakPolarHBondContact O-CB 3.38Å; D111-S116 PolarHBondContact O-N 2.85Å; D111-R117 HydrophobicContact CB-CB 3.89Å; D111-R117 HydrophobicContact CB-CG 3.75Å; D111-R117 PolarHBondContact O-N 2.84Å; D111-R117 IonicContact OD2-CZ 3.37Å; D111-R117 IonicContact OD2-NE 3Å; D111-R117 PolarHBondContact OD2-NE 3.21Å; D111-R117 IonicContact OD2-NH2 3.13Å; D111-R117 PolarHBondContact OD2-NH2 3.28Å
112I93.8Very high92.3Very high14 Ų1450 Ų507%0.07227%0.274CS..Hα-helixtrans-67-45177-69.4163.7000111.1V60 T108 F109 S110 Q114 S115 R117 V119 L122V60-I112 HydrophobicContact CB-CG2 4.47Å; V60-I112 HydrophobicContact CG1-CD1 4.06Å; V60-I112 HydrophobicContact CG1-CG2 3.89Å; V60-I112 HydrophobicContact CG2-CG2 3.72Å; T108-I112 HydrophobicContact CG2-CD1 3.81Å; T108-I112 WeakPolarHBondContact O-CB 3.45Å; T108-I112 VanDerWaalsContact O-CD1 3.32Å; T108-I112 WeakPolarHBondContact O-CD1 3.27Å; T108-I112 WeakPolarHBondContact O-CG1 3.49Å; T108-I112 PolarHBondContact O-N 3.49Å; T108-I112 VanDerWaalsContact O-N 3.09Å; F109-I112 PolarHBondContact O-N 2.87Å; S110-I112 VanDerWaalsContact C-N 3.34Å; S110-I112 PolarHBondContact O-N 3.49Å; I112-Q114 PolarHBondContact O-N 3.35Å; I112-S115 WeakPolarHBondContact O-CA 3.47Å; I112-S115 PolarHBondContact O-N 2.91Å; I112-R117 HydrophobicContact CG1-CB 3.92Å; I112-V119 HydrophobicContact CG2-CG1 3.79Å; I112-L122 HydrophobicContact CD1-CD1 3.94Å; I112-L122 HydrophobicContact CD1-CD2 4.32Å; I112-L122 HydrophobicContact CD1-CG 3.73Å
113L92.2Very high92.6Very high73 Ų7348.7 Ų48.738%0.38226%0.264SS..Hα-helixtrans-64.7-30.3178.7-72.1170.3000112I52 V60 F109 S110 S115I52-L113 HydrophobicContact CG2-CD1 3.83Å; V60-L113 HydrophobicContact CG2-CD2 3.76Å; V60-L113 HydrophobicContact CG2-CG 4.09Å; F109-L113 WeakPolarHBondContact O-CG 3.49Å; F109-L113 PolarHBondContact O-N 3.36Å; S110-L113 PolarHBondContact O-N 2.96Å; L113-S115 PolarHBondContact O-N 2.89Å
114Q91.4Very high92.9Very high120 Ų12048.7 Ų48.756%0.56127%0.265SS*.THydrogen-bonded Turntrans-82.86.9172.2-65.617910.100113.6S110 D111 I112 S116S110-Q114 WeakPolarHBondContact O-CG 3.39Å; S110-Q114 PolarHBondContact O-N 3.15Å; D111-Q114 CarbonylContact O-C 3.59Å; D111-Q114 PolarHBondContact O-N 3.16Å; I112-Q114 PolarHBondContact O-N 3.35Å; Q114-S116 PolarHBondContact O-N 3.35Å; Q114-S116 VanDerWaalsContact O-N 3.15Å
115S86.9Confident93Very high111 Ų11147.1 Ų47.178%0.77626%0.257SS*.THydrogen-bonded Turntrans58.420.6-176.6-50.10000114.8D111 I112 L113D111-S115 PolarHBondContact O-N 3.21Å; I112-S115 WeakPolarHBondContact O-CA 3.47Å; I112-S115 PolarHBondContact O-N 2.91Å; L113-S115 PolarHBondContact O-N 2.89Å
116S90.1Very high93.2Very high86 Ų8646.7 Ų46.760%0.60126%0.255SS*.SBendtrans-88-19.4178.1-63.80000113D111 Q114D111-S116 WeakPolarHBondContact O-CA 3.23Å; D111-S116 WeakPolarHBondContact O-CB 3.38Å; D111-S116 PolarHBondContact O-N 2.85Å; Q114-S116 PolarHBondContact O-N 3.35Å; Q114-S116 VanDerWaalsContact O-N 3.15Å
117R90.9Very high93.4Very high108 Ų10846 Ų4641%0.40825%0.252SS..SBendtrans-132.3159.5175.8-81.3-169.5-156.7-169.47.1112D111 I112 D121D111-R117 HydrophobicContact CB-CB 3.89Å; D111-R117 HydrophobicContact CB-CG 3.75Å; D111-R117 PolarHBondContact O-N 2.84Å; D111-R117 IonicContact OD2-CZ 3.37Å; D111-R117 IonicContact OD2-NE 3Å; D111-R117 PolarHBondContact OD2-NE 3.21Å; D111-R117 IonicContact OD2-NH2 3.13Å; D111-R117 PolarHBondContact OD2-NH2 3.28Å; I112-R117 HydrophobicContact CG1-CB 3.92Å; R117-D121 VanDerWaalsContact CB-OD2 3.3Å; R117-D121 WeakPolarHBondContact CB-OD2 3.23Å
118H94.2Very high93.5Very high100 Ų10049.4 Ų49.446%0.46326%0.263SS..  trans-87.5150.1175.3-161.4-75.4000110R67 D120 D121R67-H118 PolarHBondContact NH1-CE1 3.38Å; R67-H118 PolarHBondContact NH1-ND1 3.02Å; H118-D120 PolarHBondContact ND1-N 3.37Å; H118-D120 VanDerWaalsContact ND1-N 3.19Å; H118-D120 IonicContact ND1-OD1 3.09Å; H118-D120 PolarHBondContact O-N 3.01Å; H118-D121 PolarHBondContact N-OD2 3.2Å; H118-D121 WeakPolarHBondContact O-CB 3.04Å; H118-D121 PolarHBondContact O-N 3.15Å
119V94.4Very high93.6Very high10 Ų1049.4 Ų49.46%0.06126%0.263CS..G310 helixtrans-55.8-19.1173.7-61.70000113.7V60 Q63 F64 R67 I112 D121 L122V60-V119 HydrophobicContact CG1-CG1 4.3Å; Q63-V119 HydrophobicContact CB-CG1 4.12Å; F64-V119 WeakPolarHBondContact CD2-O 3.48Å; R67-V119 HydrophobicContact CG-CG2 4.41Å; I112-V119 HydrophobicContact CG2-CG1 3.79Å; V119-D121 PolarHBondContact O-N 2.9Å; V119-L122 WeakPolarHBondContact O-CB 3.39Å; V119-L122 PolarHBondContact O-N 3.09Å
120D94.4Very high93.6Very high40 Ų4049.4 Ų49.421%0.21426%0.263CS..G310 helixtrans-71.1-23.5179.7-827.1000112.9R67 I70 H118 L122 F123R67-D120 VanDerWaalsContact CD-OD1 3.26Å; R67-D120 WeakPolarHBondContact CD-OD1 3.45Å; R67-D120 IonicContact CZ-OD1 3.46Å; R67-D120 IonicContact CZ-OD2 3.45Å; R67-D120 IonicContact NE-OD1 3.22Å; R67-D120 IonicContact NH1-OD1 3.87Å; R67-D120 PolarHBondContact NH1-OD1 2.62Å; R67-D120 IonicContact NH1-OD2 3.39Å; R67-D120 PolarHBondContact NH1-OD2 3.1Å; R67-D120 IonicContact NH2-OD2 2.7Å; I70-D120 HydrophobicContact CD1-CB 4.41Å; I70-D120 WeakPolarHBondContact CD1-OD1 3.31Å; H118-D120 PolarHBondContact ND1-N 3.37Å; H118-D120 VanDerWaalsContact ND1-N 3.19Å; H118-D120 IonicContact ND1-OD1 3.09Å; H118-D120 PolarHBondContact O-N 3.01Å; D120-L122 PolarHBondContact O-N 3.29Å; D120-F123 VanDerWaalsContact O-CB 3.22Å; D120-F123 WeakPolarHBondContact O-CB 3.39Å; D120-F123 PolarHBondContact O-N 2.62Å
121D94.4Very high93.6Very high72 Ų7252.9 Ų52.939%0.38527%0.274SS..G310 helixtrans-66-12179.9-59.6-32000111.4T108 R117 H118 V119 F123 P124T108-D121 HydrophobicContact CG2-CB 4.37Å; R117-D121 VanDerWaalsContact CB-OD2 3.3Å; R117-D121 WeakPolarHBondContact CB-OD2 3.23Å; H118-D121 PolarHBondContact N-OD2 3.2Å; H118-D121 WeakPolarHBondContact O-CB 3.04Å; H118-D121 PolarHBondContact O-N 3.15Å; V119-D121 PolarHBondContact O-N 2.9Å; D121-F123 VanDerWaalsContact C-N 3.29Å; D121-P124 WeakPolarHBondContact O-CD 3.14Å
122L96.2Very high93.5Very high0 Ų055.7 Ų55.70%029%0.287CS..G310 helixtrans-72.5-17.6168.8-72.2172.6000113.5V60 F64 L105 T108 F109 I112 V119 D120 L125 F126V60-L122 HydrophobicContact CG1-CD1 3.49Å; V60-L122 VanDerWaalsContact CG1-CD1 3.49Å; F64-L122 HydrophobicContact CB-CD1 4.41Å; F64-L122 HydrophobicContact CD2-CB 3.93Å; F64-L122 HydrophobicContact CE2-CB 3.87Å; F64-L122 HydrophobicContact CG-CB 4.46Å; F64-L122 HydrophobicContact CG-CD1 4.46Å; F64-L122 HydrophobicContact CZ-CB 4.4Å; L105-L122 HydrophobicContact CD2-CD2 4.34Å; T108-L122 HydrophobicContact CG2-CD2 3.61Å; T108-L122 HydrophobicContact CG2-CG 4.06Å; F109-L122 HydrophobicContact CE1-CD1 4.02Å; F109-L122 HydrophobicContact CE1-CD2 4.3Å; F109-L122 HydrophobicContact CZ-CD1 4.49Å; F109-L122 HydrophobicContact CZ-CD2 4.25Å; I112-L122 HydrophobicContact CD1-CD1 3.94Å; I112-L122 HydrophobicContact CD1-CD2 4.32Å; I112-L122 HydrophobicContact CD1-CG 3.73Å; V119-L122 WeakPolarHBondContact O-CB 3.39Å; V119-L122 PolarHBondContact O-N 3.09Å; D120-L122 PolarHBondContact O-N 3.29Å; L122-L125 HydrophobicContact CD2-CD1 4.46Å; L122-L125 PolarHBondContact O-N 2.87Å; L122-L125 VanDerWaalsContact O-N 3.12Å; L122-F126 WeakPolarHBondContact O-CB 3.25Å; L122-F126 PolarHBondContact O-N 3.41Å
123F96.6Very high93.4Very high15 Ų1555.1 Ų55.17%0.06628%0.283CS..Hα-helixtrans-57.5-46.8-172.2-177.8-99.7000114F64 I70 L73 Y77 D120 D121 L125 F126 L127F64-F123 HydrophobicContact CE2-CB 4.1Å; F64-F123 HydrophobicContact CZ-CB 4.34Å; F64-F123 HydrophobicContact CZ-CD2 4.27Å; I70-F123 HydrophobicContact CD1-CB 3.98Å; I70-F123 HydrophobicContact CD1-CD2 4.02Å; I70-F123 HydrophobicContact CD1-CG 4.31Å; I70-F123 HydrophobicContact CG2-CD2 4.28Å; L73-F123 HydrophobicContact CB-CE2 4.23Å; L73-F123 HydrophobicContact CB-CZ 4.11Å; L73-F123 HydrophobicContact CD2-CD1 3.39Å; L73-F123 HydrophobicContact CD2-CD2 4.12Å; L73-F123 HydrophobicContact CD2-CE1 3.32Å; L73-F123 HydrophobicContact CD2-CE2 4.05Å; L73-F123 HydrophobicContact CD2-CG 3.81Å; L73-F123 HydrophobicContact CD2-CZ 3.67Å; L73-F123 HydrophobicContact CG-CD1 4.15Å; L73-F123 HydrophobicContact CG-CE1 3.54Å; L73-F123 HydrophobicContact CG-CE2 4.04Å; L73-F123 HydrophobicContact CG-CZ 3.48Å; L73-F123 VanDerWaalsContact CG-CZ 3.48Å; Y77-F123 HydrophobicContact CD2-CE1 4.09Å; Y77-F123 AromaticContact CD2-CZ 3.81Å; Y77-F123 HydrophobicContact CD2-CZ 3.81Å; Y77-F123 AromaticContact CE2-CE1 3.82Å; Y77-F123 HydrophobicContact CE2-CE1 3.82Å; Y77-F123 HydrophobicContact CE2-CZ 4.01Å; D120-F123 VanDerWaalsContact O-CB 3.22Å; D120-F123 WeakPolarHBondContact O-CB 3.39Å; D120-F123 PolarHBondContact O-N 2.62Å; D121-F123 VanDerWaalsContact C-N 3.29Å; F123-L125 VanDerWaalsContact C-N 3.27Å; F123-L125 PolarHBondContact O-N 3.28Å; F123-F126 HydrophobicContact CD2-CD1 4.31Å; F123-F126 HydrophobicContact CE2-CD1 4.43Å; F123-F126 PolarHBondContact O-N 2.81Å; F123-L127 HydrophobicContact CE1-CB 4.43Å; F123-L127 HydrophobicContact CE1-CD2 4.04Å; F123-L127 HydrophobicContact CZ-CB 4.45Å; F123-L127 HydrophobicContact CZ-CD2 4.3Å; F123-L127 WeakPolarHBondContact O-CB 3.33Å; F123-L127 PolarHBondContact O-N 3.38Å
124P95.3Very high93.3Very high84 Ų8451.6 Ų51.655%0.54527%0.265SS..Hα-helixtrans-61.3-35.7177.6-22.935.1000113D121 K128D121-P124 WeakPolarHBondContact O-CD 3.14Å; P124-K128 VanDerWaalsContact O-CB 3.3Å; P124-K128 WeakPolarHBondContact O-CB 3.46Å; P124-K128 PolarHBondContact O-N 2.99Å
125L95.8Very high93.1Very high26 Ų2648.2 Ų48.214%0.13625%0.254CS..Hα-helixtrans-73-41178.4-57.3178.6000111.4D104 L105 T108 L122 F123 K128 H129D104-L125 HydrophobicContact CB-CD1 4.48Å; D104-L125 HydrophobicContact CB-CD2 3.93Å; D104-L125 WeakPolarHBondContact OD2-CD2 3.3Å; L105-L125 HydrophobicContact CD2-CB 3.88Å; L105-L125 HydrophobicContact CD2-CD1 3.68Å; L105-L125 HydrophobicContact CD2-CG 4.39Å; L105-L125 HydrophobicContact CG-CD1 4.04Å; T108-L125 HydrophobicContact CG2-CD1 4.38Å; L122-L125 HydrophobicContact CD2-CD1 4.46Å; L122-L125 PolarHBondContact O-N 2.87Å; L122-L125 VanDerWaalsContact O-N 3.12Å; F123-L125 VanDerWaalsContact C-N 3.27Å; F123-L125 PolarHBondContact O-N 3.28Å; L125-K128 PolarHBondContact O-N 2.95Å; L125-H129 PolarHBondContact O-N 3.48Å
126F96.4Very high93Very high0 Ų043 Ų430%022%0.217CC..Hα-helixtrans-61.9-45.5172.2169.8-114.9000111.5F64 L79 F84 A87 M88 F91 L122 F123 H129 A130F64-F126 HydrophobicContact CE1-CB 3.87Å; F64-F126 AromaticContact CE1-CD1 3.8Å; F64-F126 HydrophobicContact CE1-CD1 3.8Å; F64-F126 HydrophobicContact CE1-CD2 4.23Å; F64-F126 HydrophobicContact CE1-CE1 4.39Å; F64-F126 AromaticContact CE1-CG 3.68Å; F64-F126 HydrophobicContact CE1-CG 3.68Å; F64-F126 HydrophobicContact CZ-CB 3.71Å; F64-F126 AromaticContact CZ-CD1 3.78Å; F64-F126 HydrophobicContact CZ-CD1 3.78Å; F64-F126 AromaticContact CZ-CG 3.85Å; F64-F126 HydrophobicContact CZ-CG 3.85Å; L79-F126 HydrophobicContact CD2-CD1 4.39Å; L79-F126 HydrophobicContact CD2-CE1 3.41Å; L79-F126 VanDerWaalsContact CD2-CE1 3.41Å; L79-F126 HydrophobicContact CD2-CZ 3.56Å; F84-F126 HydrophobicContact CD2-CE1 4.07Å; F84-F126 HydrophobicContact CD2-CZ 4.05Å; F84-F126 AromaticContact CE2-CE1 3.78Å; F84-F126 HydrophobicContact CE2-CE1 3.78Å; F84-F126 AromaticContact CE2-CZ 3.94Å; F84-F126 HydrophobicContact CE2-CZ 3.94Å; A87-F126 HydrophobicContact CB-CE2 3.99Å; A87-F126 HydrophobicContact CB-CZ 4Å; M88-F126 HydrophobicContact CB-CE2 4.31Å; M88-F126 HydrophobicContact CB-CZ 4.49Å; M88-F126 HydrophobicContact SD-CD2 4.3Å; M88-F126 HydrophobicContact SD-CE2 3.96Å; M88-F126 HydrophobicContact SD-CZ 4.39Å; F91-F126 HydrophobicContact CB-CD2 3.94Å; F91-F126 HydrophobicContact CB-CE2 4.19Å; F91-F126 HydrophobicContact CD1-CB 4.35Å; F91-F126 AromaticContact CD1-CD2 3.67Å; F91-F126 HydrophobicContact CD1-CD2 3.67Å; F91-F126 HydrophobicContact CD1-CG 4.45Å; F91-F126 HydrophobicContact CE1-CB 4.1Å; F91-F126 HydrophobicContact CE1-CD2 4.28Å; F91-F126 AromaticContact CG-CD2 3.82Å; F91-F126 HydrophobicContact CG-CD2 3.82Å; F91-F126 HydrophobicContact CZ-CB 4.33Å; L122-F126 WeakPolarHBondContact O-CB 3.25Å; L122-F126 PolarHBondContact O-N 3.41Å; F123-F126 HydrophobicContact CD2-CD1 4.31Å; F123-F126 HydrophobicContact CE2-CD1 4.43Å; F123-F126 PolarHBondContact O-N 2.81Å; F126-H129 CarbonylContact O-C 3.45Å; F126-H129 WeakPolarHBondContact O-CB 3.15Å; F126-H129 PolarHBondContact O-N 2.81Å; F126-A130 WeakPolarHBondContact O-CB 3.44Å; F126-A130 PolarHBondContact O-N 3.13Å
127L94.3Very high92.9Very high12 Ų1239.7 Ų39.76%0.06319%0.193CC..Hα-helixtrans-64.3-41.2178.3-177.161.3000111.4Y77 F123 H129 A130 R131Y77-L127 HydrophobicContact CD1-CD2 3.82Å; Y77-L127 HydrophobicContact CD2-CD2 4.04Å; Y77-L127 HydrophobicContact CE1-CD2 3.89Å; Y77-L127 HydrophobicContact CE2-CD2 4.15Å; Y77-L127 HydrophobicContact CG-CD1 4.12Å; Y77-L127 HydrophobicContact CG-CD2 3.89Å; F123-L127 HydrophobicContact CE1-CB 4.43Å; F123-L127 HydrophobicContact CE1-CD2 4.04Å; F123-L127 HydrophobicContact CZ-CB 4.45Å; F123-L127 HydrophobicContact CZ-CD2 4.3Å; F123-L127 WeakPolarHBondContact O-CB 3.33Å; F123-L127 PolarHBondContact O-N 3.38Å; L127-H129 VanDerWaalsContact C-N 3.33Å; L127-H129 PolarHBondContact O-N 3.37Å; L127-A130 PolarHBondContact O-N 3.07Å; L127-R131 WeakPolarHBondContact O-CG 3.4Å; L127-R131 PolarHBondContact O-N 3.33Å
128K94.1Very high92.7Very high114 Ų11441.3 Ų41.350%0.49621%0.205SC..Hα-helixtrans-58.3-43.9172179.7-177.6173.7-172.90111.5D104 P124 L125 Q132D104-K128 IonicContact OD2-NZ 3.27Å; D104-K128 PolarHBondContact OD2-NZ 3.04Å; P124-K128 VanDerWaalsContact O-CB 3.3Å; P124-K128 WeakPolarHBondContact O-CB 3.46Å; P124-K128 PolarHBondContact O-N 2.99Å; L125-K128 PolarHBondContact O-N 2.95Å; K128-Q132 PolarHBondContact O-N 3.18Å
129H94.7Very high92.4Very high7 Ų737.1 Ų37.13%0.03219%0.186CC..Hα-helixtrans-65.3-43.9174.1-171.889.9000111.9S90 F91 F94 L125 F126 L127 R131 Q132 V133S90-H129 PolarHBondContact OG-NE2 3.4Å; F91-H129 WeakPolarHBondContact CA-NE2 3.25Å; F91-H129 HydrophobicContact CD2-CB 3.62Å; F91-H129 AromaticContact CD2-CD2 3.91Å; F91-H129 AromaticContact CD2-CG 3.54Å; F91-H129 AromaticContact CD2-ND1 3.94Å; F91-H129 HydrophobicContact CE2-CB 4.11Å; F91-H129 HydrophobicContact CG-CB 4.49Å; F91-H129 PolarHBondContact N-NE2 3.16Å; F94-H129 WeakPolarHBondContact CB-CE1 3.16Å; F94-H129 AromaticContact CD1-ND1 3.93Å; F94-H129 AromaticContact CD2-CE1 3.91Å; F94-H129 AromaticContact CG-CE1 3.5Å; F94-H129 AromaticContact CG-ND1 3.86Å; L125-H129 PolarHBondContact O-N 3.48Å; F126-H129 CarbonylContact O-C 3.45Å; F126-H129 WeakPolarHBondContact O-CB 3.15Å; F126-H129 PolarHBondContact O-N 2.81Å; L127-H129 VanDerWaalsContact C-N 3.33Å; L127-H129 PolarHBondContact O-N 3.37Å; H129-R131 VanDerWaalsContact C-N 3.31Å; H129-R131 PolarHBondContact O-N 2.69Å; H129-Q132 WeakPolarHBondContact O-CB 3.2Å; H129-Q132 PolarHBondContact O-N 2.88Å; H129-V133 WeakPolarHBondContact O-CG2 3.25Å; H129-V133 PolarHBondContact O-N 2.8Å; H129-V133 VanDerWaalsContact O-N 3.08Å
130A94.6Very high92.1Very high0 Ų038.2 Ų38.20%019%0.192CC..Hα-helixtrans-60.8-38.7179.900000112L79 A87 F126 L127 Q132 V133 F134 L137L79-A130 HydrophobicContact CD1-CB 4.12Å; L79-A130 HydrophobicContact CD2-CB 3.66Å; A87-A130 HydrophobicContact CB-CB 3.9Å; F126-A130 WeakPolarHBondContact O-CB 3.44Å; F126-A130 PolarHBondContact O-N 3.13Å; L127-A130 PolarHBondContact O-N 3.07Å; A130-Q132 VanDerWaalsContact C-N 3.3Å; A130-Q132 PolarHBondContact O-N 3.48Å; A130-V133 CarbonylContact O-C 3.16Å; A130-V133 WeakPolarHBondContact O-CB 3.41Å; A130-V133 PolarHBondContact O-N 3.47Å; A130-V133 VanDerWaalsContact O-N 3.14Å; A130-F134 WeakPolarHBondContact O-CB 3.3Å; A130-F134 PolarHBondContact O-N 2.94Å; A130-L137 HydrophobicContact CB-CD1 4.44Å
131R92.4Very high91.9Very high82 Ų8243 Ų4331%0.30921%0.213SC..Hα-helixtrans-63.2-32.7172.8-75.1171172.3170.31.5113.2L127 H129 F134 P135 L137 E138L127-R131 WeakPolarHBondContact O-CG 3.4Å; L127-R131 PolarHBondContact O-N 3.33Å; H129-R131 VanDerWaalsContact C-N 3.31Å; H129-R131 PolarHBondContact O-N 2.69Å; R131-F134 CarbonylContact O-C 3.33Å; R131-F134 PolarHBondContact O-N 2.97Å; R131-P135 VanDerWaalsContact O-CA 3.3Å; R131-P135 WeakPolarHBondContact O-CA 3.39Å; R131-L137 HydrophobicContact CG-CB 4.16Å; R131-E138 HydrophobicContact CB-CG 3.99Å; R131-E138 HydrophobicContact CG-CG 3.81Å
132Q90.2Very high91.9Very high96 Ų9642.8 Ų42.845%0.44921%0.21SC..Hα-helixtrans-70.6-34.5172.7-63.9178.8-8.800112.2V33 V35 K128 H129 A130V33-Q132 WeakPolarHBondContact CB-O 3.3Å; V35-Q132 VanDerWaalsContact CG1-OE1 3.32Å; V35-Q132 HydrophobicContact CG2-CB 3.68Å; K128-Q132 PolarHBondContact O-N 3.18Å; H129-Q132 WeakPolarHBondContact O-CB 3.2Å; H129-Q132 PolarHBondContact O-N 2.88Å; A130-Q132 VanDerWaalsContact C-N 3.3Å; A130-Q132 PolarHBondContact O-N 3.48Å
133V91.3Very high91.7Very high1 Ų142.8 Ų42.81%0.00621%0.21CC..Hα-helixtrans-72.5-37.6174.3-1790000110.9P32 V33 V35 S90 H129 A130P32-V133 CarbonylContact C-O 3.59Å; P32-V133 WeakPolarHBondContact CA-O 3.37Å; P32-V133 HydrophobicContact CB-CG1 3.58Å; V33-V133 PolarHBondContact N-O 2.93Å; V35-V133 HydrophobicContact CG2-CG2 3.65Å; S90-V133 VanDerWaalsContact OG-CG2 3.27Å; S90-V133 WeakPolarHBondContact OG-CG2 3.33Å; H129-V133 WeakPolarHBondContact O-CG2 3.25Å; H129-V133 PolarHBondContact O-N 2.8Å; H129-V133 VanDerWaalsContact O-N 3.08Å; A130-V133 CarbonylContact O-C 3.16Å; A130-V133 WeakPolarHBondContact O-CB 3.41Å; A130-V133 PolarHBondContact O-N 3.47Å; A130-V133 VanDerWaalsContact O-N 3.14Å
134F91Very high91.5Very high0 Ų046.6 Ų46.60%023%0.228CC..  trans-130.881.4-173.7-65.2-61.5000110.2V30 P32 L79 F83 Q86 A87 A130 R131 H136 L137V30-F134 HydrophobicContact CG1-CD1 3.83Å; V30-F134 HydrophobicContact CG1-CE1 4.28Å; P32-F134 HydrophobicContact CB-CD1 4.47Å; P32-F134 HydrophobicContact CB-CE1 3.72Å; P32-F134 HydrophobicContact CB-CZ 3.96Å; L79-F134 HydrophobicContact CD1-CD2 4.06Å; L79-F134 HydrophobicContact CD1-CE2 4.32Å; F83-F134 HydrophobicContact CB-CD2 4.47Å; F83-F134 HydrophobicContact CB-CE2 4.04Å; F83-F134 HydrophobicContact CB-CZ 4.29Å; F83-F134 HydrophobicContact CD1-CD1 4.17Å; F83-F134 AromaticContact CD1-CE1 3.63Å; F83-F134 HydrophobicContact CD1-CE1 3.63Å; F83-F134 HydrophobicContact CD1-CE2 4.2Å; F83-F134 AromaticContact CD1-CZ 3.65Å; F83-F134 HydrophobicContact CD1-CZ 3.65Å; F83-F134 HydrophobicContact CE1-CD1 4.28Å; F83-F134 AromaticContact CE1-CE1 3.91Å; F83-F134 HydrophobicContact CE1-CE1 3.91Å; F83-F134 HydrophobicContact CE1-CZ 4.39Å; F83-F134 HydrophobicContact CG-CE2 4.47Å; F83-F134 HydrophobicContact CG-CZ 4.35Å; F83-F134 WeakPolarHBondContact O-CE2 3.42Å; Q86-F134 HydrophobicContact CB-CE2 4.27Å; Q86-F134 HydrophobicContact CB-CZ 3.83Å; Q86-F134 VanDerWaalsContact OE1-CZ 3.31Å; A87-F134 HydrophobicContact CB-CD2 4.34Å; A87-F134 HydrophobicContact CB-CE2 3.97Å; A130-F134 WeakPolarHBondContact O-CB 3.3Å; A130-F134 PolarHBondContact O-N 2.94Å; R131-F134 CarbonylContact O-C 3.33Å; R131-F134 PolarHBondContact O-N 2.97Å; F134-H136 VanDerWaalsContact CB-CE1 3.48Å; F134-H136 WeakPolarHBondContact CB-CE1 3.47Å; F134-H136 AromaticContact CD1-CE1 3.8Å; F134-H136 AromaticContact CG-CE1 3.91Å; F134-H136 PolarHBondContact O-N 3.45Å; F134-H136 VanDerWaalsContact O-N 3.12Å; F134-L137 HydrophobicContact CB-CD1 3.67Å; F134-L137 HydrophobicContact CB-CG 3.78Å; F134-L137 HydrophobicContact CD2-CD1 4.41Å; F134-L137 HydrophobicContact CG-CD1 4.48Å; F134-L137 WeakPolarHBondContact O-CB 3.36Å; F134-L137 WeakPolarHBondContact O-CG 3.27Å; F134-L137 PolarHBondContact O-N 3.26Å
135P86.4Confident91.4Very high49 Ų4948.6 Ų48.632%0.31823%0.228SC..G310 helixtrans-59-27.9-175.7-27.736.3000114.4V33 R131 L137 E138 L487V33-P135 HydrophobicContact CG2-CG 4Å; R131-P135 VanDerWaalsContact O-CA 3.3Å; R131-P135 WeakPolarHBondContact O-CA 3.39Å; P135-L137 PolarHBondContact O-N 3.38Å; P135-L137 VanDerWaalsContact O-N 3.14Å; P135-E138 PolarHBondContact O-N 2.99Å; P135-E138 VanDerWaalsContact O-N 3.12Å; P135-L487 HydrophobicContact CB-CD2 4.41Å
136H85.7Confident91.3Very high2 Ų248.7 Ų48.71%0.00923%0.228CC..G310 helixtrans-59.8-23.3177.169.8-90.7000113.2F26 V30 F83 F134 E138 C139 L140 L143 L487F26-H136 AromaticContact CE1-CD2 3.64Å; F26-H136 AromaticContact CE1-NE2 3.51Å; F26-H136 AromaticContact CZ-CD2 3.4Å; F26-H136 VanDerWaalsContact CZ-CD2 3.4Å; F26-H136 WeakPolarHBondContact CZ-CD2 3.31Å; F26-H136 AromaticContact CZ-CG 3.97Å; F26-H136 AromaticContact CZ-NE2 3.7Å; V30-H136 WeakPolarHBondContact CG1-ND1 3.24Å; F83-H136 AromaticContact CE2-NE2 3.79Å; F83-H136 AromaticContact CZ-CE1 3.96Å; F134-H136 VanDerWaalsContact CB-CE1 3.48Å; F134-H136 WeakPolarHBondContact CB-CE1 3.47Å; F134-H136 AromaticContact CD1-CE1 3.8Å; F134-H136 AromaticContact CG-CE1 3.91Å; F134-H136 PolarHBondContact O-N 3.45Å; F134-H136 VanDerWaalsContact O-N 3.12Å; H136-E138 PolarHBondContact O-N 2.71Å; H136-C139 CarbonylContact O-C 3.59Å; H136-C139 PolarHBondContact O-N 3.34Å; H136-C139 VanDerWaalsContact O-N 3.1Å; H136-L140 WeakPolarHBondContact O-CA 3.41Å; H136-L140 WeakPolarHBondContact O-CB 3.26Å; H136-L140 PolarHBondContact O-N 3Å; H136-L143 HydrophobicContact CB-CD1 4.08Å; H136-L487 HydrophobicContact CB-CD2 3.96Å
137L87.6Confident91.2Very high16 Ų1648.7 Ų48.78%0.08423%0.228CC..G310 helixtrans-64.9-17.5178.1-62.2178000112.9L79 A130 R131 F134 P135L79-L137 HydrophobicContact CB-CD1 4.46Å; L79-L137 HydrophobicContact CD1-CD1 3.91Å; A130-L137 HydrophobicContact CB-CD1 4.44Å; R131-L137 HydrophobicContact CG-CB 4.16Å; F134-L137 HydrophobicContact CB-CD1 3.67Å; F134-L137 HydrophobicContact CB-CG 3.78Å; F134-L137 HydrophobicContact CD2-CD1 4.41Å; F134-L137 HydrophobicContact CG-CD1 4.48Å; F134-L137 WeakPolarHBondContact O-CB 3.36Å; F134-L137 WeakPolarHBondContact O-CG 3.27Å; F134-L137 PolarHBondContact O-N 3.26Å; P135-L137 PolarHBondContact O-N 3.38Å; P135-L137 VanDerWaalsContact O-N 3.14Å
138E86.7Confident91.2Very high141 Ų14150.6 Ų50.666%0.65924%0.238SC*.G310 helixtrans-84-20.5175.6-64.1-169.2155.200113.1R131 P135 H136R131-E138 HydrophobicContact CB-CG 3.99Å; R131-E138 HydrophobicContact CG-CG 3.81Å; P135-E138 PolarHBondContact O-N 2.99Å; P135-E138 VanDerWaalsContact O-N 3.12Å; H136-E138 PolarHBondContact O-N 2.71Å
139C88.7Confident91.3Very high12 Ų1245.2 Ų45.28%0.08122%0.215CC..THydrogen-bonded Turntrans-131.614.1-171.155.90000113.2H136 E141 E142 L143 Y486H136-C139 CarbonylContact O-C 3.59Å; H136-C139 PolarHBondContact O-N 3.34Å; H136-C139 VanDerWaalsContact O-N 3.1Å; C139-E141 VanDerWaalsContact C-N 3.31Å; C139-E141 PolarHBondContact O-N 2.57Å; C139-E142 PolarHBondContact O-N 2.81Å; C139-L143 WeakPolarHBondContact O-CG 3.22Å; C139-L143 PolarHBondContact O-N 3.03Å; C139-Y486 HydrophobicContact CB-CD1 3.49Å; C139-Y486 VanDerWaalsContact CB-CD1 3.49Å; C139-Y486 HydrophobicContact CB-CE1 4.15Å; C139-Y486 HydrophobicContact CB-CG 3.99Å
140L88.2Confident91.2Very high33 Ų3351.3 Ų51.317%0.17324%0.238CC..Hα-helixtrans-55.2-46-174.1-176.361.8000111.9F26 H136 E142 L143 E144 L502F26-L140 HydrophobicContact CE1-CD1 4.21Å; F26-L140 HydrophobicContact CZ-CD1 4.02Å; H136-L140 WeakPolarHBondContact O-CA 3.41Å; H136-L140 WeakPolarHBondContact O-CB 3.26Å; H136-L140 PolarHBondContact O-N 3Å; L140-E142 VanDerWaalsContact C-N 3.3Å; L140-E142 PolarHBondContact O-N 3.23Å; L140-L143 PolarHBondContact O-N 2.91Å; L140-E144 HydrophobicContact CD1-CG 4.42Å; L140-E144 HydrophobicContact CG-CG 4.5Å; L140-E144 WeakPolarHBondContact O-CB 3.5Å; L140-E144 WeakPolarHBondContact O-CG 3.26Å; L140-E144 PolarHBondContact O-N 2.88Å; L140-L502 HydrophobicContact CD1-CD1 4.09Å; L140-L502 HydrophobicContact CD1-CD2 3.87Å
141E89.4Confident91.2Very high140 Ų14055.7 Ų55.765%0.65426%0.261SS*.Hα-helixtrans-59.9-38.1177.4-64.5-178.6-169.900112.7C139 K145C139-E141 VanDerWaalsContact C-N 3.31Å; C139-E141 PolarHBondContact O-N 2.57Å; E141-K145 VanDerWaalsContact O-CG 3.26Å; E141-K145 WeakPolarHBondContact O-CG 3.16Å; E141-K145 PolarHBondContact O-N 3.18Å; E141-K145 VanDerWaalsContact O-N 3.1Å
142E93.3Very high91.3Very high69 Ų6951.8 Ų51.832%0.32225%0.246SC..Hα-helixtrans-73.1-40.7178.3-63.9-56.2126.300111.3C139 L140 E144 K145 I146 Y486C139-E142 PolarHBondContact O-N 2.81Å; L140-E142 VanDerWaalsContact C-N 3.3Å; L140-E142 PolarHBondContact O-N 3.23Å; E142-E144 VanDerWaalsContact C-N 3.35Å; E142-K145 PolarHBondContact O-N 3.12Å; E142-K145 IonicContact OE1-NZ 2.72Å; E142-K145 PolarHBondContact OE1-NZ 2.84Å; E142-I146 WeakPolarHBondContact O-CD1 3.38Å; E142-I146 VanDerWaalsContact O-CG1 3.27Å; E142-I146 WeakPolarHBondContact O-CG1 3.35Å; E142-I146 PolarHBondContact O-N 3.19Å; E142-Y486 HydrophobicContact CB-CE1 4.1Å; E142-Y486 HydrophobicContact CB-CE2 4.02Å; E142-Y486 HydrophobicContact CG-CE1 4.28Å
143L93Very high91.4Very high0 Ų047.8 Ų47.80%023%0.227CC..Hα-helixtrans-60.6-45174.3-65.4177.5000111.1H136 C139 L140 K145 I146 S147 F483 Y486 L487 L502H136-L143 HydrophobicContact CB-CD1 4.08Å; C139-L143 WeakPolarHBondContact O-CG 3.22Å; C139-L143 PolarHBondContact O-N 3.03Å; L140-L143 PolarHBondContact O-N 2.91Å; L143-K145 PolarHBondContact O-N 2.82Å; L143-I146 PolarHBondContact O-N 3.12Å; L143-S147 PolarHBondContact O-N 3.43Å; L143-S147 PolarHBondContact O-OG 3.25Å; L143-F483 HydrophobicContact CB-CE1 4.26Å; L143-F483 HydrophobicContact CB-CE2 4.4Å; L143-F483 HydrophobicContact CB-CZ 3.94Å; L143-F483 HydrophobicContact CD2-CB 4.44Å; L143-F483 HydrophobicContact CD2-CD1 3.82Å; L143-F483 HydrophobicContact CD2-CD2 3.96Å; L143-F483 HydrophobicContact CD2-CE1 3.93Å; L143-F483 HydrophobicContact CD2-CE2 4.07Å; L143-F483 HydrophobicContact CD2-CG 3.82Å; L143-F483 HydrophobicContact CD2-CZ 4.04Å; L143-F483 WeakPolarHBondContact O-CE2 3.43Å; L143-F483 WeakPolarHBondContact O-CZ 3.49Å; L143-Y486 HydrophobicContact CD2-CD2 4.17Å; L143-Y486 HydrophobicContact CD2-CG 4.33Å; L143-L487 HydrophobicContact CD1-CD1 3.99Å; L143-L487 HydrophobicContact CD1-CG 4.38Å; L143-L502 HydrophobicContact CB-CD1 3.75Å; L143-L502 HydrophobicContact CD1-CD1 4.2Å
144E92.9Very high91.5Very high95 Ų9552.3 Ų52.344%0.44425%0.248SC..Hα-helixtrans-60.7-41.2176.5-75.2177.2169.400112.3L140 E142 S147 D148L140-E144 HydrophobicContact CD1-CG 4.42Å; L140-E144 HydrophobicContact CG-CG 4.5Å; L140-E144 WeakPolarHBondContact O-CB 3.5Å; L140-E144 WeakPolarHBondContact O-CG 3.26Å; L140-E144 PolarHBondContact O-N 2.88Å; E142-E144 VanDerWaalsContact C-N 3.35Å; E144-S147 CarbonylContact O-C 3.56Å; E144-S147 PolarHBondContact O-N 3.41Å; E144-D148 PolarHBondContact O-N 3.1Å; E144-D148 VanDerWaalsContact O-N 3.08Å
145K93.4Very high91.6Very high125 Ų12555.9 Ų55.954%0.54326%0.262SS..Hα-helixtrans-62.5-42.9174.4-73.1168.3-165.2166.80112E141 E142 L143 D148E141-K145 VanDerWaalsContact O-CG 3.26Å; E141-K145 WeakPolarHBondContact O-CG 3.16Å; E141-K145 PolarHBondContact O-N 3.18Å; E141-K145 VanDerWaalsContact O-N 3.1Å; E142-K145 PolarHBondContact O-N 3.12Å; E142-K145 IonicContact OE1-NZ 2.72Å; E142-K145 PolarHBondContact OE1-NZ 2.84Å; L143-K145 PolarHBondContact O-N 2.82Å; K145-D148 PolarHBondContact O-N 3.42Å
146I93.8Very high92Very high28 Ų2855 Ų5514%0.14425%0.252CS..Hα-helixtrans-69.5-35.8-179.4-65.1157.9000111.2E142 L143 D148 Q479 L482 F483 Y486E142-I146 WeakPolarHBondContact O-CD1 3.38Å; E142-I146 VanDerWaalsContact O-CG1 3.27Å; E142-I146 WeakPolarHBondContact O-CG1 3.35Å; E142-I146 PolarHBondContact O-N 3.19Å; L143-I146 PolarHBondContact O-N 3.12Å; I146-D148 VanDerWaalsContact C-N 3.32Å; I146-Q479 HydrophobicContact CG2-CB 4.2Å; I146-Q479 HydrophobicContact CG2-CG 4.14Å; I146-L482 HydrophobicContact CD1-CB 3.77Å; I146-L482 HydrophobicContact CD1-CD1 4.44Å; I146-L482 HydrophobicContact CG1-CB 4.39Å; I146-L482 HydrophobicContact CG1-CD1 4.26Å; I146-L482 HydrophobicContact CG2-CB 4.13Å; I146-L482 HydrophobicContact CG2-CD1 4.14Å; I146-F483 HydrophobicContact CB-CD2 4.18Å; I146-F483 HydrophobicContact CB-CE2 3.75Å; I146-F483 HydrophobicContact CG2-CD2 3.7Å; I146-F483 HydrophobicContact CG2-CE2 3.62Å; I146-Y486 HydrophobicContact CD1-CD2 4.03Å; I146-Y486 HydrophobicContact CD1-CE2 3.69Å
147S93.5Very high92.5Very high0 Ų061.6 Ų61.60%028%0.283CS..THydrogen-bonded Turntrans-90.214.2177.163.10000114.1L143 E144 L149 L502 S503 A504L143-S147 PolarHBondContact O-N 3.43Å; L143-S147 PolarHBondContact O-OG 3.25Å; E144-S147 CarbonylContact O-C 3.56Å; E144-S147 PolarHBondContact O-N 3.41Å; S147-L149 WeakPolarHBondContact O-CG 3.48Å; S147-L149 PolarHBondContact O-N 3.47Å; S147-L502 WeakPolarHBondContact OG-CB 3.48Å; S147-L502 PolarHBondContact OG-O 3Å; S147-S503 VanDerWaalsContact O-CA 3.29Å; S147-S503 WeakPolarHBondContact O-CA 3.49Å; S147-A504 PolarHBondContact O-N 3.22Å
148D94.4Very high92.9Very high53 Ų5365.2 Ų65.228%0.28330%0.299SS..BIsolated β-bridgetrans-78.2107.1171.5-171.4-7.2000110.3E144 K145 I146 R150E144-D148 PolarHBondContact O-N 3.1Å; E144-D148 VanDerWaalsContact O-N 3.08Å; K145-D148 PolarHBondContact O-N 3.42Å; I146-D148 VanDerWaalsContact C-N 3.32Å; D148-R150 WeakPolarHBondContact OD1-CB 3.42Å; D148-R150 VanDerWaalsContact OD1-CG 3.3Å; D148-R150 WeakPolarHBondContact OD1-CG 3.37Å; D148-R150 IonicContact OD1-CZ 2.66Å; D148-R150 PolarHBondContact OD1-N 3.37Å; D148-R150 VanDerWaalsContact OD1-N 3.1Å; D148-R150 IonicContact OD1-NE 2.72Å; D148-R150 PolarHBondContact OD1-NE 2.92Å; D148-R150 IonicContact OD1-NH2 2.86Å; D148-R150 IonicContact OD2-CZ 3.31Å; D148-R150 IonicContact OD2-NE 3.09Å; D148-R150 PolarHBondContact OD2-NE 3.37Å; D148-R150 IonicContact OD2-NH2 3.88Å; D148-R150 PolarHBondContact OD2-NH2 3.01Å
149L95.2Very high93.4Very high1 Ų158.5 Ų58.51%0.00527%0.268CS..  trans-111.321.5-177-42.7179.9000112.4S147 L151 P152 W155 L473 Q479 F499 A504 M512S147-L149 WeakPolarHBondContact O-CG 3.48Å; S147-L149 PolarHBondContact O-N 3.47Å; L149-L151 VanDerWaalsContact C-N 3.3Å; L149-L151 PolarHBondContact O-N 3.29Å; L149-P152 WeakPolarHBondContact O-CD 3.42Å; L149-W155 HydrophobicContact CB-CH2 4.28Å; L149-W155 HydrophobicContact CB-CZ2 4.03Å; L149-W155 HydrophobicContact CD2-CH2 3.7Å; L149-W155 HydrophobicContact CD2-CZ2 3.47Å; L149-W155 VanDerWaalsContact CD2-CZ2 3.47Å; L149-W155 HydrophobicContact CG-CH2 4.42Å; L149-W155 HydrophobicContact CG-CZ2 4.31Å; L149-L473 HydrophobicContact CB-CD1 4.05Å; L149-Q479 VanDerWaalsContact CD2-NE2 3.26Å; L149-F499 HydrophobicContact CD1-CE1 4.02Å; L149-F499 HydrophobicContact CD1-CZ 4.16Å; L149-F499 HydrophobicContact CD2-CZ 3.94Å; L149-A504 CarbonylContact C-O 3.53Å; L149-A504 WeakPolarHBondContact CA-O 3.38Å; L149-A504 WeakPolarHBondContact CB-O 3.45Å; L149-A504 PolarHBondContact N-O 3.21Å; L149-M512 HydrophobicContact CD1-CE 3.36Å
150R94.1Very high93.8Very high134 Ų13460.9 Ų60.951%0.50628%0.275SS..SBendtrans-72.4-21.8-179-67.6176.3-68.6-179.1-0.2113.7D148 P152 A504D148-R150 WeakPolarHBondContact OD1-CB 3.42Å; D148-R150 VanDerWaalsContact OD1-CG 3.3Å; D148-R150 WeakPolarHBondContact OD1-CG 3.37Å; D148-R150 IonicContact OD1-CZ 2.66Å; D148-R150 PolarHBondContact OD1-N 3.37Å; D148-R150 VanDerWaalsContact OD1-N 3.1Å; D148-R150 IonicContact OD1-NE 2.72Å; D148-R150 PolarHBondContact OD1-NE 2.92Å; D148-R150 IonicContact OD1-NH2 2.86Å; D148-R150 IonicContact OD2-CZ 3.31Å; D148-R150 IonicContact OD2-NE 3.09Å; D148-R150 PolarHBondContact OD2-NE 3.37Å; D148-R150 IonicContact OD2-NH2 3.88Å; D148-R150 PolarHBondContact OD2-NH2 3.01Å; R150-P152 VanDerWaalsContact C-CD 3.46Å; R150-A504 HydrophobicContact CG-CB 4.28Å
151L93.3Very high94.1Very high93 Ų9363.3 Ų63.349%0.48730%0.295SS..  trans-12957.7-176.1-59.2173.9000112.7L149 Q153 H154L149-L151 VanDerWaalsContact C-N 3.3Å; L149-L151 PolarHBondContact O-N 3.29Å; L151-Q153 VanDerWaalsContact CD2-NE2 3.32Å; L151-Q153 PolarHBondContact O-N 3.41Å; L151-Q153 VanDerWaalsContact O-N 3.15Å; L151-H154 PolarHBondContact O-N 3.41Å; L151-H154 VanDerWaalsContact O-N 3.1Å
152P95.3Very high94.4Very high0 Ų058.5 Ų58.50%027%0.274CS..G310 helixtrans-63.1-21.2-176.428.1-35.6000113.9L149 R150 H154 W155 Y156 L273 L473 F510L149-P152 WeakPolarHBondContact O-CD 3.42Å; R150-P152 VanDerWaalsContact C-CD 3.46Å; P152-H154 PolarHBondContact O-N 3.04Å; P152-W155 HydrophobicContact CB-CD2 4.06Å; P152-W155 HydrophobicContact CB-CE3 4.09Å; P152-W155 HydrophobicContact CB-CH2 3.95Å; P152-W155 HydrophobicContact CB-CZ2 3.93Å; P152-W155 HydrophobicContact CB-CZ3 4.04Å; P152-W155 WeakPolarHBondContact O-CB 3.35Å; P152-W155 PolarHBondContact O-N 3.12Å; P152-Y156 WeakPolarHBondContact O-CE2 3.47Å; P152-L273 HydrophobicContact CB-CD1 4.03Å; P152-L273 HydrophobicContact CG-CD1 3.96Å; P152-L473 HydrophobicContact CB-CD2 4Å; P152-L473 HydrophobicContact CG-CD1 4.38Å; P152-L473 HydrophobicContact CG-CD2 4.2Å; P152-F510 HydrophobicContact CG-CD1 4.43Å; P152-F510 HydrophobicContact CG-CD2 4.42Å; P152-F510 HydrophobicContact CG-CE1 3.73Å; P152-F510 HydrophobicContact CG-CE2 3.72Å; P152-F510 HydrophobicContact CG-CZ 3.3Å
153Q93Very high94.5Very high12 Ų1263.9 Ų63.96%0.05630%0.299CS..G310 helixtrans-57.5-27.2173.260.8-92.932.600113.7L151 I299L151-Q153 VanDerWaalsContact CD2-NE2 3.32Å; L151-Q153 PolarHBondContact O-N 3.41Å; L151-Q153 VanDerWaalsContact O-N 3.15Å; Q153-I299 HydrophobicContact CB-CD1 4.27Å; Q153-I299 HydrophobicContact CB-CG2 3.69Å; Q153-I299 HydrophobicContact CG-CG2 3.59Å
154H92.2Very high94.7Very high95 Ų9564.1 Ų64.144%0.4430%0.3SS..G310 helixtrans-87.8-3.7-176.6-64.4161.9000113.4L151 P152 Y156L151-H154 PolarHBondContact O-N 3.41Å; L151-H154 VanDerWaalsContact O-N 3.1Å; P152-H154 PolarHBondContact O-N 3.04Å; H154-Y156 PolarHBondContact O-N 2.76Å
155W93.3Very high94.9Very high76 Ų7664.6 Ų64.629%0.28830%0.3SS..G310 helixtrans-73.3-16.6178.2-57.6-9.7000113.1L149 P152 L473L149-W155 HydrophobicContact CB-CH2 4.28Å; L149-W155 HydrophobicContact CB-CZ2 4.03Å; L149-W155 HydrophobicContact CD2-CH2 3.7Å; L149-W155 HydrophobicContact CD2-CZ2 3.47Å; L149-W155 VanDerWaalsContact CD2-CZ2 3.47Å; L149-W155 HydrophobicContact CG-CH2 4.42Å; L149-W155 HydrophobicContact CG-CZ2 4.31Å; P152-W155 HydrophobicContact CB-CD2 4.06Å; P152-W155 HydrophobicContact CB-CE3 4.09Å; P152-W155 HydrophobicContact CB-CH2 3.95Å; P152-W155 HydrophobicContact CB-CZ2 3.93Å; P152-W155 HydrophobicContact CB-CZ3 4.04Å; P152-W155 WeakPolarHBondContact O-CB 3.35Å; P152-W155 PolarHBondContact O-N 3.12Å; W155-L473 HydrophobicContact CH2-CD2 4.5Å
156Y95.9Very high95.2Very high29 Ų2958.7 Ų58.711%0.11428%0.275CS..  trans-113.375.7-169.9-52.4-74.9000111.3P152 H154 E158 A159 R160 R270 L273 G274P152-Y156 WeakPolarHBondContact O-CE2 3.47Å; H154-Y156 PolarHBondContact O-N 2.76Å; Y156-E158 VanDerWaalsContact C-N 3.28Å; Y156-E158 PolarHBondContact O-N 2.9Å; Y156-A159 PolarHBondContact O-N 2.97Å; Y156-R160 WeakPolarHBondContact O-CG 3.32Å; Y156-R160 PolarHBondContact O-N 3.3Å; Y156-R270 HydrophobicContact CE1-CG 4.16Å; Y156-R270 WeakPolarHBondContact OH-CA 3.44Å; Y156-L273 HydrophobicContact CD2-CB 3.82Å; Y156-L273 HydrophobicContact CE2-CB 3.63Å; Y156-G274 VanDerWaalsContact CD1-CA 3.4Å
157H95Very high95.4Very high141 Ų14157.4 Ų57.465%0.65327%0.268SS*.Hα-helixtrans-58.2-38.5-175.2-64.5-62.3000113.1R160 S161H157-R160 CarbonylContact O-C 3.38Å; H157-R160 PolarHBondContact O-N 3.14Å; H157-S161 PolarHBondContact O-N 2.94Å
158E96.7Very high95.7Very high92 Ų9257.4 Ų57.443%0.4327%0.268SS..Hα-helixtrans-63.1-48.7177.9-63.680.717800110.9Y156 R160 S161 H276Y156-E158 VanDerWaalsContact C-N 3.28Å; Y156-E158 PolarHBondContact O-N 2.9Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 3.44Å; E158-S161 WeakPolarHBondContact O-CB 3.49Å; E158-S161 PolarHBondContact O-N 3.04Å; E158-S161 PolarHBondContact O-OG 3.21Å; E158-H276 HydrophobicContact CB-CB 4.21Å; E158-H276 PolarHBondContact O-CD2 3.46Å; E158-H276 PolarHBondContact O-NE2 2.97Å
159A97.3Very high95.9Very high0 Ų054.9 Ų54.90%025%0.254CS..Hα-helixtrans-62.2-35.7176.100000112.2Y156 S161 L162Y156-A159 PolarHBondContact O-N 2.97Å; A159-S161 VanDerWaalsContact C-N 3.26Å; A159-S161 PolarHBondContact O-N 2.98Å; A159-L162 PolarHBondContact O-N 3.03Å
160R96.3Very high96Very high62 Ų6254.9 Ų54.923%0.23425%0.254CS..Hα-helixtrans-73-13.7175.5-63.1-5487.2-126.8-2.8113.9Y156 H157 E158 L162 E301Y156-R160 WeakPolarHBondContact O-CG 3.32Å; Y156-R160 PolarHBondContact O-N 3.3Å; H157-R160 CarbonylContact O-C 3.38Å; H157-R160 PolarHBondContact O-N 3.14Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 3.44Å; R160-L162 PolarHBondContact O-N 3.49Å; R160-E301 IonicContact CZ-OE1 3.81Å; R160-E301 VanDerWaalsContact CZ-OE1 3.22Å; R160-E301 IonicContact CZ-OE2 3.62Å; R160-E301 VanDerWaalsContact NH1-CD 3.27Å; R160-E301 IonicContact NH1-OE1 3.25Å; R160-E301 PolarHBondContact NH1-OE1 3.21Å; R160-E301 IonicContact NH1-OE2 3.79Å; R160-E301 VanDerWaalsContact NH2-CD 3.33Å; R160-E301 IonicContact NH2-OE1 3.05Å; R160-E301 PolarHBondContact NH2-OE1 3.06Å; R160-E301 IonicContact NH2-OE2 2.56Å; R160-E301 PolarHBondContact NH2-OE2 2.93Å
161S95.7Very high95.9Very high84 Ų8448.5 Ų48.559%0.58723%0.231SC*.THydrogen-bonded Turntrans-76.3-11.3175.578.90000113.3H157 E158 A159H157-S161 PolarHBondContact O-N 2.94Å; E158-S161 WeakPolarHBondContact O-CB 3.49Å; E158-S161 PolarHBondContact O-N 3.04Å; E158-S161 PolarHBondContact O-OG 3.21Å; A159-S161 VanDerWaalsContact C-N 3.26Å; A159-S161 PolarHBondContact O-N 2.98Å
162L95.4Very high95.8Very high40 Ų4046.8 Ų46.821%0.20923%0.225CC..SBendtrans-111.5150.6178.5-55.8-179000111.1A159 R160 R164 H276A159-L162 PolarHBondContact O-N 3.03Å; R160-L162 PolarHBondContact O-N 3.49Å; L162-R164 HydrophobicContact CB-CG 3.95Å; L162-R164 PolarHBondContact O-N 2.81Å; L162-H276 WeakPolarHBondContact CD1-CD2 3.46Å
163Q94.2Very high95.3Very high181 Ų18147.4 Ų47.485%0.84623%0.229SC*.  trans-8986.9160.3-171.7178.3-2.900108.7
164R97.8Very high94.9Very high6 Ų648.7 Ų48.72%0.02324%0.236CC..PPolyproline II helixtrans-72.6136.7-174.8-50.3-175.3-61.6172.41.4110.9L162 F166 L272 L273 V275 A277 D278 E301L162-R164 HydrophobicContact CB-CG 3.95Å; L162-R164 PolarHBondContact O-N 2.81Å; R164-F166 HydrophobicContact CB-CD2 4.41Å; R164-F166 HydrophobicContact CB-CE2 3.86Å; R164-F166 VanDerWaalsContact NH2-CZ 3.35Å; R164-L272 PolarHBondContact NH1-O 2.85Å; R164-L272 VanDerWaalsContact NH1-O 3.13Å; R164-L272 PolarHBondContact NH2-O 3.17Å; R164-L273 PolarHBondContact NH1-O 3.17Å; R164-L273 PolarHBondContact NH2-O 3.2Å; R164-V275 WeakPolarHBondContact CD-O 3.41Å; R164-V275 PolarHBondContact NH1-O 3.05Å; R164-A277 WeakPolarHBondContact CD-O 3.47Å; R164-A277 WeakPolarHBondContact CG-O 3.32Å; R164-D278 WeakPolarHBondContact CA-O 3.46Å; R164-E301 WeakPolarHBondContact CB-OE1 3.22Å; R164-E301 WeakPolarHBondContact CG-OE1 3.24Å; R164-E301 IonicContact CZ-OE1 3.65Å; R164-E301 IonicContact CZ-OE2 2.85Å; R164-E301 IonicContact NE-OE1 3.66Å; R164-E301 PolarHBondContact NE-OE1 3.11Å; R164-E301 IonicContact NE-OE2 2.72Å; R164-E301 PolarHBondContact NE-OE2 3.17Å; R164-E301 IonicContact NH2-OE1 2.7Å; R164-E301 IonicContact NH2-OE2 3.86Å; R164-E301 PolarHBondContact NH2-OE2 3.21Å
165K98.1Very high94.7Very high105 Ų10544.5 Ų44.546%0.45722%0.217SC..EExtended strand (participates in β ladder)trans-95.1121.5176.2177.6-178.7165.4-153.10110.6D278 E279 V280K165-D278 PolarHBondContact N-O 2.98Å; K165-E279 HydrophobicContact CD-CG 4.39Å; K165-E279 WeakPolarHBondContact CD-OE2 3.23Å; K165-E279 WeakPolarHBondContact CE-OE2 3.48Å; K165-E279 IonicContact NZ-OE1 2.66Å; K165-E279 IonicContact NZ-OE2 2.78Å; K165-E279 PolarHBondContact NZ-OE2 2.99Å; K165-E279 CarbonylContact O-C 3.58Å; K165-E279 WeakPolarHBondContact O-CA 3.37Å; K165-V280 PolarHBondContact O-N 3.35Å
166F98.6Very high94.4Very high1 Ų142.1 Ų42.10%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-100.4132.8179-79.7-93000113R164 L272 V280 L282 L296 E301 V303 N304R164-F166 HydrophobicContact CB-CD2 4.41Å; R164-F166 HydrophobicContact CB-CE2 3.86Å; R164-F166 VanDerWaalsContact NH2-CZ 3.35Å; F166-L272 HydrophobicContact CE1-CD1 3.84Å; F166-V280 WeakPolarHBondContact CA-O 3.34Å; F166-V280 HydrophobicContact CD1-CB 3.78Å; F166-V280 HydrophobicContact CD1-CG1 3.95Å; F166-V280 HydrophobicContact CE1-CB 3.58Å; F166-V280 HydrophobicContact CE1-CG1 3.5Å; F166-V280 VanDerWaalsContact CE1-CG1 3.5Å; F166-V280 HydrophobicContact CE1-CG2 4.08Å; F166-V280 HydrophobicContact CE2-CG2 4.42Å; F166-V280 HydrophobicContact CG-CB 4.37Å; F166-V280 HydrophobicContact CZ-CB 3.98Å; F166-V280 HydrophobicContact CZ-CG1 4.19Å; F166-V280 HydrophobicContact CZ-CG2 3.96Å; F166-L282 HydrophobicContact CD1-CD1 3.88Å; F166-L282 HydrophobicContact CD1-CD2 4.49Å; F166-L282 HydrophobicContact CD1-CG 4.15Å; F166-L282 HydrophobicContact CE1-CD1 4.33Å; F166-L282 HydrophobicContact CE1-CD2 4.41Å; F166-L296 HydrophobicContact CB-CD1 4.49Å; F166-L296 HydrophobicContact CD1-CD1 3.69Å; F166-L296 HydrophobicContact CD2-CD1 3.91Å; F166-L296 HydrophobicContact CE1-CD1 3.79Å; F166-L296 HydrophobicContact CE2-CD1 4.02Å; F166-L296 HydrophobicContact CE2-CD2 4.32Å; F166-L296 HydrophobicContact CG-CD1 3.75Å; F166-L296 HydrophobicContact CZ-CD1 3.95Å; F166-L296 HydrophobicContact CZ-CD2 4.12Å; F166-E301 HydrophobicContact CD2-CB 4.12Å; F166-E301 HydrophobicContact CE2-CB 4.16Å; F166-E301 HydrophobicContact CE2-CG 4.37Å; F166-E301 WeakPolarHBondContact CE2-OE2 3.33Å; F166-V303 HydrophobicContact CB-CB 4.35Å; F166-V303 HydrophobicContact CB-CG1 4.36Å; F166-V303 HydrophobicContact CB-CG2 4.07Å; F166-N304 WeakPolarHBondContact O-CB 3.23Å; F166-N304 PolarHBondContact O-N 3.23Å
167I98.6Very high94.3Very high1 Ų141.5 Ų41.51%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-125.6114.4170.9-55.6174.5000108.9H169 E279 V280 H281 L282 N304 R306I167-H169 WeakPolarHBondContact CG2-NE2 3.3Å; I167-E279 HydrophobicContact CD1-CG 4.28Å; I167-E279 WeakPolarHBondContact CD1-OE1 3.49Å; I167-V280 PolarHBondContact N-O 2.9Å; I167-H281 CarbonylContact O-C 3.52Å; I167-H281 WeakPolarHBondContact O-CA 3.43Å; I167-L282 PolarHBondContact O-N 2.89Å; I167-N304 CarbonylContact C-O 3.54Å; I167-N304 WeakPolarHBondContact CA-O 3.26Å; I167-R306 HydrophobicContact CG2-CG 4.36Å
168F98.7Very high94.2Very high0 Ų036.3 Ų36.30%019%0.193CC..EExtended strand (participates in β ladder)trans-94.3116.9176.2-161.8-56.6000109.8A170 V256 L282 A288 V289 V292 V303 N304 V305 R306F168-A170 HydrophobicContact CD1-CB 3.64Å; F168-A170 HydrophobicContact CE1-CB 3.67Å; F168-A170 PolarHBondContact O-N 2.79Å; F168-V256 HydrophobicContact CE1-CG1 4.29Å; F168-V256 HydrophobicContact CE2-CG1 3.64Å; F168-V256 HydrophobicContact CZ-CG1 3.42Å; F168-V256 VanDerWaalsContact CZ-CG1 3.42Å; F168-L282 CarbonylContact C-O 3.47Å; F168-L282 HydrophobicContact CD2-CB 4.04Å; F168-L282 HydrophobicContact CD2-CD1 3.94Å; F168-L282 HydrophobicContact CE2-CB 4.46Å; F168-L282 HydrophobicContact CG-CB 4.22Å; F168-A288 HydrophobicContact CE2-CB 4.33Å; F168-A288 HydrophobicContact CZ-CB 4.07Å; F168-V289 HydrophobicContact CD1-CG2 3.89Å; F168-V289 HydrophobicContact CD2-CG2 4.19Å; F168-V289 HydrophobicContact CE1-CG2 3.73Å; F168-V289 HydrophobicContact CE2-CG2 4Å; F168-V289 HydrophobicContact CG-CG2 4.15Å; F168-V289 HydrophobicContact CZ-CG2 3.78Å; F168-V292 HydrophobicContact CD2-CB 4.31Å; F168-V292 HydrophobicContact CD2-CG1 4.12Å; F168-V292 HydrophobicContact CD2-CG2 4.47Å; F168-V292 HydrophobicContact CE2-CB 4.18Å; F168-V292 HydrophobicContact CE2-CG1 4.42Å; F168-V292 HydrophobicContact CE2-CG2 3.96Å; F168-V303 HydrophobicContact CB-CG1 3.67Å; F168-V303 HydrophobicContact CD2-CG1 4.46Å; F168-N304 PolarHBondContact N-O 3.26Å; F168-V305 HydrophobicContact CB-CG2 4.3Å; F168-R306 PolarHBondContact O-N 3.39Å
169H98.5Very high93.9Very high0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-92.590.8171.3-59.1-105.9000110I167 K177 H281 L282 G284 Y308I167-H169 WeakPolarHBondContact CG2-NE2 3.3Å; H169-K177 HydrophobicContact CB-CB 4.01Å; H169-H281 AromaticContact CD2-ND1 3.84Å; H169-H281 AromaticContact CE1-ND1 3.9Å; H169-H281 AromaticContact NE2-CE1 3.92Å; H169-H281 AromaticContact NE2-CG 3.84Å; H169-H281 AromaticContact NE2-ND1 2.92Å; H169-H281 PolarHBondContact NE2-ND1 2.91Å; H169-L282 PolarHBondContact N-O 2.93Å; H169-G284 PolarHBondContact O-N 2.89Å; H169-Y308 HydrophobicContact CB-CD2 4.33Å; H169-Y308 HydrophobicContact CB-CE2 3.75Å; H169-Y308 AromaticContact ND1-CE2 3.61Å; H169-Y308 AromaticContact ND1-CZ 3.5Å; H169-Y308 PolarHBondContact ND1-OH 3.41Å
170A97.1Very high93.7Very high0 Ų038.9 Ų38.90%021%0.205CC..EExtended strand (participates in β ladder)trans-94119.6-174.100000110.7F168 G284 P286 V289 V305 R306 M307 Y308F168-A170 HydrophobicContact CD1-CB 3.64Å; F168-A170 HydrophobicContact CE1-CB 3.67Å; F168-A170 PolarHBondContact O-N 2.79Å; A170-G284 WeakPolarHBondContact CA-O 3.43Å; A170-P286 HydrophobicContact CB-CB 4.47Å; A170-P286 HydrophobicContact CB-CG 4.28Å; A170-V289 HydrophobicContact CB-CG2 3.94Å; A170-V305 HydrophobicContact CB-CG1 4.26Å; A170-R306 PolarHBondContact N-O 3.22Å; A170-M307 HydrophobicContact CB-SD 3.57Å; A170-M307 VanDerWaalsContact CB-SD 3.57Å; A170-M307 CarbonylContact O-C 3.59Å; A170-M307 WeakPolarHBondContact O-CA 3.48Å; A170-Y308 PolarHBondContact O-N 3.2Å
171G93.2Very high93.7Very high1 Ų135.9 Ų35.91%0.0119%0.194CC..  trans-179.6165.6176.300000114.7K177 G284 Y308G171-K177 WeakPolarHBondContact O-CD 3.34Å; G171-K177 WeakPolarHBondContact O-CE 3.48Å; G171-K177 PolarHBondContact O-NZ 3Å; G171-K177 VanDerWaalsContact O-NZ 3.11Å; G171-G284 PolarHBondContact N-O 2.98Å; G171-Y308 WeakPolarHBondContact CA-O 3.5Å
172P90Very high93.8Very high57 Ų5732.1 Ų32.137%0.3717%0.167SC..  trans-68.1-179.8-179.231-35.2000111.7S175 K177 Y308 R310P172-S175 WeakPolarHBondContact O-CB 3.49Å; P172-S175 PolarHBondContact O-OG 3.34Å; P172-K177 PolarHBondContact O-NZ 3.22Å; P172-K177 VanDerWaalsContact O-NZ 3.11Å; P172-Y308 WeakPolarHBondContact CD-O 3.47Å; P172-R310 HydrophobicContact CG-CB 4.08Å
173T85.8Confident93.9Very high13 Ų1335.6 Ų35.68%0.0818%0.18CC..THydrogen-bonded Turntrans-61.9153.2165.850.30000110.5S175 G432T173-S175 VanDerWaalsContact C-N 3.3Å; T173-S175 PolarHBondContact O-N 2.85Å; T173-G432 VanDerWaalsContact OG1-CA 3.27Å; T173-G432 WeakPolarHBondContact OG1-CA 3.42Å; T173-G432 PolarHBondContact OG1-O 2.89Å
174N84.3Confident94Very high38 Ų3828.4 Ų28.420%0.20315%0.15CC..THydrogen-bonded Turntrans55.935.7-177-162.639000115.4R310 M311 T312 G435N174-R310 HydrophobicContact CB-CG 4.23Å; N174-M311 PolarHBondContact O-N 3.48Å; N174-T312 PolarHBondContact ND2-OG1 2.78Å; N174-G435 PolarHBondContact ND2-O 2.92Å
175S88.2Confident94Very high7 Ų728.1 Ų28.15%0.04915%0.149CC..SBendtrans-105.5-3.8178.4590000114.5P172 T173 K177 E309P172-S175 WeakPolarHBondContact O-CB 3.49Å; P172-S175 PolarHBondContact O-OG 3.34Å; T173-S175 VanDerWaalsContact C-N 3.3Å; T173-S175 PolarHBondContact O-N 2.85Å; S175-K177 PolarHBondContact O-N 2.93Å; S175-E309 VanDerWaalsContact CA-O 3.32Å; S175-E309 WeakPolarHBondContact CA-O 3.49Å; S175-E309 WeakPolarHBondContact CB-O 3.49Å
176G87.6Confident94Very high27 Ų2725.2 Ų25.228%0.27814%0.137SC..SBendtrans73.84.6-176.900000115T178 H179 Q180G176-T178 PolarHBondContact O-N 3.41Å; G176-H179 VanDerWaalsContact O-CB 3.25Å; G176-H179 WeakPolarHBondContact O-CB 3.44Å; G176-H179 PolarHBondContact O-N 2.99Å; G176-Q180 PolarHBondContact O-N 2.76Å
177K93.4Very high93.9Very high15 Ų1529.8 Ų29.87%0.06517%0.169CC..Hα-helixtrans-50.8-51.3-177.365.7175.7-173.4-81.20113.9H169 G171 P172 S175 H179 Q180 A181 Y308H169-K177 HydrophobicContact CB-CB 4.01Å; G171-K177 WeakPolarHBondContact O-CD 3.34Å; G171-K177 WeakPolarHBondContact O-CE 3.48Å; G171-K177 PolarHBondContact O-NZ 3Å; G171-K177 VanDerWaalsContact O-NZ 3.11Å; P172-K177 PolarHBondContact O-NZ 3.22Å; P172-K177 VanDerWaalsContact O-NZ 3.11Å; S175-K177 PolarHBondContact O-N 2.93Å; K177-H179 VanDerWaalsContact C-N 3.29Å; K177-H179 PolarHBondContact O-N 3.18Å; K177-Q180 PolarHBondContact O-N 3.4Å; K177-A181 PolarHBondContact O-N 2.88Å; K177-Y308 HydrophobicContact CB-CD2 4.19Å; K177-Y308 HydrophobicContact CB-CG 4.23Å
178T92.3Very high93.9Very high33 Ų3330.7 Ų30.720%0.20218%0.177CC..Hα-helixtrans-67.2-32.5-179.1-44.50000111.3G176 Q180 A181 L182 Y193 D254G176-T178 PolarHBondContact O-N 3.41Å; T178-Q180 VanDerWaalsContact C-N 3.3Å; T178-Q180 PolarHBondContact O-N 3.31Å; T178-A181 PolarHBondContact O-N 3.34Å; T178-L182 HydrophobicContact CG2-CD1 4Å; T178-L182 HydrophobicContact CG2-CG 4.2Å; T178-L182 WeakPolarHBondContact O-CB 3.46Å; T178-L182 WeakPolarHBondContact O-CG 3.45Å; T178-L182 PolarHBondContact O-N 2.98Å; T178-Y193 HydrophobicContact CG2-CE2 4.41Å; T178-D254 WeakPolarHBondContact CG2-OD2 3.36Å
179H91.8Very high93.8Very high81 Ų8138 Ų3838%0.37521%0.208SC..Hα-helixtrans-61.3-39178.1-172.6-84.1000112.2G176 K177 L182 K183 R207G176-H179 VanDerWaalsContact O-CB 3.25Å; G176-H179 WeakPolarHBondContact O-CB 3.44Å; G176-H179 PolarHBondContact O-N 2.99Å; K177-H179 VanDerWaalsContact C-N 3.29Å; K177-H179 PolarHBondContact O-N 3.18Å; H179-L182 PolarHBondContact O-N 3.43Å; H179-K183 WeakPolarHBondContact CE1-CE 3.31Å; H179-K183 PolarHBondContact O-N 3.49Å; H179-K183 VanDerWaalsContact O-N 3.17Å; H179-R207 PolarHBondContact CD2-NH2 2.9Å; H179-R207 PolarHBondContact NE2-NH2 3.49Å
180Q92.7Very high93.8Very high64 Ų6439.3 Ų39.330%0.29922%0.216SC..Hα-helixtrans-70.4-40.3178.8-173.260.224.100112.1G176 K177 T178 L182 K183G176-Q180 PolarHBondContact O-N 2.76Å; K177-Q180 PolarHBondContact O-N 3.4Å; T178-Q180 VanDerWaalsContact C-N 3.3Å; T178-Q180 PolarHBondContact O-N 3.31Å; Q180-L182 VanDerWaalsContact C-N 3.35Å; Q180-K183 PolarHBondContact O-N 2.82Å
181A96.8Very high93.8Very high0 Ų039.3 Ų39.30%022%0.216CC..Hα-helixtrans-63.1-41.7173.600000111.6K177 T178 K183 C184 F185 V252 H281 C283K177-A181 PolarHBondContact O-N 2.88Å; T178-A181 PolarHBondContact O-N 3.34Å; A181-K183 VanDerWaalsContact C-N 3.31Å; A181-K183 PolarHBondContact O-N 3.11Å; A181-C184 WeakPolarHBondContact O-CB 3.36Å; A181-C184 PolarHBondContact O-N 3.05Å; A181-F185 PolarHBondContact O-N 3.14Å; A181-V252 HydrophobicContact CB-CG1 3.98Å; A181-V252 HydrophobicContact CB-CG2 4.18Å; A181-H281 HydrophobicContact CB-CB 3.76Å; A181-C283 VanDerWaalsContact CB-SG 3.58Å
182L97.1Very high94.1Very high4 Ų439.3 Ų39.32%0.02122%0.216CC..Hα-helixtrans-64.9-30.8178.9-71.5171.4000113.5T178 H179 Q180 F185 M186 Y193 I204T178-L182 HydrophobicContact CG2-CD1 4Å; T178-L182 HydrophobicContact CG2-CG 4.2Å; T178-L182 WeakPolarHBondContact O-CB 3.46Å; T178-L182 WeakPolarHBondContact O-CG 3.45Å; T178-L182 PolarHBondContact O-N 2.98Å; H179-L182 PolarHBondContact O-N 3.43Å; Q180-L182 VanDerWaalsContact C-N 3.35Å; L182-F185 HydrophobicContact CD2-CD1 4Å; L182-F185 PolarHBondContact O-N 3.11Å; L182-M186 WeakPolarHBondContact O-CB 3.4Å; L182-M186 WeakPolarHBondContact O-CG 3.28Å; L182-M186 PolarHBondContact O-N 3.32Å; L182-Y193 HydrophobicContact CD2-CD2 3.92Å; L182-Y193 HydrophobicContact CD2-CE2 4.35Å; L182-I204 HydrophobicContact CD1-CD1 3.48Å; L182-I204 VanDerWaalsContact CD1-CD1 3.48Å; L182-I204 HydrophobicContact CD1-CG1 4.48Å; L182-I204 HydrophobicContact CD2-CD1 4.07Å; L182-I204 HydrophobicContact CD2-CG1 4.26Å; L182-I204 HydrophobicContact CD2-CG2 3.77Å; L182-I204 HydrophobicContact CG-CD1 4.42Å
183K96.5Very high94.5Very high113 Ų11336.6 Ų36.649%0.49120%0.199SC..Hα-helixtrans-62.4-44.3172.6-76.4-175.7-180179.10111.9H179 Q180 A181 S187H179-K183 WeakPolarHBondContact CE1-CE 3.31Å; H179-K183 PolarHBondContact O-N 3.49Å; H179-K183 VanDerWaalsContact O-N 3.17Å; Q180-K183 PolarHBondContact O-N 2.82Å; A181-K183 VanDerWaalsContact C-N 3.31Å; A181-K183 PolarHBondContact O-N 3.11Å; K183-S187 WeakPolarHBondContact O-CB 3.46Å; K183-S187 PolarHBondContact O-N 3.4Å; K183-S187 PolarHBondContact O-OG 3.01Å
184C96.9Very high95.1Very high31 Ų3136 Ų3621%0.20920%0.195CC..Hα-helixtrans-64.7-46.6176.3-67.30000110.5A181 M186 S187 A188 H281A181-C184 WeakPolarHBondContact O-CB 3.36Å; A181-C184 PolarHBondContact O-N 3.05Å; C184-M186 PolarHBondContact O-N 3.09Å; C184-S187 PolarHBondContact O-N 2.82Å; C184-S187 PolarHBondContact O-OG 3.45Å; C184-S187 VanDerWaalsContact O-OG 3.09Å; C184-A188 PolarHBondContact O-N 3.05Å; C184-H281 WeakPolarHBondContact CB-NE2 3.43Å
185F98.3Very high95.7Very high0 Ų034.2 Ų34.20%019%0.185CC..Hα-helixtrans-54.2-54.5174.5169.1-107.6000112.5A181 L182 S187 A188 G191 I204 C208 H234 V250 V252A181-F185 PolarHBondContact O-N 3.14Å; L182-F185 HydrophobicContact CD2-CD1 4Å; L182-F185 PolarHBondContact O-N 3.11Å; F185-S187 PolarHBondContact O-N 3.25Å; F185-A188 WeakPolarHBondContact O-CB 3.42Å; F185-A188 PolarHBondContact O-N 3.43Å; F185-G191 VanDerWaalsContact CE2-C 3.4Å; F185-I204 HydrophobicContact CE1-CG2 4.12Å; F185-C208 VanDerWaalsContact CE1-SG 3.55Å; F185-H234 HydrophobicContact CE2-CB 4.4Å; F185-H234 AromaticContact CE2-CD2 3.76Å; F185-H234 HydrophobicContact CZ-CB 4Å; F185-H234 AromaticContact CZ-CD2 3.83Å; F185-H234 PolarHBondContact O-CD2 3.26Å; F185-H234 PolarHBondContact O-NE2 3.19Å; F185-V250 HydrophobicContact CB-CG1 4.16Å; F185-V252 HydrophobicContact CB-CG2 3.74Å; F185-V252 HydrophobicContact CD2-CG2 4.41Å; F185-V252 HydrophobicContact CG-CG2 4.26Å
186M97.5Very high96Very high43 Ų4333.9 Ų33.921%0.21218%0.183CC..Hα-helixtrans-68.8-17.9-176.8-68.4172.370.300114.5L182 C184 A211 V213L182-M186 WeakPolarHBondContact O-CB 3.4Å; L182-M186 WeakPolarHBondContact O-CG 3.28Å; L182-M186 PolarHBondContact O-N 3.32Å; C184-M186 PolarHBondContact O-N 3.09Å; M186-A211 HydrophobicContact CE-CB 3.25Å; M186-V213 HydrophobicContact CB-CG2 4.28Å; M186-V213 HydrophobicContact CE-CG2 4.26Å
187S97Very high96.3Very high98 Ų9835 Ų3569%0.68518%0.182SC*.Hα-helixtrans-95.9-6.6177.555.30000113.2K183 C184 F185K183-S187 WeakPolarHBondContact O-CB 3.46Å; K183-S187 PolarHBondContact O-N 3.4Å; K183-S187 PolarHBondContact O-OG 3.01Å; C184-S187 PolarHBondContact O-N 2.82Å; C184-S187 PolarHBondContact O-OG 3.45Å; C184-S187 VanDerWaalsContact O-OG 3.09Å; F185-S187 PolarHBondContact O-N 3.25Å
188A97.7Very high96.2Very high19 Ų1936.1 Ų36.116%0.15719%0.187CC..SBendtrans-73.4159.9177.400000111.4C184 F185 H234 H249 V250C184-A188 PolarHBondContact O-N 3.05Å; F185-A188 WeakPolarHBondContact O-CB 3.42Å; F185-A188 PolarHBondContact O-N 3.43Å; A188-H234 PolarHBondContact O-CE1 3.34Å; A188-H234 PolarHBondContact O-NE2 2.98Å; A188-H249 HydrophobicContact CB-CB 4.24Å; A188-V250 HydrophobicContact CB-CB 3.78Å; A188-V250 HydrophobicContact CB-CG2 3.54Å
189K96.9Very high96.2Very high154 Ų15435.5 Ų35.567%0.6718%0.182SC*.SBendtrans-70.4-45.5173.7-178.9-179.1174.1-1720111.2D233K189-D233 WeakPolarHBondContact O-CB 3.48Å
190T98.1Very high96.2Very high27 Ų2732.6 Ų32.617%0.16617%0.17CC..SBendtrans-133.9148170.662.10000109.6D233 H249 V250T190-D233 WeakPolarHBondContact CA-O 3.31Å; T190-D233 WeakPolarHBondContact CB-O 3.47Å; T190-D233 HydrophobicContact CG2-CB 4.31Å; T190-H249 PolarHBondContact N-ND1 2.71Å; T190-H249 WeakPolarHBondContact O-CB 3.49Å; T190-H249 PolarHBondContact O-N 3.42Å; T190-H249 PolarHBondContact OG1-N 3.37Å; T190-H249 PolarHBondContact OG1-ND1 2.85Å; T190-V250 PolarHBondContact O-N 2.94Å
191G98.2Very high96.3Very high0 Ų029.6 Ų29.60%016%0.156CC..EExtended strand (participates in β ladder)trans-157.2158.9177.700000115.2F185 D233 H234 I235 V250F185-G191 VanDerWaalsContact CE2-C 3.4Å; G191-D233 PolarHBondContact N-O 2.86Å; G191-H234 CarbonylContact O-C 3.6Å; G191-H234 VanDerWaalsContact O-CA 3.28Å; G191-H234 WeakPolarHBondContact O-CA 3.18Å; G191-I235 PolarHBondContact O-N 3.37Å; G191-V250 CarbonylContact C-O 3.57Å; G191-V250 WeakPolarHBondContact CA-O 3.45Å
192V98.7Very high96.2Very high1 Ų130.8 Ų30.81%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-126.9127.8172.566.30000111.7I235 L242 Y248 V250 A251 V252 V275V192-I235 CarbonylContact C-O 3.54Å; V192-I235 VanDerWaalsContact CA-O 3.32Å; V192-I235 WeakPolarHBondContact CA-O 3.31Å; V192-I235 HydrophobicContact CG2-CB 4.23Å; V192-I235 HydrophobicContact CG2-CG2 4.35Å; V192-L242 HydrophobicContact CB-CD1 4.49Å; V192-L242 HydrophobicContact CG1-CD1 3.96Å; V192-L242 HydrophobicContact CG2-CD1 3.86Å; V192-Y248 HydrophobicContact CB-CD1 3.92Å; V192-Y248 HydrophobicContact CB-CD2 4.21Å; V192-Y248 HydrophobicContact CB-CE1 3.83Å; V192-Y248 HydrophobicContact CB-CE2 4.13Å; V192-Y248 HydrophobicContact CB-CG 4.1Å; V192-Y248 HydrophobicContact CG1-CD1 4.22Å; V192-Y248 HydrophobicContact CG1-CD2 3.73Å; V192-Y248 HydrophobicContact CG1-CE1 4.41Å; V192-Y248 HydrophobicContact CG1-CE2 3.93Å; V192-Y248 HydrophobicContact CG1-CG 3.87Å; V192-V250 PolarHBondContact N-O 3.26Å; V192-A251 HydrophobicContact CG1-CB 3.73Å; V192-A251 CarbonylContact O-C 3.43Å; V192-A251 VanDerWaalsContact O-CA 3.3Å; V192-A251 WeakPolarHBondContact O-CA 3.41Å; V192-V252 PolarHBondContact O-N 2.79Å; V192-V275 HydrophobicContact CG1-CG2 4.12Å
193Y98.8Very high96Very high1 Ų134.2 Ų34.20%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-102.1126.6168.3171-92.2000109.7T178 L182 I204 I235 S236 C237 V252 D254T178-Y193 HydrophobicContact CG2-CE2 4.41Å; L182-Y193 HydrophobicContact CD2-CD2 3.92Å; L182-Y193 HydrophobicContact CD2-CE2 4.35Å; Y193-I204 HydrophobicContact CD1-CB 3.97Å; Y193-I204 HydrophobicContact CD1-CG1 3.91Å; Y193-I204 HydrophobicContact CD1-CG2 4.06Å; Y193-I204 HydrophobicContact CD2-CG1 4.28Å; Y193-I204 HydrophobicContact CD2-CG2 4.39Å; Y193-I204 HydrophobicContact CE1-CB 4.12Å; Y193-I204 HydrophobicContact CE1-CG1 3.6Å; Y193-I204 HydrophobicContact CE2-CG1 4.02Å; Y193-I204 HydrophobicContact CG-CB 4.34Å; Y193-I204 HydrophobicContact CG-CG1 4.24Å; Y193-I204 HydrophobicContact CG-CG2 3.95Å; Y193-I235 PolarHBondContact N-O 3.43Å; Y193-S236 WeakPolarHBondContact CD1-OG 3.4Å; Y193-C237 PolarHBondContact O-N 3.28Å; Y193-C237 PolarHBondContact O-SG 3.14Å; Y193-V252 HydrophobicContact CD2-CB 3.88Å; Y193-V252 HydrophobicContact CD2-CG1 3.74Å; Y193-V252 HydrophobicContact CE2-CG1 4.07Å; Y193-D254 HydrophobicContact CE2-CB 3.86Å; Y193-D254 PolarHBondContact OH-OD2 3.5Å
194C98.6Very high95.9Very high0 Ų029.1 Ų29.10%016%0.157CC..EExtended strand (participates in β ladder)trans-111.7100.8179.2-62.10000109.7C237 V239 V252 I253 D254C194-C237 WeakPolarHBondContact CA-O 3.48Å; C194-V239 HydrophobicContact CB-CB 4.23Å; C194-V239 HydrophobicContact CB-CG2 4.22Å; C194-V252 PolarHBondContact N-O 3.02Å; C194-I253 HydrophobicContact CB-CG1 4.46Å; C194-D254 PolarHBondContact O-N 2.84Å
195G96.9Very high95.9Very high0 Ų029.1 Ų29.10%015%0.153CC..EExtended strand (participates in β ladder)trans-92.1154.9179.500000113.7L197 C237 T238 V239G195-L197 VanDerWaalsContact C-N 3.29Å; G195-L197 PolarHBondContact O-N 3.03Å; G195-C237 PolarHBondContact N-O 2.9Å; G195-T238 CarbonylContact O-C 3.49Å; G195-T238 WeakPolarHBondContact O-CA 3.39Å; G195-V239 PolarHBondContact O-N 2.85Å
196P95.4Very high95.7Very high0 Ų033.7 Ų33.70%017%0.174CC..SBendtrans-73.7-19.9177.535.5-43.1000113.2L200 E255 R264 W268P196-L200 HydrophobicContact CG-CD1 3.45Å; P196-L200 VanDerWaalsContact CG-CD1 3.45Å; P196-E255 HydrophobicContact CB-CB 4.18Å; P196-E255 HydrophobicContact CB-CG 4.02Å; P196-E255 HydrophobicContact CG-CB 4.29Å; P196-E255 HydrophobicContact CG-CG 3.63Å; P196-R264 PolarHBondContact O-NH1 3.49Å; P196-R264 VanDerWaalsContact O-NH1 3.11Å; P196-R264 PolarHBondContact O-NH2 3.24Å; P196-W268 HydrophobicContact CB-CH2 4.28Å; P196-W268 HydrophobicContact CB-CZ2 3.69Å
197L92.4Very high95.6Very high51 Ų5135.8 Ų35.827%0.26718%0.18SC..SBendtrans-144.5147.2-170-69.6-178.9000110.3G195 L199 L200 A201 M392G195-L197 VanDerWaalsContact C-N 3.29Å; G195-L197 PolarHBondContact O-N 3.03Å; L197-L199 PolarHBondContact O-N 3.45Å; L197-L200 PolarHBondContact O-N 3.45Å; L197-L200 VanDerWaalsContact O-N 3.1Å; L197-A201 PolarHBondContact O-N 3.48Å; L197-A201 VanDerWaalsContact O-N 3.13Å; L197-M392 HydrophobicContact CD1-CB 4.04Å; L197-M392 HydrophobicContact CD1-CG 3.46Å; L197-M392 VanDerWaalsContact CD1-CG 3.46Å; L197-M392 HydrophobicContact CD1-SD 3.51Å; L197-M392 VanDerWaalsContact CD1-SD 3.51Å; L197-M392 HydrophobicContact CD2-SD 4.18Å; L197-M392 HydrophobicContact CG-CG 4.38Å; L197-M392 HydrophobicContact CG-SD 3.8Å
198K91.5Very high95.5Very high39 Ų3931.2 Ų31.217%0.1715%0.147CC..Hα-helixtrans-49.1-45.6172.4171.9164.7-172.7177.10112.1L200 A201 T202 T219 D221 E222 P364K198-L200 VanDerWaalsContact C-N 3.33Å; K198-L200 PolarHBondContact O-N 3.16Å; K198-A201 PolarHBondContact O-N 3Å; K198-T202 WeakPolarHBondContact O-CB 3.42Å; K198-T202 PolarHBondContact O-N 3.44Å; K198-T202 PolarHBondContact O-OG1 3.41Å; K198-T219 HydrophobicContact CB-CG2 4.4Å; K198-T219 HydrophobicContact CD-CG2 4.48Å; K198-T219 HydrophobicContact CG-CG2 4.08Å; K198-D221 IonicContact NZ-OD1 3.9Å; K198-D221 IonicContact NZ-OD2 2.79Å; K198-D221 PolarHBondContact NZ-OD2 2.85Å; K198-E222 WeakPolarHBondContact CE-OE2 3.32Å; K198-E222 IonicContact NZ-OE2 2.9Å; K198-E222 PolarHBondContact NZ-OE2 2.85Å; K198-P364 HydrophobicContact CD-CG 4.35Å
199L91.9Very high95.4Very high19 Ų1932 Ų3210%0.09915%0.149CC..Hα-helixtrans-57.1-42.2-180-72.8174.2000113.5L197 E203 P364 K367 L368 G393 L394L197-L199 PolarHBondContact O-N 3.45Å; L199-E203 WeakPolarHBondContact O-CB 3.29Å; L199-E203 PolarHBondContact O-N 3.17Å; L199-P364 HydrophobicContact CD2-CB 3.67Å; L199-P364 HydrophobicContact CG-CB 4.21Å; L199-K367 HydrophobicContact CD1-CB 4.39Å; L199-K367 HydrophobicContact CD1-CD 4.07Å; L199-L368 HydrophobicContact CD2-CD1 3.7Å; L199-L368 HydrophobicContact CD2-CD2 4.04Å; L199-L368 HydrophobicContact CD2-CG 3.64Å; L199-G393 WeakPolarHBondContact CB-O 3.42Å; L199-L394 HydrophobicContact CD1-CD2 3.87Å; L199-L394 HydrophobicContact CD1-CG 4.31Å
200L92.9Very high95.3Very high21 Ų2131.3 Ų31.311%0.1115%0.153CC..Hα-helixtrans-71.3-42.6177.6-74.7172.6000111.5P196 L197 K198 T202 E203 I204 G393P196-L200 HydrophobicContact CG-CD1 3.45Å; P196-L200 VanDerWaalsContact CG-CD1 3.45Å; L197-L200 PolarHBondContact O-N 3.45Å; L197-L200 VanDerWaalsContact O-N 3.1Å; K198-L200 VanDerWaalsContact C-N 3.33Å; K198-L200 PolarHBondContact O-N 3.16Å; L200-T202 VanDerWaalsContact C-N 3.29Å; L200-T202 PolarHBondContact O-N 3Å; L200-E203 PolarHBondContact O-N 2.91Å; L200-I204 WeakPolarHBondContact O-CG1 3.39Å; L200-I204 PolarHBondContact O-N 3.2Å; L200-G393 VanDerWaalsContact CG-CA 3.49Å
201A95.1Very high95.1Very high0 Ų032.9 Ų32.90%017%0.168CC..Hα-helixtrans-58.4-44175.800000111.1L197 K198 I204 Y205 L217 S236L197-A201 PolarHBondContact O-N 3.48Å; L197-A201 VanDerWaalsContact O-N 3.13Å; K198-A201 PolarHBondContact O-N 3Å; A201-I204 PolarHBondContact O-N 3.46Å; A201-Y205 WeakPolarHBondContact O-CB 3.27Å; A201-Y205 PolarHBondContact O-N 3.38Å; A201-L217 HydrophobicContact CB-CD1 3.91Å; A201-S236 WeakPolarHBondContact CA-OG 3.5Å; A201-S236 PolarHBondContact O-OG 3.49Å
202T93.7Very high94.9Very high25 Ų2536.2 Ų36.215%0.15320%0.202CC..Hα-helixtrans-65.3-40.6175.8-570000112.4K198 L200 Y205 H206K198-T202 WeakPolarHBondContact O-CB 3.42Å; K198-T202 PolarHBondContact O-N 3.44Å; K198-T202 PolarHBondContact O-OG1 3.41Å; L200-T202 VanDerWaalsContact C-N 3.29Å; L200-T202 PolarHBondContact O-N 3Å; T202-Y205 WeakPolarHBondContact O-CB 3.47Å; T202-Y205 PolarHBondContact O-N 2.96Å; T202-H206 PolarHBondContact O-CD2 2.87Å; T202-H206 PolarHBondContact O-N 2.86Å
203E93Very high94.7Very high77 Ų7737.3 Ų37.336%0.3621%0.209SC..Hα-helixtrans-59.1-48.3175-177.2-175.8158.500111.4L199 L200 H206 R207L199-E203 WeakPolarHBondContact O-CB 3.29Å; L199-E203 PolarHBondContact O-N 3.17Å; L200-E203 PolarHBondContact O-N 2.91Å; E203-H206 PolarHBondContact O-N 3.13Å; E203-R207 VanDerWaalsContact O-CB 3.28Å; E203-R207 WeakPolarHBondContact O-CB 3.32Å; E203-R207 PolarHBondContact O-N 2.93Å
204I95.4Very high94.6Very high6 Ų639.1 Ų39.13%0.03122%0.222CC..Hα-helixtrans-67.2-39.5179.8-60.3-42.9000111.4L182 F185 Y193 L200 A201 R207 C208L182-I204 HydrophobicContact CD1-CD1 3.48Å; L182-I204 VanDerWaalsContact CD1-CD1 3.48Å; L182-I204 HydrophobicContact CD1-CG1 4.48Å; L182-I204 HydrophobicContact CD2-CD1 4.07Å; L182-I204 HydrophobicContact CD2-CG1 4.26Å; L182-I204 HydrophobicContact CD2-CG2 3.77Å; L182-I204 HydrophobicContact CG-CD1 4.42Å; F185-I204 HydrophobicContact CE1-CG2 4.12Å; Y193-I204 HydrophobicContact CD1-CB 3.97Å; Y193-I204 HydrophobicContact CD1-CG1 3.91Å; Y193-I204 HydrophobicContact CD1-CG2 4.06Å; Y193-I204 HydrophobicContact CD2-CG1 4.28Å; Y193-I204 HydrophobicContact CD2-CG2 4.39Å; Y193-I204 HydrophobicContact CE1-CB 4.12Å; Y193-I204 HydrophobicContact CE1-CG1 3.6Å; Y193-I204 HydrophobicContact CE2-CG1 4.02Å; Y193-I204 HydrophobicContact CG-CB 4.34Å; Y193-I204 HydrophobicContact CG-CG1 4.24Å; Y193-I204 HydrophobicContact CG-CG2 3.95Å; L200-I204 WeakPolarHBondContact O-CG1 3.39Å; L200-I204 PolarHBondContact O-N 3.2Å; A201-I204 PolarHBondContact O-N 3.46Å; I204-R207 PolarHBondContact O-N 3.31Å; I204-C208 WeakPolarHBondContact O-CB 3.25Å; I204-C208 PolarHBondContact O-N 3.24Å; I204-C208 PolarHBondContact O-SG 3.36Å
205Y96.1Very high94.6Very high30 Ų3039.1 Ų39.112%0.11822%0.222CC..Hα-helixtrans-53.8-53.8172.6164.1-100.2000111.6A201 T202 R207 C208 N209 C215 L217 C224 Y225A201-Y205 WeakPolarHBondContact O-CB 3.27Å; A201-Y205 PolarHBondContact O-N 3.38Å; T202-Y205 WeakPolarHBondContact O-CB 3.47Å; T202-Y205 PolarHBondContact O-N 2.96Å; Y205-R207 PolarHBondContact O-N 3.4Å; Y205-C208 PolarHBondContact O-N 2.86Å; Y205-N209 VanDerWaalsContact CD2-ND2 3.35Å; Y205-N209 WeakPolarHBondContact CD2-ND2 3.37Å; Y205-N209 WeakPolarHBondContact CE2-ND2 3.35Å; Y205-N209 PolarHBondContact O-N 2.84Å; Y205-N209 PolarHBondContact O-ND2 3.16Å; Y205-C215 WeakPolarHBondContact CD2-O 3.19Å; Y205-C215 WeakPolarHBondContact CE2-O 3.32Å; Y205-L217 HydrophobicContact CD1-CB 4.38Å; Y205-L217 HydrophobicContact CD2-CB 3.6Å; Y205-L217 HydrophobicContact CE2-CB 4Å; Y205-L217 HydrophobicContact CG-CB 3.8Å; Y205-C224 HydrophobicContact CE2-CB 4.31Å; Y205-Y225 PolarHBondContact OH-O 2.59Å
206H94.4Very high94.6Very high96 Ų9639.6 Ų39.644%0.44422%0.224SC..Hα-helixtrans-65-41.3178.9-73.1-57.4000112.1T202 E203 C208 N209 N210T202-H206 PolarHBondContact O-CD2 2.87Å; T202-H206 PolarHBondContact O-N 2.86Å; E203-H206 PolarHBondContact O-N 3.13Å; H206-C208 VanDerWaalsContact C-N 3.3Å; H206-C208 PolarHBondContact O-N 3.29Å; H206-N209 PolarHBondContact O-N 3.44Å; H206-N210 WeakPolarHBondContact O-CB 3.36Å; H206-N210 PolarHBondContact O-N 3.43Å; H206-N210 PolarHBondContact O-ND2 3.14Å
207R94.5Very high94.7Very high88 Ų8839.7 Ų39.733%0.33223%0.225SC..Hα-helixtrans-59.1-41.1178.7-179.1176.4176.4166.73112.4H179 E203 I204 Y205 A211H179-R207 PolarHBondContact CD2-NH2 2.9Å; H179-R207 PolarHBondContact NE2-NH2 3.49Å; E203-R207 VanDerWaalsContact O-CB 3.28Å; E203-R207 WeakPolarHBondContact O-CB 3.32Å; E203-R207 PolarHBondContact O-N 2.93Å; I204-R207 PolarHBondContact O-N 3.31Å; Y205-R207 PolarHBondContact O-N 3.4Å; R207-A211 WeakPolarHBondContact O-CB 3.42Å; R207-A211 PolarHBondContact O-N 2.9Å
208C95.8Very high94.9Very high1 Ų139.2 Ų39.21%0.00722%0.222CC..Hα-helixtrans-69.7-49.6179.8-65.90000111.7F185 I204 Y205 H206 N210 A211 G212 V213 C215F185-C208 VanDerWaalsContact CE1-SG 3.55Å; I204-C208 WeakPolarHBondContact O-CB 3.25Å; I204-C208 PolarHBondContact O-N 3.24Å; I204-C208 PolarHBondContact O-SG 3.36Å; Y205-C208 PolarHBondContact O-N 2.86Å; H206-C208 VanDerWaalsContact C-N 3.3Å; H206-C208 PolarHBondContact O-N 3.29Å; C208-N210 VanDerWaalsContact C-N 3.32Å; C208-N210 PolarHBondContact O-N 3.34Å; C208-A211 CarbonylContact O-C 3.59Å; C208-A211 WeakPolarHBondContact O-CA 3.26Å; C208-A211 WeakPolarHBondContact O-CB 3.32Å; C208-A211 PolarHBondContact O-N 3.45Å; C208-G212 PolarHBondContact O-N 3.04Å; C208-V213 CarbonylContact C-O 3.6Å; C208-V213 VanDerWaalsContact C-O 3.25Å; C208-V213 HydrophobicContact CB-CB 4.21Å; C208-V213 PolarHBondContact O-N 3.44Å; C208-C215 HydrophobicContact CB-CB 3.46Å; C208-C215 VanDerWaalsContact CB-CB 3.46Å
209N95.4Very high95Very high37 Ų3737.4 Ų37.420%0.19821%0.214CC..Hα-helixtrans-63.8-38.2179.7-70.7-63.4000111.8Y205 H206 A211 G212 V213 C215 G226Y205-N209 VanDerWaalsContact CD2-ND2 3.35Å; Y205-N209 WeakPolarHBondContact CD2-ND2 3.37Å; Y205-N209 WeakPolarHBondContact CE2-ND2 3.35Å; Y205-N209 PolarHBondContact O-N 2.84Å; Y205-N209 PolarHBondContact O-ND2 3.16Å; H206-N209 PolarHBondContact O-N 3.44Å; N209-A211 PolarHBondContact O-N 2.64Å; N209-G212 PolarHBondContact O-N 3.29Å; N209-V213 WeakPolarHBondContact CA-O 3.12Å; N209-V213 PolarHBondContact N-O 3.3Å; N209-V213 PolarHBondContact OD1-O 3.39Å; N209-C215 PolarHBondContact ND2-O 2.82Å; N209-C215 PolarHBondContact OD1-N 3.31Å; N209-C215 VanDerWaalsContact OD1-N 3.14Å; N209-C215 PolarHBondContact OD1-O 2.91Å; N209-G226 VanDerWaalsContact OD1-CA 3.29Å; N209-G226 WeakPolarHBondContact OD1-CA 3.26Å; N209-G226 PolarHBondContact OD1-O 2.96Å
210N94.8Very high94.9Very high139 Ų13937 Ų3774%0.74322%0.216SC*.Hα-helixtrans-64.8-24173.6-70.5-12.5000113.1H206 C208 G212H206-N210 WeakPolarHBondContact O-CB 3.36Å; H206-N210 PolarHBondContact O-N 3.43Å; H206-N210 PolarHBondContact O-ND2 3.14Å; C208-N210 VanDerWaalsContact C-N 3.32Å; C208-N210 PolarHBondContact O-N 3.34Å; N210-G212 VanDerWaalsContact C-N 3.33Å
211A94.5Very high94.7Very high59 Ų5936.8 Ų36.849%0.48821%0.214SC..THydrogen-bonded Turntrans-90.75.9173.700000113.1M186 R207 C208 N209M186-A211 HydrophobicContact CE-CB 3.25Å; R207-A211 WeakPolarHBondContact O-CB 3.42Å; R207-A211 PolarHBondContact O-N 2.9Å; C208-A211 CarbonylContact O-C 3.59Å; C208-A211 WeakPolarHBondContact O-CA 3.26Å; C208-A211 WeakPolarHBondContact O-CB 3.32Å; C208-A211 PolarHBondContact O-N 3.45Å; N209-A211 PolarHBondContact O-N 2.64Å
212G93.7Very high94.5Very high70 Ų7038.9 Ų38.972%0.72222%0.224SC*.THydrogen-bonded Turntrans79.412.5-179.500000114.9C208 N209 N210C208-G212 PolarHBondContact O-N 3.04Å; N209-G212 PolarHBondContact O-N 3.29Å; N210-G212 VanDerWaalsContact C-N 3.33Å
213V95.1Very high94.5Very high25 Ų2543.9 Ų43.915%0.15224%0.24CC..  trans-96.1113.6175.8-178.50000108.8M186 C208 N209 C215 H234M186-V213 HydrophobicContact CB-CG2 4.28Å; M186-V213 HydrophobicContact CE-CG2 4.26Å; C208-V213 CarbonylContact C-O 3.6Å; C208-V213 VanDerWaalsContact C-O 3.25Å; C208-V213 HydrophobicContact CB-CB 4.21Å; C208-V213 PolarHBondContact O-N 3.44Å; N209-V213 WeakPolarHBondContact CA-O 3.12Å; N209-V213 PolarHBondContact N-O 3.3Å; N209-V213 PolarHBondContact OD1-O 3.39Å; V213-C215 PolarHBondContact O-N 3.1Å; V213-H234 HydrophobicContact CG1-CB 4.36Å; V213-H234 WeakPolarHBondContact CG1-ND1 3.41Å
214S95.7Very high94.4Very high38 Ų3841.9 Ų41.927%0.26623%0.234SC..  trans-63.8103.5-179.8-169.80000110.5G232 D233 H234S214-G232 WeakPolarHBondContact OG-CA 3.44Å; S214-D233 PolarHBondContact O-N 2.64Å; S214-H234 PolarHBondContact O-N 3.47Å; S214-H234 VanDerWaalsContact O-N 3.14Å
215C97.6Very high94.3Very high0 Ų047.7 Ų47.70%026%0.257CS..EExtended strand (participates in β ladder)trans-127124.3-173.5-175.20000110.2Y205 C208 N209 V213 G226 H234Y205-C215 WeakPolarHBondContact CD2-O 3.19Å; Y205-C215 WeakPolarHBondContact CE2-O 3.32Å; C208-C215 HydrophobicContact CB-CB 3.46Å; C208-C215 VanDerWaalsContact CB-CB 3.46Å; N209-C215 PolarHBondContact ND2-O 2.82Å; N209-C215 PolarHBondContact OD1-N 3.31Å; N209-C215 VanDerWaalsContact OD1-N 3.14Å; N209-C215 PolarHBondContact OD1-O 2.91Å; V213-C215 PolarHBondContact O-N 3.1Å; C215-G226 WeakPolarHBondContact O-CA 3.23Å; C215-G226 PolarHBondContact O-N 2.59Å; C215-H234 CarbonylContact C-O 3.53Å; C215-H234 VanDerWaalsContact CA-O 3.28Å; C215-H234 WeakPolarHBondContact CA-O 3.37Å; C215-H234 HydrophobicContact CB-CB 3.94Å
216D97.8Very high93.7Very high10 Ų1047.1 Ų47.15%0.05326%0.26CS..EExtended strand (participates in β ladder)trans-86.6155.3176.7-64.9-11.1000110.9C224 Y225 G226 A231 G232 H234 I235 S236D216-C224 CarbonylContact C-O 3.56Å; D216-C224 VanDerWaalsContact CA-O 3.26Å; D216-C224 WeakPolarHBondContact CA-O 3.45Å; D216-C224 WeakPolarHBondContact CB-O 3.28Å; D216-Y225 VanDerWaalsContact OD1-CA 3.31Å; D216-Y225 WeakPolarHBondContact OD1-CA 3.32Å; D216-G226 PolarHBondContact OD1-N 3.2Å; D216-A231 WeakPolarHBondContact OD2-CA 3.36Å; D216-G232 VanDerWaalsContact CG-N 3.31Å; D216-G232 PolarHBondContact OD1-N 2.87Å; D216-G232 VanDerWaalsContact OD1-N 3.14Å; D216-G232 PolarHBondContact OD2-N 3.06Å; D216-H234 PolarHBondContact N-O 3.34Å; D216-I235 HydrophobicContact CB-CG1 4.48Å; D216-S236 PolarHBondContact O-N 3.29Å
217L97Very high93.2Very high2 Ų246.1 Ų46.11%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-108.3128.4173179.564.5000109.5A201 Y205 T219 E222 R223 C224 S236A201-L217 HydrophobicContact CB-CD1 3.91Å; Y205-L217 HydrophobicContact CD1-CB 4.38Å; Y205-L217 HydrophobicContact CD2-CB 3.6Å; Y205-L217 HydrophobicContact CE2-CB 4Å; Y205-L217 HydrophobicContact CG-CB 3.8Å; L217-T219 HydrophobicContact CD1-CG2 3.95Å; L217-T219 HydrophobicContact CG-CG2 4.23Å; L217-E222 HydrophobicContact CD2-CG 4.48Å; L217-R223 CarbonylContact O-C 3.59Å; L217-R223 VanDerWaalsContact O-CA 3.27Å; L217-R223 WeakPolarHBondContact O-CA 3.17Å; L217-C224 HydrophobicContact CB-CB 4.1Å; L217-C224 PolarHBondContact N-O 3.4Å; L217-C224 PolarHBondContact O-N 3.4Å; L217-S236 CarbonylContact C-O 3.5Å; L217-S236 WeakPolarHBondContact CA-O 3.48Å
218I96.4Very high92.5Very high41 Ų4144.3 Ų44.321%0.2127%0.267CS..EExtended strand (participates in β ladder)trans-131.6107.3173.3-54-179.5000110.1R223 I235 S236 C237 T238 M241I218-R223 HydrophobicContact CG2-CG 4.47Å; I218-I235 HydrophobicContact CB-CG2 4.46Å; I218-I235 HydrophobicContact CD1-CD1 4.3Å; I218-I235 HydrophobicContact CD1-CG2 3.81Å; I218-I235 HydrophobicContact CG1-CG2 4.02Å; I218-S236 PolarHBondContact N-O 3.42Å; I218-C237 HydrophobicContact CB-CB 4.04Å; I218-C237 WeakPolarHBondContact O-CA 3.45Å; I218-C237 WeakPolarHBondContact O-CB 3.31Å; I218-T238 PolarHBondContact O-N 3.06Å; I218-M241 HydrophobicContact CG2-CB 4.01Å; I218-M241 HydrophobicContact CG2-CE 4.17Å
219T94.7Very high91.7Very high1 Ų152.4 Ų52.41%0.00630%0.304CS..  trans-115.2178.4169.673.70000110.2K198 L217 D221 E222 T238K198-T219 HydrophobicContact CB-CG2 4.4Å; K198-T219 HydrophobicContact CD-CG2 4.48Å; K198-T219 HydrophobicContact CG-CG2 4.08Å; L217-T219 HydrophobicContact CD1-CG2 3.95Å; L217-T219 HydrophobicContact CG-CG2 4.23Å; T219-D221 PolarHBondContact O-N 3.09Å; T219-D221 PolarHBondContact OG1-OD1 3.33Å; T219-E222 PolarHBondContact N-O 3.38Å; T219-E222 VanDerWaalsContact OG1-CB 3.28Å; T219-E222 WeakPolarHBondContact OG1-CB 3.41Å; T219-E222 PolarHBondContact OG1-N 3.4Å; T219-E222 VanDerWaalsContact OG1-N 3.07Å; T219-T238 HydrophobicContact CG2-CG2 4.11Å
220G90.1Very high91.3Very high12 Ų1253.6 Ų53.612%0.12432%0.315CS..SBendtrans-58.6-33.7177.900000113.2W604 R608G220-W604 WeakPolarHBondContact O-CA 3.43Å; G220-R608 PolarHBondContact O-NH1 3.17Å
221D89Confident90.9Very high15 Ų1550.5 Ų50.58%0.0831%0.309CS..SBendtrans-114.6-5.9-172.869.8-59.3000113.8K198 T219 L603 Y607 R620K198-D221 IonicContact NZ-OD1 3.9Å; K198-D221 IonicContact NZ-OD2 2.79Å; K198-D221 PolarHBondContact NZ-OD2 2.85Å; T219-D221 PolarHBondContact O-N 3.09Å; T219-D221 PolarHBondContact OG1-OD1 3.33Å; D221-L603 HydrophobicContact CB-CB 4.01Å; D221-Y607 WeakPolarHBondContact O-CE2 3.25Å; D221-R620 VanDerWaalsContact C-NH2 3.34Å; D221-R620 PolarHBondContact O-NH2 2.86Å; D221-R620 IonicContact OD2-CZ 2.57Å; D221-R620 IonicContact OD2-NH1 3.42Å; D221-R620 PolarHBondContact OD2-NH1 3.35Å; D221-R620 IonicContact OD2-NH2 3.78Å; D221-R620 PolarHBondContact OD2-NH2 2.83Å
222E90.9Very high90.6Very high44 Ų4448.4 Ų48.421%0.20629%0.293CS..  trans-141139.7-171.8-165.1167.2-173.300112.3K198 L217 T219K198-E222 WeakPolarHBondContact CE-OE2 3.32Å; K198-E222 IonicContact NZ-OE2 2.9Å; K198-E222 PolarHBondContact NZ-OE2 2.85Å; L217-E222 HydrophobicContact CD2-CG 4.48Å; T219-E222 PolarHBondContact N-O 3.38Å; T219-E222 VanDerWaalsContact OG1-CB 3.28Å; T219-E222 WeakPolarHBondContact OG1-CB 3.41Å; T219-E222 PolarHBondContact OG1-N 3.4Å; T219-E222 VanDerWaalsContact OG1-N 3.07Å
223R92.6Very high90.6Very high130 Ų13049.8 Ų49.849%0.49128%0.284SS..EExtended strand (participates in β ladder)trans-134126.9168.6-62.4-174.7-172.2-179.52.8109.9L217 I218 Y607L217-R223 CarbonylContact O-C 3.59Å; L217-R223 VanDerWaalsContact O-CA 3.27Å; L217-R223 WeakPolarHBondContact O-CA 3.17Å; I218-R223 HydrophobicContact CG2-CG 4.47Å; R223-Y607 HydrophobicContact CB-CD1 4.39Å; R223-Y607 HydrophobicContact CB-CE1 3.68Å; R223-Y607 VanDerWaalsContact CD-CD1 3.48Å; R223-Y607 HydrophobicContact CG-CD1 3.73Å; R223-Y607 HydrophobicContact CG-CE1 3.5Å; R223-Y607 HydrophobicContact CG-CG 4.46Å; R223-Y607 PolarHBondContact N-OH 3.24Å
224C91.8Very high90.7Very high35 Ų3549 Ų4924%0.23628%0.278CS..EExtended strand (participates in β ladder)trans-133.8135.6176.9-55.20000110.6Y205 D216 L217Y205-C224 HydrophobicContact CE2-CB 4.31Å; D216-C224 CarbonylContact C-O 3.56Å; D216-C224 VanDerWaalsContact CA-O 3.26Å; D216-C224 WeakPolarHBondContact CA-O 3.45Å; D216-C224 WeakPolarHBondContact CB-O 3.28Å; L217-C224 HydrophobicContact CB-CB 4.1Å; L217-C224 PolarHBondContact N-O 3.4Å; L217-C224 PolarHBondContact O-N 3.4Å
225Y92.1Very high90.9Very high129 Ų12948.6 Ų48.651%0.50627%0.273SS..  trans-82.9135169.7-62.4-59.1000110.1Y205 D216 N227 G228Y205-Y225 PolarHBondContact OH-O 2.59Å; D216-Y225 VanDerWaalsContact OD1-CA 3.31Å; D216-Y225 WeakPolarHBondContact OD1-CA 3.32Å; Y225-N227 PolarHBondContact O-N 3.18Å; Y225-G228 PolarHBondContact O-N 2.93Å
226G83.7Confident90.9Very high18 Ų1848.6 Ų48.619%0.18627%0.273CS..THydrogen-bonded Turntrans-59.5-34.4-178.400000113.5N209 C215 D216N209-G226 VanDerWaalsContact OD1-CA 3.29Å; N209-G226 WeakPolarHBondContact OD1-CA 3.26Å; N209-G226 PolarHBondContact OD1-O 2.96Å; C215-G226 WeakPolarHBondContact O-CA 3.23Å; C215-G226 PolarHBondContact O-N 2.59Å; D216-G226 PolarHBondContact OD1-N 3.2Å
227N83.8Confident90.9Very high74 Ų7448.1 Ų48.140%0.39627%0.271SS..THydrogen-bonded Turntrans-98.96.3174.671.611.6000113.7Y225 H229 S230Y225-N227 PolarHBondContact O-N 3.18Å; N227-H229 VanDerWaalsContact C-N 3.26Å; N227-H229 PolarHBondContact O-N 3.22Å; N227-H229 PolarHBondContact O-ND1 3.44Å; N227-H229 PolarHBondContact OD1-N 3.08Å; N227-S230 PolarHBondContact ND2-OG 3.25Å; N227-S230 PolarHBondContact OD1-N 2.98Å; N227-S230 PolarHBondContact OD1-O 2.87Å
228G80.4Confident90.9Very high51 Ų5148.7 Ų48.753%0.52627%0.274SS..SBendtrans76.4-10-178.500000116.6Y225Y225-G228 PolarHBondContact O-N 2.93Å
229H79.2Confident91Very high170 Ų17046.7 Ų46.779%0.78726%0.264SS*.SBendtrans-133.8-34.7-167.4-56.788.7000115.1N227N227-H229 VanDerWaalsContact C-N 3.26Å; N227-H229 PolarHBondContact O-N 3.22Å; N227-H229 PolarHBondContact O-ND1 3.44Å; N227-H229 PolarHBondContact OD1-N 3.08Å
230S85.9Confident91.1Very high62 Ų6248.9 Ų48.943%0.43427%0.274SS..SBendtrans-134.4157.4-177.674.90000111.3N227 G232N227-S230 PolarHBondContact ND2-OG 3.25Å; N227-S230 PolarHBondContact OD1-N 2.98Å; N227-S230 PolarHBondContact OD1-O 2.87Å; S230-G232 PolarHBondContact O-N 3.49Å
231A86.1Confident91.4Very high75 Ų7550.1 Ų50.162%0.6228%0.277SS*.  trans-56.2133174.900000111D216D216-A231 WeakPolarHBondContact OD2-CA 3.36Å
232G88.6Confident91.8Very high14 Ų1449.6 Ų49.614%0.14427%0.274CS..  trans-83.1163.4172.700000112.4S214 D216 S230 H234S214-G232 WeakPolarHBondContact OG-CA 3.44Å; D216-G232 VanDerWaalsContact CG-N 3.31Å; D216-G232 PolarHBondContact OD1-N 2.87Å; D216-G232 VanDerWaalsContact OD1-N 3.14Å; D216-G232 PolarHBondContact OD2-N 3.06Å; S230-G232 PolarHBondContact O-N 3.49Å; G232-H234 VanDerWaalsContact C-N 3.25Å; G232-H234 PolarHBondContact O-N 3.06Å
233D94.4Very high92.1Very high100 Ų10051 Ų5154%0.53528%0.284SS..SBendtrans-74.9-18.8174.7-64.1-55.6000112.7K189 T190 G191 S214K189-D233 WeakPolarHBondContact O-CB 3.48Å; T190-D233 WeakPolarHBondContact CA-O 3.31Å; T190-D233 WeakPolarHBondContact CB-O 3.47Å; T190-D233 HydrophobicContact CG2-CB 4.31Å; G191-D233 PolarHBondContact N-O 2.86Å; S214-D233 PolarHBondContact O-N 2.64Å
234H98Very high92.3Very high7 Ų746 Ų463%0.03227%0.267CS..EExtended strand (participates in β ladder)trans-115.3149.8178.4-65.567000111F185 A188 G191 V213 S214 C215 D216 G232F185-H234 HydrophobicContact CE2-CB 4.4Å; F185-H234 AromaticContact CE2-CD2 3.76Å; F185-H234 HydrophobicContact CZ-CB 4Å; F185-H234 AromaticContact CZ-CD2 3.83Å; F185-H234 PolarHBondContact O-CD2 3.26Å; F185-H234 PolarHBondContact O-NE2 3.19Å; A188-H234 PolarHBondContact O-CE1 3.34Å; A188-H234 PolarHBondContact O-NE2 2.98Å; G191-H234 CarbonylContact O-C 3.6Å; G191-H234 VanDerWaalsContact O-CA 3.28Å; G191-H234 WeakPolarHBondContact O-CA 3.18Å; V213-H234 HydrophobicContact CG1-CB 4.36Å; V213-H234 WeakPolarHBondContact CG1-ND1 3.41Å; S214-H234 PolarHBondContact O-N 3.47Å; S214-H234 VanDerWaalsContact O-N 3.14Å; C215-H234 CarbonylContact C-O 3.53Å; C215-H234 VanDerWaalsContact CA-O 3.28Å; C215-H234 WeakPolarHBondContact CA-O 3.37Å; C215-H234 HydrophobicContact CB-CB 3.94Å; D216-H234 PolarHBondContact N-O 3.34Å; G232-H234 VanDerWaalsContact C-N 3.25Å; G232-H234 PolarHBondContact O-N 3.06Å
235I98.1Very high92.5Very high30 Ų3046.1 Ų46.115%0.15428%0.275CS..EExtended strand (participates in β ladder)trans-129.9133.9175.7-60.3176.3000108.6G191 V192 Y193 D216 I218 C237 Y248G191-I235 PolarHBondContact O-N 3.37Å; V192-I235 CarbonylContact C-O 3.54Å; V192-I235 VanDerWaalsContact CA-O 3.32Å; V192-I235 WeakPolarHBondContact CA-O 3.31Å; V192-I235 HydrophobicContact CG2-CB 4.23Å; V192-I235 HydrophobicContact CG2-CG2 4.35Å; Y193-I235 PolarHBondContact N-O 3.43Å; D216-I235 HydrophobicContact CB-CG1 4.48Å; I218-I235 HydrophobicContact CB-CG2 4.46Å; I218-I235 HydrophobicContact CD1-CD1 4.3Å; I218-I235 HydrophobicContact CD1-CG2 3.81Å; I218-I235 HydrophobicContact CG1-CG2 4.02Å; I235-C237 HydrophobicContact CG2-CB 4.2Å; I235-Y248 HydrophobicContact CD1-CE1 4.13Å
236S98.3Very high92.7Very high0 Ų043 Ų430%027%0.269CS..EExtended strand (participates in β ladder)trans-111.5120.2165.7-175.60000108.5Y193 A201 D216 L217 I218Y193-S236 WeakPolarHBondContact CD1-OG 3.4Å; A201-S236 WeakPolarHBondContact CA-OG 3.5Å; A201-S236 PolarHBondContact O-OG 3.49Å; D216-S236 PolarHBondContact O-N 3.29Å; L217-S236 CarbonylContact C-O 3.5Å; L217-S236 WeakPolarHBondContact CA-O 3.48Å; I218-S236 PolarHBondContact N-O 3.42Å
237C98.1Very high93.4Very high1 Ų145.6 Ų45.61%0.00728%0.276CS..EExtended strand (participates in β ladder)trans-136.1161.1-175.572.60000113.2Y193 C194 G195 I218 I235 M241Y193-C237 PolarHBondContact O-N 3.28Å; Y193-C237 PolarHBondContact O-SG 3.14Å; C194-C237 WeakPolarHBondContact CA-O 3.48Å; G195-C237 PolarHBondContact N-O 2.9Å; I218-C237 HydrophobicContact CB-CB 4.04Å; I218-C237 WeakPolarHBondContact O-CA 3.45Å; I218-C237 WeakPolarHBondContact O-CB 3.31Å; I235-C237 HydrophobicContact CG2-CB 4.2Å; C237-M241 HydrophobicContact CB-CB 4.33Å
238T97.3Very high94.1Very high13 Ų1342.5 Ų42.58%0.0826%0.259CS..EExtended strand (participates in β ladder)trans-68.5143.9159.449.40000109G195 I218 T219 E240 M241G195-T238 CarbonylContact O-C 3.49Å; G195-T238 WeakPolarHBondContact O-CA 3.39Å; I218-T238 PolarHBondContact O-N 3.06Å; T219-T238 HydrophobicContact CG2-CG2 4.11Å; T238-E240 PolarHBondContact O-N 3.38Å; T238-E240 VanDerWaalsContact O-N 3.08Å; T238-M241 WeakPolarHBondContact O-CB 3.26Å; T238-M241 PolarHBondContact O-N 2.92Å; T238-M241 VanDerWaalsContact OG1-CG 3.23Å; T238-M241 WeakPolarHBondContact OG1-CG 3.27Å
239V98.2Very high94.9Very high0 Ų043.2 Ų43.20%025%0.248CC..G310 helixtrans-54.3-33.1-174.565.20000113.7C194 G195 M241 L242 A267 W268 A271C194-V239 HydrophobicContact CB-CB 4.23Å; C194-V239 HydrophobicContact CB-CG2 4.22Å; G195-V239 PolarHBondContact O-N 2.85Å; V239-M241 PolarHBondContact O-N 3.36Å; V239-L242 PolarHBondContact O-N 3.19Å; V239-A267 HydrophobicContact CG1-CB 3.82Å; V239-A267 HydrophobicContact CG2-CB 4.32Å; V239-W268 HydrophobicContact CG1-CD2 4.07Å; V239-W268 HydrophobicContact CG1-CE3 4.14Å; V239-W268 HydrophobicContact CG1-CH2 3.91Å; V239-W268 HydrophobicContact CG1-CZ2 3.82Å; V239-W268 HydrophobicContact CG1-CZ3 4.06Å; V239-W268 HydrophobicContact CG2-CD2 4.41Å; V239-W268 HydrophobicContact CG2-CG 4.35Å; V239-A271 HydrophobicContact CG2-CB 3.78Å
240E96.5Very high95.9Very high47 Ų4735.7 Ų35.722%0.2222%0.215CC..G310 helixtrans-63.3-24.8176-65.282.5175.600113.8T238 R264 W266 A267T238-E240 PolarHBondContact O-N 3.38Å; T238-E240 VanDerWaalsContact O-N 3.08Å; E240-R264 IonicContact OE1-CZ 3.84Å; E240-R264 IonicContact OE1-NE 2.69Å; E240-R264 PolarHBondContact OE1-NE 2.71Å; E240-R264 IonicContact OE1-NH2 2.75Å; E240-R264 PolarHBondContact OE1-NH2 3.4Å; E240-R264 IonicContact OE2-NH2 3.56Å; E240-R264 PolarHBondContact OE2-NH2 2.85Å; E240-W266 HydrophobicContact CG-CH2 4.35Å; E240-W266 HydrophobicContact CG-CZ2 4.28Å; E240-A267 HydrophobicContact CG-CB 3.86Å
241M96.3Very high96.5Very high37 Ų3732.8 Ų32.818%0.18219%0.194CC..G310 helixtrans-98.22.6-173.4-61.2-57.9-59.300113.1I218 C237 T238 V239 D243I218-M241 HydrophobicContact CG2-CB 4.01Å; I218-M241 HydrophobicContact CG2-CE 4.17Å; C237-M241 HydrophobicContact CB-CB 4.33Å; T238-M241 WeakPolarHBondContact O-CB 3.26Å; T238-M241 PolarHBondContact O-N 2.92Å; T238-M241 VanDerWaalsContact OG1-CG 3.23Å; T238-M241 WeakPolarHBondContact OG1-CG 3.27Å; V239-M241 PolarHBondContact O-N 3.36Å; M241-D243 PolarHBondContact O-N 2.99Å
242L98Very high97.1Very high4 Ų429.2 Ų29.22%0.02116%0.164CC..  trans-55.8128.9174170.966000110.3V192 V239 T244 R270 A271 V275V192-L242 HydrophobicContact CB-CD1 4.49Å; V192-L242 HydrophobicContact CG1-CD1 3.96Å; V192-L242 HydrophobicContact CG2-CD1 3.86Å; V239-L242 PolarHBondContact O-N 3.19Å; L242-T244 HydrophobicContact CD2-CG2 4.22Å; L242-T244 HydrophobicContact CG-CG2 4.36Å; L242-R270 VanDerWaalsContact O-CZ 3.28Å; L242-R270 PolarHBondContact O-NH1 2.79Å; L242-R270 PolarHBondContact O-NH2 2.58Å; L242-A271 HydrophobicContact CD2-CB 3.6Å; L242-V275 HydrophobicContact CD1-CG2 4.11Å; L242-V275 HydrophobicContact CD2-CB 4.02Å; L242-V275 HydrophobicContact CD2-CG2 4.19Å
243D96.3Very high97.6Very high75 Ų7528.5 Ų28.540%0.40116%0.158SC..  trans-86.5123.9164.1178.226.3000109.9M241 G245 T246M241-D243 PolarHBondContact O-N 2.99Å; D243-G245 PolarHBondContact OD1-N 3.44Å; D243-T246 WeakPolarHBondContact OD2-CB 3.5Å; D243-T246 PolarHBondContact OD2-N 3.16Å; D243-T246 PolarHBondContact OD2-OG1 3.16Å
244T96.6Very high97.7Very high24 Ų2424 Ų2415%0.14713%0.134CC..SBendtrans-90.8-9.2179.848.10000112.8L242 R270 G274 H276L242-T244 HydrophobicContact CD2-CG2 4.22Å; L242-T244 HydrophobicContact CG-CG2 4.36Å; T244-R270 HydrophobicContact CG2-CG 4.29Å; T244-R270 PolarHBondContact OG1-NH2 3.26Å; T244-G274 VanDerWaalsContact CB-O 3.28Å; T244-G274 WeakPolarHBondContact CB-O 3.44Å; T244-G274 WeakPolarHBondContact CG2-O 3.35Å; T244-H276 WeakPolarHBondContact O-CB 3.38Å
245G95.9Very high97.6Very high38 Ų3824.2 Ų24.239%0.39214%0.135SC..SBendtrans-85.5-31.4177.500000113.9D243 H276D243-G245 PolarHBondContact OD1-N 3.44Å; G245-H276 PolarHBondContact O-ND1 3.21Å
246T96.8Very high97.6Very high62 Ų6222.8 Ų22.838%0.3813%0.127SC..SBendtrans-74.6133.6-179.7-63.40000111.9D243 Y248D243-T246 WeakPolarHBondContact OD2-CB 3.5Å; D243-T246 PolarHBondContact OD2-N 3.16Å; D243-T246 PolarHBondContact OD2-OG1 3.16Å; T246-Y248 HydrophobicContact CG2-CE1 3.86Å; T246-Y248 HydrophobicContact CG2-CE2 3.95Å; T246-Y248 WeakPolarHBondContact O-CD2 3.28Å; T246-Y248 WeakPolarHBondContact O-CE2 3.3Å
247H98.2Very high97.5Very high73 Ų7323.2 Ų23.234%0.33813%0.129SC..  trans-77.4134.7173.9176.5-92.8000111.7H276 D278H247-H276 CarbonylContact C-O 3.54Å; H247-H276 WeakPolarHBondContact CA-O 3.27Å; H247-H276 AromaticContact CD2-NE2 3.8Å; H247-D278 IonicContact CE1-OD1 2.82Å; H247-D278 IonicContact CE1-OD2 3.6Å; H247-D278 PolarHBondContact CE1-OD2 3.45Å; H247-D278 IonicContact NE2-OD1 3.57Å; H247-D278 PolarHBondContact NE2-OD1 3.19Å; H247-D278 IonicContact NE2-OD2 2.78Å; H247-D278 PolarHBondContact NE2-OD2 2.95Å
248Y98.4Very high97.5Very high9 Ų924.3 Ų24.34%0.03513%0.134CC..EExtended strand (participates in β ladder)trans-127.9149.6174-54.5-84.6000111.5V192 I235 T246 H276 A277 D278V192-Y248 HydrophobicContact CB-CD1 3.92Å; V192-Y248 HydrophobicContact CB-CD2 4.21Å; V192-Y248 HydrophobicContact CB-CE1 3.83Å; V192-Y248 HydrophobicContact CB-CE2 4.13Å; V192-Y248 HydrophobicContact CB-CG 4.1Å; V192-Y248 HydrophobicContact CG1-CD1 4.22Å; V192-Y248 HydrophobicContact CG1-CD2 3.73Å; V192-Y248 HydrophobicContact CG1-CE1 4.41Å; V192-Y248 HydrophobicContact CG1-CE2 3.93Å; V192-Y248 HydrophobicContact CG1-CG 3.87Å; I235-Y248 HydrophobicContact CD1-CE1 4.13Å; T246-Y248 HydrophobicContact CG2-CE1 3.86Å; T246-Y248 HydrophobicContact CG2-CE2 3.95Å; T246-Y248 WeakPolarHBondContact O-CD2 3.28Å; T246-Y248 WeakPolarHBondContact O-CE2 3.3Å; Y248-H276 PolarHBondContact N-O 2.86Å; Y248-A277 WeakPolarHBondContact O-CA 3.38Å; Y248-A277 WeakPolarHBondContact O-CB 3.48Å; Y248-D278 PolarHBondContact O-N 3.23Å; Y248-D278 VanDerWaalsContact O-N 3.11Å
249H98.6Very high97.5Very high66 Ų6623.7 Ų23.731%0.30613%0.13SC..EExtended strand (participates in β ladder)trans-76.6-39.9171.7-63.871.6000110.8A188 T190 D278 E279A188-H249 HydrophobicContact CB-CB 4.24Å; T190-H249 PolarHBondContact N-ND1 2.71Å; T190-H249 WeakPolarHBondContact O-CB 3.49Å; T190-H249 PolarHBondContact O-N 3.42Å; T190-H249 PolarHBondContact OG1-N 3.37Å; T190-H249 PolarHBondContact OG1-ND1 2.85Å; H249-D278 IonicContact CD2-OD2 3.65Å; H249-E279 PolarHBondContact O-N 3.25Å; H249-E279 VanDerWaalsContact O-N 3.09Å
250V98.7Very high97.4Very high13 Ų1327.6 Ų27.68%0.07915%0.145CC..EExtended strand (participates in β ladder)trans-132.2128.3179.4175.30000111.6F185 A188 T190 G191 V192 V252 E279F185-V250 HydrophobicContact CB-CG1 4.16Å; A188-V250 HydrophobicContact CB-CB 3.78Å; A188-V250 HydrophobicContact CB-CG2 3.54Å; T190-V250 PolarHBondContact O-N 2.94Å; G191-V250 CarbonylContact C-O 3.57Å; G191-V250 WeakPolarHBondContact CA-O 3.45Å; V192-V250 PolarHBondContact N-O 3.26Å; V250-V252 HydrophobicContact CG1-CG2 4.44Å; V250-E279 CarbonylContact C-O 3.51Å; V250-E279 WeakPolarHBondContact CA-O 3.4Å; V250-E279 HydrophobicContact CG2-CB 4.46Å
251A98.8Very high97.4Very high0 Ų027.7 Ų27.70%015%0.147CC..EExtended strand (participates in β ladder)trans-112.1140.1168.300000111.2V192 V275 A277 E279 V280 H281V192-A251 HydrophobicContact CG1-CB 3.73Å; V192-A251 CarbonylContact O-C 3.43Å; V192-A251 VanDerWaalsContact O-CA 3.3Å; V192-A251 WeakPolarHBondContact O-CA 3.41Å; A251-V275 HydrophobicContact CB-CG1 4.22Å; A251-V275 HydrophobicContact CB-CG2 3.62Å; A251-A277 HydrophobicContact CB-CB 3.65Å; A251-E279 PolarHBondContact N-O 3.49Å; A251-V280 HydrophobicContact CB-CG1 4.43Å; A251-V280 HydrophobicContact CB-CG2 4.43Å; A251-V280 CarbonylContact O-C 3.52Å; A251-V280 WeakPolarHBondContact O-CA 3.45Å; A251-H281 PolarHBondContact O-N 3.48Å
252V98.8Very high97.2Very high0 Ų031.2 Ų31.20%017%0.166CC..EExtended strand (participates in β ladder)trans-119.8120171.9-178.10000108.8A181 F185 V192 Y193 C194 V250 H281A181-V252 HydrophobicContact CB-CG1 3.98Å; A181-V252 HydrophobicContact CB-CG2 4.18Å; F185-V252 HydrophobicContact CB-CG2 3.74Å; F185-V252 HydrophobicContact CD2-CG2 4.41Å; F185-V252 HydrophobicContact CG-CG2 4.26Å; V192-V252 PolarHBondContact O-N 2.79Å; Y193-V252 HydrophobicContact CD2-CB 3.88Å; Y193-V252 HydrophobicContact CD2-CG1 3.74Å; Y193-V252 HydrophobicContact CE2-CG1 4.07Å; C194-V252 PolarHBondContact N-O 3.02Å; V250-V252 HydrophobicContact CG1-CG2 4.44Å; V252-H281 CarbonylContact C-O 3.58Å; V252-H281 WeakPolarHBondContact CA-O 3.14Å; V252-H281 HydrophobicContact CG2-CB 4.23Å
253I98.7Very high97Very high0 Ų035.9 Ų35.90%019%0.188CC..EExtended strand (participates in β ladder)trans-108.7111.8174.3-57.2170.8000107.7C194 A271 V275 V280 H281 L282 C283C194-I253 HydrophobicContact CB-CG1 4.46Å; I253-A271 VanDerWaalsContact CD1-C 3.49Å; I253-A271 HydrophobicContact CD1-CB 3.72Å; I253-A271 HydrophobicContact CG1-CB 4.17Å; I253-A271 HydrophobicContact CG2-CB 4.44Å; I253-V275 HydrophobicContact CD1-CG1 4.37Å; I253-V280 HydrophobicContact CD1-CG1 4.08Å; I253-H281 PolarHBondContact N-O 3.41Å; I253-L282 HydrophobicContact CB-CD2 3.84Å; I253-L282 HydrophobicContact CD1-CD2 3.83Å; I253-L282 HydrophobicContact CG1-CD2 4.24Å; I253-C283 PolarHBondContact O-N 3.43Å
254D97.5Very high96.9Very high6 Ų635.5 Ų35.53%0.03218%0.181CC..  trans-94.7153.7-176.7-1520.3000112.1T178 Y193 C194 V256 W268 C283T178-D254 WeakPolarHBondContact CG2-OD2 3.36Å; Y193-D254 HydrophobicContact CE2-CB 3.86Å; Y193-D254 PolarHBondContact OH-OD2 3.5Å; C194-D254 PolarHBondContact O-N 2.84Å; D254-V256 VanDerWaalsContact C-N 3.33Å; D254-V256 PolarHBondContact O-N 2.94Å; D254-W268 PolarHBondContact O-NE1 3.13Å; D254-C283 VanDerWaalsContact OD1-CB 3.29Å; D254-C283 WeakPolarHBondContact OD1-CB 3.37Å
255E96Very high96.9Very high11 Ų1134.3 Ų34.35%0.05117%0.174CC..SBendtrans48.447.1-172.9-53-67.4-164.700113.8P196 Q257 M258 W268 C283P196-E255 HydrophobicContact CB-CB 4.18Å; P196-E255 HydrophobicContact CB-CG 4.02Å; P196-E255 HydrophobicContact CG-CB 4.29Å; P196-E255 HydrophobicContact CG-CG 3.63Å; E255-Q257 PolarHBondContact O-N 3.33Å; E255-Q257 PolarHBondContact OE2-NE2 3.47Å; E255-M258 HydrophobicContact CB-CG 3.94Å; E255-M258 VanDerWaalsContact O-CB 3.24Å; E255-M258 WeakPolarHBondContact O-CB 3.3Å; E255-M258 WeakPolarHBondContact O-CG 3.14Å; E255-M258 PolarHBondContact O-N 3.19Å; E255-W268 PolarHBondContact O-NE1 3.33Å; E255-C283 WeakPolarHBondContact CA-O 3.4Å; E255-C283 PolarHBondContact N-O 2.9Å
256V98Very high97Very high0 Ų035.5 Ų35.50%017%0.167CC..G310 helixtrans-56.2-22.6-174.7700000114.3F168 D254 M258 L259 L282 C283 A288 V292F168-V256 HydrophobicContact CE1-CG1 4.29Å; F168-V256 HydrophobicContact CE2-CG1 3.64Å; F168-V256 HydrophobicContact CZ-CG1 3.42Å; F168-V256 VanDerWaalsContact CZ-CG1 3.42Å; D254-V256 VanDerWaalsContact C-N 3.33Å; D254-V256 PolarHBondContact O-N 2.94Å; V256-M258 PolarHBondContact O-N 3.06Å; V256-L259 HydrophobicContact CG2-CD1 3.83Å; V256-L259 HydrophobicContact CG2-CG 4.36Å; V256-L259 WeakPolarHBondContact O-CD1 3.37Å; V256-L259 WeakPolarHBondContact O-CG 3.09Å; V256-L259 PolarHBondContact O-N 3.32Å; V256-L259 VanDerWaalsContact O-N 3.07Å; V256-L282 HydrophobicContact CB-CB 4.46Å; V256-L282 HydrophobicContact CG1-CB 4.3Å; V256-L282 HydrophobicContact CG2-CD2 4.35Å; V256-C283 PolarHBondContact N-O 3.33Å; V256-A288 HydrophobicContact CG1-CB 4.33Å; V256-V292 HydrophobicContact CG2-CG2 4.15Å
257Q96.5Very high97.1Very high9 Ų932.6 Ų32.64%0.04215%0.149CC..G310 helixtrans-61-14.6173.473.8-82.4-2.100114.4E255 L259 R260 E285 A288 I468E255-Q257 PolarHBondContact O-N 3.33Å; E255-Q257 PolarHBondContact OE2-NE2 3.47Å; Q257-L259 PolarHBondContact O-N 2.85Å; Q257-R260 WeakPolarHBondContact O-CG 3.34Å; Q257-R260 PolarHBondContact O-N 3.22Å; Q257-E285 HydrophobicContact CB-CB 4.41Å; Q257-E285 HydrophobicContact CB-CG 3.63Å; Q257-E285 HydrophobicContact CG-CB 4.38Å; Q257-E285 HydrophobicContact CG-CG 3.93Å; Q257-E285 VanDerWaalsContact OE1-N 3.15Å; Q257-A288 HydrophobicContact CB-CB 4.05Å; Q257-I468 HydrophobicContact CB-CD1 3.47Å; Q257-I468 VanDerWaalsContact CB-CD1 3.47Å; Q257-I468 WeakPolarHBondContact O-CD1 3.08Å
258M96.8Very high97.1Very high23 Ų2329.1 Ų29.111%0.11313%0.133CC..G310 helixtrans-67.9-4.5172.8-66.2-62.2-65.300113.3E255 V256 R260 D261 G265 W268 M392E255-M258 HydrophobicContact CB-CG 3.94Å; E255-M258 VanDerWaalsContact O-CB 3.24Å; E255-M258 WeakPolarHBondContact O-CB 3.3Å; E255-M258 WeakPolarHBondContact O-CG 3.14Å; E255-M258 PolarHBondContact O-N 3.19Å; V256-M258 PolarHBondContact O-N 3.06Å; M258-R260 PolarHBondContact O-N 2.8Å; M258-R260 VanDerWaalsContact O-N 3.08Å; M258-D261 HydrophobicContact CE-CB 3.82Å; M258-D261 WeakPolarHBondContact CE-OD2 3.36Å; M258-D261 WeakPolarHBondContact O-CB 2.91Å; M258-D261 PolarHBondContact O-N 3.42Å; M258-G265 VanDerWaalsContact O-CA 3.26Å; M258-G265 WeakPolarHBondContact O-CA 3Å; M258-W268 HydrophobicContact CB-CD2 3.44Å; M258-W268 VanDerWaalsContact CB-CD2 3.44Å; M258-W268 HydrophobicContact CB-CE3 3.6Å; M258-W268 HydrophobicContact CB-CG 4.11Å; M258-W268 HydrophobicContact CB-CH2 3.62Å; M258-W268 HydrophobicContact CB-CZ2 3.44Å; M258-W268 VanDerWaalsContact CB-CZ2 3.44Å; M258-W268 HydrophobicContact CB-CZ3 3.69Å; M258-W268 HydrophobicContact CE-CH2 4.07Å; M258-W268 HydrophobicContact CE-CZ3 4.37Å; M258-W268 HydrophobicContact CG-CH2 3.92Å; M258-W268 HydrophobicContact CG-CZ2 3.65Å; M258-W268 HydrophobicContact CG-CZ3 4.45Å; M258-M392 HydrophobicContact SD-CE 4.5Å
259L98.3Very high97.1Very high0 Ų028.8 Ų28.80%013%0.132CC..G310 helixtrans-46.8-33.9163.6-74.2163000112.6V256 Q257 D261 W268 T269 L272 V292 A471 G472V256-L259 HydrophobicContact CG2-CD1 3.83Å; V256-L259 HydrophobicContact CG2-CG 4.36Å; V256-L259 WeakPolarHBondContact O-CD1 3.37Å; V256-L259 WeakPolarHBondContact O-CG 3.09Å; V256-L259 PolarHBondContact O-N 3.32Å; V256-L259 VanDerWaalsContact O-N 3.07Å; Q257-L259 PolarHBondContact O-N 2.85Å; L259-D261 VanDerWaalsContact C-N 3.28Å; L259-D261 PolarHBondContact O-N 2.9Å; L259-W268 HydrophobicContact CD2-CB 3.75Å; L259-W268 HydrophobicContact CG-CB 3.98Å; L259-T269 WeakPolarHBondContact CD2-OG1 3.46Å; L259-L272 HydrophobicContact CD1-CD2 4.19Å; L259-L272 HydrophobicContact CD2-CD2 4.31Å; L259-V292 HydrophobicContact CD1-CG2 3.83Å; L259-A471 HydrophobicContact CB-CB 4.19Å; L259-A471 HydrophobicContact CD2-CB 3.92Å; L259-A471 WeakPolarHBondContact O-CA 3.45Å; L259-G472 PolarHBondContact O-N 3.46Å
260R96.5Very high97.1Very high83 Ų8328.5 Ų28.531%0.31313%0.128SC..G310 helixtrans-75.7-10.5178.381.5-169.3174.2-162.7-13.9114.8Q257 M258 L262 E285 S425 I468Q257-R260 WeakPolarHBondContact O-CG 3.34Å; Q257-R260 PolarHBondContact O-N 3.22Å; M258-R260 PolarHBondContact O-N 2.8Å; M258-R260 VanDerWaalsContact O-N 3.08Å; R260-L262 PolarHBondContact O-N 3.41Å; R260-E285 IonicContact CZ-OE1 3.77Å; R260-E285 VanDerWaalsContact CZ-OE1 3.31Å; R260-E285 IonicContact NH1-OE1 3.97Å; R260-E285 PolarHBondContact NH1-OE1 3.24Å; R260-E285 IonicContact NH2-OE1 3.62Å; R260-E285 PolarHBondContact NH2-OE1 3.07Å; R260-S425 PolarHBondContact NH2-OG 2.79Å; R260-I468 HydrophobicContact CB-CG1 4.49Å; R260-I468 HydrophobicContact CB-CG2 3.75Å
261D95.1Very high97.1Very high49 Ų4927.9 Ų27.926%0.26212%0.124SC..  trans-66.6126-172.7-174.2-81.2000110.4M258 L259 Q263 R264 G265 F511M258-D261 HydrophobicContact CE-CB 3.82Å; M258-D261 WeakPolarHBondContact CE-OD2 3.36Å; M258-D261 WeakPolarHBondContact O-CB 2.91Å; M258-D261 PolarHBondContact O-N 3.42Å; L259-D261 VanDerWaalsContact C-N 3.28Å; L259-D261 PolarHBondContact O-N 2.9Å; D261-Q263 PolarHBondContact O-N 3.35Å; D261-Q263 PolarHBondContact OD1-N 2.89Å; D261-R264 PolarHBondContact OD1-N 3.15Å; D261-G265 VanDerWaalsContact O-CA 3.3Å; D261-G265 WeakPolarHBondContact O-CA 3.29Å; D261-G265 PolarHBondContact O-N 2.85Å; D261-F511 WeakPolarHBondContact O-CZ 3.4Å
262L93.6Very high97.1Very high111 Ų11127.9 Ų27.958%0.58112%0.124SC*.THydrogen-bonded Turntrans-68.4-18.2-171.6-64.1-179.5000113.3R260 F511 C513 N514R260-L262 PolarHBondContact O-N 3.41Å; L262-F511 HydrophobicContact CD2-CD2 4.26Å; L262-F511 HydrophobicContact CD2-CE2 3.78Å; L262-F511 HydrophobicContact CD2-CZ 4.1Å; L262-C513 CarbonylContact O-C 3.55Å; L262-C513 VanDerWaalsContact O-CA 3.26Å; L262-C513 WeakPolarHBondContact O-CA 3.29Å; L262-C513 WeakPolarHBondContact O-CB 3.43Å; L262-N514 PolarHBondContact O-N 3.43Å
263Q92.1Very high97Very high102 Ų10227.9 Ų27.948%0.47712%0.124SC..THydrogen-bonded Turntrans-111.2-41.8-176.3-177.1168.70.100112.3D261 W266 D517D261-Q263 PolarHBondContact O-N 3.35Å; D261-Q263 PolarHBondContact OD1-N 2.89Å; Q263-W266 PolarHBondContact O-NE1 3.34Å; Q263-D517 PolarHBondContact NE2-OD2 2.87Å
264R94.5Very high97Very high66 Ų6627.9 Ų27.925%0.24912%0.124CC..THydrogen-bonded Turntrans-112.6-6.1-172-60.5174.262.2-154.70.5113.5P196 E240 D261 W266 A267 W268P196-R264 PolarHBondContact O-NH1 3.49Å; P196-R264 VanDerWaalsContact O-NH1 3.11Å; P196-R264 PolarHBondContact O-NH2 3.24Å; E240-R264 IonicContact OE1-CZ 3.84Å; E240-R264 IonicContact OE1-NE 2.69Å; E240-R264 PolarHBondContact OE1-NE 2.71Å; E240-R264 IonicContact OE1-NH2 2.75Å; E240-R264 PolarHBondContact OE1-NH2 3.4Å; E240-R264 IonicContact OE2-NH2 3.56Å; E240-R264 PolarHBondContact OE2-NH2 2.85Å; D261-R264 PolarHBondContact OD1-N 3.15Å; R264-W266 PolarHBondContact O-N 3.07Å; R264-A267 WeakPolarHBondContact O-CB 3.34Å; R264-A267 PolarHBondContact O-N 3.39Å; R264-W268 HydrophobicContact CB-CZ3 3.76Å
265G97.7Very high97Very high0 Ų027.6 Ų27.60%012%0.123CC..Hα-helixtrans-55.6-30.1-174.300000114M258 D261 A267 W268 T269M258-G265 VanDerWaalsContact O-CA 3.26Å; M258-G265 WeakPolarHBondContact O-CA 3Å; D261-G265 VanDerWaalsContact O-CA 3.3Å; D261-G265 WeakPolarHBondContact O-CA 3.29Å; D261-G265 PolarHBondContact O-N 2.85Å; G265-A267 PolarHBondContact O-N 3.22Å; G265-W268 PolarHBondContact O-N 3.17Å; G265-W268 VanDerWaalsContact O-N 3.13Å; G265-T269 PolarHBondContact O-N 3.09Å; G265-T269 VanDerWaalsContact O-N 3.07Å; G265-T269 PolarHBondContact O-OG1 3.08Å
266W97.5Very high97.1Very high63 Ų6328.2 Ų28.224%0.23913%0.125CC..Hα-helixtrans-54.3-32.1172.470.1-96.3000114.5E240 Q263 R264 T269 R270 G472 F474 C513E240-W266 HydrophobicContact CG-CH2 4.35Å; E240-W266 HydrophobicContact CG-CZ2 4.28Å; Q263-W266 PolarHBondContact O-NE1 3.34Å; R264-W266 PolarHBondContact O-N 3.07Å; W266-T269 PolarHBondContact O-N 3.42Å; W266-R270 VanDerWaalsContact O-CB 3.29Å; W266-R270 WeakPolarHBondContact O-CB 3.42Å; W266-R270 PolarHBondContact O-N 3.32Å; W266-G472 VanDerWaalsContact CA-O 3.27Å; W266-G472 WeakPolarHBondContact CA-O 3.25Å; W266-F474 HydrophobicContact CB-CB 3.51Å; W266-F474 AromaticContact CD1-CD2 3.89Å; W266-F474 HydrophobicContact CD2-CB 3.84Å; W266-F474 HydrophobicContact CD2-CG 4.27Å; W266-F474 HydrophobicContact CE3-CB 4.38Å; W266-F474 HydrophobicContact CG-CB 3.43Å; W266-F474 VanDerWaalsContact CG-CB 3.43Å; W266-F474 HydrophobicContact CG-CD2 4.36Å; W266-F474 HydrophobicContact CG-CG 4.05Å; W266-C513 PolarHBondContact N-SG 3.28Å
267A98.2Very high97.2Very high1 Ų128.2 Ų28.21%0.00813%0.125CC..Hα-helixtrans-69.5-39.5-179.800000111.1V239 E240 R264 G265 A271V239-A267 HydrophobicContact CG1-CB 3.82Å; V239-A267 HydrophobicContact CG2-CB 4.32Å; E240-A267 HydrophobicContact CG-CB 3.86Å; R264-A267 WeakPolarHBondContact O-CB 3.34Å; R264-A267 PolarHBondContact O-N 3.39Å; G265-A267 PolarHBondContact O-N 3.22Å; A267-A271 WeakPolarHBondContact O-CB 3.42Å; A267-A271 PolarHBondContact O-N 2.86Å
268W98.8Very high97.3Very high0 Ų030.6 Ų30.60%014%0.139CC..Hα-helixtrans-68.6-39.4172.5-76.9-92.2000112P196 V239 D254 E255 M258 L259 R264 G265 R270 A271 L272P196-W268 HydrophobicContact CB-CH2 4.28Å; P196-W268 HydrophobicContact CB-CZ2 3.69Å; V239-W268 HydrophobicContact CG1-CD2 4.07Å; V239-W268 HydrophobicContact CG1-CE3 4.14Å; V239-W268 HydrophobicContact CG1-CH2 3.91Å; V239-W268 HydrophobicContact CG1-CZ2 3.82Å; V239-W268 HydrophobicContact CG1-CZ3 4.06Å; V239-W268 HydrophobicContact CG2-CD2 4.41Å; V239-W268 HydrophobicContact CG2-CG 4.35Å; D254-W268 PolarHBondContact O-NE1 3.13Å; E255-W268 PolarHBondContact O-NE1 3.33Å; M258-W268 HydrophobicContact CB-CD2 3.44Å; M258-W268 VanDerWaalsContact CB-CD2 3.44Å; M258-W268 HydrophobicContact CB-CE3 3.6Å; M258-W268 HydrophobicContact CB-CG 4.11Å; M258-W268 HydrophobicContact CB-CH2 3.62Å; M258-W268 HydrophobicContact CB-CZ2 3.44Å; M258-W268 VanDerWaalsContact CB-CZ2 3.44Å; M258-W268 HydrophobicContact CB-CZ3 3.69Å; M258-W268 HydrophobicContact CE-CH2 4.07Å; M258-W268 HydrophobicContact CE-CZ3 4.37Å; M258-W268 HydrophobicContact CG-CH2 3.92Å; M258-W268 HydrophobicContact CG-CZ2 3.65Å; M258-W268 HydrophobicContact CG-CZ3 4.45Å; L259-W268 HydrophobicContact CD2-CB 3.75Å; L259-W268 HydrophobicContact CG-CB 3.98Å; R264-W268 HydrophobicContact CB-CZ3 3.76Å; G265-W268 PolarHBondContact O-N 3.17Å; G265-W268 VanDerWaalsContact O-N 3.13Å; W268-R270 VanDerWaalsContact C-N 3.34Å; W268-A271 PolarHBondContact O-N 3.46Å; W268-L272 VanDerWaalsContact O-CB 3.25Å; W268-L272 WeakPolarHBondContact O-CB 3.46Å; W268-L272 PolarHBondContact O-N 3.18Å
269T98.6Very high97.3Very high2 Ų231.6 Ų31.61%0.01214%0.143CC..Hα-helixtrans-62.2-44.7175.8-50.80000110.9L259 G265 W266 A271 L272 L273 A471 G472 L473 F510L259-T269 WeakPolarHBondContact CD2-OG1 3.46Å; G265-T269 PolarHBondContact O-N 3.09Å; G265-T269 VanDerWaalsContact O-N 3.07Å; G265-T269 PolarHBondContact O-OG1 3.08Å; W266-T269 PolarHBondContact O-N 3.42Å; T269-A271 PolarHBondContact O-N 3.3Å; T269-L272 PolarHBondContact O-N 3.42Å; T269-L273 HydrophobicContact CG2-CD1 3.83Å; T269-L273 HydrophobicContact CG2-CG 4.36Å; T269-L273 WeakPolarHBondContact O-CB 3.41Å; T269-L273 WeakPolarHBondContact O-CG 3.5Å; T269-L273 PolarHBondContact O-N 2.87Å; T269-A471 HydrophobicContact CG2-CB 4.32Å; T269-G472 WeakPolarHBondContact CB-O 3.32Å; T269-G472 PolarHBondContact OG1-O 2.85Å; T269-L473 HydrophobicContact CG2-CD2 3.73Å; T269-F510 HydrophobicContact CG2-CD1 4.4Å; T269-F510 HydrophobicContact CG2-CE1 3.87Å
270R98.2Very high97.4Very high59 Ų5931.6 Ų31.622%0.22314%0.143CC..Hα-helixtrans-59.7-45173.8175.2172176.9-92.2-8.7111.7Y156 L242 T244 W266 W268 G274Y156-R270 HydrophobicContact CE1-CG 4.16Å; Y156-R270 WeakPolarHBondContact OH-CA 3.44Å; L242-R270 VanDerWaalsContact O-CZ 3.28Å; L242-R270 PolarHBondContact O-NH1 2.79Å; L242-R270 PolarHBondContact O-NH2 2.58Å; T244-R270 HydrophobicContact CG2-CG 4.29Å; T244-R270 PolarHBondContact OG1-NH2 3.26Å; W266-R270 VanDerWaalsContact O-CB 3.29Å; W266-R270 WeakPolarHBondContact O-CB 3.42Å; W266-R270 PolarHBondContact O-N 3.32Å; W268-R270 VanDerWaalsContact C-N 3.34Å; R270-G274 VanDerWaalsContact O-CA 3.23Å; R270-G274 WeakPolarHBondContact O-CA 3.3Å; R270-G274 PolarHBondContact O-N 3.42Å
271A98.6Very high97.5Very high1 Ų127.6 Ų27.61%0.00813%0.128CC..Hα-helixtrans-64.8-46.7177.800000112.2V239 L242 I253 A267 W268 T269 V275V239-A271 HydrophobicContact CG2-CB 3.78Å; L242-A271 HydrophobicContact CD2-CB 3.6Å; I253-A271 VanDerWaalsContact CD1-C 3.49Å; I253-A271 HydrophobicContact CD1-CB 3.72Å; I253-A271 HydrophobicContact CG1-CB 4.17Å; I253-A271 HydrophobicContact CG2-CB 4.44Å; A267-A271 WeakPolarHBondContact O-CB 3.42Å; A267-A271 PolarHBondContact O-N 2.86Å; W268-A271 PolarHBondContact O-N 3.46Å; T269-A271 PolarHBondContact O-N 3.3Å; A271-V275 VanDerWaalsContact O-CB 3.25Å; A271-V275 WeakPolarHBondContact O-CB 2.84Å; A271-V275 WeakPolarHBondContact O-CG1 3.31Å; A271-V275 PolarHBondContact O-N 3.26Å
272L98.6Very high97.7Very high0 Ų025.3 Ų25.30%012%0.115CC..Hα-helixtrans-59.1-52179.817865.1000111.7R164 F166 L259 W268 T269 L282 V292 L295 L296R164-L272 PolarHBondContact NH1-O 2.85Å; R164-L272 VanDerWaalsContact NH1-O 3.13Å; R164-L272 PolarHBondContact NH2-O 3.17Å; F166-L272 HydrophobicContact CE1-CD1 3.84Å; L259-L272 HydrophobicContact CD1-CD2 4.19Å; L259-L272 HydrophobicContact CD2-CD2 4.31Å; W268-L272 VanDerWaalsContact O-CB 3.25Å; W268-L272 WeakPolarHBondContact O-CB 3.46Å; W268-L272 PolarHBondContact O-N 3.18Å; T269-L272 PolarHBondContact O-N 3.42Å; L272-L282 HydrophobicContact CD1-CD1 3.8Å; L272-L282 HydrophobicContact CD1-CD2 4Å; L272-V292 HydrophobicContact CD1-CG1 4.27Å; L272-V292 HydrophobicContact CD2-CG2 4.24Å; L272-L295 HydrophobicContact CD2-CB 4.48Å; L272-L295 HydrophobicContact CD2-CD1 3.93Å; L272-L296 HydrophobicContact CD1-CD1 4.1Å; L272-L296 HydrophobicContact CD1-CD2 4.31Å; L272-L296 HydrophobicContact CD1-CG 4.45Å; L272-L296 HydrophobicContact CG-CD2 4.29Å
273L98Very high97.9Very high0 Ų020 Ų200%09%0.088CC..Hα-helixtrans-80.2-31.4-175-60-178000112.4P152 Y156 R164 T269 L296 F510P152-L273 HydrophobicContact CB-CD1 4.03Å; P152-L273 HydrophobicContact CG-CD1 3.96Å; Y156-L273 HydrophobicContact CD2-CB 3.82Å; Y156-L273 HydrophobicContact CE2-CB 3.63Å; R164-L273 PolarHBondContact NH1-O 3.17Å; R164-L273 PolarHBondContact NH2-O 3.2Å; T269-L273 HydrophobicContact CG2-CD1 3.83Å; T269-L273 HydrophobicContact CG2-CG 4.36Å; T269-L273 WeakPolarHBondContact O-CB 3.41Å; T269-L273 WeakPolarHBondContact O-CG 3.5Å; T269-L273 PolarHBondContact O-N 2.87Å; L273-L296 HydrophobicContact CD2-CD2 4.2Å; L273-F510 HydrophobicContact CD1-CE1 4.46Å; L273-F510 HydrophobicContact CD1-CZ 4.46Å
274G97.8Very high98.1Very high0 Ų015.1 Ų15.10%07%0.065CC..Hα-helixtrans-110.9-9.9-165.500000117.4Y156 T244 R270 H276Y156-G274 VanDerWaalsContact CD1-CA 3.4Å; T244-G274 VanDerWaalsContact CB-O 3.28Å; T244-G274 WeakPolarHBondContact CB-O 3.44Å; T244-G274 WeakPolarHBondContact CG2-O 3.35Å; R270-G274 VanDerWaalsContact O-CA 3.23Å; R270-G274 WeakPolarHBondContact O-CA 3.3Å; R270-G274 PolarHBondContact O-N 3.42Å; G274-H276 PolarHBondContact O-N 3.47Å
275V98.5Very high98.1Very high0 Ų012.8 Ų12.80%06%0.057CC..  trans-62.8124.1177.569.90000111R164 V192 L242 A251 I253 A271 A277 V280R164-V275 WeakPolarHBondContact CD-O 3.41Å; R164-V275 PolarHBondContact NH1-O 3.05Å; V192-V275 HydrophobicContact CG1-CG2 4.12Å; L242-V275 HydrophobicContact CD1-CG2 4.11Å; L242-V275 HydrophobicContact CD2-CB 4.02Å; L242-V275 HydrophobicContact CD2-CG2 4.19Å; A251-V275 HydrophobicContact CB-CG1 4.22Å; A251-V275 HydrophobicContact CB-CG2 3.62Å; I253-V275 HydrophobicContact CD1-CG1 4.37Å; A271-V275 VanDerWaalsContact O-CB 3.25Å; A271-V275 WeakPolarHBondContact O-CB 2.84Å; A271-V275 WeakPolarHBondContact O-CG1 3.31Å; A271-V275 PolarHBondContact O-N 3.26Å; V275-A277 HydrophobicContact CG2-CB 4.12Å; V275-A277 PolarHBondContact O-N 3.19Å; V275-A277 VanDerWaalsContact O-N 3.17Å; V275-V280 HydrophobicContact CG1-CG1 4.13Å; V275-V280 HydrophobicContact CG1-CG2 3.79Å
276H98.3Very high97.9Very high23 Ų2315.3 Ų15.311%0.1067%0.073CC..  trans-87.577.2178.5-178.6-153.1000109.5E158 L162 T244 G245 H247 Y248 G274E158-H276 HydrophobicContact CB-CB 4.21Å; E158-H276 PolarHBondContact O-CD2 3.46Å; E158-H276 PolarHBondContact O-NE2 2.97Å; L162-H276 WeakPolarHBondContact CD1-CD2 3.46Å; T244-H276 WeakPolarHBondContact O-CB 3.38Å; G245-H276 PolarHBondContact O-ND1 3.21Å; H247-H276 CarbonylContact C-O 3.54Å; H247-H276 WeakPolarHBondContact CA-O 3.27Å; H247-H276 AromaticContact CD2-NE2 3.8Å; Y248-H276 PolarHBondContact N-O 2.86Å; G274-H276 PolarHBondContact O-N 3.47Å
277A98.5Very high97.9Very high0 Ų013.1 Ų13.10%07%0.069CC..EExtended strand (participates in β ladder)trans-139.3146.1-177.400000114R164 Y248 A251 V275 V280R164-A277 WeakPolarHBondContact CD-O 3.47Å; R164-A277 WeakPolarHBondContact CG-O 3.32Å; Y248-A277 WeakPolarHBondContact O-CA 3.38Å; Y248-A277 WeakPolarHBondContact O-CB 3.48Å; A251-A277 HydrophobicContact CB-CB 3.65Å; V275-A277 HydrophobicContact CG2-CB 4.12Å; V275-A277 PolarHBondContact O-N 3.19Å; V275-A277 VanDerWaalsContact O-N 3.17Å; A277-V280 HydrophobicContact CB-CG2 4.29Å
278D98.4Very high97.8Very high60 Ų6013 Ų1332%0.3217%0.068SC..EExtended strand (participates in β ladder)trans-68.8-45.7-177.8-55-38.7000112.4R164 K165 H247 Y248 H249R164-D278 WeakPolarHBondContact CA-O 3.46Å; K165-D278 PolarHBondContact N-O 2.98Å; H247-D278 IonicContact CE1-OD1 2.82Å; H247-D278 IonicContact CE1-OD2 3.6Å; H247-D278 PolarHBondContact CE1-OD2 3.45Å; H247-D278 IonicContact NE2-OD1 3.57Å; H247-D278 PolarHBondContact NE2-OD1 3.19Å; H247-D278 IonicContact NE2-OD2 2.78Å; H247-D278 PolarHBondContact NE2-OD2 2.95Å; Y248-D278 PolarHBondContact O-N 3.23Å; Y248-D278 VanDerWaalsContact O-N 3.11Å; H249-D278 IonicContact CD2-OD2 3.65Å
279E98.6Very high97.8Very high43 Ų4313.2 Ų13.220%0.2017%0.069CC..EExtended strand (participates in β ladder)trans-122.2126.2175.4-174.5164.414300110.8K165 I167 H249 V250 A251 H281K165-E279 HydrophobicContact CD-CG 4.39Å; K165-E279 WeakPolarHBondContact CD-OE2 3.23Å; K165-E279 WeakPolarHBondContact CE-OE2 3.48Å; K165-E279 IonicContact NZ-OE1 2.66Å; K165-E279 IonicContact NZ-OE2 2.78Å; K165-E279 PolarHBondContact NZ-OE2 2.99Å; K165-E279 CarbonylContact O-C 3.58Å; K165-E279 WeakPolarHBondContact O-CA 3.37Å; I167-E279 HydrophobicContact CD1-CG 4.28Å; I167-E279 WeakPolarHBondContact CD1-OE1 3.49Å; H249-E279 PolarHBondContact O-N 3.25Å; H249-E279 VanDerWaalsContact O-N 3.09Å; V250-E279 CarbonylContact C-O 3.51Å; V250-E279 WeakPolarHBondContact CA-O 3.4Å; V250-E279 HydrophobicContact CG2-CB 4.46Å; A251-E279 PolarHBondContact N-O 3.49Å; E279-H281 IonicContact OE1-CE1 3.35Å; E279-H281 PolarHBondContact OE1-CE1 3.08Å; E279-H281 VanDerWaalsContact OE1-CE1 3.25Å; E279-H281 IonicContact OE1-NE2 3.8Å; E279-H281 PolarHBondContact OE1-NE2 3.38Å
280V98.8Very high97.7Very high0 Ų018.2 Ų18.20%09%0.092CC..EExtended strand (participates in β ladder)trans-116.7116.9-177.6-172.90000110K165 F166 I167 A251 I253 V275 A277 L282K165-V280 PolarHBondContact O-N 3.35Å; F166-V280 WeakPolarHBondContact CA-O 3.34Å; F166-V280 HydrophobicContact CD1-CB 3.78Å; F166-V280 HydrophobicContact CD1-CG1 3.95Å; F166-V280 HydrophobicContact CE1-CB 3.58Å; F166-V280 HydrophobicContact CE1-CG1 3.5Å; F166-V280 VanDerWaalsContact CE1-CG1 3.5Å; F166-V280 HydrophobicContact CE1-CG2 4.08Å; F166-V280 HydrophobicContact CE2-CG2 4.42Å; F166-V280 HydrophobicContact CG-CB 4.37Å; F166-V280 HydrophobicContact CZ-CB 3.98Å; F166-V280 HydrophobicContact CZ-CG1 4.19Å; F166-V280 HydrophobicContact CZ-CG2 3.96Å; I167-V280 PolarHBondContact N-O 2.9Å; A251-V280 HydrophobicContact CB-CG1 4.43Å; A251-V280 HydrophobicContact CB-CG2 4.43Å; A251-V280 CarbonylContact O-C 3.52Å; A251-V280 WeakPolarHBondContact O-CA 3.45Å; I253-V280 HydrophobicContact CD1-CG1 4.08Å; V275-V280 HydrophobicContact CG1-CG1 4.13Å; V275-V280 HydrophobicContact CG1-CG2 3.79Å; A277-V280 HydrophobicContact CB-CG2 4.29Å; V280-L282 HydrophobicContact CG1-CD2 3.94Å
281H98.8Very high97.7Very high0 Ų015.5 Ų15.50%08%0.082CC..EExtended strand (participates in β ladder)trans-98120.9174.9-63.9-101.5000110.6I167 H169 A181 C184 A251 V252 I253 E279I167-H281 CarbonylContact O-C 3.52Å; I167-H281 WeakPolarHBondContact O-CA 3.43Å; H169-H281 AromaticContact CD2-ND1 3.84Å; H169-H281 AromaticContact CE1-ND1 3.9Å; H169-H281 AromaticContact NE2-CE1 3.92Å; H169-H281 AromaticContact NE2-CG 3.84Å; H169-H281 AromaticContact NE2-ND1 2.92Å; H169-H281 PolarHBondContact NE2-ND1 2.91Å; A181-H281 HydrophobicContact CB-CB 3.76Å; C184-H281 WeakPolarHBondContact CB-NE2 3.43Å; A251-H281 PolarHBondContact O-N 3.48Å; V252-H281 CarbonylContact C-O 3.58Å; V252-H281 WeakPolarHBondContact CA-O 3.14Å; V252-H281 HydrophobicContact CG2-CB 4.23Å; I253-H281 PolarHBondContact N-O 3.41Å; E279-H281 IonicContact OE1-CE1 3.35Å; E279-H281 PolarHBondContact OE1-CE1 3.08Å; E279-H281 VanDerWaalsContact OE1-CE1 3.25Å; E279-H281 IonicContact OE1-NE2 3.8Å; E279-H281 PolarHBondContact OE1-NE2 3.38Å
282L98.8Very high97.7Very high0 Ų015.4 Ų15.40%08%0.082CC..EExtended strand (participates in β ladder)trans-101.9124.1175.5-53.3176.7000108.7F166 I167 F168 H169 I253 V256 L272 V280 V292F166-L282 HydrophobicContact CD1-CD1 3.88Å; F166-L282 HydrophobicContact CD1-CD2 4.49Å; F166-L282 HydrophobicContact CD1-CG 4.15Å; F166-L282 HydrophobicContact CE1-CD1 4.33Å; F166-L282 HydrophobicContact CE1-CD2 4.41Å; I167-L282 PolarHBondContact O-N 2.89Å; F168-L282 CarbonylContact C-O 3.47Å; F168-L282 HydrophobicContact CD2-CB 4.04Å; F168-L282 HydrophobicContact CD2-CD1 3.94Å; F168-L282 HydrophobicContact CE2-CB 4.46Å; F168-L282 HydrophobicContact CG-CB 4.22Å; H169-L282 PolarHBondContact N-O 2.93Å; I253-L282 HydrophobicContact CB-CD2 3.84Å; I253-L282 HydrophobicContact CD1-CD2 3.83Å; I253-L282 HydrophobicContact CG1-CD2 4.24Å; V256-L282 HydrophobicContact CB-CB 4.46Å; V256-L282 HydrophobicContact CG1-CB 4.3Å; V256-L282 HydrophobicContact CG2-CD2 4.35Å; L272-L282 HydrophobicContact CD1-CD1 3.8Å; L272-L282 HydrophobicContact CD1-CD2 4Å; V280-L282 HydrophobicContact CG1-CD2 3.94Å; L282-V292 HydrophobicContact CD1-CG1 3.49Å; L282-V292 VanDerWaalsContact CD1-CG1 3.49Å; L282-V292 HydrophobicContact CD1-CG2 4.47Å
283C98.1Very high97.7Very high0 Ų019 Ų190%010%0.097CC..EExtended strand (participates in β ladder)trans-109.6127.5174.2-63.50000109.3A181 I253 D254 E255 V256A181-C283 VanDerWaalsContact CB-SG 3.58Å; I253-C283 PolarHBondContact O-N 3.43Å; D254-C283 VanDerWaalsContact OD1-CB 3.29Å; D254-C283 WeakPolarHBondContact OD1-CB 3.37Å; E255-C283 WeakPolarHBondContact CA-O 3.4Å; E255-C283 PolarHBondContact N-O 2.9Å; V256-C283 PolarHBondContact N-O 3.33Å
284G96.1Very high97.7Very high0 Ų022.8 Ų22.80%012%0.115CC..EExtended strand (participates in β ladder)trans177.7-168.8178.600000115.4H169 A170 G171H169-G284 PolarHBondContact O-N 2.89Å; A170-G284 WeakPolarHBondContact CA-O 3.43Å; G171-G284 PolarHBondContact N-O 2.98Å
285E94.3Very high97.6Very high16 Ų1623 Ų238%0.07512%0.116CC..  trans-79147.4179.788.6-168165.400111.7Q257 R260 A287 A288 S425 I468Q257-E285 HydrophobicContact CB-CB 4.41Å; Q257-E285 HydrophobicContact CB-CG 3.63Å; Q257-E285 HydrophobicContact CG-CB 4.38Å; Q257-E285 HydrophobicContact CG-CG 3.93Å; Q257-E285 VanDerWaalsContact OE1-N 3.15Å; R260-E285 IonicContact CZ-OE1 3.77Å; R260-E285 VanDerWaalsContact CZ-OE1 3.31Å; R260-E285 IonicContact NH1-OE1 3.97Å; R260-E285 PolarHBondContact NH1-OE1 3.24Å; R260-E285 IonicContact NH2-OE1 3.62Å; R260-E285 PolarHBondContact NH2-OE1 3.07Å; E285-A287 HydrophobicContact CG-CB 3.9Å; E285-A287 PolarHBondContact O-N 2.99Å; E285-A287 VanDerWaalsContact O-N 3.09Å; E285-A288 PolarHBondContact O-N 3.41Å; E285-S425 PolarHBondContact OE2-OG 2.89Å; E285-I468 WeakPolarHBondContact OE1-CD1 3.16Å
286P95.3Very high97.6Very high53 Ų5323 Ų2334%0.34412%0.116SC..G310 helixtrans-57-26-179.5-26.534.6000114.9A170 A288 V289A170-P286 HydrophobicContact CB-CB 4.47Å; A170-P286 HydrophobicContact CB-CG 4.28Å; P286-A288 PolarHBondContact O-N 3.12Å; P286-A288 VanDerWaalsContact O-N 3.14Å; P286-V289 WeakPolarHBondContact O-CB 3.5Å; P286-V289 VanDerWaalsContact O-CG2 3.3Å; P286-V289 WeakPolarHBondContact O-CG2 3.13Å; P286-V289 PolarHBondContact O-N 3.28Å; P286-V289 VanDerWaalsContact O-N 3.09Å
287A95.8Very high97.4Very high17 Ų1729 Ų2914%0.1414%0.144CC..G310 helixtrans-64.8-15.1-179.800000114.3E285 P465 E466 I468E285-A287 HydrophobicContact CG-CB 3.9Å; E285-A287 PolarHBondContact O-N 2.99Å; E285-A287 VanDerWaalsContact O-N 3.09Å; A287-P465 HydrophobicContact CB-CB 4.06Å; A287-E466 WeakPolarHBondContact CB-O 3.41Å; A287-I468 HydrophobicContact CB-CG1 4.37Å; A287-I468 PolarHBondContact O-N 3.27Å
288A97.6Very high97.2Very high0 Ų033 Ų330%017%0.17CC..G310 helixtrans-90.4-8.6175.500000113.9F168 V256 Q257 E285 P286 E290 V292 I468F168-A288 HydrophobicContact CE2-CB 4.33Å; F168-A288 HydrophobicContact CZ-CB 4.07Å; V256-A288 HydrophobicContact CG1-CB 4.33Å; Q257-A288 HydrophobicContact CB-CB 4.05Å; E285-A288 PolarHBondContact O-N 3.41Å; P286-A288 PolarHBondContact O-N 3.12Å; P286-A288 VanDerWaalsContact O-N 3.14Å; A288-E290 PolarHBondContact O-N 3.14Å; A288-V292 WeakPolarHBondContact O-CB 3.37Å; A288-V292 VanDerWaalsContact O-CG2 3.29Å; A288-V292 WeakPolarHBondContact O-CG2 3.44Å; A288-V292 PolarHBondContact O-N 2.86Å; A288-V292 VanDerWaalsContact O-N 3.09Å; A288-I468 HydrophobicContact CB-CD1 3.91Å
289V97.8Very high96.9Very high3 Ų331.4 Ų31.42%0.01816%0.162CC..Hα-helixtrans-63.4-46.2-170.81710000112.2F168 A170 P286 V292 K293 V305F168-V289 HydrophobicContact CD1-CG2 3.89Å; F168-V289 HydrophobicContact CD2-CG2 4.19Å; F168-V289 HydrophobicContact CE1-CG2 3.73Å; F168-V289 HydrophobicContact CE2-CG2 4Å; F168-V289 HydrophobicContact CG-CG2 4.15Å; F168-V289 HydrophobicContact CZ-CG2 3.78Å; A170-V289 HydrophobicContact CB-CG2 3.94Å; P286-V289 WeakPolarHBondContact O-CB 3.5Å; P286-V289 VanDerWaalsContact O-CG2 3.3Å; P286-V289 WeakPolarHBondContact O-CG2 3.13Å; P286-V289 PolarHBondContact O-N 3.28Å; P286-V289 VanDerWaalsContact O-N 3.09Å; V289-V292 PolarHBondContact O-N 3.39Å; V289-K293 HydrophobicContact CG1-CD 4.34Å; V289-K293 WeakPolarHBondContact O-CG 3.3Å; V289-K293 PolarHBondContact O-N 3.43Å; V289-K293 VanDerWaalsContact O-N 3.09Å; V289-V305 HydrophobicContact CG1-CB 4.48Å; V289-V305 HydrophobicContact CG1-CG1 4.07Å; V289-V305 HydrophobicContact CG1-CG2 3.59Å; V289-V305 HydrophobicContact CG2-CG1 4.14Å
290E97.7Very high96.7Very high107 Ų10735.1 Ų35.150%0.518%0.183SC..Hα-helixtrans-69-47.6-175-62.5-51118.200111.6A288 V292 K293 E294A288-E290 PolarHBondContact O-N 3.14Å; E290-V292 VanDerWaalsContact C-N 3.29Å; E290-V292 PolarHBondContact O-N 2.89Å; E290-K293 WeakPolarHBondContact O-CB 3.44Å; E290-K293 PolarHBondContact O-N 3.03Å; E290-K293 IonicContact OE1-NZ 2.94Å; E290-K293 PolarHBondContact OE1-NZ 3.45Å; E290-K293 IonicContact OE2-NZ 2.6Å; E290-E294 WeakPolarHBondContact O-CG 3.36Å; E290-E294 PolarHBondContact O-N 3.38Å
291L98.1Very high96.6Very high2 Ų235.5 Ų35.51%0.0119%0.185CC..Hα-helixtrans-56.8-42.9173.3173.566.2000112.2K293 E294 L295 I468 N469 K470 A471 H509L291-K293 VanDerWaalsContact C-N 3.29Å; L291-K293 PolarHBondContact O-N 3.44Å; L291-E294 PolarHBondContact O-N 3.39Å; L291-L295 HydrophobicContact CD1-CD1 3.94Å; L291-L295 HydrophobicContact CD1-CD2 4.12Å; L291-L295 HydrophobicContact CD1-CG 3.75Å; L291-L295 HydrophobicContact CD2-CD1 4.36Å; L291-L295 HydrophobicContact CG-CD1 3.83Å; L291-L295 HydrophobicContact CG-CG 4.06Å; L291-L295 WeakPolarHBondContact O-CB 3.41Å; L291-L295 VanDerWaalsContact O-CG 3.22Å; L291-L295 WeakPolarHBondContact O-CG 3.47Å; L291-L295 PolarHBondContact O-N 2.95Å; L291-I468 WeakPolarHBondContact CB-O 3.4Å; L291-I468 HydrophobicContact CD2-CG2 3.69Å; L291-N469 WeakPolarHBondContact CD1-O 3.43Å; L291-K470 VanDerWaalsContact CD2-C 3.46Å; L291-A471 HydrophobicContact CD2-CB 4.26Å; L291-H509 HydrophobicContact CD1-CB 4.44Å
292V98.5Very high96.3Very high0 Ų041.7 Ų41.70%022%0.217CC..Hα-helixtrans-61.3-39.4178.5165.30000111.6F168 V256 L259 L272 L282 A288 V289 E290 L296 V303F168-V292 HydrophobicContact CD2-CB 4.31Å; F168-V292 HydrophobicContact CD2-CG1 4.12Å; F168-V292 HydrophobicContact CD2-CG2 4.47Å; F168-V292 HydrophobicContact CE2-CB 4.18Å; F168-V292 HydrophobicContact CE2-CG1 4.42Å; F168-V292 HydrophobicContact CE2-CG2 3.96Å; V256-V292 HydrophobicContact CG2-CG2 4.15Å; L259-V292 HydrophobicContact CD1-CG2 3.83Å; L272-V292 HydrophobicContact CD1-CG1 4.27Å; L272-V292 HydrophobicContact CD2-CG2 4.24Å; L282-V292 HydrophobicContact CD1-CG1 3.49Å; L282-V292 VanDerWaalsContact CD1-CG1 3.49Å; L282-V292 HydrophobicContact CD1-CG2 4.47Å; A288-V292 WeakPolarHBondContact O-CB 3.37Å; A288-V292 VanDerWaalsContact O-CG2 3.29Å; A288-V292 WeakPolarHBondContact O-CG2 3.44Å; A288-V292 PolarHBondContact O-N 2.86Å; A288-V292 VanDerWaalsContact O-N 3.09Å; V289-V292 PolarHBondContact O-N 3.39Å; E290-V292 VanDerWaalsContact C-N 3.29Å; E290-V292 PolarHBondContact O-N 2.89Å; V292-L296 HydrophobicContact CG1-CD1 3.96Å; V292-L296 WeakPolarHBondContact O-CB 3.47Å; V292-L296 VanDerWaalsContact O-CG 3.28Å; V292-L296 WeakPolarHBondContact O-CG 3.34Å; V292-L296 PolarHBondContact O-N 3.43Å; V292-V303 HydrophobicContact CG1-CG1 4.49Å; V292-V303 HydrophobicContact CG1-CG2 4.11Å
293K98.2Very high96.3Very high74 Ų7442.7 Ų42.732%0.32222%0.224SC..Hα-helixtrans-64.4-46.2173.8-69.1168.9-178.8166.70111.3V289 E290 L291 L295 L296 Q297 V303V289-K293 HydrophobicContact CG1-CD 4.34Å; V289-K293 WeakPolarHBondContact O-CG 3.3Å; V289-K293 PolarHBondContact O-N 3.43Å; V289-K293 VanDerWaalsContact O-N 3.09Å; E290-K293 WeakPolarHBondContact O-CB 3.44Å; E290-K293 PolarHBondContact O-N 3.03Å; E290-K293 IonicContact OE1-NZ 2.94Å; E290-K293 PolarHBondContact OE1-NZ 3.45Å; E290-K293 IonicContact OE2-NZ 2.6Å; L291-K293 VanDerWaalsContact C-N 3.29Å; L291-K293 PolarHBondContact O-N 3.44Å; K293-L295 VanDerWaalsContact C-N 3.31Å; K293-L295 PolarHBondContact O-N 3.13Å; K293-L296 PolarHBondContact O-N 3.01Å; K293-Q297 VanDerWaalsContact O-CB 3.29Å; K293-Q297 WeakPolarHBondContact O-CB 3.33Å; K293-Q297 PolarHBondContact O-N 3.43Å; K293-V303 HydrophobicContact CG-CB 4.14Å; K293-V303 HydrophobicContact CG-CG2 4.29Å
294E97Very high96.3Very high80 Ų8046.9 Ų46.937%0.37425%0.246SC..Hα-helixtrans-60.3-39.9179.5-70.9169.6173.600112E290 L291 P298 H509E290-E294 WeakPolarHBondContact O-CG 3.36Å; E290-E294 PolarHBondContact O-N 3.38Å; L291-E294 PolarHBondContact O-N 3.39Å; E294-P298 WeakPolarHBondContact O-CD 3.17Å; E294-H509 IonicContact OE2-CD2 3.24Å; E294-H509 IonicContact OE2-NE2 3.45Å
295L97.5Very high96.4Very high6 Ų648.8 Ų48.83%0.03126%0.258CS..Hα-helixtrans-69.6-31.1178.1-69.8179.6000113.6L272 L291 K293 A471 H509 F510L272-L295 HydrophobicContact CD2-CB 4.48Å; L272-L295 HydrophobicContact CD2-CD1 3.93Å; L291-L295 HydrophobicContact CD1-CD1 3.94Å; L291-L295 HydrophobicContact CD1-CD2 4.12Å; L291-L295 HydrophobicContact CD1-CG 3.75Å; L291-L295 HydrophobicContact CD2-CD1 4.36Å; L291-L295 HydrophobicContact CG-CD1 3.83Å; L291-L295 HydrophobicContact CG-CG 4.06Å; L291-L295 WeakPolarHBondContact O-CB 3.41Å; L291-L295 VanDerWaalsContact O-CG 3.22Å; L291-L295 WeakPolarHBondContact O-CG 3.47Å; L291-L295 PolarHBondContact O-N 2.95Å; K293-L295 VanDerWaalsContact C-N 3.31Å; K293-L295 PolarHBondContact O-N 3.13Å; L295-A471 HydrophobicContact CD1-CB 3.79Å; L295-H509 HydrophobicContact CD2-CB 3.86Å; L295-F510 HydrophobicContact CD2-CD1 4.45Å; L295-F510 HydrophobicContact CD2-CE1 3.63Å; L295-F510 HydrophobicContact CD2-CE2 3.81Å; L295-F510 HydrophobicContact CD2-CZ 3.27Å
296L97.1Very high96.6Very high0 Ų052.3 Ų52.30%027%0.27CS..Hα-helixtrans-94.9-19-177.2-65.3179.5000113.1F166 L272 L273 V292 K293 I299 D300 E301 V303F166-L296 HydrophobicContact CB-CD1 4.49Å; F166-L296 HydrophobicContact CD1-CD1 3.69Å; F166-L296 HydrophobicContact CD2-CD1 3.91Å; F166-L296 HydrophobicContact CE1-CD1 3.79Å; F166-L296 HydrophobicContact CE2-CD1 4.02Å; F166-L296 HydrophobicContact CE2-CD2 4.32Å; F166-L296 HydrophobicContact CG-CD1 3.75Å; F166-L296 HydrophobicContact CZ-CD1 3.95Å; F166-L296 HydrophobicContact CZ-CD2 4.12Å; L272-L296 HydrophobicContact CD1-CD1 4.1Å; L272-L296 HydrophobicContact CD1-CD2 4.31Å; L272-L296 HydrophobicContact CD1-CG 4.45Å; L272-L296 HydrophobicContact CG-CD2 4.29Å; L273-L296 HydrophobicContact CD2-CD2 4.2Å; V292-L296 HydrophobicContact CG1-CD1 3.96Å; V292-L296 WeakPolarHBondContact O-CB 3.47Å; V292-L296 VanDerWaalsContact O-CG 3.28Å; V292-L296 WeakPolarHBondContact O-CG 3.34Å; V292-L296 PolarHBondContact O-N 3.43Å; K293-L296 PolarHBondContact O-N 3.01Å; L296-I299 HydrophobicContact CD2-CD1 4Å; L296-I299 WeakPolarHBondContact O-CG1 3.28Å; L296-I299 PolarHBondContact O-N 3.34Å; L296-D300 PolarHBondContact O-N 3.18Å; L296-E301 HydrophobicContact CB-CB 4.07Å; L296-E301 WeakPolarHBondContact CB-O 3.01Å; L296-E301 PolarHBondContact O-N 3.45Å; L296-V303 HydrophobicContact CB-CG2 4.48Å; L296-V303 HydrophobicContact CD1-CG2 3.57Å
297Q94.8Very high96.7Very high148 Ų14856 Ų5669%0.69229%0.285SS*.G310 helixtrans-58.6-43.3179.2178.4-172.8-23.500113.7K293 I299 D300K293-Q297 VanDerWaalsContact O-CB 3.29Å; K293-Q297 WeakPolarHBondContact O-CB 3.33Å; K293-Q297 PolarHBondContact O-N 3.43Å; Q297-I299 PolarHBondContact O-N 3.04Å; Q297-I299 VanDerWaalsContact O-N 3.08Å; Q297-D300 PolarHBondContact O-N 2.84Å
298P93Very high96.7Very high85 Ų8557.8 Ų57.855%0.55229%0.288SS*.G310 helixtrans-61.6-17.5179.7-25.935.1000114.8E294E294-P298 WeakPolarHBondContact O-CD 3.17Å
299I93.2Very high96.4Very high26 Ų2666.1 Ų66.113%0.13333%0.327CS..G310 helixtrans-110.515.3179.155.6179000112.9Q153 L296 Q297 E301Q153-I299 HydrophobicContact CB-CD1 4.27Å; Q153-I299 HydrophobicContact CB-CG2 3.69Å; Q153-I299 HydrophobicContact CG-CG2 3.59Å; L296-I299 HydrophobicContact CD2-CD1 4Å; L296-I299 WeakPolarHBondContact O-CG1 3.28Å; L296-I299 PolarHBondContact O-N 3.34Å; Q297-I299 PolarHBondContact O-N 3.04Å; Q297-I299 VanDerWaalsContact O-N 3.08Å; I299-E301 HydrophobicContact CD1-CG 4.32Å; I299-E301 VanDerWaalsContact CD1-OE2 3.24Å; I299-E301 WeakPolarHBondContact CD1-OE2 3.28Å; I299-E301 HydrophobicContact CG1-CB 4.25Å; I299-E301 HydrophobicContact CG1-CG 4.13Å; I299-E301 PolarHBondContact O-N 3.03Å
300D94.5Very high96Very high121 Ų12168.2 Ų68.265%0.64734%0.335SS*.THydrogen-bonded Turntrans56.432.7177.6-162.328.3000114.1L296 Q297L296-D300 PolarHBondContact O-N 3.18Å; Q297-D300 PolarHBondContact O-N 2.84Å
301E95.6Very high95.4Very high8 Ų867.5 Ų67.54%0.03733%0.332CS..  trans-100.2103.2177.3-72.9-175.3157.700110.8R160 R164 F166 L296 I299R160-E301 IonicContact CZ-OE1 3.81Å; R160-E301 VanDerWaalsContact CZ-OE1 3.22Å; R160-E301 IonicContact CZ-OE2 3.62Å; R160-E301 VanDerWaalsContact NH1-CD 3.27Å; R160-E301 IonicContact NH1-OE1 3.25Å; R160-E301 PolarHBondContact NH1-OE1 3.21Å; R160-E301 IonicContact NH1-OE2 3.79Å; R160-E301 VanDerWaalsContact NH2-CD 3.33Å; R160-E301 IonicContact NH2-OE1 3.05Å; R160-E301 PolarHBondContact NH2-OE1 3.06Å; R160-E301 IonicContact NH2-OE2 2.56Å; R160-E301 PolarHBondContact NH2-OE2 2.93Å; R164-E301 WeakPolarHBondContact CB-OE1 3.22Å; R164-E301 WeakPolarHBondContact CG-OE1 3.24Å; R164-E301 IonicContact CZ-OE1 3.65Å; R164-E301 IonicContact CZ-OE2 2.85Å; R164-E301 IonicContact NE-OE1 3.66Å; R164-E301 PolarHBondContact NE-OE1 3.11Å; R164-E301 IonicContact NE-OE2 2.72Å; R164-E301 PolarHBondContact NE-OE2 3.17Å; R164-E301 IonicContact NH2-OE1 2.7Å; R164-E301 IonicContact NH2-OE2 3.86Å; R164-E301 PolarHBondContact NH2-OE2 3.21Å; F166-E301 HydrophobicContact CD2-CB 4.12Å; F166-E301 HydrophobicContact CE2-CB 4.16Å; F166-E301 HydrophobicContact CE2-CG 4.37Å; F166-E301 WeakPolarHBondContact CE2-OE2 3.33Å; L296-E301 HydrophobicContact CB-CB 4.07Å; L296-E301 WeakPolarHBondContact CB-O 3.01Å; L296-E301 PolarHBondContact O-N 3.45Å; I299-E301 HydrophobicContact CD1-CG 4.32Å; I299-E301 VanDerWaalsContact CD1-OE2 3.24Å; I299-E301 WeakPolarHBondContact CD1-OE2 3.28Å; I299-E301 HydrophobicContact CG1-CB 4.25Å; I299-E301 HydrophobicContact CG1-CG 4.13Å; I299-E301 PolarHBondContact O-N 3.03Å
302N94.3Very high94.9Very high129 Ų12968 Ų6869%0.6934%0.335SS*.  trans-80.4137.8-177.5-72.2-71000112.5
303V98Very high94.5Very high22 Ų2271.5 Ų71.513%0.13336%0.358CS..EExtended strand (participates in β ladder)trans-104.4113.8-177.1-174.20000110.9F166 F168 V292 K293 L296 V305F166-V303 HydrophobicContact CB-CB 4.35Å; F166-V303 HydrophobicContact CB-CG1 4.36Å; F166-V303 HydrophobicContact CB-CG2 4.07Å; F168-V303 HydrophobicContact CB-CG1 3.67Å; F168-V303 HydrophobicContact CD2-CG1 4.46Å; V292-V303 HydrophobicContact CG1-CG1 4.49Å; V292-V303 HydrophobicContact CG1-CG2 4.11Å; K293-V303 HydrophobicContact CG-CB 4.14Å; K293-V303 HydrophobicContact CG-CG2 4.29Å; L296-V303 HydrophobicContact CB-CG2 4.48Å; L296-V303 HydrophobicContact CD1-CG2 3.57Å; V303-V305 HydrophobicContact CG1-CG2 4.15Å; V303-V305 PolarHBondContact O-N 2.8Å
304N98.2Very high94.3Very high87 Ų8770.8 Ų70.847%0.46536%0.358SS..EExtended strand (participates in β ladder)trans-81.7106.5171.8-174.6-33.1000110.2F166 I167 F168F166-N304 WeakPolarHBondContact O-CB 3.23Å; F166-N304 PolarHBondContact O-N 3.23Å; I167-N304 CarbonylContact C-O 3.54Å; I167-N304 WeakPolarHBondContact CA-O 3.26Å; F168-N304 PolarHBondContact N-O 3.26Å
305V98.3Very high94.2Very high41 Ų4170.9 Ų70.925%0.24836%0.358CS..EExtended strand (participates in β ladder)trans-89.7125.7-177.6-172.40000111F168 A170 V289 V303 M307F168-V305 HydrophobicContact CB-CG2 4.3Å; A170-V305 HydrophobicContact CB-CG1 4.26Å; V289-V305 HydrophobicContact CG1-CB 4.48Å; V289-V305 HydrophobicContact CG1-CG1 4.07Å; V289-V305 HydrophobicContact CG1-CG2 3.59Å; V289-V305 HydrophobicContact CG2-CG1 4.14Å; V303-V305 HydrophobicContact CG1-CG2 4.15Å; V303-V305 PolarHBondContact O-N 2.8Å; V305-M307 HydrophobicContact CG1-CE 3.73Å; V305-M307 HydrophobicContact CG1-SD 4.14Å
306R98Very high94.1Very high90 Ų9072.6 Ų72.634%0.3437%0.369SS..EExtended strand (participates in β ladder)trans-114.2116.9172.4-64-178.7-177.5171.93.2108.9I167 F168 A170 Y308I167-R306 HydrophobicContact CG2-CG 4.36Å; F168-R306 PolarHBondContact O-N 3.39Å; A170-R306 PolarHBondContact N-O 3.22Å; R306-Y308 HydrophobicContact CB-CE2 3.66Å; R306-Y308 VanDerWaalsContact O-CD2 3.26Å; R306-Y308 WeakPolarHBondContact O-CD2 3.34Å; R306-Y308 WeakPolarHBondContact O-CE2 3.29Å
307M97Very high94.1Very high131 Ų13174.4 Ų74.465%0.64538%0.377SS*.EExtended strand (participates in β ladder)trans-86.1136.3177.2-62.4-63.2-175.700110.5A170 V305A170-M307 HydrophobicContact CB-SD 3.57Å; A170-M307 VanDerWaalsContact CB-SD 3.57Å; A170-M307 CarbonylContact O-C 3.59Å; A170-M307 WeakPolarHBondContact O-CA 3.48Å; V305-M307 HydrophobicContact CG1-CE 3.73Å; V305-M307 HydrophobicContact CG1-SD 4.14Å
308Y95.3Very high94.1Very high54 Ų5473 Ų7321%0.21238%0.375CS..  trans-123.9139.4178.4-64.8-104.1000109.8H169 A170 G171 P172 K177 R306H169-Y308 HydrophobicContact CB-CD2 4.33Å; H169-Y308 HydrophobicContact CB-CE2 3.75Å; H169-Y308 AromaticContact ND1-CE2 3.61Å; H169-Y308 AromaticContact ND1-CZ 3.5Å; H169-Y308 PolarHBondContact ND1-OH 3.41Å; A170-Y308 PolarHBondContact O-N 3.2Å; G171-Y308 WeakPolarHBondContact CA-O 3.5Å; P172-Y308 WeakPolarHBondContact CD-O 3.47Å; K177-Y308 HydrophobicContact CB-CD2 4.19Å; K177-Y308 HydrophobicContact CB-CG 4.23Å; R306-Y308 HydrophobicContact CB-CE2 3.66Å; R306-Y308 VanDerWaalsContact O-CD2 3.26Å; R306-Y308 WeakPolarHBondContact O-CD2 3.34Å; R306-Y308 WeakPolarHBondContact O-CE2 3.29Å
309E92.1Very high94.2Very high174 Ų17474.7 Ų74.781%0.81338%0.375SS*.  trans-100.7165.2172.2-64.9-174.8172.600110.8S175S175-E309 VanDerWaalsContact CA-O 3.32Å; S175-E309 WeakPolarHBondContact CA-O 3.49Å; S175-E309 WeakPolarHBondContact CB-O 3.49Å
310R89.1Confident94.3Very high48 Ų4873.8 Ų73.818%0.18137%0.371CS..  trans-70.9135.7178-164.4166.7169-97.511110P172 N174 T312 P313 L314 A434 G435P172-R310 HydrophobicContact CG-CB 4.08Å; N174-R310 HydrophobicContact CB-CG 4.23Å; R310-T312 VanDerWaalsContact C-N 3.3Å; R310-T312 WeakPolarHBondContact CG-O 3.32Å; R310-T312 VanDerWaalsContact CZ-OG1 3.31Å; R310-T312 PolarHBondContact NH1-O 2.66Å; R310-T312 PolarHBondContact NH1-OG1 3.24Å; R310-T312 PolarHBondContact O-N 3.1Å; R310-P313 PolarHBondContact NH1-O 3.15Å; R310-L314 VanDerWaalsContact NH1-CB 3.28Å; R310-A434 PolarHBondContact NH2-O 3.31Å; R310-G435 PolarHBondContact NH2-O 3.31Å
311M86.6Confident94.4Very high92 Ų9268.6 Ų68.645%0.45334%0.343SS..SBendtrans-77.4-16.5-177.5-64.2-178.1-65.400113.6N174 Y437N174-M311 PolarHBondContact O-N 3.48Å; M311-Y437 HydrophobicContact CB-CD2 4.27Å; M311-Y437 HydrophobicContact CB-CG 4.41Å; M311-Y437 HydrophobicContact CE-CG 4.4Å; M311-Y437 HydrophobicContact SD-CG 4.45Å
312T86.3Confident94.3Very high11 Ų1173.9 Ų73.97%0.06737%0.368CS..SBendtrans-121.8154.4175.255.70000110.1N174 R310 G435 S442N174-T312 PolarHBondContact ND2-OG1 2.78Å; R310-T312 VanDerWaalsContact C-N 3.3Å; R310-T312 WeakPolarHBondContact CG-O 3.32Å; R310-T312 VanDerWaalsContact CZ-OG1 3.31Å; R310-T312 PolarHBondContact NH1-O 2.66Å; R310-T312 PolarHBondContact NH1-OG1 3.24Å; R310-T312 PolarHBondContact O-N 3.1Å; T312-G435 PolarHBondContact OG1-O 2.86Å; T312-S442 VanDerWaalsContact CB-O 3.23Å; T312-S442 WeakPolarHBondContact CB-O 3.28Å; T312-S442 WeakPolarHBondContact CG2-O 3.29Å
313P90.5Very high94.3Very high75 Ų7570.2 Ų70.249%0.48735%0.352SS..  trans-72.9143.6171.127.5-35000112.7R310 S442 H443 G444R310-P313 PolarHBondContact NH1-O 3.15Å; P313-S442 WeakPolarHBondContact CD-O 3.48Å; P313-H443 VanDerWaalsContact CG-ND1 3.33Å; P313-H443 WeakPolarHBondContact CG-ND1 3.32Å; P313-G444 PolarHBondContact O-N 3.32Å; P313-G444 VanDerWaalsContact O-N 3.09Å
314L92.9Very high94.1Very high59 Ų5970 Ų7031%0.30935%0.35SS..EExtended strand (participates in β ladder)trans-118.2113.7174-175.964.1000107.4R310 A431 A434 G444 V446R310-L314 VanDerWaalsContact NH1-CB 3.28Å; L314-A431 HydrophobicContact CD2-CB 4.28Å; L314-A434 HydrophobicContact CD1-CB 3.88Å; L314-G444 CarbonylContact C-O 3.57Å; L314-G444 WeakPolarHBondContact CA-O 3.47Å; L314-V446 HydrophobicContact CD1-CB 4.38Å; L314-V446 HydrophobicContact CD1-CG1 4.33Å; L314-V446 HydrophobicContact CG-CG1 4.36Å
315E94.9Very high93.9Very high81 Ų8169.4 Ų69.438%0.37935%0.353SS..EExtended strand (participates in β ladder)trans-103123.5179.1-176.4-172.5-172.900110.4H443 G444 Q445 V446E315-H443 WeakPolarHBondContact CB-NE2 2.86Å; E315-H443 IonicContact OE2-CD2 3.02Å; E315-H443 IonicContact OE2-CE1 2.7Å; E315-H443 IonicContact OE2-NE2 2.73Å; E315-H443 PolarHBondContact OE2-NE2 2.74Å; E315-G444 PolarHBondContact N-O 2.82Å; E315-Q445 CarbonylContact O-C 3.6Å; E315-Q445 WeakPolarHBondContact O-CA 3.46Å; E315-Q445 PolarHBondContact OE2-NE2 3.18Å; E315-V446 PolarHBondContact O-N 3.02Å
316V96.2Very high93.8Very high42 Ų4269.2 Ų69.226%0.25536%0.356SS..EExtended strand (participates in β ladder)trans-81.5117.3167-169.50000108V446 L457 K458 L461V316-V446 WeakPolarHBondContact CA-O 3.45Å; V316-V446 HydrophobicContact CB-CG1 4.12Å; V316-V446 HydrophobicContact CG1-CG1 4.23Å; V316-V446 HydrophobicContact CG2-CG1 3.74Å; V316-L457 HydrophobicContact CG1-CD2 4.36Å; V316-K458 HydrophobicContact CG1-CG 3.72Å; V316-L461 HydrophobicContact CG2-CB 4.36Å; V316-L461 HydrophobicContact CG2-CD1 3.63Å
317M96.8Very high93.7Very high38 Ų3865.3 Ų65.319%0.18734%0.342CS..PPolyproline II helixtrans-62.5150.5-178.6-64.6178.55900111.3R400 Q445 V446 T447 K458M317-R400 VanDerWaalsContact SD-CD 3.52Å; M317-R400 HydrophobicContact SD-CG 4.39Å; M317-Q445 HydrophobicContact CG-CB 4.33Å; M317-Q445 HydrophobicContact SD-CB 4.43Å; M317-V446 PolarHBondContact N-O 3.4Å; M317-T447 HydrophobicContact SD-CG2 3.7Å; M317-K458 VanDerWaalsContact O-CE 3.31Å; M317-K458 WeakPolarHBondContact O-CE 3.34Å
318N95Very high93.7Very high119 Ų11963.3 Ų63.364%0.63633%0.331SS*.SBendtrans-75.2-28.7178.9-76.1-41.7000113.6L454 K458N318-L454 WeakPolarHBondContact O-CD2 3.38Å; N318-K458 PolarHBondContact O-NZ 3.38Å
319E95.4Very high93.6Very high121 Ų12164.4 Ų64.457%0.56535%0.345SS*.SBendtrans-121148.1-179.2-65-58.915100111.1T447E319-T447 PolarHBondContact O-OG1 2.86Å
320P95.7Very high93.7Very high7 Ų756.5 Ų56.55%0.04531%0.31CS..  trans-71.8167.3169.537.8-38.8000109.5H322 T447 T448 S451P320-H322 VanDerWaalsContact C-N 3.25Å; P320-H322 WeakPolarHBondContact CG-CE1 3.29Å; P320-H322 PolarHBondContact O-CD2 3.1Å; P320-H322 VanDerWaalsContact O-CD2 3.29Å; P320-H322 PolarHBondContact O-N 3.43Å; P320-T447 WeakPolarHBondContact CA-OG1 3.36Å; P320-T448 VanDerWaalsContact CA-O 3.31Å; P320-T448 WeakPolarHBondContact CA-O 3.43Å; P320-T448 VanDerWaalsContact CB-O 3.25Å; P320-T448 WeakPolarHBondContact CB-O 3.46Å; P320-S451 WeakPolarHBondContact CG-OG 3.09Å
321I96.1Very high94.1Very high12 Ų1254.2 Ų54.26%0.06230%0.301CS..  trans-78-12.2175.363.5161.1000113.2S323 A326 V327 I402 T447 T448 L449I321-S323 PolarHBondContact O-N 3.11Å; I321-A326 HydrophobicContact CB-CB 4.13Å; I321-A326 WeakPolarHBondContact O-CB 3.35Å; I321-V327 HydrophobicContact CD1-CG2 4.16Å; I321-I402 HydrophobicContact CD1-CD1 3.8Å; I321-I402 HydrophobicContact CD1-CG1 4.34Å; I321-I402 HydrophobicContact CD1-CG2 3.87Å; I321-I402 HydrophobicContact CG1-CG2 4.14Å; I321-T447 HydrophobicContact CG2-CG2 3.75Å; I321-T448 PolarHBondContact N-O 3.21Å; I321-L449 HydrophobicContact CD1-CD1 3.72Å; I321-L449 HydrophobicContact CG1-CD1 3.81Å
322H92.8Very high94.7Very high118 Ų11849.9 Ų49.955%0.54628%0.28SS..  trans62.6-37179.6-60-76.4000116.9P320 L449 S451P320-H322 VanDerWaalsContact C-N 3.25Å; P320-H322 WeakPolarHBondContact CG-CE1 3.29Å; P320-H322 PolarHBondContact O-CD2 3.1Å; P320-H322 VanDerWaalsContact O-CD2 3.29Å; P320-H322 PolarHBondContact O-N 3.43Å; H322-L449 CarbonylContact C-O 3.49Å; H322-L449 VanDerWaalsContact CA-O 3.25Å; H322-L449 WeakPolarHBondContact CA-O 3.45Å; H322-L449 PolarHBondContact N-O 3.32Å; H322-L449 VanDerWaalsContact N-O 3.11Å; H322-S451 PolarHBondContact CE1-OG 3.19Å; H322-S451 PolarHBondContact ND1-OG 3.46Å
323S94.5Very high95.2Very high52 Ų5249.4 Ų49.436%0.36428%0.277SS..SBendtrans-144.3153.2-174.2179.60000110.6I321 S325 A326I321-S323 PolarHBondContact O-N 3.11Å; S323-S325 WeakPolarHBondContact CB-OG 3.25Å; S323-S325 PolarHBondContact O-N 3.03Å; S323-S325 PolarHBondContact OG-N 2.78Å; S323-S325 PolarHBondContact OG-OG 3.28Å; S323-A326 PolarHBondContact O-N 3.19Å; S323-A326 VanDerWaalsContact O-N 3.16Å
324I94.7Very high95.6Very high19 Ų1945.8 Ų45.810%0.09725%0.254CS..G310 helixtrans-65.1-25.6173.4-65.5176.3000111.1A326 V327 Q347 V348 E351 L449I324-A326 PolarHBondContact O-N 3.19Å; I324-A326 VanDerWaalsContact O-N 3.09Å; I324-V327 HydrophobicContact CG2-CG2 4.32Å; I324-V327 VanDerWaalsContact O-CB 3.23Å; I324-V327 WeakPolarHBondContact O-CB 2.96Å; I324-V327 WeakPolarHBondContact O-CG2 3.03Å; I324-V327 PolarHBondContact O-N 2.87Å; I324-V327 VanDerWaalsContact O-N 3.07Å; I324-Q347 HydrophobicContact CD1-CB 3.44Å; I324-Q347 VanDerWaalsContact CD1-CB 3.44Å; I324-Q347 HydrophobicContact CD1-CG 4.06Å; I324-Q347 HydrophobicContact CG2-CB 4.23Å; I324-V348 HydrophobicContact CG2-CB 4.26Å; I324-V348 HydrophobicContact CG2-CG2 3.62Å; I324-E351 HydrophobicContact CG2-CG 4.11Å; I324-L449 HydrophobicContact CG1-CD1 4.08Å; I324-L449 HydrophobicContact CG1-CD2 4.45Å
325S93.6Very high95.7Very high73 Ų7343 Ų4351%0.5124%0.239SC..G310 helixtrans-64.2-10.4173.462.30000114.7S323 E351S323-S325 WeakPolarHBondContact CB-OG 3.25Å; S323-S325 PolarHBondContact O-N 3.03Å; S323-S325 PolarHBondContact OG-N 2.78Å; S323-S325 PolarHBondContact OG-OG 3.28Å; S325-E351 WeakPolarHBondContact CB-OE2 3.42Å
326A96Very high95.5Very high38 Ų3840.2 Ų40.231%0.31423%0.226SC..G310 helixtrans-98.87.8175.700000113.4I321 S323 I324 R400I321-A326 HydrophobicContact CB-CB 4.13Å; I321-A326 WeakPolarHBondContact O-CB 3.35Å; S323-A326 PolarHBondContact O-N 3.19Å; S323-A326 VanDerWaalsContact O-N 3.16Å; I324-A326 PolarHBondContact O-N 3.19Å; I324-A326 VanDerWaalsContact O-N 3.09Å; A326-R400 PolarHBondContact O-NH2 3.35Å
327V96.9Very high95.3Very high8 Ų840.8 Ų40.85%0.04823%0.227CC..  trans-64.7146.8171.5171.10000109.8I321 I324 D331 I333 V348 H353 V383I321-V327 HydrophobicContact CD1-CG2 4.16Å; I324-V327 HydrophobicContact CG2-CG2 4.32Å; I324-V327 VanDerWaalsContact O-CB 3.23Å; I324-V327 WeakPolarHBondContact O-CB 2.96Å; I324-V327 WeakPolarHBondContact O-CG2 3.03Å; I324-V327 PolarHBondContact O-N 2.87Å; I324-V327 VanDerWaalsContact O-N 3.07Å; V327-D331 WeakPolarHBondContact CA-OD2 3.33Å; V327-D331 HydrophobicContact CG1-CB 4.18Å; V327-I333 HydrophobicContact CG2-CD1 3.77Å; V327-V348 HydrophobicContact CG1-CG1 4.18Å; V327-V348 HydrophobicContact CG2-CG2 4.47Å; V327-H353 PolarHBondContact O-NE2 2.86Å; V327-V383 HydrophobicContact CG1-CB 4.43Å; V327-V383 HydrophobicContact CG1-CG1 3.94Å; V327-V383 HydrophobicContact CG1-CG2 3.57Å
328Q95.6Very high94.9Very high88 Ų8840.4 Ų40.441%0.41122%0.224SC..  trans-135.9158.4-176.7-65.2-179.6-3.500110.7G330 D331Q328-G330 PolarHBondContact O-N 3.13Å; Q328-D331 PolarHBondContact N-OD2 3.14Å; Q328-D331 WeakPolarHBondContact O-CB 3.04Å; Q328-D331 PolarHBondContact O-N 3.25Å; Q328-D331 VanDerWaalsContact O-N 3.11Å
329P94.7Very high94.7Very high78 Ų7838 Ų3851%0.50621%0.211SC..THydrogen-bonded Turntrans-53.1134170.9-28.636.8000112.9D382P329-D382 HydrophobicContact CB-CB 4.01Å; P329-D382 HydrophobicContact CG-CB 4.35Å
330G94.2Very high94.6Very high8 Ų832.7 Ų32.78%0.08219%0.187CC..THydrogen-bonded Turntrans87.13.3-175.600000114.5Q328 D382 K399 R400Q328-G330 PolarHBondContact O-N 3.13Å; G330-D382 PolarHBondContact N-O 2.88Å; G330-K399 WeakPolarHBondContact O-CB 3.33Å; G330-K399 PolarHBondContact O-N 3.44Å; G330-R400 PolarHBondContact O-N 3.13Å
331D97.2Very high94.5Very high0 Ų032.3 Ų32.30%019%0.185CC..EExtended strand (participates in β ladder)trans-75.1146.3174.6-78-8.5000112.3V327 Q328 V383 L384 R400 I402V327-D331 WeakPolarHBondContact CA-OD2 3.33Å; V327-D331 HydrophobicContact CG1-CB 4.18Å; Q328-D331 PolarHBondContact N-OD2 3.14Å; Q328-D331 WeakPolarHBondContact O-CB 3.04Å; Q328-D331 PolarHBondContact O-N 3.25Å; Q328-D331 VanDerWaalsContact O-N 3.11Å; D331-V383 HydrophobicContact CB-CG1 4.44Å; D331-L384 PolarHBondContact O-N 3Å; D331-R400 CarbonylContact C-O 3.46Å; D331-R400 WeakPolarHBondContact CA-O 3.43Å; D331-R400 WeakPolarHBondContact OD1-CB 3.35Å; D331-R400 IonicContact OD1-CZ 2.78Å; D331-R400 IonicContact OD1-NE 3.82Å; D331-R400 PolarHBondContact OD1-NE 3.42Å; D331-R400 IonicContact OD1-NH2 3.79Å; D331-R400 PolarHBondContact OD1-NH2 2.99Å; D331-R400 IonicContact OD2-CZ 3.5Å; D331-R400 IonicContact OD2-NE 3.89Å; D331-R400 PolarHBondContact OD2-NE 3.46Å; D331-R400 IonicContact OD2-NH2 2.74Å; D331-R400 PolarHBondContact OD2-NH2 3.14Å; D331-I402 HydrophobicContact CB-CD1 3.98Å; D331-I402 WeakPolarHBondContact OD2-CD1 3.23Å
332C97.8Very high94.3Very high0 Ų033.4 Ų33.40%019%0.189CC..EExtended strand (participates in β ladder)trans-124.7117167.4177.50000110.4L384 I390 I398 R400 V401 I402C332-L384 CarbonylContact C-O 3.59Å; C332-L384 WeakPolarHBondContact CA-O 3.47Å; C332-L384 HydrophobicContact CB-CB 4.12Å; C332-L384 HydrophobicContact CB-CD2 4.31Å; C332-L384 HydrophobicContact CB-CG 4.45Å; C332-I390 VanDerWaalsContact SG-CD1 3.55Å; C332-I398 HydrophobicContact CB-CB 4.39Å; C332-I398 HydrophobicContact CB-CD1 3.75Å; C332-I398 HydrophobicContact CB-CG1 3.94Å; C332-I398 HydrophobicContact CB-CG2 3.54Å; C332-R400 PolarHBondContact N-O 3.39Å; C332-V401 HydrophobicContact CB-CG2 4.49Å; C332-V401 CarbonylContact O-C 3.58Å; C332-V401 WeakPolarHBondContact O-CA 3.07Å; C332-I402 PolarHBondContact O-N 3.35Å
333I98.1Very high94.3Very high1 Ų131.6 Ų31.61%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-94122.7174.6-49.8176.9000109.9V327 I344 V348 L384 V385 A386 I402 N404V327-I333 HydrophobicContact CG2-CD1 3.77Å; I333-I344 HydrophobicContact CB-CG2 4.16Å; I333-I344 HydrophobicContact CD1-CG2 3.78Å; I333-I344 HydrophobicContact CG2-CD1 4.35Å; I333-I344 HydrophobicContact CG2-CG2 3.88Å; I333-V348 HydrophobicContact CD1-CG2 3.54Å; I333-L384 PolarHBondContact N-O 2.81Å; I333-V385 HydrophobicContact CB-CG2 4.37Å; I333-V385 WeakPolarHBondContact O-CA 3.25Å; I333-A386 PolarHBondContact O-N 3.26Å; I333-I402 CarbonylContact C-O 3.52Å; I333-I402 WeakPolarHBondContact CA-O 3.35Å; I333-I402 HydrophobicContact CG1-CB 4.37Å; I333-I402 HydrophobicContact CG1-CD1 4.23Å; I333-N404 HydrophobicContact CG2-CB 4.02Å
334V97.7Very high94.3Very high0 Ų029.1 Ų29.10%016%0.16CC..EExtended strand (participates in β ladder)trans-101.9125.8-177.3-177.50000111.1F336 A386 I390 V401 I402 F403 N404 I430V334-F336 HydrophobicContact CG1-CE1 4.31Å; V334-A386 CarbonylContact C-O 3.5Å; V334-A386 VanDerWaalsContact CA-O 3.26Å; V334-A386 WeakPolarHBondContact CA-O 3.13Å; V334-I390 HydrophobicContact CG2-CD1 3.96Å; V334-V401 HydrophobicContact CG2-CG1 3.95Å; V334-I402 PolarHBondContact N-O 2.79Å; V334-F403 HydrophobicContact CB-CD1 4.4Å; V334-N404 VanDerWaalsContact O-CB 3.3Å; V334-N404 WeakPolarHBondContact O-CB 3.4Å; V334-N404 PolarHBondContact O-N 3.32Å; V334-I430 HydrophobicContact CB-CG2 4.31Å; V334-I430 HydrophobicContact CG1-CD1 4.41Å; V334-I430 HydrophobicContact CG1-CG2 4.03Å; V334-I430 HydrophobicContact CG2-CG2 3.71Å
335A95.3Very high94.3Very high0 Ų028.3 Ų28.30%016%0.156CC..  trans-132.8142.1174.400000111.7N337 D340 V341 I344 A386 T387 N404A335-N337 VanDerWaalsContact C-N 3.35Å; A335-N337 PolarHBondContact O-N 3.38Å; A335-D340 HydrophobicContact CB-CB 3.67Å; A335-V341 HydrophobicContact CB-CG2 4.33Å; A335-I344 HydrophobicContact CB-CD1 3.66Å; A335-A386 PolarHBondContact N-O 2.86Å; A335-T387 WeakPolarHBondContact O-CA 3.47Å; A335-T387 WeakPolarHBondContact O-CB 3.47Å; A335-T387 WeakPolarHBondContact O-CG2 3.42Å; A335-N404 HydrophobicContact CB-CB 4.3Å
336F92.3Very high94.2Very high23 Ų2329.1 Ų29.110%0.10115%0.151CC..SBendtrans-86.65.7-169.2-62.8-62.5000116V334 D388 F403 S405 K408 I422 I430V334-F336 HydrophobicContact CG1-CE1 4.31Å; F336-D388 HydrophobicContact CD1-CB 4.19Å; F336-D388 HydrophobicContact CE1-CB 4.23Å; F336-F403 HydrophobicContact CZ-CD1 4.13Å; F336-F403 HydrophobicContact CZ-CE1 4.2Å; F336-S405 WeakPolarHBondContact CE2-O 3.26Å; F336-K408 HydrophobicContact CB-CD 4.45Å; F336-K408 HydrophobicContact CB-CG 4.18Å; F336-I422 HydrophobicContact CD2-CG2 4.19Å; F336-I422 HydrophobicContact CE1-CG2 3.94Å; F336-I422 HydrophobicContact CE2-CD1 4.44Å; F336-I422 HydrophobicContact CE2-CG2 3.49Å; F336-I422 VanDerWaalsContact CE2-CG2 3.49Å; F336-I422 HydrophobicContact CZ-CB 4.48Å; F336-I422 HydrophobicContact CZ-CD1 3.84Å; F336-I422 HydrophobicContact CZ-CG2 3.4Å; F336-I430 HydrophobicContact CE1-CD1 3.87Å; F336-I430 HydrophobicContact CZ-CD1 4.44Å
337N90.6Very high94.1Very high53 Ų5331.3 Ų31.328%0.28315%0.154SC..SBendtrans-145.5154.617569.374000112A335 N339 D340 V341A335-N337 VanDerWaalsContact C-N 3.35Å; A335-N337 PolarHBondContact O-N 3.38Å; N337-N339 PolarHBondContact O-N 3.5Å; N337-N339 PolarHBondContact OD1-N 2.89Å; N337-D340 PolarHBondContact ND2-OD2 3.25Å; N337-D340 PolarHBondContact O-N 2.73Å; N337-D340 WeakPolarHBondContact OD1-CB 3.43Å; N337-D340 VanDerWaalsContact OD1-CG 3.23Å; N337-D340 PolarHBondContact OD1-N 3.48Å; N337-D340 PolarHBondContact OD1-OD1 2.93Å; N337-V341 WeakPolarHBondContact O-CG2 3.28Å; N337-V341 PolarHBondContact O-N 2.98Å
338K89.7Confident94Very high31 Ų3130.9 Ų30.914%0.13515%0.152CC..Hα-helixtrans-57-44.6-176.6-176.4174.1176.5174.40112.5D340 V341 F342 Y359 E593K338-D340 VanDerWaalsContact C-N 3.29Å; K338-D340 PolarHBondContact O-N 3.46Å; K338-V341 WeakPolarHBondContact O-CB 3.26Å; K338-V341 PolarHBondContact O-N 2.95Å; K338-V341 VanDerWaalsContact O-N 3.09Å; K338-F342 HydrophobicContact CD-CE2 4.26Å; K338-F342 HydrophobicContact CG-CD2 3.89Å; K338-F342 HydrophobicContact CG-CE2 3.68Å; K338-F342 WeakPolarHBondContact O-CD2 3.37Å; K338-F342 PolarHBondContact O-N 3.36Å; K338-F342 VanDerWaalsContact O-N 3.08Å; K338-Y359 HydrophobicContact CD-CD2 3.97Å; K338-Y359 HydrophobicContact CD-CE2 3.67Å; K338-Y359 VanDerWaalsContact CE-CE2 3.47Å; K338-Y359 VanDerWaalsContact CE-CZ 3.46Å; K338-Y359 WeakPolarHBondContact CE-OH 3.43Å; K338-Y359 HydrophobicContact CG-CD1 4.47Å; K338-Y359 HydrophobicContact CG-CD2 4.11Å; K338-Y359 HydrophobicContact CG-CE1 4.48Å; K338-Y359 HydrophobicContact CG-CE2 4.14Å; K338-Y359 HydrophobicContact CG-CG 4.28Å; K338-Y359 PolarHBondContact NZ-OH 2.58Å; K338-E593 IonicContact NZ-OE1 3.31Å; K338-E593 PolarHBondContact NZ-OE1 2.71Å; K338-E593 IonicContact NZ-OE2 2.77Å; K338-E593 PolarHBondContact NZ-OE2 2.79Å
339N89.8Confident93.9Very high68 Ų6828.7 Ų28.736%0.36414%0.142SC..Hα-helixtrans-61.9-38.3-177.8-67-12.6000112.3N337 F342 R343N337-N339 PolarHBondContact O-N 3.5Å; N337-N339 PolarHBondContact OD1-N 2.89Å; N339-F342 PolarHBondContact O-N 3.3Å; N339-R343 WeakPolarHBondContact O-CB 3.33Å; N339-R343 PolarHBondContact O-N 2.86Å
340D92.5Very high93.8Very high9 Ų929 Ų295%0.04815%0.151CC..Hα-helixtrans-66.8-39.9174.9-68.8-6.4000111.4A335 N337 K338 F342 R343 I344A335-D340 HydrophobicContact CB-CB 3.67Å; N337-D340 PolarHBondContact ND2-OD2 3.25Å; N337-D340 PolarHBondContact O-N 2.73Å; N337-D340 WeakPolarHBondContact OD1-CB 3.43Å; N337-D340 VanDerWaalsContact OD1-CG 3.23Å; N337-D340 PolarHBondContact OD1-N 3.48Å; N337-D340 PolarHBondContact OD1-OD1 2.93Å; K338-D340 VanDerWaalsContact C-N 3.29Å; K338-D340 PolarHBondContact O-N 3.46Å; D340-F342 PolarHBondContact O-N 3.39Å; D340-R343 PolarHBondContact O-N 2.83Å; D340-R343 IonicContact OD1-CZ 3.47Å; D340-R343 IonicContact OD1-NH1 3.35Å; D340-R343 PolarHBondContact OD1-NH1 2.93Å; D340-R343 IonicContact OD1-NH2 2.8Å; D340-R343 PolarHBondContact OD1-NH2 3.29Å; D340-R343 IonicContact OD2-NH2 2.67Å; D340-I344 HydrophobicContact CB-CD1 4.35Å; D340-I344 WeakPolarHBondContact O-CB 3.45Å; D340-I344 WeakPolarHBondContact O-CD1 3.25Å; D340-I344 WeakPolarHBondContact O-CG1 3.34Å; D340-I344 PolarHBondContact O-N 3.4Å
341V94Very high93.7Very high0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-57.8-48.6174.9179.60000110.6A335 N337 K338 A345 M357 Y359 V385 T387A335-V341 HydrophobicContact CB-CG2 4.33Å; N337-V341 WeakPolarHBondContact O-CG2 3.28Å; N337-V341 PolarHBondContact O-N 2.98Å; K338-V341 WeakPolarHBondContact O-CB 3.26Å; K338-V341 PolarHBondContact O-N 2.95Å; K338-V341 VanDerWaalsContact O-N 3.09Å; V341-A345 VanDerWaalsContact O-CB 3.23Å; V341-A345 WeakPolarHBondContact O-CB 3.42Å; V341-A345 PolarHBondContact O-N 3.04Å; V341-M357 HydrophobicContact CB-CE 4.36Å; V341-M357 HydrophobicContact CG1-CB 4.32Å; V341-M357 HydrophobicContact CG1-CE 3.56Å; V341-M357 HydrophobicContact CG1-CG 4.4Å; V341-Y359 HydrophobicContact CG1-CD1 4.4Å; V341-V385 HydrophobicContact CB-CG1 4.25Å; V341-V385 HydrophobicContact CG1-CB 4.31Å; V341-V385 HydrophobicContact CG1-CG1 3.81Å; V341-T387 HydrophobicContact CG2-CG2 3.58Å
342F92.5Very high93.5Very high35 Ų3536.7 Ų36.715%0.15420%0.201CC..Hα-helixtrans-63.4-42.3176.9-81-87000112.8K338 N339 D340 K346 M357 Y359 L586 L589 L634K338-F342 HydrophobicContact CD-CE2 4.26Å; K338-F342 HydrophobicContact CG-CD2 3.89Å; K338-F342 HydrophobicContact CG-CE2 3.68Å; K338-F342 WeakPolarHBondContact O-CD2 3.37Å; K338-F342 PolarHBondContact O-N 3.36Å; K338-F342 VanDerWaalsContact O-N 3.08Å; N339-F342 PolarHBondContact O-N 3.3Å; D340-F342 PolarHBondContact O-N 3.39Å; F342-K346 PolarHBondContact O-N 3.5Å; F342-K346 VanDerWaalsContact O-N 3.17Å; F342-M357 HydrophobicContact CB-CE 4.16Å; F342-M357 HydrophobicContact CD1-CE 3.56Å; F342-M357 HydrophobicContact CD1-SD 4.35Å; F342-M357 HydrophobicContact CD2-CE 3.78Å; F342-M357 HydrophobicContact CE1-CE 3.71Å; F342-M357 HydrophobicContact CE1-SD 4.27Å; F342-M357 HydrophobicContact CE2-CE 3.9Å; F342-M357 HydrophobicContact CG-CE 3.58Å; F342-M357 HydrophobicContact CZ-CE 3.87Å; F342-Y359 HydrophobicContact CE2-CD1 4.43Å; F342-Y359 AromaticContact CE2-CE1 3.69Å; F342-Y359 HydrophobicContact CE2-CE1 3.69Å; F342-Y359 AromaticContact CZ-CE1 3.96Å; F342-Y359 HydrophobicContact CZ-CE1 3.96Å; F342-L586 HydrophobicContact CD1-CD1 4.15Å; F342-L586 HydrophobicContact CD2-CD1 3.94Å; F342-L586 HydrophobicContact CE1-CD1 3.87Å; F342-L586 HydrophobicContact CE2-CD1 3.67Å; F342-L586 HydrophobicContact CG-CD1 4.21Å; F342-L586 HydrophobicContact CZ-CD1 3.63Å; F342-L589 HydrophobicContact CE1-CD2 4.37Å; F342-L589 HydrophobicContact CZ-CD2 3.73Å; F342-L634 HydrophobicContact CE1-CD2 4.27Å; F342-L634 HydrophobicContact CZ-CD2 3.87Å
343R92.8Very high93.4Very high80 Ų8038.2 Ų38.230%0.30221%0.209SC..Hα-helixtrans-64.5-45.4179.7-175.3178.764.8-105.3-0.5111.8N339 D340 Q347N339-R343 WeakPolarHBondContact O-CB 3.33Å; N339-R343 PolarHBondContact O-N 2.86Å; D340-R343 PolarHBondContact O-N 2.83Å; D340-R343 IonicContact OD1-CZ 3.47Å; D340-R343 IonicContact OD1-NH1 3.35Å; D340-R343 PolarHBondContact OD1-NH1 2.93Å; D340-R343 IonicContact OD1-NH2 2.8Å; D340-R343 PolarHBondContact OD1-NH2 3.29Å; D340-R343 IonicContact OD2-NH2 2.67Å; R343-Q347 WeakPolarHBondContact O-CG 3.25Å; R343-Q347 PolarHBondContact O-N 3.21Å
344I95Very high93.1Very high0 Ų041.9 Ų41.90%023%0.228CC..Hα-helixtrans-68.7-44-179.7-67161.8000110.2I333 A335 D340 K346 Q347 V348 V385 N404I333-I344 HydrophobicContact CB-CG2 4.16Å; I333-I344 HydrophobicContact CD1-CG2 3.78Å; I333-I344 HydrophobicContact CG2-CD1 4.35Å; I333-I344 HydrophobicContact CG2-CG2 3.88Å; A335-I344 HydrophobicContact CB-CD1 3.66Å; D340-I344 HydrophobicContact CB-CD1 4.35Å; D340-I344 WeakPolarHBondContact O-CB 3.45Å; D340-I344 WeakPolarHBondContact O-CD1 3.25Å; D340-I344 WeakPolarHBondContact O-CG1 3.34Å; D340-I344 PolarHBondContact O-N 3.4Å; I344-K346 VanDerWaalsContact C-N 3.27Å; I344-K346 PolarHBondContact O-N 2.77Å; I344-Q347 WeakPolarHBondContact O-CB 3.49Å; I344-Q347 PolarHBondContact O-N 2.92Å; I344-V348 HydrophobicContact CG2-CG2 4.08Å; I344-V348 WeakPolarHBondContact O-CG2 3.5Å; I344-V348 PolarHBondContact O-N 2.73Å; I344-V385 HydrophobicContact CB-CG1 3.94Å; I344-V385 HydrophobicContact CG2-CG1 3.79Å; I344-V385 HydrophobicContact CG2-CG2 3.95Å; I344-N404 HydrophobicContact CD1-CB 3.73Å; I344-N404 VanDerWaalsContact CD1-CG 3.41Å
345A93.8Very high93Very high2 Ų241.9 Ų41.92%0.01723%0.228CC..Hα-helixtrans-52.9-48.3176.400000111V341 Q347 V348 E349 V355 M357 V385V341-A345 VanDerWaalsContact O-CB 3.23Å; V341-A345 WeakPolarHBondContact O-CB 3.42Å; V341-A345 PolarHBondContact O-N 3.04Å; A345-Q347 VanDerWaalsContact C-N 3.33Å; A345-Q347 PolarHBondContact O-N 3.08Å; A345-V348 PolarHBondContact O-N 3.26Å; A345-E349 WeakPolarHBondContact O-CB 2.97Å; A345-E349 VanDerWaalsContact O-CG 3.29Å; A345-E349 WeakPolarHBondContact O-CG 3.26Å; A345-E349 PolarHBondContact O-N 2.85Å; A345-V355 HydrophobicContact CB-CB 4.43Å; A345-V355 HydrophobicContact CB-CG1 3.82Å; A345-M357 HydrophobicContact CB-CE 4Å; A345-M357 HydrophobicContact CB-CG 4Å; A345-M357 HydrophobicContact CB-SD 3.77Å; A345-V385 HydrophobicContact CB-CB 4.49Å; A345-V385 HydrophobicContact CB-CG2 4.42Å
346K91.4Very high93Very high90 Ų9041.9 Ų41.939%0.39123%0.228SC..Hα-helixtrans-61.5-37.6176.5-172.1178.8-179.1-170.80113.6F342 I344 A350F342-K346 PolarHBondContact O-N 3.5Å; F342-K346 VanDerWaalsContact O-N 3.17Å; I344-K346 VanDerWaalsContact C-N 3.27Å; I344-K346 PolarHBondContact O-N 2.77Å; K346-A350 WeakPolarHBondContact O-CB 3.49Å; K346-A350 PolarHBondContact O-N 2.79Å; K346-A350 VanDerWaalsContact O-N 3.08Å
347Q94.4Very high93.1Very high83 Ų8341 Ų4139%0.38822%0.224SC..Hα-helixtrans-68.7-41177.9-72.7172.8-36.900111.6I324 R343 I344 A345 A350 E351I324-Q347 HydrophobicContact CD1-CB 3.44Å; I324-Q347 VanDerWaalsContact CD1-CB 3.44Å; I324-Q347 HydrophobicContact CD1-CG 4.06Å; I324-Q347 HydrophobicContact CG2-CB 4.23Å; R343-Q347 WeakPolarHBondContact O-CG 3.25Å; R343-Q347 PolarHBondContact O-N 3.21Å; I344-Q347 WeakPolarHBondContact O-CB 3.49Å; I344-Q347 PolarHBondContact O-N 2.92Å; A345-Q347 VanDerWaalsContact C-N 3.33Å; A345-Q347 PolarHBondContact O-N 3.08Å; Q347-A350 PolarHBondContact O-N 3.09Å; Q347-E351 PolarHBondContact O-N 3.44Å
348V95.1Very high93.3Very high0 Ų038.4 Ų38.40%021%0.211CC..Hα-helixtrans-67.3-40.5177.2172.80000111I324 V327 I333 I344 A345 A350 E351 H353 V355 V383 V385I324-V348 HydrophobicContact CG2-CB 4.26Å; I324-V348 HydrophobicContact CG2-CG2 3.62Å; V327-V348 HydrophobicContact CG1-CG1 4.18Å; V327-V348 HydrophobicContact CG2-CG2 4.47Å; I333-V348 HydrophobicContact CD1-CG2 3.54Å; I344-V348 HydrophobicContact CG2-CG2 4.08Å; I344-V348 WeakPolarHBondContact O-CG2 3.5Å; I344-V348 PolarHBondContact O-N 2.73Å; A345-V348 PolarHBondContact O-N 3.26Å; V348-A350 VanDerWaalsContact C-N 3.31Å; V348-A350 PolarHBondContact O-N 3.4Å; V348-E351 WeakPolarHBondContact O-CB 3.48Å; V348-E351 PolarHBondContact O-N 2.87Å; V348-E351 VanDerWaalsContact O-N 3.12Å; V348-H353 HydrophobicContact CG1-CB 3.67Å; V348-H353 PolarHBondContact O-N 2.78Å; V348-V355 HydrophobicContact CB-CG2 3.79Å; V348-V355 HydrophobicContact CG1-CG2 3.41Å; V348-V355 VanDerWaalsContact CG1-CG2 3.41Å; V348-V383 HydrophobicContact CG1-CB 4.12Å; V348-V383 HydrophobicContact CG1-CG1 3.9Å; V348-V383 HydrophobicContact CG1-CG2 4.24Å; V348-V385 HydrophobicContact CG2-CG2 4.5Å
349E92.6Very high93.5Very high42 Ų4237.1 Ų37.120%0.19621%0.205CC..Hα-helixtrans-64.4-34.8175.1-72.4173.3159.800112.4A345 E351 G352 H353 V355 K638A345-E349 WeakPolarHBondContact O-CB 2.97Å; A345-E349 VanDerWaalsContact O-CG 3.29Å; A345-E349 WeakPolarHBondContact O-CG 3.26Å; A345-E349 PolarHBondContact O-N 2.85Å; E349-E351 PolarHBondContact O-N 3.19Å; E349-G352 PolarHBondContact O-N 3.3Å; E349-H353 WeakPolarHBondContact CA-O 3.45Å; E349-V355 HydrophobicContact CG-CB 4.14Å; E349-V355 HydrophobicContact CG-CG2 3.77Å; E349-K638 WeakPolarHBondContact OE1-CD 3.42Å; E349-K638 WeakPolarHBondContact OE1-CG 3.48Å
350A92.6Very high93.5Very high85 Ų8536 Ų3670%0.70221%0.209SC*.Hα-helixtrans-64.7-22.7174.600000113.2K346 Q347 V348 G352K346-A350 WeakPolarHBondContact O-CB 3.49Å; K346-A350 PolarHBondContact O-N 2.79Å; K346-A350 VanDerWaalsContact O-N 3.08Å; Q347-A350 PolarHBondContact O-N 3.09Å; V348-A350 VanDerWaalsContact C-N 3.31Å; V348-A350 PolarHBondContact O-N 3.4Å; A350-G352 VanDerWaalsContact C-N 3.29Å
351E93.4Very high93.4Very high105 Ų10537.5 Ų37.549%0.49122%0.22SC..THydrogen-bonded Turntrans-84.5-1.1172.3-59.9-66.2152.100112.6I324 S325 Q347 V348 E349I324-E351 HydrophobicContact CG2-CG 4.11Å; S325-E351 WeakPolarHBondContact CB-OE2 3.42Å; Q347-E351 PolarHBondContact O-N 3.44Å; V348-E351 WeakPolarHBondContact O-CB 3.48Å; V348-E351 PolarHBondContact O-N 2.87Å; V348-E351 VanDerWaalsContact O-N 3.12Å; E349-E351 PolarHBondContact O-N 3.19Å
352G92.8Very high93.3Very high63 Ų6337.7 Ų37.765%0.64922%0.221SC*.THydrogen-bonded Turntrans97.58.6174.100000115.9E349 A350E349-G352 PolarHBondContact O-N 3.3Å; A350-G352 VanDerWaalsContact C-N 3.29Å
353H94.3Very high93.3Very high33 Ų3336.1 Ų36.115%0.15322%0.215CC..  trans-87.4158.5175.1-69.3-72.1000112.3V327 V348 E349 D382 V383V327-H353 PolarHBondContact O-NE2 2.86Å; V348-H353 HydrophobicContact CG1-CB 3.67Å; V348-H353 PolarHBondContact O-N 2.78Å; E349-H353 WeakPolarHBondContact CA-O 3.45Å; H353-D382 IonicContact CE1-OD2 3.6Å; H353-D382 IonicContact CG-OD1 3.67Å; H353-D382 IonicContact CG-OD2 3.48Å; H353-D382 IonicContact ND1-OD1 3.39Å; H353-D382 IonicContact ND1-OD2 3.48Å; H353-D382 PolarHBondContact ND1-OD2 3.1Å; H353-V383 HydrophobicContact CB-CG2 3.88Å
354N93.6Very high93.2Very high77 Ų7733.9 Ų33.941%0.41221%0.21SC..  trans-106.3123.3172.7-66-76.2000109.4P380 D382 V383N354-P380 VanDerWaalsContact CB-O 3.26Å; N354-P380 WeakPolarHBondContact CB-O 3.37Å; N354-P380 PolarHBondContact ND2-O 2.89Å; N354-D382 PolarHBondContact N-OD1 3.18Å; N354-D382 PolarHBondContact O-N 2.94Å; N354-D382 VanDerWaalsContact O-N 3.07Å; N354-V383 PolarHBondContact O-N 3.19Å
355V94.6Very high92.9Very high0 Ų035.1 Ų35.10%022%0.223CC..EExtended strand (participates in β ladder)trans-104.5133.9-168.7178.40000112A345 V348 E349 M357 V383 V385 K638A345-V355 HydrophobicContact CB-CB 4.43Å; A345-V355 HydrophobicContact CB-CG1 3.82Å; V348-V355 HydrophobicContact CB-CG2 3.79Å; V348-V355 HydrophobicContact CG1-CG2 3.41Å; V348-V355 VanDerWaalsContact CG1-CG2 3.41Å; E349-V355 HydrophobicContact CG-CB 4.14Å; E349-V355 HydrophobicContact CG-CG2 3.77Å; V355-M357 HydrophobicContact CG1-CG 4.12Å; V355-V383 CarbonylContact C-O 3.57Å; V355-V383 VanDerWaalsContact CA-O 3.3Å; V355-V383 WeakPolarHBondContact CA-O 3.3Å; V355-V383 HydrophobicContact CG2-CB 4.36Å; V355-V385 HydrophobicContact CG1-CB 3.95Å; V355-V385 HydrophobicContact CG1-CG2 3.53Å; V355-K638 WeakPolarHBondContact O-CE 3.44Å; V355-K638 PolarHBondContact O-NZ 3.37Å
356A94.9Very high92.9Very high0 Ų035 Ų350%022%0.222CC..EExtended strand (participates in β ladder)trans-91.9145.8159.100000110.1Q370 F374 C381 V383 L384 V385A356-Q370 VanDerWaalsContact CA-OE1 3.25Å; A356-Q370 HydrophobicContact CB-CB 4.43Å; A356-F374 HydrophobicContact CB-CB 4.12Å; A356-C381 WeakPolarHBondContact CB-SG 3.42Å; A356-C381 PolarHBondContact N-SG 2.86Å; A356-V383 PolarHBondContact N-O 3.44Å; A356-L384 HydrophobicContact CB-CD1 3.9Å; A356-L384 WeakPolarHBondContact O-CD1 3.22Å; A356-V385 PolarHBondContact O-N 3.24Å
357M94.7Very high93Very high4 Ų432.2 Ų32.22%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-124126.6-177.3-65.2177.473.100111.9V341 F342 A345 V355 L362 V385V341-M357 HydrophobicContact CB-CE 4.36Å; V341-M357 HydrophobicContact CG1-CB 4.32Å; V341-M357 HydrophobicContact CG1-CE 3.56Å; V341-M357 HydrophobicContact CG1-CG 4.4Å; F342-M357 HydrophobicContact CB-CE 4.16Å; F342-M357 HydrophobicContact CD1-CE 3.56Å; F342-M357 HydrophobicContact CD1-SD 4.35Å; F342-M357 HydrophobicContact CD2-CE 3.78Å; F342-M357 HydrophobicContact CE1-CE 3.71Å; F342-M357 HydrophobicContact CE1-SD 4.27Å; F342-M357 HydrophobicContact CE2-CE 3.9Å; F342-M357 HydrophobicContact CG-CE 3.58Å; F342-M357 HydrophobicContact CZ-CE 3.87Å; A345-M357 HydrophobicContact CB-CE 4Å; A345-M357 HydrophobicContact CB-CG 4Å; A345-M357 HydrophobicContact CB-SD 3.77Å; V355-M357 HydrophobicContact CG1-CG 4.12Å; M357-L362 WeakPolarHBondContact O-CD1 3.43Å; M357-V385 VanDerWaalsContact CA-O 3.31Å; M357-V385 WeakPolarHBondContact CA-O 3.49Å
358I95.3Very high92.9Very high0 Ų031.7 Ų31.70%021%0.21CC..EExtended strand (participates in β ladder)trans-131.5116.5178.6-62-179.9000111.1K367 Q370 A371 L384 V385 A386 T387 I390 L394 L396I358-K367 HydrophobicContact CG2-CG 4.4Å; I358-Q370 HydrophobicContact CD1-CB 4.31Å; I358-Q370 HydrophobicContact CG1-CB 3.92Å; I358-A371 HydrophobicContact CD1-CB 4.2Å; I358-L384 HydrophobicContact CB-CD1 4.33Å; I358-L384 HydrophobicContact CD1-CD1 3.81Å; I358-L384 HydrophobicContact CD1-CD2 4.49Å; I358-L384 HydrophobicContact CG1-CD1 3.83Å; I358-V385 PolarHBondContact N-O 3.41Å; I358-A386 HydrophobicContact CB-CB 3.99Å; I358-A386 CarbonylContact O-C 3.25Å; I358-A386 WeakPolarHBondContact O-CA 3.43Å; I358-A386 VanDerWaalsContact O-CB 3.26Å; I358-A386 WeakPolarHBondContact O-CB 3.21Å; I358-T387 PolarHBondContact O-N 2.6Å; I358-I390 HydrophobicContact CB-CG2 4.17Å; I358-I390 HydrophobicContact CG2-CG2 3.88Å; I358-L394 HydrophobicContact CD1-CD1 3.91Å; I358-L394 HydrophobicContact CG2-CD1 3.71Å; I358-L396 HydrophobicContact CD1-CD2 4.19Å
359Y94.3Very high92.7Very high3 Ų332.4 Ų32.41%0.01222%0.216CC..  trans-137.2163.5175.255.1-95000112.2K338 V341 F342 S361 L362 K367 L589 E593 L634K338-Y359 HydrophobicContact CD-CD2 3.97Å; K338-Y359 HydrophobicContact CD-CE2 3.67Å; K338-Y359 VanDerWaalsContact CE-CE2 3.47Å; K338-Y359 VanDerWaalsContact CE-CZ 3.46Å; K338-Y359 WeakPolarHBondContact CE-OH 3.43Å; K338-Y359 HydrophobicContact CG-CD1 4.47Å; K338-Y359 HydrophobicContact CG-CD2 4.11Å; K338-Y359 HydrophobicContact CG-CE1 4.48Å; K338-Y359 HydrophobicContact CG-CE2 4.14Å; K338-Y359 HydrophobicContact CG-CG 4.28Å; K338-Y359 PolarHBondContact NZ-OH 2.58Å; V341-Y359 HydrophobicContact CG1-CD1 4.4Å; F342-Y359 HydrophobicContact CE2-CD1 4.43Å; F342-Y359 AromaticContact CE2-CE1 3.69Å; F342-Y359 HydrophobicContact CE2-CE1 3.69Å; F342-Y359 AromaticContact CZ-CE1 3.96Å; F342-Y359 HydrophobicContact CZ-CE1 3.96Å; Y359-S361 WeakPolarHBondContact CD2-OG 3.44Å; Y359-S361 VanDerWaalsContact CE2-OG 3.29Å; Y359-S361 WeakPolarHBondContact CE2-OG 3.5Å; Y359-S361 PolarHBondContact O-N 2.94Å; Y359-L362 HydrophobicContact CD1-CD1 3.94Å; Y359-L362 HydrophobicContact CD1-CG 3.98Å; Y359-L362 HydrophobicContact CD2-CD2 4.38Å; Y359-L362 HydrophobicContact CD2-CG 3.79Å; Y359-L362 HydrophobicContact CE1-CD1 3.87Å; Y359-L362 HydrophobicContact CE1-CD2 3.77Å; Y359-L362 HydrophobicContact CE1-CG 3.74Å; Y359-L362 HydrophobicContact CE2-CB 4.5Å; Y359-L362 HydrophobicContact CE2-CD1 4.48Å; Y359-L362 HydrophobicContact CE2-CD2 3.59Å; Y359-L362 HydrophobicContact CE2-CG 3.51Å; Y359-L362 HydrophobicContact CG-CD1 4.29Å; Y359-L362 HydrophobicContact CG-CG 4.01Å; Y359-L362 VanDerWaalsContact CZ-CG 3.49Å; Y359-L362 WeakPolarHBondContact O-CB 3.39Å; Y359-L362 PolarHBondContact O-N 3.02Å; Y359-L362 VanDerWaalsContact O-N 3.12Å; Y359-L362 VanDerWaalsContact OH-CD2 3.23Å; Y359-L362 WeakPolarHBondContact OH-CD2 3.18Å; Y359-K367 WeakPolarHBondContact O-CE 3.34Å; Y359-L589 WeakPolarHBondContact OH-CD2 3.5Å; Y359-E593 VanDerWaalsContact CE2-OE1 3.23Å; Y359-E593 WeakPolarHBondContact CE2-OE1 3.45Å; Y359-E593 VanDerWaalsContact CZ-OE1 3.3Å; Y359-E593 PolarHBondContact OH-OE1 2.68Å; Y359-L634 HydrophobicContact CE1-CD2 4.25Å
360G89.7Confident92.8Very high44 Ų4430.6 Ų30.645%0.45421%0.207SC..THydrogen-bonded Turntrans-54.2-43.1-167.900000115.7L362 K367G360-L362 VanDerWaalsContact C-N 3.29Å; G360-L362 PolarHBondContact O-N 2.73Å; G360-K367 PolarHBondContact O-NZ 3.14Å
361S89.9Confident92.9Very high41 Ų4126.7 Ų26.729%0.28718%0.175SC..THydrogen-bonded Turntrans-79.8-2.2-177.658.70000115Y359 E593Y359-S361 WeakPolarHBondContact CD2-OG 3.44Å; Y359-S361 VanDerWaalsContact CE2-OG 3.29Å; Y359-S361 WeakPolarHBondContact CE2-OG 3.5Å; Y359-S361 PolarHBondContact O-N 2.94Å; S361-E593 WeakPolarHBondContact CB-OE2 3.46Å; S361-E593 PolarHBondContact OG-OE2 2.85Å
362L92.5Very high92.8Very high4 Ų428 Ų282%0.02118%0.181CC..SBendtrans-65.4139.2176.2-74.4178.4000111.3M357 Y359 G360 T366 K367 I630 L634M357-L362 WeakPolarHBondContact O-CD1 3.43Å; Y359-L362 HydrophobicContact CD1-CD1 3.94Å; Y359-L362 HydrophobicContact CD1-CG 3.98Å; Y359-L362 HydrophobicContact CD2-CD2 4.38Å; Y359-L362 HydrophobicContact CD2-CG 3.79Å; Y359-L362 HydrophobicContact CE1-CD1 3.87Å; Y359-L362 HydrophobicContact CE1-CD2 3.77Å; Y359-L362 HydrophobicContact CE1-CG 3.74Å; Y359-L362 HydrophobicContact CE2-CB 4.5Å; Y359-L362 HydrophobicContact CE2-CD1 4.48Å; Y359-L362 HydrophobicContact CE2-CD2 3.59Å; Y359-L362 HydrophobicContact CE2-CG 3.51Å; Y359-L362 HydrophobicContact CG-CD1 4.29Å; Y359-L362 HydrophobicContact CG-CG 4.01Å; Y359-L362 VanDerWaalsContact CZ-CG 3.49Å; Y359-L362 WeakPolarHBondContact O-CB 3.39Å; Y359-L362 PolarHBondContact O-N 3.02Å; Y359-L362 VanDerWaalsContact O-N 3.12Å; Y359-L362 VanDerWaalsContact OH-CD2 3.23Å; Y359-L362 WeakPolarHBondContact OH-CD2 3.18Å; G360-L362 VanDerWaalsContact C-N 3.29Å; G360-L362 PolarHBondContact O-N 2.73Å; L362-T366 HydrophobicContact CD1-CG2 4.42Å; L362-T366 HydrophobicContact CD2-CG2 4.11Å; L362-K367 HydrophobicContact CB-CD 4.32Å; L362-K367 HydrophobicContact CB-CG 3.63Å; L362-K367 HydrophobicContact CD1-CG 4.42Å; L362-K367 WeakPolarHBondContact O-CE 3.48Å; L362-K367 PolarHBondContact O-NZ 3.47Å; L362-I630 HydrophobicContact CD2-CG2 4.27Å; L362-L634 HydrophobicContact CD1-CD1 4.33Å; L362-L634 HydrophobicContact CD2-CD1 3.81Å
363P92.1Very high92.8Very high2 Ų226.8 Ų26.81%0.01316%0.158CC..  trans-50.2146.9167.1-3238.9000113.1G365 T366 K367 F596 D627 I630P363-G365 PolarHBondContact O-N 2.7Å; P363-T366 PolarHBondContact O-N 2.84Å; P363-K367 WeakPolarHBondContact O-CG 2.97Å; P363-K367 PolarHBondContact O-N 3.26Å; P363-F596 HydrophobicContact CB-CD2 3.96Å; P363-F596 HydrophobicContact CB-CE1 4.18Å; P363-F596 HydrophobicContact CB-CE2 3.56Å; P363-F596 HydrophobicContact CB-CG 4.41Å; P363-F596 HydrophobicContact CB-CZ 3.69Å; P363-F596 HydrophobicContact CG-CD1 4.29Å; P363-F596 HydrophobicContact CG-CD2 3.65Å; P363-F596 HydrophobicContact CG-CE1 4.45Å; P363-F596 HydrophobicContact CG-CE2 3.82Å; P363-F596 HydrophobicContact CG-CG 3.9Å; P363-F596 HydrophobicContact CG-CZ 4.23Å; P363-D627 HydrophobicContact CB-CB 4.43Å; P363-D627 WeakPolarHBondContact CB-OD2 3.23Å; P363-I630 HydrophobicContact CG-CD1 3.62Å; P363-I630 HydrophobicContact CG-CG2 4.29Å
364P89.4Confident92.8Very high33 Ų3326 Ų2621%0.21415%0.154CC..Hα-helixtrans-55.5-43.8178.6-26.835.3000114.1K198 L199 K367 L368K198-P364 HydrophobicContact CD-CG 4.35Å; L199-P364 HydrophobicContact CD2-CB 3.67Å; L199-P364 HydrophobicContact CG-CB 4.21Å; P364-K367 PolarHBondContact O-N 3.02Å; P364-L368 WeakPolarHBondContact O-CG 3.5Å; P364-L368 PolarHBondContact O-N 3.32Å
365G90.5Very high92.7Very high26 Ų2624.7 Ų24.727%0.26815%0.148SC..Hα-helixtrans-65.6-40.2-179.700000111.9P363 L368 A369 D627P363-G365 PolarHBondContact O-N 2.7Å; G365-L368 PolarHBondContact O-N 3.4Å; G365-A369 WeakPolarHBondContact O-CB 3.29Å; G365-A369 PolarHBondContact O-N 3.1Å; G365-D627 VanDerWaalsContact C-OD1 3.3Å; G365-D627 WeakPolarHBondContact CA-OD2 3.42Å; G365-D627 PolarHBondContact N-OD2 2.74Å
366T92.6Very high92.6Very high0 Ų028.2 Ų28.20%017%0.166CC..Hα-helixtrans-65.3-41.7175-59.90000111.8L362 P363 L368 A369 Q370 D627 I630 R631 L634L362-T366 HydrophobicContact CD1-CG2 4.42Å; L362-T366 HydrophobicContact CD2-CG2 4.11Å; P363-T366 PolarHBondContact O-N 2.84Å; T366-L368 VanDerWaalsContact C-N 3.35Å; T366-L368 PolarHBondContact O-N 2.92Å; T366-A369 PolarHBondContact O-N 3.09Å; T366-Q370 HydrophobicContact CG2-CG 4.49Å; T366-Q370 WeakPolarHBondContact O-CG 3.45Å; T366-Q370 PolarHBondContact O-N 3.14Å; T366-D627 PolarHBondContact N-OD1 2.65Å; T366-D627 PolarHBondContact N-OD2 3.34Å; T366-D627 PolarHBondContact OG1-O 3.48Å; T366-D627 PolarHBondContact OG1-OD1 2.94Å; T366-I630 HydrophobicContact CG2-CG2 4.25Å; T366-R631 HydrophobicContact CG2-CB 4.26Å; T366-L634 HydrophobicContact CG2-CD1 3.53Å
367K93.3Very high92.2Very high32 Ų3234.1 Ų34.114%0.13920%0.204CC..Hα-helixtrans-59.9-44.5174.7-73175.2175.2147.60111.8L199 I358 Y359 G360 L362 P363 P364 Q370 A371 L394L199-K367 HydrophobicContact CD1-CB 4.39Å; L199-K367 HydrophobicContact CD1-CD 4.07Å; I358-K367 HydrophobicContact CG2-CG 4.4Å; Y359-K367 WeakPolarHBondContact O-CE 3.34Å; G360-K367 PolarHBondContact O-NZ 3.14Å; L362-K367 HydrophobicContact CB-CD 4.32Å; L362-K367 HydrophobicContact CB-CG 3.63Å; L362-K367 HydrophobicContact CD1-CG 4.42Å; L362-K367 WeakPolarHBondContact O-CE 3.48Å; L362-K367 PolarHBondContact O-NZ 3.47Å; P363-K367 WeakPolarHBondContact O-CG 2.97Å; P363-K367 PolarHBondContact O-N 3.26Å; P364-K367 PolarHBondContact O-N 3.02Å; K367-Q370 PolarHBondContact O-N 3.07Å; K367-A371 WeakPolarHBondContact O-CB 3.2Å; K367-A371 PolarHBondContact O-N 3.15Å; K367-L394 HydrophobicContact CB-CD2 4.22Å
368L92.1Very high92.1Very high71 Ų7141.2 Ų41.237%0.37224%0.243SC..Hα-helixtrans-64-43.9177.3-73.3172000111.6L199 P364 G365 T366 Q370 A371 Q372 L394L199-L368 HydrophobicContact CD2-CD1 3.7Å; L199-L368 HydrophobicContact CD2-CD2 4.04Å; L199-L368 HydrophobicContact CD2-CG 3.64Å; P364-L368 WeakPolarHBondContact O-CG 3.5Å; P364-L368 PolarHBondContact O-N 3.32Å; G365-L368 PolarHBondContact O-N 3.4Å; T366-L368 VanDerWaalsContact C-N 3.35Å; T366-L368 PolarHBondContact O-N 2.92Å; L368-Q370 PolarHBondContact O-N 3.39Å; L368-A371 PolarHBondContact O-N 3.49Å; L368-Q372 WeakPolarHBondContact O-CB 3.44Å; L368-Q372 VanDerWaalsContact O-CG 3.3Å; L368-Q372 WeakPolarHBondContact O-CG 3.24Å; L368-Q372 PolarHBondContact O-N 3.24Å; L368-L394 HydrophobicContact CD2-CD2 4.18Å
369A92.6Very high91.9Very high16 Ų1643.6 Ų43.613%0.13226%0.255CS..Hα-helixtrans-61.8-42.8177.700000112.1G365 T366 Q372 K373 R631G365-A369 WeakPolarHBondContact O-CB 3.29Å; G365-A369 PolarHBondContact O-N 3.1Å; T366-A369 PolarHBondContact O-N 3.09Å; A369-Q372 PolarHBondContact O-N 2.85Å; A369-K373 WeakPolarHBondContact O-CB 3.08Å; A369-K373 PolarHBondContact O-N 3.28Å; A369-R631 HydrophobicContact CB-CG 4.43Å
370Q94.2Very high91.8Very high3 Ų347.5 Ų47.51%0.01428%0.281CS..Hα-helixtrans-66.3-37175.8-68.1-68.3-5500112.1A356 I358 T366 K367 L368 F374 E635A356-Q370 VanDerWaalsContact CA-OE1 3.25Å; A356-Q370 HydrophobicContact CB-CB 4.43Å; I358-Q370 HydrophobicContact CD1-CB 4.31Å; I358-Q370 HydrophobicContact CG1-CB 3.92Å; T366-Q370 HydrophobicContact CG2-CG 4.49Å; T366-Q370 WeakPolarHBondContact O-CG 3.45Å; T366-Q370 PolarHBondContact O-N 3.14Å; K367-Q370 PolarHBondContact O-N 3.07Å; L368-Q370 PolarHBondContact O-N 3.39Å; Q370-F374 PolarHBondContact O-N 3.44Å; Q370-F374 VanDerWaalsContact O-N 3.12Å; Q370-E635 PolarHBondContact NE2-OE1 3.32Å
371A93.2Very high91.9Very high4 Ų445.7 Ų45.73%0.03326%0.261CS..Hα-helixtrans-67.9-40.2174.400000112.6I358 K367 L368 F374 N375 L394 L396I358-A371 HydrophobicContact CD1-CB 4.2Å; K367-A371 WeakPolarHBondContact O-CB 3.2Å; K367-A371 PolarHBondContact O-N 3.15Å; L368-A371 PolarHBondContact O-N 3.49Å; A371-F374 PolarHBondContact O-N 3.37Å; A371-N375 WeakPolarHBondContact O-CB 3.45Å; A371-N375 PolarHBondContact O-N 2.92Å; A371-N375 VanDerWaalsContact O-N 3.09Å; A371-N375 PolarHBondContact O-ND2 2.9Å; A371-L394 HydrophobicContact CB-CD2 4.25Å; A371-L396 HydrophobicContact CB-CD2 3.54Å
372Q92.8Very high92.1Very high132 Ų13245.5 Ų45.562%0.61726%0.257SS*.Hα-helixtrans-62.5-47.6174.6-76.2171.4-17.400110.7L368 A369 F374 N375 D376L368-Q372 WeakPolarHBondContact O-CB 3.44Å; L368-Q372 VanDerWaalsContact O-CG 3.3Å; L368-Q372 WeakPolarHBondContact O-CG 3.24Å; L368-Q372 PolarHBondContact O-N 3.24Å; A369-Q372 PolarHBondContact O-N 2.85Å; Q372-F374 VanDerWaalsContact C-N 3.33Å; Q372-F374 PolarHBondContact O-N 3.23Å; Q372-N375 PolarHBondContact O-N 3.43Å; Q372-N375 VanDerWaalsContact O-N 3.07Å; Q372-D376 WeakPolarHBondContact O-CB 3.21Å; Q372-D376 PolarHBondContact O-N 3.07Å
373K92.2Very high92.3Very high37 Ų3745.3 Ų45.316%0.16126%0.256CS..Hα-helixtrans-53.2-48.5176.1-162-168.1-170-1780112.3A369 N375 D379 C381 E635A369-K373 WeakPolarHBondContact O-CB 3.08Å; A369-K373 PolarHBondContact O-N 3.28Å; K373-N375 VanDerWaalsContact C-N 3.32Å; K373-N375 PolarHBondContact O-N 3.43Å; K373-D379 WeakPolarHBondContact CE-OD1 3.43Å; K373-D379 HydrophobicContact CG-CB 4.33Å; K373-D379 WeakPolarHBondContact CG-OD1 3.34Å; K373-D379 WeakPolarHBondContact CG-OD2 3.35Å; K373-C381 HydrophobicContact CD-CB 3.72Å; K373-C381 HydrophobicContact CG-CB 3.61Å; K373-E635 VanDerWaalsContact NZ-CD 3.31Å; K373-E635 IonicContact NZ-OE1 2.69Å; K373-E635 PolarHBondContact NZ-OE1 3.24Å; K373-E635 IonicContact NZ-OE2 2.93Å; K373-E635 PolarHBondContact NZ-OE2 3.35Å
374F94.3Very high92.5Very high16 Ų1645.2 Ų45.27%0.0726%0.256CS..Hα-helixtrans-68.1-28.7179175.2-104.3000113.9A356 Q370 A371 Q372 L384 L396 I398A356-F374 HydrophobicContact CB-CB 4.12Å; Q370-F374 PolarHBondContact O-N 3.44Å; Q370-F374 VanDerWaalsContact O-N 3.12Å; A371-F374 PolarHBondContact O-N 3.37Å; Q372-F374 VanDerWaalsContact C-N 3.33Å; Q372-F374 PolarHBondContact O-N 3.23Å; F374-L384 HydrophobicContact CD1-CB 4.41Å; F374-L384 HydrophobicContact CD1-CD2 4.38Å; F374-L384 HydrophobicContact CD2-CB 3.73Å; F374-L384 HydrophobicContact CE1-CB 4.41Å; F374-L384 HydrophobicContact CE1-CD2 4.48Å; F374-L384 HydrophobicContact CE2-CB 3.73Å; F374-L384 HydrophobicContact CG-CB 4.08Å; F374-L384 HydrophobicContact CZ-CB 4.08Å; F374-L396 HydrophobicContact CD1-CD2 4.15Å; F374-I398 HydrophobicContact CE1-CB 4.49Å; F374-I398 HydrophobicContact CE1-CG1 3.7Å; F374-I398 HydrophobicContact CZ-CG1 4.1Å
375N92.1Very high92.9Very high51 Ų5143.7 Ų43.727%0.27325%0.245SC..Hα-helixtrans-87.9-18.7-179-71.2-22.4000113.3A371 Q372 K373 P377 N395 S397A371-N375 WeakPolarHBondContact O-CB 3.45Å; A371-N375 PolarHBondContact O-N 2.92Å; A371-N375 VanDerWaalsContact O-N 3.09Å; A371-N375 PolarHBondContact O-ND2 2.9Å; Q372-N375 PolarHBondContact O-N 3.43Å; Q372-N375 VanDerWaalsContact O-N 3.07Å; K373-N375 VanDerWaalsContact C-N 3.32Å; K373-N375 PolarHBondContact O-N 3.43Å; N375-P377 VanDerWaalsContact O-CD 3.29Å; N375-P377 WeakPolarHBondContact O-CD 3.45Å; N375-N395 PolarHBondContact ND2-O 2.89Å; N375-S397 PolarHBondContact OD1-N 3.09Å
376D91.8Very high93.2Very high74 Ų7442.4 Ų42.440%0.39623%0.233SC..  trans-77.2114-177.9-171.6-7.9000110Q372 D378 D379Q372-D376 WeakPolarHBondContact O-CB 3.21Å; Q372-D376 PolarHBondContact O-N 3.07Å; D376-D378 PolarHBondContact O-N 3.35Å; D376-D378 PolarHBondContact OD1-N 2.83Å; D376-D379 HydrophobicContact CB-CB 3.96Å; D376-D379 PolarHBondContact O-N 3.12Å
377P87.5Confident93.3Very high123 Ų12342.8 Ų42.880%0.79924%0.235SC*.THydrogen-bonded Turntrans-64.9-20.7179-19.433.5000114.1N375N375-P377 VanDerWaalsContact O-CD 3.29Å; N375-P377 WeakPolarHBondContact O-CD 3.45Å
378D91.3Very high93.3Very high154 Ų15443.5 Ų43.582%0.82424%0.24SC*.THydrogen-bonded Turntrans-90.4-11.2-179.4-65.2-38.1000112.3D376D376-D378 PolarHBondContact O-N 3.35Å; D376-D378 PolarHBondContact OD1-N 2.83Å
379D91.9Very high93.2Very high49 Ų4941.2 Ų41.226%0.26223%0.231SC..SBendtrans-80.3140.8174-166.4-75.7000110.3K373 D376 C381K373-D379 WeakPolarHBondContact CE-OD1 3.43Å; K373-D379 HydrophobicContact CG-CB 4.33Å; K373-D379 WeakPolarHBondContact CG-OD1 3.34Å; K373-D379 WeakPolarHBondContact CG-OD2 3.35Å; D376-D379 HydrophobicContact CB-CB 3.96Å; D376-D379 PolarHBondContact O-N 3.12Å; D379-C381 PolarHBondContact O-N 3.49Å; D379-C381 VanDerWaalsContact O-N 3.1Å; D379-C381 WeakPolarHBondContact OD1-CB 3.41Å; D379-C381 PolarHBondContact OD1-N 3.3Å
380P91.2Very high93.2Very high86 Ų8640.4 Ų40.456%0.55823%0.225SC*.SBendtrans-61.2-16.9176.424.6-36.3000114.3N354 D382N354-P380 VanDerWaalsContact CB-O 3.26Å; N354-P380 WeakPolarHBondContact CB-O 3.37Å; N354-P380 PolarHBondContact ND2-O 2.89Å; P380-D382 PolarHBondContact O-N 3.39Å
381C92.8Very high92.8Very high5 Ų540.4 Ų40.43%0.03423%0.226CC..  trans-67.1114179-173.90000113.1A356 K373 D379A356-C381 WeakPolarHBondContact CB-SG 3.42Å; A356-C381 PolarHBondContact N-SG 2.86Å; K373-C381 HydrophobicContact CD-CB 3.72Å; K373-C381 HydrophobicContact CG-CB 3.61Å; D379-C381 PolarHBondContact O-N 3.49Å; D379-C381 VanDerWaalsContact O-N 3.1Å; D379-C381 WeakPolarHBondContact OD1-CB 3.41Å; D379-C381 PolarHBondContact OD1-N 3.3Å
382D93.6Very high92.5Very high38 Ų3842.4 Ų42.420%0.20324%0.235CC..  trans-119.7-12.4-174.664.5-21000114P329 G330 H353 N354 P380P329-D382 HydrophobicContact CB-CB 4.01Å; P329-D382 HydrophobicContact CG-CB 4.35Å; G330-D382 PolarHBondContact N-O 2.88Å; H353-D382 IonicContact CE1-OD2 3.6Å; H353-D382 IonicContact CG-OD1 3.67Å; H353-D382 IonicContact CG-OD2 3.48Å; H353-D382 IonicContact ND1-OD1 3.39Å; H353-D382 IonicContact ND1-OD2 3.48Å; H353-D382 PolarHBondContact ND1-OD2 3.1Å; N354-D382 PolarHBondContact N-OD1 3.18Å; N354-D382 PolarHBondContact O-N 2.94Å; N354-D382 VanDerWaalsContact O-N 3.07Å; P380-D382 PolarHBondContact O-N 3.39Å
383V96.6Very high91.9Very high0 Ų036.3 Ų36.30%021%0.207CC..EExtended strand (participates in β ladder)trans-128.6142-179.3-178.90000111.5V327 D331 V348 H353 N354 V355 A356V327-V383 HydrophobicContact CG1-CB 4.43Å; V327-V383 HydrophobicContact CG1-CG1 3.94Å; V327-V383 HydrophobicContact CG1-CG2 3.57Å; D331-V383 HydrophobicContact CB-CG1 4.44Å; V348-V383 HydrophobicContact CG1-CB 4.12Å; V348-V383 HydrophobicContact CG1-CG1 3.9Å; V348-V383 HydrophobicContact CG1-CG2 4.24Å; H353-V383 HydrophobicContact CB-CG2 3.88Å; N354-V383 PolarHBondContact O-N 3.19Å; V355-V383 CarbonylContact C-O 3.57Å; V355-V383 VanDerWaalsContact CA-O 3.3Å; V355-V383 WeakPolarHBondContact CA-O 3.3Å; V355-V383 HydrophobicContact CG2-CB 4.36Å; A356-V383 PolarHBondContact N-O 3.44Å
384L97Very high91.6Very high0 Ų034.9 Ų34.90%020%0.201CC..EExtended strand (participates in β ladder)trans-107.8134.5173.4179.262.7000110.5D331 C332 I333 A356 I358 F374 A386 I390 L396 I398D331-L384 PolarHBondContact O-N 3Å; C332-L384 CarbonylContact C-O 3.59Å; C332-L384 WeakPolarHBondContact CA-O 3.47Å; C332-L384 HydrophobicContact CB-CB 4.12Å; C332-L384 HydrophobicContact CB-CD2 4.31Å; C332-L384 HydrophobicContact CB-CG 4.45Å; I333-L384 PolarHBondContact N-O 2.81Å; A356-L384 HydrophobicContact CB-CD1 3.9Å; A356-L384 WeakPolarHBondContact O-CD1 3.22Å; I358-L384 HydrophobicContact CB-CD1 4.33Å; I358-L384 HydrophobicContact CD1-CD1 3.81Å; I358-L384 HydrophobicContact CD1-CD2 4.49Å; I358-L384 HydrophobicContact CG1-CD1 3.83Å; F374-L384 HydrophobicContact CD1-CB 4.41Å; F374-L384 HydrophobicContact CD1-CD2 4.38Å; F374-L384 HydrophobicContact CD2-CB 3.73Å; F374-L384 HydrophobicContact CE1-CB 4.41Å; F374-L384 HydrophobicContact CE1-CD2 4.48Å; F374-L384 HydrophobicContact CE2-CB 3.73Å; F374-L384 HydrophobicContact CG-CB 4.08Å; F374-L384 HydrophobicContact CZ-CB 4.08Å; L384-A386 HydrophobicContact CD1-CB 4.45Å; L384-A386 HydrophobicContact CG-CB 4.23Å; L384-I390 HydrophobicContact CD2-CG2 4.43Å; L384-L396 HydrophobicContact CD2-CD1 3.82Å; L384-L396 HydrophobicContact CD2-CD2 4.04Å; L384-L396 HydrophobicContact CD2-CG 4.48Å; L384-I398 HydrophobicContact CD2-CD1 4.17Å; L384-I398 HydrophobicContact CD2-CG1 4.44Å
385V97.3Very high91.1Very high0 Ų037.7 Ų37.70%022%0.217CC..EExtended strand (participates in β ladder)trans-119.8123.2167.3-175.80000108.4I333 V341 I344 A345 V348 V355 A356 M357 I358I333-V385 HydrophobicContact CB-CG2 4.37Å; I333-V385 WeakPolarHBondContact O-CA 3.25Å; V341-V385 HydrophobicContact CB-CG1 4.25Å; V341-V385 HydrophobicContact CG1-CB 4.31Å; V341-V385 HydrophobicContact CG1-CG1 3.81Å; I344-V385 HydrophobicContact CB-CG1 3.94Å; I344-V385 HydrophobicContact CG2-CG1 3.79Å; I344-V385 HydrophobicContact CG2-CG2 3.95Å; A345-V385 HydrophobicContact CB-CB 4.49Å; A345-V385 HydrophobicContact CB-CG2 4.42Å; V348-V385 HydrophobicContact CG2-CG2 4.5Å; V355-V385 HydrophobicContact CG1-CB 3.95Å; V355-V385 HydrophobicContact CG1-CG2 3.53Å; A356-V385 PolarHBondContact O-N 3.24Å; M357-V385 VanDerWaalsContact CA-O 3.31Å; M357-V385 WeakPolarHBondContact CA-O 3.49Å; I358-V385 PolarHBondContact N-O 3.41Å
386A96.8Very high91Very high0 Ų035.5 Ų35.50%021%0.205CC..EExtended strand (participates in β ladder)trans-147164.1-169.700000115.5I333 V334 A335 I358 L384 I390I333-A386 PolarHBondContact O-N 3.26Å; V334-A386 CarbonylContact C-O 3.5Å; V334-A386 VanDerWaalsContact CA-O 3.26Å; V334-A386 WeakPolarHBondContact CA-O 3.13Å; A335-A386 PolarHBondContact N-O 2.86Å; I358-A386 HydrophobicContact CB-CB 3.99Å; I358-A386 CarbonylContact O-C 3.25Å; I358-A386 WeakPolarHBondContact O-CA 3.43Å; I358-A386 VanDerWaalsContact O-CB 3.26Å; I358-A386 WeakPolarHBondContact O-CB 3.21Å; L384-A386 HydrophobicContact CD1-CB 4.45Å; L384-A386 HydrophobicContact CG-CB 4.23Å; A386-I390 HydrophobicContact CB-CD1 4.34Å; A386-I390 HydrophobicContact CB-CG1 4.47Å; A386-I390 HydrophobicContact CB-CG2 3.42Å; A386-I390 VanDerWaalsContact CB-CG2 3.42Å
387T95.3Very high90.9Very high7 Ų732.8 Ų32.84%0.04319%0.192CC..  trans-90.9-179.3166.179.90000112.5A335 V341 I358 A389 I390A335-T387 WeakPolarHBondContact O-CA 3.47Å; A335-T387 WeakPolarHBondContact O-CB 3.47Å; A335-T387 WeakPolarHBondContact O-CG2 3.42Å; V341-T387 HydrophobicContact CG2-CG2 3.58Å; I358-T387 PolarHBondContact O-N 2.6Å; T387-A389 PolarHBondContact O-N 3.36Å; T387-A389 WeakPolarHBondContact OG1-CB 3.27Å; T387-A389 PolarHBondContact OG1-N 3.27Å; T387-I390 WeakPolarHBondContact O-CG1 3.35Å; T387-I390 PolarHBondContact O-N 3.39Å
388D92.4Very high91.3Very high48 Ų4827 Ų2726%0.25715%0.154SC..G310 helixtrans-51.5-10.516854.7-13.1000114.4F336 I390 G391 K408 I430F336-D388 HydrophobicContact CD1-CB 4.19Å; F336-D388 HydrophobicContact CE1-CB 4.23Å; D388-I390 PolarHBondContact O-N 2.75Å; D388-G391 WeakPolarHBondContact O-CA 3.42Å; D388-G391 PolarHBondContact O-N 2.78Å; D388-K408 IonicContact OD2-NZ 3.97Å; D388-K408 PolarHBondContact OD2-NZ 2.81Å; D388-I430 HydrophobicContact CB-CD1 3.87Å
389A90.7Very high91.4Very high22 Ų2222.7 Ų22.718%0.18213%0.129CC..G310 helixtrans-56.9-28.8171.800000113.9T387 G391T387-A389 PolarHBondContact O-N 3.36Å; T387-A389 WeakPolarHBondContact OG1-CB 3.27Å; T387-A389 PolarHBondContact OG1-N 3.27Å; A389-G391 PolarHBondContact O-N 2.7Å
390I91.9Very high91.7Very high0 Ų021 Ų210%012%0.118CC..G310 helixtrans-72.1-1317565.8168.4000112.9C332 V334 I358 L384 A386 T387 D388 M392 L394 L396 I398 R433C332-I390 VanDerWaalsContact SG-CD1 3.55Å; V334-I390 HydrophobicContact CG2-CD1 3.96Å; I358-I390 HydrophobicContact CB-CG2 4.17Å; I358-I390 HydrophobicContact CG2-CG2 3.88Å; L384-I390 HydrophobicContact CD2-CG2 4.43Å; A386-I390 HydrophobicContact CB-CD1 4.34Å; A386-I390 HydrophobicContact CB-CG1 4.47Å; A386-I390 HydrophobicContact CB-CG2 3.42Å; A386-I390 VanDerWaalsContact CB-CG2 3.42Å; T387-I390 WeakPolarHBondContact O-CG1 3.35Å; T387-I390 PolarHBondContact O-N 3.39Å; D388-I390 PolarHBondContact O-N 2.75Å; I390-M392 PolarHBondContact O-N 2.82Å; I390-M392 VanDerWaalsContact O-N 3.08Å; I390-L394 HydrophobicContact CG2-CD1 4.46Å; I390-L396 HydrophobicContact CB-CD1 3.83Å; I390-L396 HydrophobicContact CG2-CD1 3.71Å; I390-I398 HydrophobicContact CD1-CD1 4.18Å; I390-R433 WeakPolarHBondContact O-CD 3.34Å; I390-R433 PolarHBondContact O-NE 3.4Å
391G86.8Confident92Very high3 Ų316.9 Ų16.93%0.0319%0.092CC..G310 helixtrans-59.2-19.8178.300000112.3D388 A389 Q429 R433D388-G391 WeakPolarHBondContact O-CA 3.42Å; D388-G391 PolarHBondContact O-N 2.78Å; A389-G391 PolarHBondContact O-N 2.7Å; G391-Q429 VanDerWaalsContact O-CD 3.31Å; G391-Q429 WeakPolarHBondContact O-CG 3.22Å; G391-Q429 PolarHBondContact O-NE2 2.97Å; G391-R433 PolarHBondContact O-NE 2.94Å; G391-R433 PolarHBondContact O-NH2 2.91Å
392M85.7Confident92.2Very high46 Ų4616.7 Ų16.723%0.2279%0.09CC..SBendtrans-148.6152.8-179.849.8173.874.100112.1L197 M258 I390 L394L197-M392 HydrophobicContact CD1-CB 4.04Å; L197-M392 HydrophobicContact CD1-CG 3.46Å; L197-M392 VanDerWaalsContact CD1-CG 3.46Å; L197-M392 HydrophobicContact CD1-SD 3.51Å; L197-M392 VanDerWaalsContact CD1-SD 3.51Å; L197-M392 HydrophobicContact CD2-SD 4.18Å; L197-M392 HydrophobicContact CG-CG 4.38Å; L197-M392 HydrophobicContact CG-SD 3.8Å; M258-M392 HydrophobicContact SD-CE 4.5Å; I390-M392 PolarHBondContact O-N 2.82Å; I390-M392 VanDerWaalsContact O-N 3.08Å; M392-L394 VanDerWaalsContact C-N 3.35Å; M392-L394 PolarHBondContact O-N 3.18Å
393G81.4Confident92.4Very high3 Ų314.9 Ų14.93%0.0318%0.081CC..SBendtrans6915.8166.600000119.2L199 L200L199-G393 WeakPolarHBondContact CB-O 3.42Å; L200-G393 VanDerWaalsContact CG-CA 3.49Å
394L85.4Confident92.4Very high7 Ų715.4 Ų15.44%0.0378%0.083CC..  trans-130.2134.9172.4-68.5168.3000111.8L199 I358 K367 L368 A371 I390 M392 L396 R433L199-L394 HydrophobicContact CD1-CD2 3.87Å; L199-L394 HydrophobicContact CD1-CG 4.31Å; I358-L394 HydrophobicContact CD1-CD1 3.91Å; I358-L394 HydrophobicContact CG2-CD1 3.71Å; K367-L394 HydrophobicContact CB-CD2 4.22Å; L368-L394 HydrophobicContact CD2-CD2 4.18Å; A371-L394 HydrophobicContact CB-CD2 4.25Å; I390-L394 HydrophobicContact CG2-CD1 4.46Å; M392-L394 VanDerWaalsContact C-N 3.35Å; M392-L394 PolarHBondContact O-N 3.18Å; L394-L396 HydrophobicContact CB-CD1 4.08Å; L394-L396 HydrophobicContact CB-CG 4.05Å; L394-L396 PolarHBondContact O-N 3.18Å; L394-R433 PolarHBondContact O-NH1 3.48Å
395N83.9Confident92.3Very high76 Ų7616 Ų1641%0.4069%0.087SC..  trans-81.3101.1167.2179.82.8000108.8N375 R436N375-N395 PolarHBondContact ND2-O 2.89Å; N395-R436 VanDerWaalsContact CG-NH2 3.33Å; N395-R436 PolarHBondContact OD1-NE 2.65Å; N395-R436 PolarHBondContact OD1-NH1 3.44Å; N395-R436 PolarHBondContact OD1-NH2 2.81Å
396L89.5Confident92.1Very high4 Ų416 Ų162%0.0219%0.087CC..  trans-121.6138.3176.9-62.9165.6000109.8I358 A371 F374 L384 I390 L394 I398 R436I358-L396 HydrophobicContact CD1-CD2 4.19Å; A371-L396 HydrophobicContact CB-CD2 3.54Å; F374-L396 HydrophobicContact CD1-CD2 4.15Å; L384-L396 HydrophobicContact CD2-CD1 3.82Å; L384-L396 HydrophobicContact CD2-CD2 4.04Å; L384-L396 HydrophobicContact CD2-CG 4.48Å; I390-L396 HydrophobicContact CB-CD1 3.83Å; I390-L396 HydrophobicContact CG2-CD1 3.71Å; L394-L396 HydrophobicContact CB-CD1 4.08Å; L394-L396 HydrophobicContact CB-CG 4.05Å; L394-L396 PolarHBondContact O-N 3.18Å; L396-I398 HydrophobicContact CB-CD1 3.96Å; L396-I398 HydrophobicContact CB-CG1 3.98Å; L396-I398 HydrophobicContact CD1-CD1 4.11Å; L396-R436 PolarHBondContact O-NH1 2.93Å
397S90.7Very high91.8Very high18 Ų1817.1 Ų17.113%0.1269%0.094CC..  trans-102.173.4173.3-174.70000109.4N375 T439 H441N375-S397 PolarHBondContact OD1-N 3.09Å; S397-T439 WeakPolarHBondContact OG-CB 3.44Å; S397-T439 PolarHBondContact OG-OG1 2.72Å; S397-T439 VanDerWaalsContact OG-OG1 3.07Å; S397-H441 PolarHBondContact O-CD2 3.21Å
398I94.4Very high91.4Very high0 Ų019.8 Ų19.80%011%0.105CC..BIsolated β-bridgetrans-88.6132.5-178.3-61.5162.9000109.4C332 F374 L384 I390 L396 V401 R433 A434 G435C332-I398 HydrophobicContact CB-CB 4.39Å; C332-I398 HydrophobicContact CB-CD1 3.75Å; C332-I398 HydrophobicContact CB-CG1 3.94Å; C332-I398 HydrophobicContact CB-CG2 3.54Å; F374-I398 HydrophobicContact CE1-CB 4.49Å; F374-I398 HydrophobicContact CE1-CG1 3.7Å; F374-I398 HydrophobicContact CZ-CG1 4.1Å; L384-I398 HydrophobicContact CD2-CD1 4.17Å; L384-I398 HydrophobicContact CD2-CG1 4.44Å; I390-I398 HydrophobicContact CD1-CD1 4.18Å; L396-I398 HydrophobicContact CB-CD1 3.96Å; L396-I398 HydrophobicContact CB-CG1 3.98Å; L396-I398 HydrophobicContact CD1-CD1 4.11Å; I398-V401 HydrophobicContact CD1-CG2 4.49Å; I398-V401 HydrophobicContact CG2-CG2 3.75Å; I398-R433 HydrophobicContact CD1-CB 4.08Å; I398-A434 CarbonylContact O-C 3.52Å; I398-A434 WeakPolarHBondContact O-CA 3.46Å; I398-G435 PolarHBondContact O-N 3.46Å
399K94.9Very high91Very high65 Ų6520.5 Ų20.528%0.28311%0.112SC..SBendtrans-80-53.5172-176-175.4171.9-168.60111.2G330 H441 G444 Q445G330-K399 WeakPolarHBondContact O-CB 3.33Å; G330-K399 PolarHBondContact O-N 3.44Å; K399-H441 HydrophobicContact CB-CB 4.32Å; K399-G444 WeakPolarHBondContact O-CA 3.37Å; K399-Q445 PolarHBondContact O-N 3.01Å
400R96.7Very high90.2Very high13 Ų1321 Ų215%0.04911%0.113CC..EExtended strand (participates in β ladder)trans-133125.5-174.3177.3174.766.3166.65.8111.4M317 A326 G330 D331 C332 I402 Q445 T447M317-R400 VanDerWaalsContact SD-CD 3.52Å; M317-R400 HydrophobicContact SD-CG 4.39Å; A326-R400 PolarHBondContact O-NH2 3.35Å; G330-R400 PolarHBondContact O-N 3.13Å; D331-R400 CarbonylContact C-O 3.46Å; D331-R400 WeakPolarHBondContact CA-O 3.43Å; D331-R400 WeakPolarHBondContact OD1-CB 3.35Å; D331-R400 IonicContact OD1-CZ 2.78Å; D331-R400 IonicContact OD1-NE 3.82Å; D331-R400 PolarHBondContact OD1-NE 3.42Å; D331-R400 IonicContact OD1-NH2 3.79Å; D331-R400 PolarHBondContact OD1-NH2 2.99Å; D331-R400 IonicContact OD2-CZ 3.5Å; D331-R400 IonicContact OD2-NE 3.89Å; D331-R400 PolarHBondContact OD2-NE 3.46Å; D331-R400 IonicContact OD2-NH2 2.74Å; D331-R400 PolarHBondContact OD2-NH2 3.14Å; C332-R400 PolarHBondContact N-O 3.39Å; R400-I402 HydrophobicContact CG-CG1 4.15Å; R400-Q445 CarbonylContact C-O 3.59Å; R400-Q445 WeakPolarHBondContact CA-O 3.38Å; R400-Q445 HydrophobicContact CB-CB 4.05Å; R400-Q445 HydrophobicContact CG-CB 3.94Å; R400-T447 HydrophobicContact CG-CG2 4.48Å
401V97.6Very high89.3Confident0 Ų026.4 Ų26.40%014%0.142CC..EExtended strand (participates in β ladder)trans-95.3126.1174.1169.70000109.4C332 V334 I398 F403 I430 A434 Q445 V446 T447C332-V401 HydrophobicContact CB-CG2 4.49Å; C332-V401 CarbonylContact O-C 3.58Å; C332-V401 WeakPolarHBondContact O-CA 3.07Å; V334-V401 HydrophobicContact CG2-CG1 3.95Å; I398-V401 HydrophobicContact CD1-CG2 4.49Å; I398-V401 HydrophobicContact CG2-CG2 3.75Å; V401-F403 HydrophobicContact CG1-CD2 4.38Å; V401-F403 HydrophobicContact CG1-CE2 4.04Å; V401-F403 HydrophobicContact CG1-CZ 4.49Å; V401-I430 HydrophobicContact CG1-CG2 4.17Å; V401-A434 HydrophobicContact CB-CB 4.32Å; V401-A434 HydrophobicContact CG2-CB 3.82Å; V401-Q445 PolarHBondContact N-O 3.27Å; V401-V446 HydrophobicContact CB-CG2 4.18Å; V401-V446 HydrophobicContact CG1-CG2 4.23Å; V401-V446 CarbonylContact O-C 3.59Å; V401-V446 VanDerWaalsContact O-CA 3.28Å; V401-V446 WeakPolarHBondContact O-CA 3.43Å; V401-V446 WeakPolarHBondContact O-CG2 3.49Å; V401-T447 PolarHBondContact O-N 2.94Å
402I98.2Very high88.3Confident0 Ų028.6 Ų28.60%015%0.153CC..EExtended strand (participates in β ladder)trans-117116.1-179.4-60.2151.9000108.5I321 D331 C332 I333 V334 R400 N404 T447 L449I321-I402 HydrophobicContact CD1-CD1 3.8Å; I321-I402 HydrophobicContact CD1-CG1 4.34Å; I321-I402 HydrophobicContact CD1-CG2 3.87Å; I321-I402 HydrophobicContact CG1-CG2 4.14Å; D331-I402 HydrophobicContact CB-CD1 3.98Å; D331-I402 WeakPolarHBondContact OD2-CD1 3.23Å; C332-I402 PolarHBondContact O-N 3.35Å; I333-I402 CarbonylContact C-O 3.52Å; I333-I402 WeakPolarHBondContact CA-O 3.35Å; I333-I402 HydrophobicContact CG1-CB 4.37Å; I333-I402 HydrophobicContact CG1-CD1 4.23Å; V334-I402 PolarHBondContact N-O 2.79Å; R400-I402 HydrophobicContact CG-CG1 4.15Å; I402-N404 PolarHBondContact O-N 3.29Å; I402-T447 WeakPolarHBondContact CA-O 3.4Å; I402-T447 HydrophobicContact CG1-CG2 3.85Å; I402-L449 HydrophobicContact CG2-CB 4.22Å
403F98.1Very high87Confident0 Ų032.2 Ų32.20%017%0.169CC..EExtended strand (participates in β ladder)trans-77.9119.8171.5-71.8-90.9000110V334 F336 V401 S405 L406 I422 I430 A431 V446 T447 T448 L449 L457V334-F403 HydrophobicContact CB-CD1 4.4Å; F336-F403 HydrophobicContact CZ-CD1 4.13Å; F336-F403 HydrophobicContact CZ-CE1 4.2Å; V401-F403 HydrophobicContact CG1-CD2 4.38Å; V401-F403 HydrophobicContact CG1-CE2 4.04Å; V401-F403 HydrophobicContact CG1-CZ 4.49Å; F403-S405 VanDerWaalsContact C-N 3.3Å; F403-L406 HydrophobicContact CB-CD2 3.97Å; F403-L406 HydrophobicContact CB-CG 4.41Å; F403-L406 HydrophobicContact CD1-CD2 3.73Å; F403-L406 HydrophobicContact CD2-CD2 4.29Å; F403-L406 HydrophobicContact CE1-CD2 4.27Å; F403-L406 HydrophobicContact CG-CD2 3.73Å; F403-I422 HydrophobicContact CD1-CD1 4.29Å; F403-I422 HydrophobicContact CE1-CD1 3.83Å; F403-I430 HydrophobicContact CE1-CB 4.21Å; F403-I430 HydrophobicContact CE1-CD1 4.21Å; F403-I430 HydrophobicContact CE1-CG2 3.79Å; F403-I430 HydrophobicContact CZ-CB 3.93Å; F403-I430 HydrophobicContact CZ-CG2 3.62Å; F403-A431 HydrophobicContact CE2-CB 4.3Å; F403-V446 HydrophobicContact CD2-CG2 4.12Å; F403-V446 HydrophobicContact CE2-CG2 3.77Å; F403-T447 PolarHBondContact N-O 3.01Å; F403-T448 HydrophobicContact CB-CG2 4.34Å; F403-T448 WeakPolarHBondContact O-CA 3.46Å; F403-L449 PolarHBondContact O-N 3.19Å; F403-L457 HydrophobicContact CD2-CD1 3.79Å; F403-L457 HydrophobicContact CD2-CD2 4.26Å; F403-L457 HydrophobicContact CE2-CD1 3.73Å
404N96.4Very high85.7Confident11 Ų1134.9 Ų34.96%0.05919%0.191CC..SBendtrans-67.8-34.3172169.774.1000111.7I333 V334 A335 I344 I402 L449I333-N404 HydrophobicContact CG2-CB 4.02Å; V334-N404 VanDerWaalsContact O-CB 3.3Å; V334-N404 WeakPolarHBondContact O-CB 3.4Å; V334-N404 PolarHBondContact O-N 3.32Å; A335-N404 HydrophobicContact CB-CB 4.3Å; I344-N404 HydrophobicContact CD1-CB 3.73Å; I344-N404 VanDerWaalsContact CD1-CG 3.41Å; I402-N404 PolarHBondContact O-N 3.29Å; N404-L449 WeakPolarHBondContact OD1-CD2 3.43Å
405S93.4Very high84.7Confident12 Ų1237 Ų378%0.08421%0.214CC..  trans-154.4156.6173.4-175.90000108.5F336 F403 V407F336-S405 WeakPolarHBondContact CE2-O 3.26Å; F403-S405 VanDerWaalsContact C-N 3.3Å; S405-V407 WeakPolarHBondContact OG-CG2 3.46Å; S405-V407 PolarHBondContact OG-N 3.23Å
406L93.2Very high84.3Confident0 Ų038.1 Ų38.10%022%0.22CC..SBendtrans-106.75.1172.6-69.1170.2000113.5F403 P421 I422 T448 D453 L456 L457F403-L406 HydrophobicContact CB-CD2 3.97Å; F403-L406 HydrophobicContact CB-CG 4.41Å; F403-L406 HydrophobicContact CD1-CD2 3.73Å; F403-L406 HydrophobicContact CD2-CD2 4.29Å; F403-L406 HydrophobicContact CE1-CD2 4.27Å; F403-L406 HydrophobicContact CG-CD2 3.73Å; L406-P421 CarbonylContact O-C 3.55Å; L406-P421 WeakPolarHBondContact O-CA 3.39Å; L406-I422 HydrophobicContact CD2-CD1 3.6Å; L406-I422 HydrophobicContact CD2-CG1 4.16Å; L406-I422 PolarHBondContact O-N 3.23Å; L406-T448 HydrophobicContact CD1-CG2 4.35Å; L406-D453 HydrophobicContact CD1-CB 3.81Å; L406-D453 WeakPolarHBondContact CD1-O 3.21Å; L406-D453 HydrophobicContact CG-CB 4.18Å; L406-L456 HydrophobicContact CB-CD2 3.9Å; L406-L456 HydrophobicContact CD1-CB 3.9Å; L406-L456 HydrophobicContact CD1-CD2 4.04Å; L406-L456 HydrophobicContact CD1-CG 3.91Å; L406-L457 HydrophobicContact CD1-CB 3.83Å; L406-L457 HydrophobicContact CD2-CD1 4.17Å
407V91.1Very high83.8Confident24 Ų2445.2 Ų45.215%0.14525%0.251CS..EExtended strand (participates in β ladder)trans-108.6137.3177.6-72.70000111S405 E420 V651S405-V407 WeakPolarHBondContact OG-CG2 3.46Å; S405-V407 PolarHBondContact OG-N 3.23Å; V407-E420 CarbonylContact C-O 3.58Å; V407-E420 VanDerWaalsContact CA-O 3.29Å; V407-E420 WeakPolarHBondContact CA-O 3.17Å; V407-V651 HydrophobicContact CG2-CG1 3.61Å
408K86.4Confident83.5Confident63 Ų6348.7 Ų48.727%0.27427%0.265SS..EExtended strand (participates in β ladder)trans-111.8146.3176.3-170.5168.1-176.4169.50109.2F336 D388 S410 E420 I422F336-K408 HydrophobicContact CB-CD 4.45Å; F336-K408 HydrophobicContact CB-CG 4.18Å; D388-K408 IonicContact OD2-NZ 3.97Å; D388-K408 PolarHBondContact OD2-NZ 2.81Å; K408-S410 PolarHBondContact O-N 2.93Å; K408-E420 PolarHBondContact N-O 2.94Å; K408-E420 PolarHBondContact O-N 3.4Å; K408-I422 HydrophobicContact CB-CG2 4.49Å
409V83.6Confident83Confident64 Ų6452.1 Ų52.139%0.38828%0.283SS..EExtended strand (participates in β ladder)trans-78.9105.5169.8-175.90000107.7K417 E418 L419 V651V409-K417 HydrophobicContact CG1-CB 3.84Å; V409-K417 HydrophobicContact CG1-CD 4.06Å; V409-K417 HydrophobicContact CG1-CG 3.94Å; V409-E418 CarbonylContact C-O 3.5Å; V409-E418 WeakPolarHBondContact CA-O 3.45Å; V409-L419 HydrophobicContact CG2-CD2 3.75Å; V409-V651 HydrophobicContact CG2-CG2 3.87Å
410S75.9Confident82.7Confident31 Ų3152.4 Ų52.422%0.21729%0.285CS..EExtended strand (participates in β ladder)trans-95.6160.2169.9-66.80000109.6K408 K417 E418 E420K408-S410 PolarHBondContact O-N 2.93Å; S410-K417 WeakPolarHBondContact O-CA 3.15Å; S410-E418 PolarHBondContact N-O 3.49Å; S410-E418 PolarHBondContact O-N 2.95Å; S410-E420 WeakPolarHBondContact CB-OE2 3.08Å; S410-E420 PolarHBondContact OG-OE2 2.98Å
411L72.8Confident82.5Confident114 Ų11455.4 Ų55.460%0.59731%0.307SS*.EExtended strand (participates in β ladder)trans-95.6126.2165-66.9171.6000107.3D416 K417L411-D416 WeakPolarHBondContact CA-O 3.16Å; L411-K417 HydrophobicContact CD2-CG 4.07Å
412N65.3Low82.2Confident50 Ų5055.7 Ų55.727%0.26731%0.308SS..  trans-80.9178.5175.565.314.2000111.4A414 G415 D416 E418N412-A414 PolarHBondContact O-N 2.82Å; N412-A414 VanDerWaalsContact O-N 3.08Å; N412-A414 PolarHBondContact OD1-N 3.27Å; N412-G415 PolarHBondContact O-N 3.41Å; N412-G415 PolarHBondContact OD1-N 2.93Å; N412-D416 VanDerWaalsContact CG-O 3.26Å; N412-D416 PolarHBondContact N-O 2.83Å; N412-D416 VanDerWaalsContact OD1-CA 3.31Å; N412-D416 WeakPolarHBondContact OD1-CA 3.11Å; N412-D416 VanDerWaalsContact OD1-CB 3.32Å; N412-D416 WeakPolarHBondContact OD1-CB 3.3Å; N412-D416 PolarHBondContact OD1-N 3.5Å; N412-D416 PolarHBondContact OD1-O 2.96Å; N412-E418 HydrophobicContact CB-CB 4.02Å; N412-E418 WeakPolarHBondContact CB-OE2 3.35Å
413E57.1Low82Confident122 Ų12258.1 Ų58.157%0.5732%0.323SS*.THydrogen-bonded Turntrans-56.9-27-176.2-60.8-169.518000114R19 G415R19-E413 IonicContact NH1-OE2 2.71Å; E413-G415 VanDerWaalsContact C-N 3.33Å
414A55.7Low81.8Confident59 Ų5958.8 Ų58.849%0.48833%0.327SS..THydrogen-bonded Turntrans-84.4-5.5178.400000113.5N412 D416N412-A414 PolarHBondContact O-N 2.82Å; N412-A414 VanDerWaalsContact O-N 3.08Å; N412-A414 PolarHBondContact OD1-N 3.27Å; A414-D416 VanDerWaalsContact C-N 3.28Å
415G63.7Low81.6Confident50 Ų5058.8 Ų58.852%0.51533%0.328SS..SBendtrans80.77.2-171.700000113.9N412 E413N412-G415 PolarHBondContact O-N 3.41Å; N412-G415 PolarHBondContact OD1-N 2.93Å; E413-G415 VanDerWaalsContact C-N 3.33Å
416D75.3Confident81.5Confident100 Ų10061.3 Ų61.354%0.53534%0.338SS..  trans-80.3152.5173.8-62-43.9000110.6L411 N412 A414 E418L411-D416 WeakPolarHBondContact CA-O 3.16Å; N412-D416 VanDerWaalsContact CG-O 3.26Å; N412-D416 PolarHBondContact N-O 2.83Å; N412-D416 VanDerWaalsContact OD1-CA 3.31Å; N412-D416 WeakPolarHBondContact OD1-CA 3.11Å; N412-D416 VanDerWaalsContact OD1-CB 3.32Å; N412-D416 WeakPolarHBondContact OD1-CB 3.3Å; N412-D416 PolarHBondContact OD1-N 3.5Å; N412-D416 PolarHBondContact OD1-O 2.96Å; A414-D416 VanDerWaalsContact C-N 3.28Å; D416-E418 PolarHBondContact O-N 2.84Å
417K79.2Confident81.7Confident154 Ų15461.3 Ų61.367%0.6734%0.338SS*.EExtended strand (participates in β ladder)trans-76.9117.7176.4-68.9179.3-179.5-179.20109.8V409 S410 L411V409-K417 HydrophobicContact CG1-CB 3.84Å; V409-K417 HydrophobicContact CG1-CD 4.06Å; V409-K417 HydrophobicContact CG1-CG 3.94Å; S410-K417 WeakPolarHBondContact O-CA 3.15Å; L411-K417 HydrophobicContact CD2-CG 4.07Å
418E83.9Confident81.8Confident91 Ų9162.9 Ų62.943%0.42535%0.345SS..EExtended strand (participates in β ladder)trans-112.3146.8174.1-174161.7-166.200110.6V409 S410 N412 D416 E420V409-E418 CarbonylContact C-O 3.5Å; V409-E418 WeakPolarHBondContact CA-O 3.45Å; S410-E418 PolarHBondContact N-O 3.49Å; S410-E418 PolarHBondContact O-N 2.95Å; N412-E418 HydrophobicContact CB-CB 4.02Å; N412-E418 WeakPolarHBondContact CB-OE2 3.35Å; D416-E418 PolarHBondContact O-N 2.84Å; E418-E420 HydrophobicContact CG-CG 4.34Å
419L85.4Confident82.1Confident72 Ų7261.3 Ų61.338%0.37734%0.339SS..EExtended strand (participates in β ladder)trans-97.1113.3175.4-64177.5000108.4V409 V651V409-L419 HydrophobicContact CG2-CD2 3.75Å; L419-V651 HydrophobicContact CD1-CG1 4.23Å; L419-V651 HydrophobicContact CD2-CG1 4.12Å; L419-V651 HydrophobicContact CD2-CG2 3.99Å
420E88Confident82.6Confident70 Ų7058.4 Ų58.433%0.32732%0.321SS..EExtended strand (participates in β ladder)trans-115.9140.6178.1-66.7-177.2145.300110.3V407 K408 S410 E418V407-E420 CarbonylContact C-O 3.58Å; V407-E420 VanDerWaalsContact CA-O 3.29Å; V407-E420 WeakPolarHBondContact CA-O 3.17Å; K408-E420 PolarHBondContact N-O 2.94Å; K408-E420 PolarHBondContact O-N 3.4Å; S410-E420 WeakPolarHBondContact CB-OE2 3.08Å; S410-E420 PolarHBondContact OG-OE2 2.98Å; E418-E420 HydrophobicContact CG-CG 4.34Å
421P91.3Very high83.5Confident77 Ų7756.9 Ų56.950%0.531%0.311SS..EExtended strand (participates in β ladder)trans-63.5147.1169.329.2-34.2000110.5L406 L456L406-P421 CarbonylContact O-C 3.55Å; L406-P421 WeakPolarHBondContact O-CA 3.39Å; P421-L456 HydrophobicContact CB-CD2 4.14Å
422I93.2Very high84.4Confident6 Ų651.7 Ų51.73%0.03129%0.285CS..PPolyproline II helixtrans-62.6153.1173.164.1177000111.6F336 F403 L406 K408 A427 L460F336-I422 HydrophobicContact CD2-CG2 4.19Å; F336-I422 HydrophobicContact CE1-CG2 3.94Å; F336-I422 HydrophobicContact CE2-CD1 4.44Å; F336-I422 HydrophobicContact CE2-CG2 3.49Å; F336-I422 VanDerWaalsContact CE2-CG2 3.49Å; F336-I422 HydrophobicContact CZ-CB 4.48Å; F336-I422 HydrophobicContact CZ-CD1 3.84Å; F336-I422 HydrophobicContact CZ-CG2 3.4Å; F403-I422 HydrophobicContact CD1-CD1 4.29Å; F403-I422 HydrophobicContact CE1-CD1 3.83Å; L406-I422 HydrophobicContact CD2-CD1 3.6Å; L406-I422 HydrophobicContact CD2-CG1 4.16Å; L406-I422 PolarHBondContact O-N 3.23Å; K408-I422 HydrophobicContact CB-CG2 4.49Å; I422-A427 HydrophobicContact CD1-CB 3.89Å; I422-A427 HydrophobicContact CG1-CB 4.37Å; I422-L460 HydrophobicContact CG1-CD1 3.96Å
423T92.3Very high85.7Confident51 Ų5151.4 Ų51.431%0.31328%0.28SS..PPolyproline II helixtrans-73155.6177.863.30000112S425 Q426 A427T423-S425 VanDerWaalsContact C-N 3.3Å; T423-S425 PolarHBondContact O-N 3.13Å; T423-Q426 VanDerWaalsContact N-OE1 3.11Å; T423-Q426 PolarHBondContact O-N 2.76Å; T423-Q426 WeakPolarHBondContact OG1-CB 3.46Å; T423-Q426 VanDerWaalsContact OG1-CG 3.27Å; T423-Q426 WeakPolarHBondContact OG1-CG 3.31Å; T423-Q426 PolarHBondContact OG1-N 3.38Å; T423-Q426 PolarHBondContact OG1-OE1 3.13Å; T423-A427 PolarHBondContact O-N 3.19Å
424T93.8Very high87.4Confident13 Ų1345.6 Ų45.68%0.0825%0.253CS..Hα-helixtrans-54.6-43.6173.1-68.60000112.3Q426 A427 L428 L460 R463T424-Q426 PolarHBondContact O-N 3.07Å; T424-A427 PolarHBondContact O-N 2.89Å; T424-L428 HydrophobicContact CG2-CD1 3.64Å; T424-L428 HydrophobicContact CG2-CG 4.32Å; T424-L428 WeakPolarHBondContact O-CB 3.38Å; T424-L428 VanDerWaalsContact O-CG 3.3Å; T424-L428 WeakPolarHBondContact O-CG 3.48Å; T424-L428 PolarHBondContact O-N 3.06Å; T424-L460 VanDerWaalsContact CG2-O 3.31Å; T424-L460 WeakPolarHBondContact CG2-O 3.37Å; T424-R463 HydrophobicContact CG2-CB 4.13Å
425S92.2Very high89Confident11 Ų1142.9 Ų42.98%0.07723%0.23CC..Hα-helixtrans-63-43.1178.31800000111.9R260 E285 T423 L428 Q429R260-S425 PolarHBondContact NH2-OG 2.79Å; E285-S425 PolarHBondContact OE2-OG 2.89Å; T423-S425 VanDerWaalsContact C-N 3.3Å; T423-S425 PolarHBondContact O-N 3.13Å; S425-L428 PolarHBondContact O-N 3.46Å; S425-Q429 VanDerWaalsContact O-CB 3.27Å; S425-Q429 WeakPolarHBondContact O-CB 3.31Å; S425-Q429 PolarHBondContact O-N 2.62Å
426Q93.1Very high89.9Confident66 Ų6643.7 Ų43.731%0.30822%0.218SC..Hα-helixtrans-62.9-44.5174.6-75.7167.5-39.500112.3T423 T424 L428 Q429 I430T423-Q426 VanDerWaalsContact N-OE1 3.11Å; T423-Q426 PolarHBondContact O-N 2.76Å; T423-Q426 WeakPolarHBondContact OG1-CB 3.46Å; T423-Q426 VanDerWaalsContact OG1-CG 3.27Å; T423-Q426 WeakPolarHBondContact OG1-CG 3.31Å; T423-Q426 PolarHBondContact OG1-N 3.38Å; T423-Q426 PolarHBondContact OG1-OE1 3.13Å; T424-Q426 PolarHBondContact O-N 3.07Å; Q426-L428 PolarHBondContact O-N 2.83Å; Q426-Q429 PolarHBondContact O-N 2.73Å; Q426-I430 WeakPolarHBondContact O-CB 3.44Å; Q426-I430 VanDerWaalsContact O-CG1 3.29Å; Q426-I430 WeakPolarHBondContact O-CG1 3.42Å; Q426-I430 PolarHBondContact O-N 3.27Å
427A95.5Very high90Very high0 Ų046.6 Ų46.60%022%0.222CC..Hα-helixtrans-59-46.9177.400000111.1I422 T423 T424 I430 A431 L460 L461I422-A427 HydrophobicContact CD1-CB 3.89Å; I422-A427 HydrophobicContact CG1-CB 4.37Å; T423-A427 PolarHBondContact O-N 3.19Å; T424-A427 PolarHBondContact O-N 2.89Å; A427-I430 PolarHBondContact O-N 3.23Å; A427-A431 WeakPolarHBondContact O-CB 3.27Å; A427-A431 PolarHBondContact O-N 2.98Å; A427-L460 HydrophobicContact CB-CB 4.16Å; A427-L460 HydrophobicContact CB-CD1 4.31Å; A427-L461 HydrophobicContact CB-CD2 4.18Å
428L93.8Very high89.9Confident56 Ų5642.9 Ų42.929%0.29323%0.228SC..Hα-helixtrans-64.6-41.8177.3-72.2165.4000112.5T424 S425 Q426 I430 G432 L461 P465T424-L428 HydrophobicContact CG2-CD1 3.64Å; T424-L428 HydrophobicContact CG2-CG 4.32Å; T424-L428 WeakPolarHBondContact O-CB 3.38Å; T424-L428 VanDerWaalsContact O-CG 3.3Å; T424-L428 WeakPolarHBondContact O-CG 3.48Å; T424-L428 PolarHBondContact O-N 3.06Å; S425-L428 PolarHBondContact O-N 3.46Å; Q426-L428 PolarHBondContact O-N 2.83Å; L428-I430 VanDerWaalsContact C-N 3.35Å; L428-I430 PolarHBondContact O-N 2.78Å; L428-G432 PolarHBondContact O-N 2.89Å; L428-L461 HydrophobicContact CD2-CD2 3.83Å; L428-L461 HydrophobicContact CG-CD2 4.21Å; L428-P465 HydrophobicContact CD1-CG 3.72Å
429Q92.5Very high89.6Confident30 Ų3040.9 Ų40.914%0.1422%0.222CC..Hα-helixtrans-62.8-42179.6-171.172.23.100111.7G391 S425 Q426G391-Q429 VanDerWaalsContact O-CD 3.31Å; G391-Q429 WeakPolarHBondContact O-CG 3.22Å; G391-Q429 PolarHBondContact O-NE2 2.97Å; S425-Q429 VanDerWaalsContact O-CB 3.27Å; S425-Q429 WeakPolarHBondContact O-CB 3.31Å; S425-Q429 PolarHBondContact O-N 2.62Å; Q426-Q429 PolarHBondContact O-N 2.73Å
430I94.9Very high89.3Confident3 Ų342.6 Ų42.62%0.01524%0.239CC..Hα-helixtrans-76.4-51.9179.1-65167.1000110.6V334 F336 D388 V401 F403 Q426 A427 L428 G432 R433V334-I430 HydrophobicContact CB-CG2 4.31Å; V334-I430 HydrophobicContact CG1-CD1 4.41Å; V334-I430 HydrophobicContact CG1-CG2 4.03Å; V334-I430 HydrophobicContact CG2-CG2 3.71Å; F336-I430 HydrophobicContact CE1-CD1 3.87Å; F336-I430 HydrophobicContact CZ-CD1 4.44Å; D388-I430 HydrophobicContact CB-CD1 3.87Å; V401-I430 HydrophobicContact CG1-CG2 4.17Å; F403-I430 HydrophobicContact CE1-CB 4.21Å; F403-I430 HydrophobicContact CE1-CD1 4.21Å; F403-I430 HydrophobicContact CE1-CG2 3.79Å; F403-I430 HydrophobicContact CZ-CB 3.93Å; F403-I430 HydrophobicContact CZ-CG2 3.62Å; Q426-I430 WeakPolarHBondContact O-CB 3.44Å; Q426-I430 VanDerWaalsContact O-CG1 3.29Å; Q426-I430 WeakPolarHBondContact O-CG1 3.42Å; Q426-I430 PolarHBondContact O-N 3.27Å; A427-I430 PolarHBondContact O-N 3.23Å; L428-I430 VanDerWaalsContact C-N 3.35Å; L428-I430 PolarHBondContact O-N 2.78Å; I430-G432 VanDerWaalsContact C-N 3.28Å; I430-G432 PolarHBondContact O-N 3.45Å; I430-R433 VanDerWaalsContact O-CB 3.25Å; I430-R433 WeakPolarHBondContact O-CB 3.44Å; I430-R433 WeakPolarHBondContact O-CG 3.4Å; I430-R433 PolarHBondContact O-N 3.17Å; I430-R433 VanDerWaalsContact O-N 3.08Å
431A95Very high89Confident0 Ų041.3 Ų41.30%023%0.233CC..Hα-helixtrans-60.7-38.1-17800000112.1L314 F403 A427 R433 A434 V446 L461L314-A431 HydrophobicContact CD2-CB 4.28Å; F403-A431 HydrophobicContact CE2-CB 4.3Å; A427-A431 WeakPolarHBondContact O-CB 3.27Å; A427-A431 PolarHBondContact O-N 2.98Å; A431-R433 PolarHBondContact O-N 3.37Å; A431-A434 WeakPolarHBondContact O-CB 3.43Å; A431-A434 PolarHBondContact O-N 3.39Å; A431-V446 HydrophobicContact CB-CB 4.38Å; A431-V446 HydrophobicContact CB-CG2 3.79Å; A431-L461 HydrophobicContact CB-CD1 4.22Å; A431-L461 HydrophobicContact CB-CD2 3.82Å
432G91.9Very high88.4Confident5 Ų541.4 Ų41.45%0.05224%0.235CC..THydrogen-bonded Turntrans-67.9-2.8178.900000114.8T173 L428 I430T173-G432 VanDerWaalsContact OG1-CA 3.27Å; T173-G432 WeakPolarHBondContact OG1-CA 3.42Å; T173-G432 PolarHBondContact OG1-O 2.89Å; L428-G432 PolarHBondContact O-N 2.89Å; I430-G432 VanDerWaalsContact C-N 3.28Å; I430-G432 PolarHBondContact O-N 3.45Å
433R91.8Very high88.2Confident44 Ų4444.5 Ų44.517%0.16625%0.249CC..THydrogen-bonded Turntrans-77.4-21.8169-61-72.5168.5-178.3-8113.4I390 G391 L394 I398 I430 A431I390-R433 WeakPolarHBondContact O-CD 3.34Å; I390-R433 PolarHBondContact O-NE 3.4Å; G391-R433 PolarHBondContact O-NE 2.94Å; G391-R433 PolarHBondContact O-NH2 2.91Å; L394-R433 PolarHBondContact O-NH1 3.48Å; I398-R433 HydrophobicContact CD1-CB 4.08Å; I430-R433 VanDerWaalsContact O-CB 3.25Å; I430-R433 WeakPolarHBondContact O-CB 3.44Å; I430-R433 WeakPolarHBondContact O-CG 3.4Å; I430-R433 PolarHBondContact O-N 3.17Å; I430-R433 VanDerWaalsContact O-N 3.08Å; A431-R433 PolarHBondContact O-N 3.37Å
434A93.2Very high88.3Confident0 Ų042.1 Ų42.10%023%0.234CC..BIsolated β-bridgetrans-60.9149.716700000109R310 L314 I398 V401 A431 Q445R310-A434 PolarHBondContact NH2-O 3.31Å; L314-A434 HydrophobicContact CD1-CB 3.88Å; I398-A434 CarbonylContact O-C 3.52Å; I398-A434 WeakPolarHBondContact O-CA 3.46Å; V401-A434 HydrophobicContact CB-CB 4.32Å; V401-A434 HydrophobicContact CG2-CB 3.82Å; A431-A434 WeakPolarHBondContact O-CB 3.43Å; A431-A434 PolarHBondContact O-N 3.39Å; A434-Q445 WeakPolarHBondContact CB-O 3.11Å
435G89.3Confident88.4Confident1 Ų143.5 Ų43.51%0.0124%0.24CC..SBendtrans59.2113.1173.500000115.7N174 R310 T312 I398 H441 G444N174-G435 PolarHBondContact ND2-O 2.92Å; R310-G435 PolarHBondContact NH2-O 3.31Å; T312-G435 PolarHBondContact OG1-O 2.86Å; I398-G435 PolarHBondContact O-N 3.46Å; G435-H441 CarbonylContact C-O 3.45Å; G435-H441 VanDerWaalsContact CA-O 3.24Å; G435-H441 WeakPolarHBondContact CA-O 3.04Å; G435-G444 VanDerWaalsContact CA-CA 3.49Å
436R83.3Confident88.6Confident68 Ų6843 Ų4326%0.25724%0.237SC..  trans-123138.2-176.1-165.7175.3-173.1122.5-1.1112.1N395 L396 T439 H441N395-R436 VanDerWaalsContact CG-NH2 3.33Å; N395-R436 PolarHBondContact OD1-NE 2.65Å; N395-R436 PolarHBondContact OD1-NH1 3.44Å; N395-R436 PolarHBondContact OD1-NH2 2.81Å; L396-R436 PolarHBondContact O-NH1 2.93Å; R436-T439 HydrophobicContact CB-CG2 3.99Å; R436-T439 HydrophobicContact CG-CG2 4.1Å; R436-T439 PolarHBondContact O-N 3.44Å; R436-T439 PolarHBondContact O-OG1 2.93Å; R436-H441 PolarHBondContact N-O 3.4Å
437Y77.1Confident88.9Confident161 Ų16139.9 Ų39.963%0.63122%0.222SC*.THydrogen-bonded Turntrans-67.8136176.8-178-96.2000110.5M311 T439M311-Y437 HydrophobicContact CB-CD2 4.27Å; M311-Y437 HydrophobicContact CB-CG 4.41Å; M311-Y437 HydrophobicContact CE-CG 4.4Å; M311-Y437 HydrophobicContact SD-CG 4.45Å; Y437-T439 VanDerWaalsContact C-N 3.31Å; Y437-T439 PolarHBondContact O-N 3.31Å
438G77.2Confident89Confident76 Ų7639.9 Ų39.978%0.78422%0.222SC*.THydrogen-bonded Turntrans79.25.2179.200000115.4
439T78Confident89.1Confident48 Ų4838 Ų3829%0.29421%0.212SC..SBendtrans-108.8173.6171.977.30000111.3S397 R436 Y437 H441S397-T439 WeakPolarHBondContact OG-CB 3.44Å; S397-T439 PolarHBondContact OG-OG1 2.72Å; S397-T439 VanDerWaalsContact OG-OG1 3.07Å; R436-T439 HydrophobicContact CB-CG2 3.99Å; R436-T439 HydrophobicContact CG-CG2 4.1Å; R436-T439 PolarHBondContact O-N 3.44Å; R436-T439 PolarHBondContact O-OG1 2.93Å; Y437-T439 VanDerWaalsContact C-N 3.31Å; Y437-T439 PolarHBondContact O-N 3.31Å; T439-H441 PolarHBondContact O-N 2.66Å; T439-H441 VanDerWaalsContact O-N 3.1Å; T439-H441 PolarHBondContact OG1-N 3.27Å
440C78.3Confident89.2Confident109 Ų10940.1 Ų40.174%0.73622%0.219SC*.SBendtrans-63.9-8.6174.656.70000113.8
441H80.9Confident89.2Confident43 Ų4343.3 Ų43.320%0.19924%0.241CC..  trans-111.166.3-179.2-57-38.8000110.8S397 K399 G435 R436 T439 H443S397-H441 PolarHBondContact O-CD2 3.21Å; K399-H441 HydrophobicContact CB-CB 4.32Å; G435-H441 CarbonylContact C-O 3.45Å; G435-H441 VanDerWaalsContact CA-O 3.24Å; G435-H441 WeakPolarHBondContact CA-O 3.04Å; R436-H441 PolarHBondContact N-O 3.4Å; T439-H441 PolarHBondContact O-N 2.66Å; T439-H441 VanDerWaalsContact O-N 3.1Å; T439-H441 PolarHBondContact OG1-N 3.27Å; H441-H443 PolarHBondContact O-N 2.75Å
442S80.2Confident89.1Confident79 Ų7949.6 Ų49.655%0.55227%0.271SS*.  trans-69-19.5178.160.50000113.6T312 P313T312-S442 VanDerWaalsContact CB-O 3.23Å; T312-S442 WeakPolarHBondContact CB-O 3.28Å; T312-S442 WeakPolarHBondContact CG2-O 3.29Å; P313-S442 WeakPolarHBondContact CD-O 3.48Å
443H89Confident89.2Confident71 Ų7150 Ų5033%0.32927%0.271SS..SBendtrans-115.4114.8177.2-173.574.9000110.2P313 E315 H441P313-H443 VanDerWaalsContact CG-ND1 3.33Å; P313-H443 WeakPolarHBondContact CG-ND1 3.32Å; E315-H443 WeakPolarHBondContact CB-NE2 2.86Å; E315-H443 IonicContact OE2-CD2 3.02Å; E315-H443 IonicContact OE2-CE1 2.7Å; E315-H443 IonicContact OE2-NE2 2.73Å; E315-H443 PolarHBondContact OE2-NE2 2.74Å; H441-H443 PolarHBondContact O-N 2.75Å
444G93.1Very high89.4Confident0 Ų048.4 Ų48.40%027%0.267CS..EExtended strand (participates in β ladder)trans-91134.9179.300000111.2P313 L314 E315 K399 G435P313-G444 PolarHBondContact O-N 3.32Å; P313-G444 VanDerWaalsContact O-N 3.09Å; L314-G444 CarbonylContact C-O 3.57Å; L314-G444 WeakPolarHBondContact CA-O 3.47Å; E315-G444 PolarHBondContact N-O 2.82Å; K399-G444 WeakPolarHBondContact O-CA 3.37Å; G435-G444 VanDerWaalsContact CA-CA 3.49Å
445Q96.5Very high89.5Confident43 Ų4352.7 Ų52.720%0.20130%0.296CS..EExtended strand (participates in β ladder)trans-113.4148.2174.9-64.5-179.3-51.200110.9E315 M317 K399 R400 V401 A434E315-Q445 CarbonylContact O-C 3.6Å; E315-Q445 WeakPolarHBondContact O-CA 3.46Å; E315-Q445 PolarHBondContact OE2-NE2 3.18Å; M317-Q445 HydrophobicContact CG-CB 4.33Å; M317-Q445 HydrophobicContact SD-CB 4.43Å; K399-Q445 PolarHBondContact O-N 3.01Å; R400-Q445 CarbonylContact C-O 3.59Å; R400-Q445 WeakPolarHBondContact CA-O 3.38Å; R400-Q445 HydrophobicContact CB-CB 4.05Å; R400-Q445 HydrophobicContact CG-CB 3.94Å; V401-Q445 PolarHBondContact N-O 3.27Å; A434-Q445 WeakPolarHBondContact CB-O 3.11Å
446V97.3Very high89.8Confident0 Ų055 Ų550%031%0.308CS..EExtended strand (participates in β ladder)trans-136.7137173.7680000110.9L314 E315 V316 M317 V401 F403 A431 L457 L461L314-V446 HydrophobicContact CD1-CB 4.38Å; L314-V446 HydrophobicContact CD1-CG1 4.33Å; L314-V446 HydrophobicContact CG-CG1 4.36Å; E315-V446 PolarHBondContact O-N 3.02Å; V316-V446 WeakPolarHBondContact CA-O 3.45Å; V316-V446 HydrophobicContact CB-CG1 4.12Å; V316-V446 HydrophobicContact CG1-CG1 4.23Å; V316-V446 HydrophobicContact CG2-CG1 3.74Å; M317-V446 PolarHBondContact N-O 3.4Å; V401-V446 HydrophobicContact CB-CG2 4.18Å; V401-V446 HydrophobicContact CG1-CG2 4.23Å; V401-V446 CarbonylContact O-C 3.59Å; V401-V446 VanDerWaalsContact O-CA 3.28Å; V401-V446 WeakPolarHBondContact O-CA 3.43Å; V401-V446 WeakPolarHBondContact O-CG2 3.49Å; F403-V446 HydrophobicContact CD2-CG2 4.12Å; F403-V446 HydrophobicContact CE2-CG2 3.77Å; A431-V446 HydrophobicContact CB-CB 4.38Å; A431-V446 HydrophobicContact CB-CG2 3.79Å; V446-L457 HydrophobicContact CG2-CD2 4.1Å; V446-L461 HydrophobicContact CG1-CD1 3.54Å; V446-L461 HydrophobicContact CG2-CD1 4.41Å
447T97.8Very high90.4Very high0 Ų051.8 Ų51.80%030%0.296CS..EExtended strand (participates in β ladder)trans-155.2-174.4-179.5-165.70000111.3M317 E319 P320 I321 R400 V401 I402 F403M317-T447 HydrophobicContact SD-CG2 3.7Å; E319-T447 PolarHBondContact O-OG1 2.86Å; P320-T447 WeakPolarHBondContact CA-OG1 3.36Å; I321-T447 HydrophobicContact CG2-CG2 3.75Å; R400-T447 HydrophobicContact CG-CG2 4.48Å; V401-T447 PolarHBondContact O-N 2.94Å; I402-T447 WeakPolarHBondContact CA-O 3.4Å; I402-T447 HydrophobicContact CG1-CG2 3.85Å; F403-T447 PolarHBondContact N-O 3.01Å
448T97.8Very high91.3Very high0 Ų047.7 Ų47.70%028%0.282CS..EExtended strand (participates in β ladder)trans-119.8155.7177.360.10000110.7P320 I321 F403 L406 R450 D453 L454 L457P320-T448 VanDerWaalsContact CA-O 3.31Å; P320-T448 WeakPolarHBondContact CA-O 3.43Å; P320-T448 VanDerWaalsContact CB-O 3.25Å; P320-T448 WeakPolarHBondContact CB-O 3.46Å; I321-T448 PolarHBondContact N-O 3.21Å; F403-T448 HydrophobicContact CB-CG2 4.34Å; F403-T448 WeakPolarHBondContact O-CA 3.46Å; L406-T448 HydrophobicContact CD1-CG2 4.35Å; T448-R450 WeakPolarHBondContact CB-O 3.11Å; T448-R450 PolarHBondContact OG1-O 3.13Å; T448-D453 HydrophobicContact CG2-CB 3.76Å; T448-L454 HydrophobicContact CG2-CD1 4.4Å; T448-L454 WeakPolarHBondContact OG1-CB 3.28Å; T448-L454 PolarHBondContact OG1-N 3.24Å; T448-L457 HydrophobicContact CG2-CB 3.92Å; T448-L457 HydrophobicContact CG2-CD2 3.67Å; T448-L457 HydrophobicContact CG2-CG 4.38Å
449L96.2Very high92.2Very high17 Ų1745.8 Ų45.89%0.08926%0.256CS..SBendtrans-68.8-42.4171.7-17962.9000110.7I321 H322 I324 I402 F403 N404I321-L449 HydrophobicContact CD1-CD1 3.72Å; I321-L449 HydrophobicContact CG1-CD1 3.81Å; H322-L449 CarbonylContact C-O 3.49Å; H322-L449 VanDerWaalsContact CA-O 3.25Å; H322-L449 WeakPolarHBondContact CA-O 3.45Å; H322-L449 PolarHBondContact N-O 3.32Å; H322-L449 VanDerWaalsContact N-O 3.11Å; I324-L449 HydrophobicContact CG1-CD1 4.08Å; I324-L449 HydrophobicContact CG1-CD2 4.45Å; I402-L449 HydrophobicContact CG2-CB 4.22Å; F403-L449 PolarHBondContact O-N 3.19Å; N404-L449 WeakPolarHBondContact OD1-CD2 3.43Å
450R94.7Very high93Very high75 Ų7544 Ų4428%0.28324%0.244SC..SBendtrans-106.4147.2-175.8-56.6176.9-176.4-174-0.8111.9T448 E452 D453T448-R450 WeakPolarHBondContact CB-O 3.11Å; T448-R450 PolarHBondContact OG1-O 3.13Å; R450-E452 VanDerWaalsContact C-N 3.33Å; R450-E452 HydrophobicContact CB-CG 3.97Å; R450-E452 WeakPolarHBondContact CD-OE1 3.22Å; R450-E452 IonicContact NH1-OE1 2.58Å; R450-E452 PolarHBondContact NH1-OE1 2.77Å; R450-E452 PolarHBondContact O-N 3.1Å; R450-D453 PolarHBondContact O-N 2.78Å
451S93.9Very high93.7Very high69 Ų6940 Ų4048%0.48322%0.216SC..Hα-helixtrans-65.3-33.5179.3-45.20000113.8P320 H322 D453 L454P320-S451 WeakPolarHBondContact CG-OG 3.09Å; H322-S451 PolarHBondContact CE1-OG 3.19Å; H322-S451 PolarHBondContact ND1-OG 3.46Å; S451-D453 VanDerWaalsContact C-N 3.3Å; S451-D453 PolarHBondContact O-N 3.11Å; S451-L454 PolarHBondContact O-N 2.9Å
452E93.4Very high94.3Very high132 Ų13242.8 Ų42.862%0.61724%0.24SC*.Hα-helixtrans-61.8-36.3-179.360.6-165-163.900112.9R450R450-E452 VanDerWaalsContact C-N 3.33Å; R450-E452 HydrophobicContact CB-CG 3.97Å; R450-E452 WeakPolarHBondContact CD-OE1 3.22Å; R450-E452 IonicContact NH1-OE1 2.58Å; R450-E452 PolarHBondContact NH1-OE1 2.77Å; R450-E452 PolarHBondContact O-N 3.1Å
453D94.6Very high94.8Very high13 Ų1345.4 Ų45.47%0.0724%0.238CC..Hα-helixtrans-78.2-23-178.2-72.9-40.6000113.1L406 T448 R450 S451 S455 L456 L457L406-D453 HydrophobicContact CD1-CB 3.81Å; L406-D453 WeakPolarHBondContact CD1-O 3.21Å; L406-D453 HydrophobicContact CG-CB 4.18Å; T448-D453 HydrophobicContact CG2-CB 3.76Å; R450-D453 PolarHBondContact O-N 2.78Å; S451-D453 VanDerWaalsContact C-N 3.3Å; S451-D453 PolarHBondContact O-N 3.11Å; D453-S455 VanDerWaalsContact C-N 3.34Å; D453-S455 PolarHBondContact O-N 3.29Å; D453-L456 WeakPolarHBondContact O-CB 3.34Å; D453-L456 PolarHBondContact O-N 3.37Å; D453-L456 VanDerWaalsContact O-N 3.14Å; D453-L457 PolarHBondContact O-N 2.56Å
454L95.8Very high94.8Very high12 Ų1249.4 Ų49.46%0.06326%0.257CS..Hα-helixtrans-63.8-38.7-170.1-175.159.6000112.9N318 T448 S451 L456 L457 K458N318-L454 WeakPolarHBondContact O-CD2 3.38Å; T448-L454 HydrophobicContact CG2-CD1 4.4Å; T448-L454 WeakPolarHBondContact OG1-CB 3.28Å; T448-L454 PolarHBondContact OG1-N 3.24Å; S451-L454 PolarHBondContact O-N 2.9Å; L454-L456 VanDerWaalsContact C-N 3.32Å; L454-L456 PolarHBondContact O-N 3.02Å; L454-L457 HydrophobicContact CD1-CD2 4.37Å; L454-L457 PolarHBondContact O-N 3.36Å; L454-K458 WeakPolarHBondContact O-CG 3.2Å; L454-K458 PolarHBondContact O-N 2.85Å
455S95Very high94.6Very high89 Ų8950.4 Ų50.462%0.62226%0.263SS*.Hα-helixtrans-63-40.6177.465.90000111.8D453 S459D453-S455 VanDerWaalsContact C-N 3.34Å; D453-S455 PolarHBondContact O-N 3.29Å; S455-S459 WeakPolarHBondContact O-CB 3.25Å; S455-S459 PolarHBondContact O-N 2.92Å; S455-S459 VanDerWaalsContact O-N 3.12Å
456L95.3Very high94.4Very high51 Ų5155 Ų5527%0.26729%0.285SS..Hα-helixtrans-67.4-42175.5178.360.8000111L406 P421 D453 L454 K458 S459 L460L406-L456 HydrophobicContact CB-CD2 3.9Å; L406-L456 HydrophobicContact CD1-CB 3.9Å; L406-L456 HydrophobicContact CD1-CD2 4.04Å; L406-L456 HydrophobicContact CD1-CG 3.91Å; P421-L456 HydrophobicContact CB-CD2 4.14Å; D453-L456 WeakPolarHBondContact O-CB 3.34Å; D453-L456 PolarHBondContact O-N 3.37Å; D453-L456 VanDerWaalsContact O-N 3.14Å; L454-L456 VanDerWaalsContact C-N 3.32Å; L454-L456 PolarHBondContact O-N 3.02Å; L456-K458 PolarHBondContact O-N 3.49Å; L456-S459 WeakPolarHBondContact O-CB 3.21Å; L456-S459 PolarHBondContact O-N 3.14Å; L456-L460 HydrophobicContact CD1-CD1 4.26Å; L456-L460 HydrophobicContact CD1-CG 4.16Å; L456-L460 HydrophobicContact CG-CD1 4.06Å; L456-L460 HydrophobicContact CG-CG 4.4Å; L456-L460 WeakPolarHBondContact O-CG 3.26Å; L456-L460 PolarHBondContact O-N 3.48Å
457L96.8Very high94.3Very high0 Ų059 Ų590%031%0.31CS..Hα-helixtrans-58.3-49.7175.9-177.863.3000111.8V316 F403 L406 V446 T448 D453 L454 S459 L460 L461V316-L457 HydrophobicContact CG1-CD2 4.36Å; F403-L457 HydrophobicContact CD2-CD1 3.79Å; F403-L457 HydrophobicContact CD2-CD2 4.26Å; F403-L457 HydrophobicContact CE2-CD1 3.73Å; L406-L457 HydrophobicContact CD1-CB 3.83Å; L406-L457 HydrophobicContact CD2-CD1 4.17Å; V446-L457 HydrophobicContact CG2-CD2 4.1Å; T448-L457 HydrophobicContact CG2-CB 3.92Å; T448-L457 HydrophobicContact CG2-CD2 3.67Å; T448-L457 HydrophobicContact CG2-CG 4.38Å; D453-L457 PolarHBondContact O-N 2.56Å; L454-L457 HydrophobicContact CD1-CD2 4.37Å; L454-L457 PolarHBondContact O-N 3.36Å; L457-S459 VanDerWaalsContact C-N 3.27Å; L457-S459 PolarHBondContact O-N 2.98Å; L457-L460 PolarHBondContact O-N 3.06Å; L457-L461 HydrophobicContact CD1-CD1 3.72Å; L457-L461 HydrophobicContact CD1-CG 3.96Å; L457-L461 HydrophobicContact CG-CD1 3.91Å; L457-L461 HydrophobicContact CG-CG 4.4Å; L457-L461 WeakPolarHBondContact O-CG 3.42Å; L457-L461 PolarHBondContact O-N 3.06Å
458K96.2Very high94.2Very high75 Ų7559.3 Ų59.333%0.32631%0.312SS..Hα-helixtrans-58.3-41.5177.5-72.8-179.6-175.1-179.60111.3V316 M317 N318 L454 L456 S462V316-K458 HydrophobicContact CG1-CG 3.72Å; M317-K458 VanDerWaalsContact O-CE 3.31Å; M317-K458 WeakPolarHBondContact O-CE 3.34Å; N318-K458 PolarHBondContact O-NZ 3.38Å; L454-K458 WeakPolarHBondContact O-CG 3.2Å; L454-K458 PolarHBondContact O-N 2.85Å; L456-K458 PolarHBondContact O-N 3.49Å; K458-S462 WeakPolarHBondContact O-CB 3.46Å; K458-S462 PolarHBondContact O-N 3.41Å; K458-S462 VanDerWaalsContact O-N 3.17Å; K458-S462 PolarHBondContact O-OG 2.97Å
459S95.2Very high94Very high35 Ų3564.3 Ų64.325%0.24534%0.339CS..Hα-helixtrans-64.4-43175.9178.90000112.4S455 L456 L457 S462 R463S455-S459 WeakPolarHBondContact O-CB 3.25Å; S455-S459 PolarHBondContact O-N 2.92Å; S455-S459 VanDerWaalsContact O-N 3.12Å; L456-S459 WeakPolarHBondContact O-CB 3.21Å; L456-S459 PolarHBondContact O-N 3.14Å; L457-S459 VanDerWaalsContact C-N 3.27Å; L457-S459 PolarHBondContact O-N 2.98Å; S459-S462 PolarHBondContact O-OG 3.28Å; S459-S462 VanDerWaalsContact O-OG 3.12Å; S459-R463 WeakPolarHBondContact O-CD 3.42Å; S459-R463 VanDerWaalsContact O-CG 3.26Å; S459-R463 WeakPolarHBondContact O-CG 3.22Å; S459-R463 PolarHBondContact O-NE 3.4Å; S459-R463 PolarHBondContact OG-NE 3.48Å; S459-R463 PolarHBondContact OG-NH2 3.43Å
460L94.7Very high94.1Very high10 Ų1066.2 Ų66.25%0.05235%0.346CS..Hα-helixtrans-66.6-45.1179.4-72172.3000112.2I422 T424 A427 L456 L457 R463I422-L460 HydrophobicContact CG1-CD1 3.96Å; T424-L460 VanDerWaalsContact CG2-O 3.31Å; T424-L460 WeakPolarHBondContact CG2-O 3.37Å; A427-L460 HydrophobicContact CB-CB 4.16Å; A427-L460 HydrophobicContact CB-CD1 4.31Å; L456-L460 HydrophobicContact CD1-CD1 4.26Å; L456-L460 HydrophobicContact CD1-CG 4.16Å; L456-L460 HydrophobicContact CG-CD1 4.06Å; L456-L460 HydrophobicContact CG-CG 4.4Å; L456-L460 WeakPolarHBondContact O-CG 3.26Å; L456-L460 PolarHBondContact O-N 3.48Å; L457-L460 PolarHBondContact O-N 3.06Å; L460-R463 PolarHBondContact O-N 3.49Å
461L93.8Very high94.3Very high27 Ų2762.6 Ų62.614%0.14133%0.333CS..Hα-helixtrans-76.9-18.1-176.1-64.4179.9000114.3V316 A427 L428 A431 V446 L457V316-L461 HydrophobicContact CG2-CB 4.36Å; V316-L461 HydrophobicContact CG2-CD1 3.63Å; A427-L461 HydrophobicContact CB-CD2 4.18Å; L428-L461 HydrophobicContact CD2-CD2 3.83Å; L428-L461 HydrophobicContact CG-CD2 4.21Å; A431-L461 HydrophobicContact CB-CD1 4.22Å; A431-L461 HydrophobicContact CB-CD2 3.82Å; V446-L461 HydrophobicContact CG1-CD1 3.54Å; V446-L461 HydrophobicContact CG2-CD1 4.41Å; L457-L461 HydrophobicContact CD1-CD1 3.72Å; L457-L461 HydrophobicContact CD1-CG 3.96Å; L457-L461 HydrophobicContact CG-CD1 3.91Å; L457-L461 HydrophobicContact CG-CG 4.4Å; L457-L461 WeakPolarHBondContact O-CG 3.42Å; L457-L461 PolarHBondContact O-N 3.06Å
462S93Very high94.4Very high100 Ų10059.3 Ų59.370%0.69931%0.31SS*.Hα-helixtrans-85.1-11.3174.5530000113.7K458 S459K458-S462 WeakPolarHBondContact O-CB 3.46Å; K458-S462 PolarHBondContact O-N 3.41Å; K458-S462 VanDerWaalsContact O-N 3.17Å; K458-S462 PolarHBondContact O-OG 2.97Å; S459-S462 PolarHBondContact O-OG 3.28Å; S459-S462 VanDerWaalsContact O-OG 3.12Å
463R91.6Very high94.6Very high135 Ų13553.4 Ų53.451%0.50928%0.282SS..SBendtrans-88.9150.7178.2-70.4170.8-166.7-161-0111.1T424 S459 L460T424-R463 HydrophobicContact CG2-CB 4.13Å; S459-R463 WeakPolarHBondContact O-CD 3.42Å; S459-R463 VanDerWaalsContact O-CG 3.26Å; S459-R463 WeakPolarHBondContact O-CG 3.22Å; S459-R463 PolarHBondContact O-NE 3.4Å; S459-R463 PolarHBondContact OG-NE 3.48Å; S459-R463 PolarHBondContact OG-NH2 3.43Å; L460-R463 PolarHBondContact O-N 3.49Å
464Q88Confident94.7Very high155 Ų15554 Ų5472%0.72428%0.284SS*.PPolyproline II helixtrans-72.7146.1162.1-66.9-65-25.100109.4
465P89.5Confident94.6Very high20 Ų2053.4 Ų53.413%0.1328%0.281CS..PPolyproline II helixtrans-56.4142.4169.6-17.527.6000110.8A287 L428A287-P465 HydrophobicContact CB-CB 4.06Å; L428-P465 HydrophobicContact CD1-CG 3.72Å
466E91.6Very high94.5Very high140 Ų14051.4 Ų51.465%0.65427%0.265SS*.PPolyproline II helixtrans-56.9137173.5-64.4-61.4148.600110.3A287A287-E466 WeakPolarHBondContact CB-O 3.41Å
467P94.4Very high94.4Very high83 Ų8349.8 Ų49.854%0.53926%0.257SS..PPolyproline II helixtrans-53.1140.4175.3-26.234.8000111.9
468I96Very high94.2Very high8 Ų855.3 Ų55.34%0.04128%0.283CS..PPolyproline II helixtrans-89.2116.2173.4-62.8169.6000106.8Q257 R260 E285 A287 A288 L291Q257-I468 HydrophobicContact CB-CD1 3.47Å; Q257-I468 VanDerWaalsContact CB-CD1 3.47Å; Q257-I468 WeakPolarHBondContact O-CD1 3.08Å; R260-I468 HydrophobicContact CB-CG1 4.49Å; R260-I468 HydrophobicContact CB-CG2 3.75Å; E285-I468 WeakPolarHBondContact OE1-CD1 3.16Å; A287-I468 HydrophobicContact CB-CG1 4.37Å; A287-I468 PolarHBondContact O-N 3.27Å; A288-I468 HydrophobicContact CB-CD1 3.91Å; L291-I468 WeakPolarHBondContact CB-O 3.4Å; L291-I468 HydrophobicContact CD2-CG2 3.69Å
469N95.3Very high94.2Very high105 Ų10552.7 Ų52.756%0.56127%0.271SS*.  trans-104-16.5-172.4-55.9-28.5000113.3L291L291-N469 WeakPolarHBondContact CD1-O 3.43Å
470K97.6Very high94.2Very high56 Ų5651 Ų5124%0.24326%0.26CS..  trans-140.5149.4-176.4-52.5-168.2-167.3-172.80113.3F20 L291 E507 H509 F511F20-K470 HydrophobicContact CE1-CD 4.42Å; F20-K470 HydrophobicContact CE2-CD 4.42Å; F20-K470 HydrophobicContact CZ-CD 3.75Å; L291-K470 VanDerWaalsContact CD2-C 3.46Å; K470-E507 WeakPolarHBondContact CD-O 3.49Å; K470-E507 WeakPolarHBondContact CE-O 3.37Å; K470-E507 PolarHBondContact NZ-O 3.2Å; K470-H509 CarbonylContact C-O 3.59Å; K470-H509 WeakPolarHBondContact CA-O 3.34Å; K470-F511 HydrophobicContact CB-CD1 3.75Å; K470-F511 HydrophobicContact CB-CE1 4.44Å
471A98.3Very high94.3Very high0 Ų053.9 Ų53.90%027%0.273CS..EExtended strand (participates in β ladder)trans-109.9144.1175.800000112L259 T269 L291 L295 H509 F510 F511L259-A471 HydrophobicContact CB-CB 4.19Å; L259-A471 HydrophobicContact CD2-CB 3.92Å; L259-A471 WeakPolarHBondContact O-CA 3.45Å; T269-A471 HydrophobicContact CG2-CB 4.32Å; L291-A471 HydrophobicContact CD2-CB 4.26Å; L295-A471 HydrophobicContact CD1-CB 3.79Å; A471-H509 PolarHBondContact N-O 3.07Å; A471-F510 HydrophobicContact CB-CD1 4.03Å; A471-F510 HydrophobicContact CB-CE1 4.21Å; A471-F510 CarbonylContact O-C 3.58Å; A471-F510 VanDerWaalsContact O-CA 3.26Å; A471-F510 WeakPolarHBondContact O-CA 3.34Å; A471-F511 VanDerWaalsContact C-CE1 3.4Å; A471-F511 WeakPolarHBondContact O-CD1 3.28Å; A471-F511 PolarHBondContact O-N 3.19Å
472G97.4Very high94.4Very high0 Ų056.8 Ų56.80%029%0.288CS..EExtended strand (participates in β ladder)trans-74.3145.4179.700000112.8L259 W266 T269 F511 C513L259-G472 PolarHBondContact O-N 3.46Å; W266-G472 VanDerWaalsContact CA-O 3.27Å; W266-G472 WeakPolarHBondContact CA-O 3.25Å; T269-G472 WeakPolarHBondContact CB-O 3.32Å; T269-G472 PolarHBondContact OG1-O 2.85Å; G472-F511 CarbonylContact C-O 3.51Å; G472-F511 VanDerWaalsContact CA-CZ 3.47Å; G472-F511 WeakPolarHBondContact CA-O 3.4Å; G472-F511 VanDerWaalsContact N-CE1 3.28Å; G472-C513 VanDerWaalsContact CA-SG 3.6Å
473L97.3Very high94.4Very high7 Ų752 Ų524%0.03726%0.255CS..EExtended strand (participates in β ladder)trans-124.3159.9168.4-66.5176.8000109.7L149 P152 W155 T269 F510 F511 C513L149-L473 HydrophobicContact CB-CD1 4.05Å; P152-L473 HydrophobicContact CB-CD2 4Å; P152-L473 HydrophobicContact CG-CD1 4.38Å; P152-L473 HydrophobicContact CG-CD2 4.2Å; W155-L473 HydrophobicContact CH2-CD2 4.5Å; T269-L473 HydrophobicContact CG2-CD2 3.73Å; L473-F510 HydrophobicContact CD1-CB 3.81Å; L473-F510 HydrophobicContact CD1-CD1 3.85Å; L473-F510 HydrophobicContact CD1-CG 3.83Å; L473-F510 HydrophobicContact CD2-CD1 3.95Å; L473-F510 HydrophobicContact CD2-CE1 4.18Å; L473-F510 HydrophobicContact CG-CB 4.21Å; L473-F510 HydrophobicContact CG-CD1 3.75Å; L473-F510 HydrophobicContact CG-CE1 4.46Å; L473-F510 HydrophobicContact CG-CG 4.19Å; L473-F511 PolarHBondContact N-O 3.42Å; L473-C513 WeakPolarHBondContact O-CB 3.26Å; L473-C513 PolarHBondContact O-N 2.97Å
474F95.2Very high94.6Very high25 Ų2546.9 Ų46.911%0.1124%0.24CC..  trans-144.1143.7179.8-161.8-99.3000110.6W266 T476 C513 I515 L518 Y536 L540W266-F474 HydrophobicContact CB-CB 3.51Å; W266-F474 AromaticContact CD1-CD2 3.89Å; W266-F474 HydrophobicContact CD2-CB 3.84Å; W266-F474 HydrophobicContact CD2-CG 4.27Å; W266-F474 HydrophobicContact CE3-CB 4.38Å; W266-F474 HydrophobicContact CG-CB 3.43Å; W266-F474 VanDerWaalsContact CG-CB 3.43Å; W266-F474 HydrophobicContact CG-CD2 4.36Å; W266-F474 HydrophobicContact CG-CG 4.05Å; F474-T476 PolarHBondContact O-N 3.23Å; F474-C513 HydrophobicContact CD2-CB 4.04Å; F474-I515 HydrophobicContact CD2-CG2 4.16Å; F474-I515 HydrophobicContact CE2-CG2 3.58Å; F474-I515 HydrophobicContact CZ-CG2 4.09Å; F474-L518 HydrophobicContact CE1-CD1 3.93Å; F474-L518 HydrophobicContact CZ-CD1 3.56Å; F474-Y536 WeakPolarHBondContact CE1-OH 3.31Å; F474-L540 HydrophobicContact CE1-CD2 3.98Å; F474-L540 HydrophobicContact CZ-CD2 4.35Å
475P93.5Very high94.9Very high1 Ų148.1 Ų48.11%0.00624%0.239CC..  trans-62.8128.4177.2-17.330.7000110.4I480 L496 F499 M512 Y536P475-I480 HydrophobicContact CB-CD1 3.9Å; P475-I480 HydrophobicContact CB-CG1 4.05Å; P475-L496 HydrophobicContact CB-CD2 4.49Å; P475-L496 HydrophobicContact CG-CD2 4.34Å; P475-F499 HydrophobicContact CB-CD1 3.73Å; P475-F499 HydrophobicContact CB-CE1 3.54Å; P475-F499 HydrophobicContact CB-CG 4.37Å; P475-F499 HydrophobicContact CB-CZ 4.04Å; P475-F499 HydrophobicContact CG-CD1 3.59Å; P475-F499 HydrophobicContact CG-CE1 3.6Å; P475-M512 HydrophobicContact CG-SD 4.18Å; P475-Y536 PolarHBondContact O-OH 2.6Å
476T92.8Very high94.9Very high46 Ų4650.6 Ų50.628%0.28225%0.246SC..  trans-75.7159.1174.261.20000111.2F474 E478 Q479 I480F474-T476 PolarHBondContact O-N 3.23Å; T476-E478 VanDerWaalsContact C-N 3.27Å; T476-E478 PolarHBondContact O-N 2.93Å; T476-Q479 PolarHBondContact O-N 3.42Å; T476-Q479 WeakPolarHBondContact OG1-CB 3.16Å; T476-Q479 WeakPolarHBondContact OG1-CG 3.44Å; T476-Q479 PolarHBondContact OG1-N 3.17Å; T476-Q479 PolarHBondContact OG1-OE1 2.93Å; T476-I480 WeakPolarHBondContact O-CG1 3.3Å; T476-I480 PolarHBondContact O-N 2.98Å
477L93.4Very high94.9Very high18 Ų1844.6 Ų44.69%0.09422%0.219CC..Hα-helixtrans-60.1-43.1176.4169.363000110.5Q479 I480 E481 R533 Y536L477-Q479 VanDerWaalsContact C-N 3.34Å; L477-Q479 PolarHBondContact O-N 3.37Å; L477-I480 PolarHBondContact O-N 3.02Å; L477-I480 VanDerWaalsContact O-N 3.12Å; L477-E481 HydrophobicContact CD1-CG 3.92Å; L477-E481 HydrophobicContact CG-CG 4.27Å; L477-E481 WeakPolarHBondContact O-CG 3.44Å; L477-E481 PolarHBondContact O-N 3.24Å; L477-R533 HydrophobicContact CD1-CG 4.48Å; L477-R533 HydrophobicContact CD2-CG 3.81Å; L477-Y536 HydrophobicContact CB-CD1 4.03Å; L477-Y536 HydrophobicContact CB-CE1 3.87Å; L477-Y536 HydrophobicContact CD1-CD1 3.65Å; L477-Y536 HydrophobicContact CD1-CE1 4.31Å; L477-Y536 HydrophobicContact CD1-CG 3.78Å; L477-Y536 HydrophobicContact CG-CD1 4.33Å
478E94.1Very high94.7Very high115 Ų11545.5 Ų45.554%0.53722%0.224SC..Hα-helixtrans-60.9-43.4-177.7-64.170.7-156.800110.9T476 I480 E481 L482T476-E478 VanDerWaalsContact C-N 3.27Å; T476-E478 PolarHBondContact O-N 2.93Å; E478-I480 PolarHBondContact O-N 3.43Å; E478-E481 PolarHBondContact O-N 3Å; E478-L482 VanDerWaalsContact O-CG 3.31Å; E478-L482 WeakPolarHBondContact O-CG 3.38Å; E478-L482 PolarHBondContact O-N 2.86Å
479Q95.1Very high94.3Very high20 Ų2053.9 Ų53.99%0.09326%0.261CS..Hα-helixtrans-60.4-43.3174.1-78.5166.1-3200112.2I146 L149 T476 L477 L482 F483 F499I146-Q479 HydrophobicContact CG2-CB 4.2Å; I146-Q479 HydrophobicContact CG2-CG 4.14Å; L149-Q479 VanDerWaalsContact CD2-NE2 3.26Å; T476-Q479 PolarHBondContact O-N 3.42Å; T476-Q479 WeakPolarHBondContact OG1-CB 3.16Å; T476-Q479 WeakPolarHBondContact OG1-CG 3.44Å; T476-Q479 PolarHBondContact OG1-N 3.17Å; T476-Q479 PolarHBondContact OG1-OE1 2.93Å; L477-Q479 VanDerWaalsContact C-N 3.34Å; L477-Q479 PolarHBondContact O-N 3.37Å; Q479-L482 PolarHBondContact O-N 3.38Å; Q479-F483 WeakPolarHBondContact O-CD2 3.47Å; Q479-F483 PolarHBondContact O-N 3Å; Q479-F499 HydrophobicContact CB-CD2 4.5Å; Q479-F499 HydrophobicContact CB-CE2 3.72Å; Q479-F499 HydrophobicContact CB-CZ 4.24Å; Q479-F499 HydrophobicContact CG-CE2 4.13Å; Q479-F499 HydrophobicContact CG-CZ 4.41Å
480I96.5Very high94Very high0 Ų050.1 Ų50.10%024%0.244CC..Hα-helixtrans-70.8-35.3179.7-62-57.5000111.8P475 T476 L477 E478 F483 S484 L492 L495 L496 F499 Y536P475-I480 HydrophobicContact CB-CD1 3.9Å; P475-I480 HydrophobicContact CB-CG1 4.05Å; T476-I480 WeakPolarHBondContact O-CG1 3.3Å; T476-I480 PolarHBondContact O-N 2.98Å; L477-I480 PolarHBondContact O-N 3.02Å; L477-I480 VanDerWaalsContact O-N 3.12Å; E478-I480 PolarHBondContact O-N 3.43Å; I480-F483 PolarHBondContact O-N 3.28Å; I480-S484 PolarHBondContact O-N 2.94Å; I480-L492 HydrophobicContact CG2-CD1 3.76Å; I480-L495 HydrophobicContact CG2-CB 4.46Å; I480-L495 HydrophobicContact CG2-CD1 4.41Å; I480-L496 HydrophobicContact CD1-CD2 3.8Å; I480-L496 HydrophobicContact CD1-CG 4.48Å; I480-L496 HydrophobicContact CG1-CD2 4.14Å; I480-F499 HydrophobicContact CD1-CB 4.01Å; I480-F499 HydrophobicContact CD1-CD2 4.14Å; I480-F499 HydrophobicContact CD1-CG 4.01Å; I480-Y536 HydrophobicContact CB-CE2 4.5Å; I480-Y536 HydrophobicContact CG1-CE2 4.06Å; I480-Y536 HydrophobicContact CG2-CD2 4.41Å
481E96.2Very high93.9Very high71 Ų7149.6 Ų49.633%0.33225%0.246SC..Hα-helixtrans-63.6-42.4172.9-75-177.615700111.6L477 E478 S484 Y485 L532 R533L477-E481 HydrophobicContact CD1-CG 3.92Å; L477-E481 HydrophobicContact CG-CG 4.27Å; L477-E481 WeakPolarHBondContact O-CG 3.44Å; L477-E481 PolarHBondContact O-N 3.24Å; E478-E481 PolarHBondContact O-N 3Å; E481-S484 WeakPolarHBondContact O-CB 3.46Å; E481-S484 PolarHBondContact O-N 3.35Å; E481-Y485 PolarHBondContact O-N 3.34Å; E481-L532 HydrophobicContact CG-CD2 4.11Å; E481-R533 WeakPolarHBondContact OE1-CB 3.26Å
482L95.2Very high93.8Very high87 Ų8749.7 Ų49.746%0.45525%0.246SC..Hα-helixtrans-62.5-43.2174-69.6170.7000111.7I146 E478 Q479 S484 Y485 Y486I146-L482 HydrophobicContact CD1-CB 3.77Å; I146-L482 HydrophobicContact CD1-CD1 4.44Å; I146-L482 HydrophobicContact CG1-CB 4.39Å; I146-L482 HydrophobicContact CG1-CD1 4.26Å; I146-L482 HydrophobicContact CG2-CB 4.13Å; I146-L482 HydrophobicContact CG2-CD1 4.14Å; E478-L482 VanDerWaalsContact O-CG 3.31Å; E478-L482 WeakPolarHBondContact O-CG 3.38Å; E478-L482 PolarHBondContact O-N 2.86Å; Q479-L482 PolarHBondContact O-N 3.38Å; L482-S484 VanDerWaalsContact C-N 3.31Å; L482-S484 PolarHBondContact O-N 3.33Å; L482-Y485 WeakPolarHBondContact O-CB 3.05Å; L482-Y485 PolarHBondContact O-N 3.32Å; L482-Y486 VanDerWaalsContact O-CD2 3.24Å; L482-Y486 WeakPolarHBondContact O-CD2 3.47Å; L482-Y486 PolarHBondContact O-N 2.99Å
483F94.5Very high93.6Very high0 Ų050.1 Ų50.10%025%0.249CC..Hα-helixtrans-58.7-42.9172.7-94.9-120.4000111.9L143 I146 Q479 I480 Y485 Y486 L487 L495 I498 F499 L502L143-F483 HydrophobicContact CB-CE1 4.26Å; L143-F483 HydrophobicContact CB-CE2 4.4Å; L143-F483 HydrophobicContact CB-CZ 3.94Å; L143-F483 HydrophobicContact CD2-CB 4.44Å; L143-F483 HydrophobicContact CD2-CD1 3.82Å; L143-F483 HydrophobicContact CD2-CD2 3.96Å; L143-F483 HydrophobicContact CD2-CE1 3.93Å; L143-F483 HydrophobicContact CD2-CE2 4.07Å; L143-F483 HydrophobicContact CD2-CG 3.82Å; L143-F483 HydrophobicContact CD2-CZ 4.04Å; L143-F483 WeakPolarHBondContact O-CE2 3.43Å; L143-F483 WeakPolarHBondContact O-CZ 3.49Å; I146-F483 HydrophobicContact CB-CD2 4.18Å; I146-F483 HydrophobicContact CB-CE2 3.75Å; I146-F483 HydrophobicContact CG2-CD2 3.7Å; I146-F483 HydrophobicContact CG2-CE2 3.62Å; Q479-F483 WeakPolarHBondContact O-CD2 3.47Å; Q479-F483 PolarHBondContact O-N 3Å; I480-F483 PolarHBondContact O-N 3.28Å; F483-Y485 VanDerWaalsContact C-N 3.28Å; F483-Y485 PolarHBondContact O-N 3.36Å; F483-Y486 PolarHBondContact O-N 2.83Å; F483-L487 WeakPolarHBondContact O-CB 3.45Å; F483-L487 PolarHBondContact O-N 2.78Å; F483-L495 HydrophobicContact CB-CD2 4.13Å; F483-I498 HydrophobicContact CD1-CG2 4.15Å; F483-I498 HydrophobicContact CE1-CG2 3.81Å; F483-F499 HydrophobicContact CD1-CB 4.19Å; F483-F499 HydrophobicContact CD1-CD2 4.46Å; F483-F499 AromaticContact CD2-CD2 3.94Å; F483-F499 HydrophobicContact CD2-CD2 3.94Å; F483-F499 HydrophobicContact CE1-CB 3.91Å; F483-F499 HydrophobicContact CE1-CD2 4.13Å; F483-F499 AromaticContact CE2-CD2 3.56Å; F483-F499 HydrophobicContact CE2-CD2 3.56Å; F483-F499 HydrophobicContact CE2-CE2 4.12Å; F483-F499 HydrophobicContact CG-CD2 4.38Å; F483-F499 HydrophobicContact CZ-CB 4.26Å; F483-F499 AromaticContact CZ-CD2 3.69Å; F483-F499 HydrophobicContact CZ-CD2 3.69Å; F483-F499 HydrophobicContact CZ-CG 4.38Å; F483-L502 HydrophobicContact CE1-CD1 4.34Å; F483-L502 HydrophobicContact CZ-CD1 4.49Å
484S94.3Very high93.4Very high27 Ų2751.1 Ų51.119%0.18925%0.254CS..Hα-helixtrans-66.3-27.7177.7-175.30000113.5I480 E481 L482 L487 P488I480-S484 PolarHBondContact O-N 2.94Å; E481-S484 WeakPolarHBondContact O-CB 3.46Å; E481-S484 PolarHBondContact O-N 3.35Å; L482-S484 VanDerWaalsContact C-N 3.31Å; L482-S484 PolarHBondContact O-N 3.33Å; S484-L487 CarbonylContact O-C 3.57Å; S484-P488 VanDerWaalsContact O-CA 3.25Å; S484-P488 WeakPolarHBondContact O-CA 3.47Å
485Y93.9Very high93.4Very high181 Ų18149.9 Ų49.971%0.7125%0.249SC*.Hα-helixtrans-63.4-44.2173.5174.1-96000111E481 L482 F483E481-Y485 PolarHBondContact O-N 3.34Å; L482-Y485 WeakPolarHBondContact O-CB 3.05Å; L482-Y485 PolarHBondContact O-N 3.32Å; F483-Y485 VanDerWaalsContact C-N 3.28Å; F483-Y485 PolarHBondContact O-N 3.36Å
486Y91.2Very high93.4Very high73 Ų7349.9 Ų49.929%0.28625%0.249SC..Hα-helixtrans-76.8-29.1177.6-71.7-69.3000113.4C139 E142 L143 I146 L482 F483 P488C139-Y486 HydrophobicContact CB-CD1 3.49Å; C139-Y486 VanDerWaalsContact CB-CD1 3.49Å; C139-Y486 HydrophobicContact CB-CE1 4.15Å; C139-Y486 HydrophobicContact CB-CG 3.99Å; E142-Y486 HydrophobicContact CB-CE1 4.1Å; E142-Y486 HydrophobicContact CB-CE2 4.02Å; E142-Y486 HydrophobicContact CG-CE1 4.28Å; L143-Y486 HydrophobicContact CD2-CD2 4.17Å; L143-Y486 HydrophobicContact CD2-CG 4.33Å; I146-Y486 HydrophobicContact CD1-CD2 4.03Å; I146-Y486 HydrophobicContact CD1-CE2 3.69Å; L482-Y486 VanDerWaalsContact O-CD2 3.24Å; L482-Y486 WeakPolarHBondContact O-CD2 3.47Å; L482-Y486 PolarHBondContact O-N 2.99Å; F483-Y486 PolarHBondContact O-N 2.83Å; Y486-P488 VanDerWaalsContact C-CD 3.41Å; Y486-P488 WeakPolarHBondContact O-CD 3.11Å
487L90.9Very high93.4Very high14 Ų1448.9 Ų48.97%0.07324%0.242CC..  trans-123.565-177.7-59.9176000111.6P135 H136 L143 F483 S484 K489 A490 L495 I498P135-L487 HydrophobicContact CB-CD2 4.41Å; H136-L487 HydrophobicContact CB-CD2 3.96Å; L143-L487 HydrophobicContact CD1-CD1 3.99Å; L143-L487 HydrophobicContact CD1-CG 4.38Å; F483-L487 WeakPolarHBondContact O-CB 3.45Å; F483-L487 PolarHBondContact O-N 2.78Å; S484-L487 CarbonylContact O-C 3.57Å; L487-K489 PolarHBondContact O-N 3.02Å; L487-A490 HydrophobicContact CB-CB 4.03Å; L487-A490 WeakPolarHBondContact O-CB 3.34Å; L487-A490 PolarHBondContact O-N 3.06Å; L487-L495 HydrophobicContact CB-CD2 3.95Å; L487-L495 HydrophobicContact CD1-CD2 4.39Å; L487-I498 HydrophobicContact CD1-CD1 3.71Å; L487-I498 HydrophobicContact CD1-CG2 4.14Å
488P89.1Confident93.3Very high101 Ų10148.2 Ų48.266%0.65624%0.238SC*.THydrogen-bonded Turntrans-68-12.9-169.627.3-37.1000114.9S484 Y486S484-P488 VanDerWaalsContact O-CA 3.25Å; S484-P488 WeakPolarHBondContact O-CA 3.47Å; Y486-P488 VanDerWaalsContact C-CD 3.41Å; Y486-P488 WeakPolarHBondContact O-CD 3.11Å
489K87.7Confident93.3Very high185 Ų18542.8 Ų42.880%0.80421%0.213SC*.THydrogen-bonded Turntrans-98.6-5.1177.7-64.1-177.9-179.1175.20113.2L487L487-K489 PolarHBondContact O-N 3.02Å
490A90.7Very high93.2Very high26 Ų2642.2 Ų42.222%0.21521%0.211CC..SBendtrans-79.6141.7179.900000110.7L487 N494 L495L487-A490 HydrophobicContact CB-CB 4.03Å; L487-A490 WeakPolarHBondContact O-CB 3.34Å; L487-A490 PolarHBondContact O-N 3.06Å; A490-N494 HydrophobicContact CB-CB 4.48Å; A490-L495 HydrophobicContact CB-CD2 3.65Å; A490-L495 HydrophobicContact CB-CG 3.84Å
491T93.9Very high92.9Very high45 Ų4543.5 Ų43.528%0.27622%0.22SC..  trans-72.8160.6173.870.80000110.1S493 N494 L495 E526T491-S493 VanDerWaalsContact C-N 3.28Å; T491-S493 PolarHBondContact O-N 3.45Å; T491-N494 PolarHBondContact O-N 3.08Å; T491-N494 VanDerWaalsContact O-N 3.11Å; T491-N494 WeakPolarHBondContact OG1-CB 3.39Å; T491-N494 PolarHBondContact OG1-N 2.72Å; T491-N494 VanDerWaalsContact OG1-N 3.14Å; T491-L495 WeakPolarHBondContact O-CG 3.23Å; T491-L495 PolarHBondContact O-N 2.85Å; T491-E526 WeakPolarHBondContact CB-OE2 3.23Å; T491-E526 VanDerWaalsContact CG2-CD 3.46Å; T491-E526 HydrophobicContact CG2-CG 4.08Å; T491-E526 WeakPolarHBondContact CG2-OE1 3.41Å
492L96.1Very high92.6Very high2 Ų241.2 Ų41.21%0.0121%0.21CC..Hα-helixtrans-58-43177.2172.259.5000111.9I480 N494 L495 L496 L518 A522 L532 R535 Y536I480-L492 HydrophobicContact CG2-CD1 3.76Å; L492-N494 VanDerWaalsContact C-N 3.31Å; L492-N494 PolarHBondContact O-N 3.2Å; L492-L495 PolarHBondContact O-N 2.77Å; L492-L496 HydrophobicContact CD1-CD1 4.02Å; L492-L496 HydrophobicContact CD1-CG 4.14Å; L492-L496 HydrophobicContact CG-CD1 4.05Å; L492-L496 WeakPolarHBondContact O-CD1 3.36Å; L492-L496 VanDerWaalsContact O-CG 3.28Å; L492-L496 WeakPolarHBondContact O-CG 3.29Å; L492-L496 PolarHBondContact O-N 3.05Å; L492-L518 HydrophobicContact CD2-CD2 4.45Å; L492-A522 HydrophobicContact CB-CB 4.2Å; L492-A522 HydrophobicContact CD2-CB 3.86Å; L492-A522 HydrophobicContact CG-CB 3.98Å; L492-L532 HydrophobicContact CB-CD1 4.22Å; L492-L532 HydrophobicContact CD1-CD1 4.02Å; L492-R535 HydrophobicContact CD2-CB 4.41Å; L492-R535 HydrophobicContact CD2-CG 3.82Å; L492-Y536 HydrophobicContact CD1-CD2 3.86Å; L492-Y536 HydrophobicContact CD2-CD2 4.39Å
493S94.8Very high92.5Very high8 Ų837.4 Ų37.46%0.05619%0.19CC..Hα-helixtrans-59.6-41.9176.5-173.50000111.9T491 L496 D497 D523T491-S493 VanDerWaalsContact C-N 3.28Å; T491-S493 PolarHBondContact O-N 3.45Å; S493-L496 PolarHBondContact O-N 3.25Å; S493-D497 PolarHBondContact O-N 2.79Å; S493-D497 VanDerWaalsContact O-N 3.13Å; S493-D523 WeakPolarHBondContact CB-OD1 3.39Å; S493-D523 PolarHBondContact OG-OD1 2.94Å; S493-D523 PolarHBondContact OG-OD2 2.91Å
494N92.3Very high92.4Very high28 Ų2839.1 Ų39.115%0.1521%0.205CC..Hα-helixtrans-69.2-42.6177-174.6-118.9000112.4V29 A490 T491 L492 L496 D497 I498V29-N494 PolarHBondContact O-ND2 3.24Å; V29-N494 VanDerWaalsContact O-ND2 3.08Å; A490-N494 HydrophobicContact CB-CB 4.48Å; T491-N494 PolarHBondContact O-N 3.08Å; T491-N494 VanDerWaalsContact O-N 3.11Å; T491-N494 WeakPolarHBondContact OG1-CB 3.39Å; T491-N494 PolarHBondContact OG1-N 2.72Å; T491-N494 VanDerWaalsContact OG1-N 3.14Å; L492-N494 VanDerWaalsContact C-N 3.31Å; L492-N494 PolarHBondContact O-N 3.2Å; N494-L496 VanDerWaalsContact C-N 3.26Å; N494-L496 PolarHBondContact O-N 2.89Å; N494-D497 PolarHBondContact O-N 3.22Å; N494-I498 VanDerWaalsContact O-CG1 3.27Å; N494-I498 WeakPolarHBondContact O-CG1 3.37Å; N494-I498 PolarHBondContact O-N 2.7Å; N494-I498 VanDerWaalsContact OD1-CD1 3.3Å; N494-I498 WeakPolarHBondContact OD1-CD1 3.45Å
495L94.5Very high92.3Very high0 Ų039.2 Ų39.20%020%0.203CC..Hα-helixtrans-56-42.2175.2-70.3171.5000111.5I480 F483 L487 A490 T491 L492 I498 F499 L532I480-L495 HydrophobicContact CG2-CB 4.46Å; I480-L495 HydrophobicContact CG2-CD1 4.41Å; F483-L495 HydrophobicContact CB-CD2 4.13Å; L487-L495 HydrophobicContact CB-CD2 3.95Å; L487-L495 HydrophobicContact CD1-CD2 4.39Å; A490-L495 HydrophobicContact CB-CD2 3.65Å; A490-L495 HydrophobicContact CB-CG 3.84Å; T491-L495 WeakPolarHBondContact O-CG 3.23Å; T491-L495 PolarHBondContact O-N 2.85Å; L492-L495 PolarHBondContact O-N 2.77Å; L495-I498 PolarHBondContact O-N 3.09Å; L495-F499 VanDerWaalsContact O-CB 3.31Å; L495-F499 WeakPolarHBondContact O-CB 3.47Å; L495-F499 PolarHBondContact O-N 3.49Å; L495-L532 HydrophobicContact CD1-CD1 4.16Å
496L94.7Very high92.3Very high0 Ų033 Ų330%018%0.182CC..Hα-helixtrans-66.9-42.3177.5-68.2159.3000112.7P475 I480 L492 S493 N494 I498 F499 V500 I515 L518 K519 Y536P475-L496 HydrophobicContact CB-CD2 4.49Å; P475-L496 HydrophobicContact CG-CD2 4.34Å; I480-L496 HydrophobicContact CD1-CD2 3.8Å; I480-L496 HydrophobicContact CD1-CG 4.48Å; I480-L496 HydrophobicContact CG1-CD2 4.14Å; L492-L496 HydrophobicContact CD1-CD1 4.02Å; L492-L496 HydrophobicContact CD1-CG 4.14Å; L492-L496 HydrophobicContact CG-CD1 4.05Å; L492-L496 WeakPolarHBondContact O-CD1 3.36Å; L492-L496 VanDerWaalsContact O-CG 3.28Å; L492-L496 WeakPolarHBondContact O-CG 3.29Å; L492-L496 PolarHBondContact O-N 3.05Å; S493-L496 PolarHBondContact O-N 3.25Å; N494-L496 VanDerWaalsContact C-N 3.26Å; N494-L496 PolarHBondContact O-N 2.89Å; L496-I498 VanDerWaalsContact C-N 3.34Å; L496-F499 PolarHBondContact O-N 2.85Å; L496-V500 WeakPolarHBondContact O-CG2 3.38Å; L496-V500 PolarHBondContact O-N 3.17Å; L496-I515 HydrophobicContact CB-CD1 3.9Å; L496-L518 HydrophobicContact CD1-CD2 3.28Å; L496-K519 HydrophobicContact CB-CG 4.35Å; L496-K519 HydrophobicContact CD1-CG 3.98Å; L496-Y536 HydrophobicContact CD2-CE2 4.43Å
497D92.3Very high92.3Very high26 Ų2634.9 Ų34.914%0.13919%0.193CC..Hα-helixtrans-63.5-41.5175.5-85.2-23.2000111.1K24 V29 S493 N494 S501 K519K24-D497 IonicContact NZ-OD2 3.85Å; V29-D497 HydrophobicContact CB-CB 4.24Å; V29-D497 HydrophobicContact CG1-CB 3.31Å; V29-D497 HydrophobicContact CG2-CB 3.94Å; S493-D497 PolarHBondContact O-N 2.79Å; S493-D497 VanDerWaalsContact O-N 3.13Å; N494-D497 PolarHBondContact O-N 3.22Å; D497-S501 WeakPolarHBondContact O-CB 3.38Å; D497-S501 PolarHBondContact O-N 3.42Å; D497-S501 PolarHBondContact O-OG 3.49Å; D497-K519 VanDerWaalsContact OD1-CE 3.25Å; D497-K519 WeakPolarHBondContact OD1-CE 3.25Å; D497-K519 IonicContact OD1-NZ 3.38Å; D497-K519 PolarHBondContact OD1-NZ 3.46Å; D497-K519 WeakPolarHBondContact OD2-CE 3.46Å; D497-K519 IonicContact OD2-NZ 2.59Å; D497-K519 PolarHBondContact OD2-NZ 3.19Å
498I91.4Very high92.5Very high4 Ų440.1 Ų40.12%0.02122%0.221CC..Hα-helixtrans-63.6-47.3176.7-66.7174.1000109.4F26 V29 V30 F483 L487 N494 L495 L496 V500 S501 L502F26-I498 HydrophobicContact CE2-CG2 3.99Å; V29-I498 HydrophobicContact CG1-CB 4.49Å; V29-I498 HydrophobicContact CG1-CG1 3.68Å; V30-I498 HydrophobicContact CG2-CD1 4.47Å; V30-I498 HydrophobicContact CG2-CG1 4.3Å; F483-I498 HydrophobicContact CD1-CG2 4.15Å; F483-I498 HydrophobicContact CE1-CG2 3.81Å; L487-I498 HydrophobicContact CD1-CD1 3.71Å; L487-I498 HydrophobicContact CD1-CG2 4.14Å; N494-I498 VanDerWaalsContact O-CG1 3.27Å; N494-I498 WeakPolarHBondContact O-CG1 3.37Å; N494-I498 PolarHBondContact O-N 2.7Å; N494-I498 VanDerWaalsContact OD1-CD1 3.3Å; N494-I498 WeakPolarHBondContact OD1-CD1 3.45Å; L495-I498 PolarHBondContact O-N 3.09Å; L496-I498 VanDerWaalsContact C-N 3.34Å; I498-V500 PolarHBondContact O-N 3.36Å; I498-S501 WeakPolarHBondContact CA-OG 3.5Å; I498-S501 PolarHBondContact O-N 3.17Å; I498-S501 PolarHBondContact O-OG 3.11Å; I498-L502 HydrophobicContact CG2-CD1 3.95Å; I498-L502 HydrophobicContact CG2-CG 4.49Å; I498-L502 WeakPolarHBondContact O-CB 3.47Å; I498-L502 WeakPolarHBondContact O-CG 3.47Å; I498-L502 PolarHBondContact O-N 2.9Å
499F94.5Very high92.8Very high0 Ų037.8 Ų37.80%020%0.201CC..Hα-helixtrans-57.6-50.5178-178.2-86.2000112L149 P475 Q479 I480 F483 L495 L496 S501 L502 S503 M512L149-F499 HydrophobicContact CD1-CE1 4.02Å; L149-F499 HydrophobicContact CD1-CZ 4.16Å; L149-F499 HydrophobicContact CD2-CZ 3.94Å; P475-F499 HydrophobicContact CB-CD1 3.73Å; P475-F499 HydrophobicContact CB-CE1 3.54Å; P475-F499 HydrophobicContact CB-CG 4.37Å; P475-F499 HydrophobicContact CB-CZ 4.04Å; P475-F499 HydrophobicContact CG-CD1 3.59Å; P475-F499 HydrophobicContact CG-CE1 3.6Å; Q479-F499 HydrophobicContact CB-CD2 4.5Å; Q479-F499 HydrophobicContact CB-CE2 3.72Å; Q479-F499 HydrophobicContact CB-CZ 4.24Å; Q479-F499 HydrophobicContact CG-CE2 4.13Å; Q479-F499 HydrophobicContact CG-CZ 4.41Å; I480-F499 HydrophobicContact CD1-CB 4.01Å; I480-F499 HydrophobicContact CD1-CD2 4.14Å; I480-F499 HydrophobicContact CD1-CG 4.01Å; F483-F499 HydrophobicContact CD1-CB 4.19Å; F483-F499 HydrophobicContact CD1-CD2 4.46Å; F483-F499 AromaticContact CD2-CD2 3.94Å; F483-F499 HydrophobicContact CD2-CD2 3.94Å; F483-F499 HydrophobicContact CE1-CB 3.91Å; F483-F499 HydrophobicContact CE1-CD2 4.13Å; F483-F499 AromaticContact CE2-CD2 3.56Å; F483-F499 HydrophobicContact CE2-CD2 3.56Å; F483-F499 HydrophobicContact CE2-CE2 4.12Å; F483-F499 HydrophobicContact CG-CD2 4.38Å; F483-F499 HydrophobicContact CZ-CB 4.26Å; F483-F499 AromaticContact CZ-CD2 3.69Å; F483-F499 HydrophobicContact CZ-CD2 3.69Å; F483-F499 HydrophobicContact CZ-CG 4.38Å; L495-F499 VanDerWaalsContact O-CB 3.31Å; L495-F499 WeakPolarHBondContact O-CB 3.47Å; L495-F499 PolarHBondContact O-N 3.49Å; L496-F499 PolarHBondContact O-N 2.85Å; F499-S501 VanDerWaalsContact C-N 3.31Å; F499-S501 PolarHBondContact O-N 3.45Å; F499-L502 PolarHBondContact O-N 2.95Å; F499-S503 WeakPolarHBondContact O-CB 3.29Å; F499-S503 PolarHBondContact O-N 2.78Å; F499-M512 HydrophobicContact CE1-CE 4.03Å
500V92.5Very high93.3Very high9 Ų929.2 Ų29.26%0.05516%0.164CC..Hα-helixtrans-66.4-34.7-178.9171.90000111.8L496 I498 S503 M512 I515L496-V500 WeakPolarHBondContact O-CG2 3.38Å; L496-V500 PolarHBondContact O-N 3.17Å; I498-V500 PolarHBondContact O-N 3.36Å; V500-S503 PolarHBondContact O-N 2.84Å; V500-S503 PolarHBondContact O-OG 3.32Å; V500-M512 HydrophobicContact CG1-CG 4.17Å; V500-M512 HydrophobicContact CG2-CE 4.46Å; V500-M512 HydrophobicContact CG2-CG 3.89Å; V500-M512 HydrophobicContact CG2-SD 4.32Å; V500-I515 HydrophobicContact CB-CD1 4.43Å; V500-I515 HydrophobicContact CG2-CD1 3.59Å; V500-I515 HydrophobicContact CG2-CG1 4.44Å
501S89.6Confident93.5Very high27 Ų2728.3 Ų28.319%0.18916%0.156CC..Hα-helixtrans-74.1-31.4178.253.50000113.5F26 D497 I498 F499F26-S501 WeakPolarHBondContact CD2-OG 3.36Å; D497-S501 WeakPolarHBondContact O-CB 3.38Å; D497-S501 PolarHBondContact O-N 3.42Å; D497-S501 PolarHBondContact O-OG 3.49Å; I498-S501 WeakPolarHBondContact CA-OG 3.5Å; I498-S501 PolarHBondContact O-N 3.17Å; I498-S501 PolarHBondContact O-OG 3.11Å; F499-S501 VanDerWaalsContact C-N 3.31Å; F499-S501 PolarHBondContact O-N 3.45Å
502L90.8Very high93.6Very high23 Ų2326.9 Ų26.912%0.1215%0.146CC..Hα-helixtrans-85.7-11.6172.8-66.9-179.1000113.8F26 L140 L143 S147 F483 I498 F499 A504F26-L502 HydrophobicContact CD1-CD2 4.29Å; F26-L502 HydrophobicContact CD2-CD1 4.43Å; F26-L502 HydrophobicContact CD2-CD2 3.52Å; F26-L502 HydrophobicContact CD2-CG 3.72Å; F26-L502 HydrophobicContact CE1-CD2 4.22Å; F26-L502 HydrophobicContact CE2-CD1 3.69Å; F26-L502 HydrophobicContact CE2-CD2 3.43Å; F26-L502 VanDerWaalsContact CE2-CD2 3.43Å; F26-L502 HydrophobicContact CE2-CG 3.47Å; F26-L502 VanDerWaalsContact CE2-CG 3.47Å; F26-L502 HydrophobicContact CG-CD2 3.97Å; F26-L502 HydrophobicContact CZ-CD1 4.15Å; F26-L502 HydrophobicContact CZ-CD2 3.81Å; F26-L502 HydrophobicContact CZ-CG 4.21Å; L140-L502 HydrophobicContact CD1-CD1 4.09Å; L140-L502 HydrophobicContact CD1-CD2 3.87Å; L143-L502 HydrophobicContact CB-CD1 3.75Å; L143-L502 HydrophobicContact CD1-CD1 4.2Å; S147-L502 WeakPolarHBondContact OG-CB 3.48Å; S147-L502 PolarHBondContact OG-O 3Å; F483-L502 HydrophobicContact CE1-CD1 4.34Å; F483-L502 HydrophobicContact CZ-CD1 4.49Å; I498-L502 HydrophobicContact CG2-CD1 3.95Å; I498-L502 HydrophobicContact CG2-CG 4.49Å; I498-L502 WeakPolarHBondContact O-CB 3.47Å; I498-L502 WeakPolarHBondContact O-CG 3.47Å; I498-L502 PolarHBondContact O-N 2.9Å; F499-L502 PolarHBondContact O-N 2.95Å; L502-A504 PolarHBondContact O-N 3.11Å; L502-A504 VanDerWaalsContact O-N 3.13Å
503S92.3Very high93.5Very high6 Ų626.8 Ų26.84%0.04215%0.145CC..  trans-63.7116.4-174.163.40000113.3R23 S147 F499 V500R23-S503 PolarHBondContact NH2-O 2.83Å; R23-S503 PolarHBondContact NH2-OG 2.89Å; S147-S503 VanDerWaalsContact O-CA 3.29Å; S147-S503 WeakPolarHBondContact O-CA 3.49Å; F499-S503 WeakPolarHBondContact O-CB 3.29Å; F499-S503 PolarHBondContact O-N 2.78Å; V500-S503 PolarHBondContact O-N 2.84Å; V500-S503 PolarHBondContact O-OG 3.32Å
504A92.6Very high93.3Very high37 Ų3729 Ų2931%0.30616%0.156SC..BIsolated β-bridgetrans-83.4125.7166.600000108.4S147 L149 R150 L502S147-A504 PolarHBondContact O-N 3.22Å; L149-A504 CarbonylContact C-O 3.53Å; L149-A504 WeakPolarHBondContact CA-O 3.38Å; L149-A504 WeakPolarHBondContact CB-O 3.45Å; L149-A504 PolarHBondContact N-O 3.21Å; R150-A504 HydrophobicContact CG-CB 4.28Å; L502-A504 PolarHBondContact O-N 3.11Å; L502-A504 VanDerWaalsContact O-N 3.13Å
505L92.6Very high93.2Very high28 Ų2827.9 Ų27.915%0.14715%0.15CC..  trans-130.1154.117666.7163.2000109.5R23 E507 F510R23-L505 VanDerWaalsContact NH1-CD2 3.26Å; L505-E507 HydrophobicContact CD1-CG 4.07Å; L505-E507 HydrophobicContact CD2-CG 3.93Å; L505-E507 HydrophobicContact CG-CG 3.68Å; L505-E507 PolarHBondContact O-N 3.16Å; L505-E507 VanDerWaalsContact O-N 3.11Å; L505-F510 WeakPolarHBondContact CD1-O 3.43Å
506D93.3Very high93Very high50 Ų5030.7 Ų30.727%0.26717%0.165SC..  trans-73.596.8160.2174.74.4000107.8D508 H509 F510D506-D508 PolarHBondContact O-N 3.39Å; D506-D508 PolarHBondContact OD1-N 2.98Å; D506-D508 VanDerWaalsContact OD1-N 3.11Å; D506-H509 PolarHBondContact O-N 2.91Å; D506-H509 IonicContact OD1-ND1 3.74Å; D506-H509 IonicContact OD2-CE1 3Å; D506-H509 IonicContact OD2-CG 3.5Å; D506-H509 IonicContact OD2-ND1 2.96Å; D506-H509 PolarHBondContact OD2-ND1 3.31Å; D506-F510 HydrophobicContact CB-CD2 4.15Å; D506-F510 PolarHBondContact O-N 2.95Å
507E91.9Very high92.9Very high114 Ų11432.3 Ų32.353%0.53317%0.174SC..THydrogen-bonded Turntrans-66.3-15.1-176.2-67.8-170.5175.400112.7R23 K470 L505R23-E507 IonicContact NH1-OE1 3.65Å; K470-E507 WeakPolarHBondContact CD-O 3.49Å; K470-E507 WeakPolarHBondContact CE-O 3.37Å; K470-E507 PolarHBondContact NZ-O 3.2Å; L505-E507 HydrophobicContact CD1-CG 4.07Å; L505-E507 HydrophobicContact CD2-CG 3.93Å; L505-E507 HydrophobicContact CG-CG 3.68Å; L505-E507 PolarHBondContact O-N 3.16Å; L505-E507 VanDerWaalsContact O-N 3.11Å
508D94.5Very high92.9Very high124 Ų12431.6 Ų31.666%0.66317%0.17SC*.THydrogen-bonded Turntrans-76.7-35.5178.4-68.8-30.1000111.1D506D506-D508 PolarHBondContact O-N 3.39Å; D506-D508 PolarHBondContact OD1-N 2.98Å; D506-D508 VanDerWaalsContact OD1-N 3.11Å
509H96.2Very high93.1Very high51 Ų5132.6 Ų32.624%0.23617%0.174CC..THydrogen-bonded Turntrans-113.3-17-174.8-54.4102.3000115.1L291 E294 L295 K470 A471 D506L291-H509 HydrophobicContact CD1-CB 4.44Å; E294-H509 IonicContact OE2-CD2 3.24Å; E294-H509 IonicContact OE2-NE2 3.45Å; L295-H509 HydrophobicContact CD2-CB 3.86Å; K470-H509 CarbonylContact C-O 3.59Å; K470-H509 WeakPolarHBondContact CA-O 3.34Å; A471-H509 PolarHBondContact N-O 3.07Å; D506-H509 PolarHBondContact O-N 2.91Å; D506-H509 IonicContact OD1-ND1 3.74Å; D506-H509 IonicContact OD2-CE1 3Å; D506-H509 IonicContact OD2-CG 3.5Å; D506-H509 IonicContact OD2-ND1 2.96Å; D506-H509 PolarHBondContact OD2-ND1 3.31Å
510F97.5Very high93.1Very high6 Ų635 Ų353%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-128.7160-174.9-61.8-79.5000113.9P152 T269 L273 L295 A471 L473 L505 D506P152-F510 HydrophobicContact CG-CD1 4.43Å; P152-F510 HydrophobicContact CG-CD2 4.42Å; P152-F510 HydrophobicContact CG-CE1 3.73Å; P152-F510 HydrophobicContact CG-CE2 3.72Å; P152-F510 HydrophobicContact CG-CZ 3.3Å; T269-F510 HydrophobicContact CG2-CD1 4.4Å; T269-F510 HydrophobicContact CG2-CE1 3.87Å; L273-F510 HydrophobicContact CD1-CE1 4.46Å; L273-F510 HydrophobicContact CD1-CZ 4.46Å; L295-F510 HydrophobicContact CD2-CD1 4.45Å; L295-F510 HydrophobicContact CD2-CE1 3.63Å; L295-F510 HydrophobicContact CD2-CE2 3.81Å; L295-F510 HydrophobicContact CD2-CZ 3.27Å; A471-F510 HydrophobicContact CB-CD1 4.03Å; A471-F510 HydrophobicContact CB-CE1 4.21Å; A471-F510 CarbonylContact O-C 3.58Å; A471-F510 VanDerWaalsContact O-CA 3.26Å; A471-F510 WeakPolarHBondContact O-CA 3.34Å; L473-F510 HydrophobicContact CD1-CB 3.81Å; L473-F510 HydrophobicContact CD1-CD1 3.85Å; L473-F510 HydrophobicContact CD1-CG 3.83Å; L473-F510 HydrophobicContact CD2-CD1 3.95Å; L473-F510 HydrophobicContact CD2-CE1 4.18Å; L473-F510 HydrophobicContact CG-CB 4.21Å; L473-F510 HydrophobicContact CG-CD1 3.75Å; L473-F510 HydrophobicContact CG-CE1 4.46Å; L473-F510 HydrophobicContact CG-CG 4.19Å; L505-F510 WeakPolarHBondContact CD1-O 3.43Å; D506-F510 HydrophobicContact CB-CD2 4.15Å; D506-F510 PolarHBondContact O-N 2.95Å
511F95.8Very high93.4Very high7 Ų734.7 Ų34.73%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-143.7156.816769.8-88.8000111.1F20 D261 L262 K470 A471 G472 L473F20-F511 HydrophobicContact CD1-CB 3.64Å; F20-F511 HydrophobicContact CD1-CG 4.26Å; F20-F511 HydrophobicContact CE1-CB 3.19Å; F20-F511 HydrophobicContact CE1-CD1 4.18Å; F20-F511 HydrophobicContact CE1-CD2 4.18Å; F20-F511 AromaticContact CE1-CG 3.61Å; F20-F511 HydrophobicContact CE1-CG 3.61Å; F20-F511 HydrophobicContact CZ-CB 4.17Å; D261-F511 WeakPolarHBondContact O-CZ 3.4Å; L262-F511 HydrophobicContact CD2-CD2 4.26Å; L262-F511 HydrophobicContact CD2-CE2 3.78Å; L262-F511 HydrophobicContact CD2-CZ 4.1Å; K470-F511 HydrophobicContact CB-CD1 3.75Å; K470-F511 HydrophobicContact CB-CE1 4.44Å; A471-F511 VanDerWaalsContact C-CE1 3.4Å; A471-F511 WeakPolarHBondContact O-CD1 3.28Å; A471-F511 PolarHBondContact O-N 3.19Å; G472-F511 CarbonylContact C-O 3.51Å; G472-F511 VanDerWaalsContact CA-CZ 3.47Å; G472-F511 WeakPolarHBondContact CA-O 3.4Å; G472-F511 VanDerWaalsContact N-CE1 3.28Å; L473-F511 PolarHBondContact N-O 3.42Å
512M94.5Very high93.7Very high14 Ų1433.4 Ų33.47%0.06917%0.174CC..EExtended strand (participates in β ladder)trans-80.3123.3173-17360.765.300110.3I21 L149 P475 F499 V500I21-M512 WeakPolarHBondContact CD1-O 3.33Å; L149-M512 HydrophobicContact CD1-CE 3.36Å; P475-M512 HydrophobicContact CG-SD 4.18Å; F499-M512 HydrophobicContact CE1-CE 4.03Å; V500-M512 HydrophobicContact CG1-CG 4.17Å; V500-M512 HydrophobicContact CG2-CE 4.46Å; V500-M512 HydrophobicContact CG2-CG 3.89Å; V500-M512 HydrophobicContact CG2-SD 4.32Å
513C95.4Very high94Very high0 Ų036.5 Ų36.50%019%0.191CC..PPolyproline II helixtrans-62.5157173.2-76.60000111.6L262 W266 G472 L473 F474 I515L262-C513 CarbonylContact O-C 3.55Å; L262-C513 VanDerWaalsContact O-CA 3.26Å; L262-C513 WeakPolarHBondContact O-CA 3.29Å; L262-C513 WeakPolarHBondContact O-CB 3.43Å; W266-C513 PolarHBondContact N-SG 3.28Å; G472-C513 VanDerWaalsContact CA-SG 3.6Å; L473-C513 WeakPolarHBondContact O-CB 3.26Å; L473-C513 PolarHBondContact O-N 2.97Å; F474-C513 HydrophobicContact CD2-CB 4.04Å; C513-I515 PolarHBondContact O-N 2.93Å
514N90.7Very high94.3Very high54 Ų5438.1 Ų38.129%0.28920%0.198SC..PPolyproline II helixtrans-66.6122.4-178.8-168.8-10.8000111.1L262 D516L262-N514 PolarHBondContact O-N 3.43Å; N514-D516 PolarHBondContact ND2-OD2 2.98Å; N514-D516 WeakPolarHBondContact OD1-CB 3.16Å; N514-D516 PolarHBondContact OD1-N 2.97Å; N514-D516 PolarHBondContact OD1-OD2 3.39Å; N514-D516 VanDerWaalsContact OD1-OD2 3.11Å
515I90.5Very high94.5Very high5 Ų536.4 Ų36.43%0.02618%0.184CC..  trans-102.54.1177.557.5162000113.5F474 L496 V500 C513 D517 L518 K519F474-I515 HydrophobicContact CD2-CG2 4.16Å; F474-I515 HydrophobicContact CE2-CG2 3.58Å; F474-I515 HydrophobicContact CZ-CG2 4.09Å; L496-I515 HydrophobicContact CB-CD1 3.9Å; V500-I515 HydrophobicContact CB-CD1 4.43Å; V500-I515 HydrophobicContact CG2-CD1 3.59Å; V500-I515 HydrophobicContact CG2-CG1 4.44Å; C513-I515 PolarHBondContact O-N 2.93Å; I515-D517 PolarHBondContact O-N 3.21Å; I515-L518 PolarHBondContact O-N 2.7Å; I515-K519 HydrophobicContact CD1-CD 3.65Å; I515-K519 HydrophobicContact CD1-CG 4.2Å; I515-K519 HydrophobicContact CG1-CD 3.91Å; I515-K519 HydrophobicContact CG1-CG 4.42Å; I515-K519 WeakPolarHBondContact O-CB 3.36Å; I515-K519 WeakPolarHBondContact O-CG 3.47Å; I515-K519 PolarHBondContact O-N 3.18Å
516D90Very high94.7Very high59 Ų5938.3 Ų38.332%0.31619%0.192SC..Hα-helixtrans-60-43.3-174-72.8-26.5000113.1N514 K519 F520N514-D516 PolarHBondContact ND2-OD2 2.98Å; N514-D516 WeakPolarHBondContact OD1-CB 3.16Å; N514-D516 PolarHBondContact OD1-N 2.97Å; N514-D516 PolarHBondContact OD1-OD2 3.39Å; N514-D516 VanDerWaalsContact OD1-OD2 3.11Å; D516-K519 PolarHBondContact O-N 2.62Å; D516-F520 VanDerWaalsContact O-CB 3.26Å; D516-F520 WeakPolarHBondContact O-CB 3.4Å; D516-F520 PolarHBondContact O-N 3.11Å
517D90.9Very high94.9Very high35 Ų3541.5 Ų41.519%0.18721%0.205CC..Hα-helixtrans-67-41.2179.7-72.3-11.7000110.3Q263 I515 F520 L521 R545Q263-D517 PolarHBondContact NE2-OD2 2.87Å; I515-D517 PolarHBondContact O-N 3.21Å; D517-F520 PolarHBondContact O-N 2.89Å; D517-L521 VanDerWaalsContact O-CG 3.32Å; D517-L521 WeakPolarHBondContact O-CG 3.19Å; D517-L521 PolarHBondContact O-N 3.18Å; D517-R545 WeakPolarHBondContact OD1-CD 3.39Å; D517-R545 VanDerWaalsContact OD1-CG 3.3Å; D517-R545 WeakPolarHBondContact OD1-CG 2.95Å; D517-R545 IonicContact OD1-CZ 3.38Å; D517-R545 IonicContact OD1-NE 3.39Å; D517-R545 PolarHBondContact OD1-NE 3.33Å
518L94.2Very high95.1Very high11 Ų1136.3 Ų36.36%0.05818%0.181CC..Hα-helixtrans-62.6-47.8175.2-169.8168.7000110.6F474 L492 L496 I515 F520 L521 A522 Y536 C539 L540F474-L518 HydrophobicContact CE1-CD1 3.93Å; F474-L518 HydrophobicContact CZ-CD1 3.56Å; L492-L518 HydrophobicContact CD2-CD2 4.45Å; L496-L518 HydrophobicContact CD1-CD2 3.28Å; I515-L518 PolarHBondContact O-N 2.7Å; L518-F520 PolarHBondContact O-N 3.33Å; L518-L521 PolarHBondContact O-N 2.92Å; L518-A522 WeakPolarHBondContact O-CB 3.24Å; L518-A522 PolarHBondContact O-N 3.47Å; L518-Y536 HydrophobicContact CD1-CE2 4.23Å; L518-C539 HydrophobicContact CD2-CB 3.83Å; L518-C539 HydrophobicContact CG-CB 3.77Å; L518-L540 HydrophobicContact CD1-CD2 3.77Å
519K94Very high95.2Very high24 Ų2435.4 Ų35.410%0.10418%0.182CC..Hα-helixtrans-60.6-43.6176.9-74.5174.459.3-173.10112.6L496 D497 I515 D516 L521 A522 D523L496-K519 HydrophobicContact CB-CG 4.35Å; L496-K519 HydrophobicContact CD1-CG 3.98Å; D497-K519 VanDerWaalsContact OD1-CE 3.25Å; D497-K519 WeakPolarHBondContact OD1-CE 3.25Å; D497-K519 IonicContact OD1-NZ 3.38Å; D497-K519 PolarHBondContact OD1-NZ 3.46Å; D497-K519 WeakPolarHBondContact OD2-CE 3.46Å; D497-K519 IonicContact OD2-NZ 2.59Å; D497-K519 PolarHBondContact OD2-NZ 3.19Å; I515-K519 HydrophobicContact CD1-CD 3.65Å; I515-K519 HydrophobicContact CD1-CG 4.2Å; I515-K519 HydrophobicContact CG1-CD 3.91Å; I515-K519 HydrophobicContact CG1-CG 4.42Å; I515-K519 WeakPolarHBondContact O-CB 3.36Å; I515-K519 WeakPolarHBondContact O-CG 3.47Å; I515-K519 PolarHBondContact O-N 3.18Å; D516-K519 PolarHBondContact O-N 2.62Å; K519-L521 VanDerWaalsContact C-N 3.31Å; K519-L521 PolarHBondContact O-N 3.33Å; K519-A522 WeakPolarHBondContact O-CB 3.46Å; K519-A522 PolarHBondContact O-N 3.32Å; K519-D523 PolarHBondContact O-N 2.98Å
520F95.7Very high95.3Very high52 Ų5234 Ų3423%0.22818%0.176CC..Hα-helixtrans-57.3-46.3176.4171.8-90.5000111.2D516 D517 L518 M524 R545D516-F520 VanDerWaalsContact O-CB 3.26Å; D516-F520 WeakPolarHBondContact O-CB 3.4Å; D516-F520 PolarHBondContact O-N 3.11Å; D517-F520 PolarHBondContact O-N 2.89Å; L518-F520 PolarHBondContact O-N 3.33Å; F520-M524 HydrophobicContact CE1-SD 4.19Å; F520-M524 HydrophobicContact CZ-SD 4.45Å; F520-M524 WeakPolarHBondContact O-CB 3.33Å; F520-M524 PolarHBondContact O-N 2.77Å; F520-M524 VanDerWaalsContact O-N 3.08Å; F520-R545 HydrophobicContact CB-CB 4.44Å; F520-R545 HydrophobicContact CD1-CB 3.39Å; F520-R545 HydrophobicContact CD2-CB 4.22Å; F520-R545 HydrophobicContact CE1-CB 3.56Å; F520-R545 HydrophobicContact CE2-CB 4.35Å; F520-R545 HydrophobicContact CG-CB 3.75Å; F520-R545 HydrophobicContact CZ-CB 4.04Å
521L97.5Very high95.2Very high2 Ų236.9 Ų36.91%0.0120%0.201CC..Hα-helixtrans-65.2-41.4176.3-65.3174000111.5D517 L518 K519 M524 I525 C539 I543 F554D517-L521 VanDerWaalsContact O-CG 3.32Å; D517-L521 WeakPolarHBondContact O-CG 3.19Å; D517-L521 PolarHBondContact O-N 3.18Å; L518-L521 PolarHBondContact O-N 2.92Å; K519-L521 VanDerWaalsContact C-N 3.31Å; K519-L521 PolarHBondContact O-N 3.33Å; L521-M524 WeakPolarHBondContact O-CB 3.29Å; L521-M524 PolarHBondContact O-N 3.36Å; L521-I525 WeakPolarHBondContact O-CG1 3.43Å; L521-I525 PolarHBondContact O-N 3.01Å; L521-C539 HydrophobicContact CB-CB 4.11Å; L521-I543 HydrophobicContact CD1-CB 4.05Å; L521-I543 HydrophobicContact CD2-CB 4.3Å; L521-I543 HydrophobicContact CD2-CG2 3.9Å; L521-F554 HydrophobicContact CB-CE1 3.88Å; L521-F554 HydrophobicContact CB-CZ 4.04Å; L521-F554 HydrophobicContact CD2-CD1 3.83Å; L521-F554 HydrophobicContact CD2-CE1 3.78Å; L521-F554 HydrophobicContact CD2-CG 4.42Å; L521-F554 HydrophobicContact CD2-CZ 4.34Å; L521-F554 HydrophobicContact CG-CE1 4.34Å
522A97.6Very high95.2Very high0 Ų038.1 Ų38.10%021%0.208CC..Hα-helixtrans-59.9-48177.800000111.9L492 L518 K519 M524 I525 E526 C539L492-A522 HydrophobicContact CB-CB 4.2Å; L492-A522 HydrophobicContact CD2-CB 3.86Å; L492-A522 HydrophobicContact CG-CB 3.98Å; L518-A522 WeakPolarHBondContact O-CB 3.24Å; L518-A522 PolarHBondContact O-N 3.47Å; K519-A522 WeakPolarHBondContact O-CB 3.46Å; K519-A522 PolarHBondContact O-N 3.32Å; A522-M524 VanDerWaalsContact C-N 3.26Å; A522-M524 PolarHBondContact O-N 2.97Å; A522-I525 CarbonylContact O-C 3.6Å; A522-I525 PolarHBondContact O-N 3.28Å; A522-E526 PolarHBondContact O-N 2.98Å; A522-C539 VanDerWaalsContact CA-SG 3.54Å; A522-C539 PolarHBondContact N-SG 3.06Å; A522-C539 VanDerWaalsContact N-SG 3.42Å
523D97.3Very high95.3Very high88 Ų8844.5 Ų44.547%0.47123%0.231SC..Hα-helixtrans-61.1-36.8175.6-71.4-31000111.5S493 K519 I525 E526S493-D523 WeakPolarHBondContact CB-OD1 3.39Å; S493-D523 PolarHBondContact OG-OD1 2.94Å; S493-D523 PolarHBondContact OG-OD2 2.91Å; K519-D523 PolarHBondContact O-N 2.98Å; D523-I525 VanDerWaalsContact C-N 3.3Å; D523-I525 PolarHBondContact O-N 3.12Å; D523-E526 PolarHBondContact O-N 2.64Å
524M97.2Very high95.3Very high40 Ų4045.8 Ų45.820%0.19724%0.239CC..Hα-helixtrans-68.1-27-179-159.3175.899.800113.8F520 L521 A522 H527 C551 F554 L555F520-M524 HydrophobicContact CE1-SD 4.19Å; F520-M524 HydrophobicContact CZ-SD 4.45Å; F520-M524 WeakPolarHBondContact O-CB 3.33Å; F520-M524 PolarHBondContact O-N 2.77Å; F520-M524 VanDerWaalsContact O-N 3.08Å; L521-M524 WeakPolarHBondContact O-CB 3.29Å; L521-M524 PolarHBondContact O-N 3.36Å; A522-M524 VanDerWaalsContact C-N 3.26Å; A522-M524 PolarHBondContact O-N 2.97Å; M524-H527 PolarHBondContact O-CE1 2.69Å; M524-C551 VanDerWaalsContact CE-C 3.47Å; M524-C551 HydrophobicContact CE-CB 3.92Å; M524-C551 WeakPolarHBondContact CE-O 3.3Å; M524-C551 HydrophobicContact SD-CB 3.85Å; M524-F554 HydrophobicContact CE-CB 4.43Å; M524-F554 HydrophobicContact CE-CD1 3.57Å; M524-F554 HydrophobicContact CE-CE1 4.37Å; M524-F554 HydrophobicContact CE-CG 4.49Å; M524-L555 HydrophobicContact CE-CB 3.57Å
525I97.7Very high95.7Very high0 Ų044.4 Ų44.40%023%0.23CC..THydrogen-bonded Turntrans-112.313.7178.767173.8000113L521 A522 D523 H527 V528 L530 R535 F538 F554 L555 A558L521-I525 WeakPolarHBondContact O-CG1 3.43Å; L521-I525 PolarHBondContact O-N 3.01Å; A522-I525 CarbonylContact O-C 3.6Å; A522-I525 PolarHBondContact O-N 3.28Å; D523-I525 VanDerWaalsContact C-N 3.3Å; D523-I525 PolarHBondContact O-N 3.12Å; I525-H527 VanDerWaalsContact C-N 3.33Å; I525-H527 PolarHBondContact O-N 3.38Å; I525-V528 HydrophobicContact CB-CB 4.35Å; I525-V528 HydrophobicContact CB-CG2 4.15Å; I525-V528 VanDerWaalsContact O-CB 3.31Å; I525-V528 WeakPolarHBondContact O-CB 3.46Å; I525-V528 PolarHBondContact O-N 3.26Å; I525-L530 HydrophobicContact CD1-CD1 4.1Å; I525-R535 HydrophobicContact CD1-CG 3.84Å; I525-R535 HydrophobicContact CG1-CG 4.14Å; I525-F538 HydrophobicContact CD1-CB 4.17Å; I525-F554 HydrophobicContact CD1-CE1 4.18Å; I525-F554 HydrophobicContact CD1-CZ 3.82Å; I525-F554 HydrophobicContact CG1-CE1 4.43Å; I525-F554 HydrophobicContact CG2-CD1 4.02Å; I525-F554 HydrophobicContact CG2-CE1 3.44Å; I525-F554 VanDerWaalsContact CG2-CE1 3.44Å; I525-F554 HydrophobicContact CG2-CZ 4.1Å; I525-L555 HydrophobicContact CG2-CD1 4.1Å; I525-A558 HydrophobicContact CB-CB 4.28Å; I525-A558 HydrophobicContact CD1-CB 4.47Å; I525-A558 HydrophobicContact CG2-CB 3.72Å
526E96.8Very high96Very high68 Ų6844.6 Ų44.632%0.31823%0.23SC..THydrogen-bonded Turntrans-59.7-42.5-177.8179.754.9-154.300112T491 A522 D523 V528T491-E526 WeakPolarHBondContact CB-OE2 3.23Å; T491-E526 VanDerWaalsContact CG2-CD 3.46Å; T491-E526 HydrophobicContact CG2-CG 4.08Å; T491-E526 WeakPolarHBondContact CG2-OE1 3.41Å; A522-E526 PolarHBondContact O-N 2.98Å; D523-E526 PolarHBondContact O-N 2.64Å; E526-V528 PolarHBondContact O-N 2.75Å
527H96.3Very high96.3Very high118 Ų11843.4 Ų43.455%0.54622%0.223SC..THydrogen-bonded Turntrans-73.1-3.5176.862.4-81.4000113.9M524 I525M524-H527 PolarHBondContact O-CE1 2.69Å; I525-H527 VanDerWaalsContact C-N 3.33Å; I525-H527 PolarHBondContact O-N 3.38Å
528V97.9Very high96.6Very high4 Ų441.7 Ų41.72%0.02421%0.214CC..SBendtrans-90.5121.7177.3-172.70000108.7I525 E526 L530 R535 L555 A558 R559I525-V528 HydrophobicContact CB-CB 4.35Å; I525-V528 HydrophobicContact CB-CG2 4.15Å; I525-V528 VanDerWaalsContact O-CB 3.31Å; I525-V528 WeakPolarHBondContact O-CB 3.46Å; I525-V528 PolarHBondContact O-N 3.26Å; E526-V528 PolarHBondContact O-N 2.75Å; V528-L530 HydrophobicContact CG1-CD1 4.2Å; V528-L530 HydrophobicContact CG1-CG 4.06Å; V528-L530 PolarHBondContact O-N 3.34Å; V528-R535 PolarHBondContact O-NH2 3.33Å; V528-R535 VanDerWaalsContact O-NH2 3.15Å; V528-L555 HydrophobicContact CG2-CD1 3.83Å; V528-A558 HydrophobicContact CG1-CB 4.42Å; V528-R559 HydrophobicContact CG1-CG 4.43Å; V528-R559 HydrophobicContact CG2-CG 3.92Å
529P96.6Very high96.8Very high105 Ų10541.4 Ų41.468%0.68221%0.213SC*.  trans-73.395.1-176.225.3-27.3000110.7S562P529-S562 WeakPolarHBondContact CD-OG 3.36Å; P529-S562 VanDerWaalsContact CG-OG 3.28Å; P529-S562 WeakPolarHBondContact CG-OG 3.46Å; P529-S562 PolarHBondContact O-OG 2.55Å
530L96.9Very high96.8Very high21 Ų2143 Ų4311%0.1122%0.222CC..  trans-125.2147.8176.5-64.7172.1000110.5I525 V528 V534 R535 A558 F561I525-L530 HydrophobicContact CD1-CD1 4.1Å; V528-L530 HydrophobicContact CG1-CD1 4.2Å; V528-L530 HydrophobicContact CG1-CG 4.06Å; V528-L530 PolarHBondContact O-N 3.34Å; L530-V534 HydrophobicContact CD2-CG1 4.06Å; L530-R535 HydrophobicContact CB-CB 4.3Å; L530-R535 VanDerWaalsContact O-CZ 3.25Å; L530-R535 PolarHBondContact O-NH1 3.05Å; L530-R535 PolarHBondContact O-NH2 3.26Å; L530-A558 HydrophobicContact CD1-CB 4.23Å; L530-F561 HydrophobicContact CD2-CD1 3.76Å; L530-F561 HydrophobicContact CD2-CE1 4.38Å
531A95.6Very high96.8Very high67 Ų6740.8 Ų40.855%0.55421%0.214SC*.  trans-62.7150.1166.500000110.2R533 V534 R535A531-R533 PolarHBondContact O-N 2.98Å; A531-V534 HydrophobicContact CB-CG2 4.28Å; A531-V534 PolarHBondContact O-N 3.29Å; A531-V534 VanDerWaalsContact O-N 3.16Å; A531-R535 PolarHBondContact O-N 3.32Å
532L95.8Very high96.4Very high33 Ų3344.8 Ų44.817%0.17324%0.24CC..Hα-helixtrans-54.4-49.5-177-179.668.3000112.3E481 L492 L495 V534 R535 Y536E481-L532 HydrophobicContact CG-CD2 4.11Å; L492-L532 HydrophobicContact CB-CD1 4.22Å; L492-L532 HydrophobicContact CD1-CD1 4.02Å; L495-L532 HydrophobicContact CD1-CD1 4.16Å; L532-V534 VanDerWaalsContact C-N 3.32Å; L532-V534 PolarHBondContact O-N 3.32Å; L532-R535 WeakPolarHBondContact O-CB 3.37Å; L532-R535 PolarHBondContact O-N 3.48Å; L532-R535 VanDerWaalsContact O-N 3.15Å; L532-Y536 WeakPolarHBondContact O-CB 3.39Å; L532-Y536 PolarHBondContact O-N 3.26Å
533R96Very high96.3Very high149 Ų14945.2 Ų45.256%0.56224%0.242SC*.Hα-helixtrans-54.5-46.8177.8-176.4162.1-170.8-146.94.9112.8L477 E481 A531 Y536 L537L477-R533 HydrophobicContact CD1-CG 4.48Å; L477-R533 HydrophobicContact CD2-CG 3.81Å; E481-R533 WeakPolarHBondContact OE1-CB 3.26Å; A531-R533 PolarHBondContact O-N 2.98Å; R533-Y536 PolarHBondContact O-N 2.9Å; R533-L537 HydrophobicContact CG-CD1 4.12Å; R533-L537 WeakPolarHBondContact O-CB 3.32Å; R533-L537 VanDerWaalsContact O-CG 3.3Å; R533-L537 WeakPolarHBondContact O-CG 3.2Å; R533-L537 PolarHBondContact O-N 2.92Å
534V97.3Very high95.8Very high26 Ų2642.8 Ų42.816%0.15823%0.232CC..Hα-helixtrans-63.5-48.2178.1177.20000110L530 A531 L532 Y536 L537 F538 F561 F609L530-V534 HydrophobicContact CD2-CG1 4.06Å; A531-V534 HydrophobicContact CB-CG2 4.28Å; A531-V534 PolarHBondContact O-N 3.29Å; A531-V534 VanDerWaalsContact O-N 3.16Å; L532-V534 VanDerWaalsContact C-N 3.32Å; L532-V534 PolarHBondContact O-N 3.32Å; V534-Y536 PolarHBondContact O-N 3.41Å; V534-L537 PolarHBondContact O-N 2.83Å; V534-F538 HydrophobicContact CG1-CD2 3.78Å; V534-F538 HydrophobicContact CG1-CE2 3.83Å; V534-F538 WeakPolarHBondContact O-CD2 3.04Å; V534-F538 PolarHBondContact O-N 3.2Å; V534-F561 HydrophobicContact CG1-CD1 3.98Å; V534-F561 HydrophobicContact CG1-CE1 3.45Å; V534-F561 VanDerWaalsContact CG1-CE1 3.45Å; V534-F561 HydrophobicContact CG1-CZ 3.94Å; V534-F561 HydrophobicContact CG2-CE1 4.34Å; V534-F609 HydrophobicContact CB-CZ 4.41Å; V534-F609 HydrophobicContact CG1-CE1 4.39Å; V534-F609 HydrophobicContact CG1-CZ 4.04Å; V534-F609 HydrophobicContact CG2-CE1 4.13Å; V534-F609 HydrophobicContact CG2-CZ 4.39Å
535R97.6Very high95.5Very high26 Ų2645.2 Ų45.210%0.09824%0.239CC..Hα-helixtrans-58-47.2178.8-173-176.8-70.890.94.4111.5L492 I525 V528 L530 A531 L532 F538 C539L492-R535 HydrophobicContact CD2-CB 4.41Å; L492-R535 HydrophobicContact CD2-CG 3.82Å; I525-R535 HydrophobicContact CD1-CG 3.84Å; I525-R535 HydrophobicContact CG1-CG 4.14Å; V528-R535 PolarHBondContact O-NH2 3.33Å; V528-R535 VanDerWaalsContact O-NH2 3.15Å; L530-R535 HydrophobicContact CB-CB 4.3Å; L530-R535 VanDerWaalsContact O-CZ 3.25Å; L530-R535 PolarHBondContact O-NH1 3.05Å; L530-R535 PolarHBondContact O-NH2 3.26Å; A531-R535 PolarHBondContact O-N 3.32Å; L532-R535 WeakPolarHBondContact O-CB 3.37Å; L532-R535 PolarHBondContact O-N 3.48Å; L532-R535 VanDerWaalsContact O-N 3.15Å; R535-F538 WeakPolarHBondContact O-CB 3.42Å; R535-F538 PolarHBondContact O-N 2.92Å; R535-C539 PolarHBondContact O-N 2.95Å; R535-C539 PolarHBondContact O-SG 3.38Å
536Y97.6Very high95Very high8 Ų852.3 Ų52.33%0.03127%0.27CS..Hα-helixtrans-61.2-48.9178.8-175.1-88.2000111.4F474 P475 L477 I480 L492 L496 L518 L532 R533 V534 F538 C539 L540F474-Y536 WeakPolarHBondContact CE1-OH 3.31Å; P475-Y536 PolarHBondContact O-OH 2.6Å; L477-Y536 HydrophobicContact CB-CD1 4.03Å; L477-Y536 HydrophobicContact CB-CE1 3.87Å; L477-Y536 HydrophobicContact CD1-CD1 3.65Å; L477-Y536 HydrophobicContact CD1-CE1 4.31Å; L477-Y536 HydrophobicContact CD1-CG 3.78Å; L477-Y536 HydrophobicContact CG-CD1 4.33Å; I480-Y536 HydrophobicContact CB-CE2 4.5Å; I480-Y536 HydrophobicContact CG1-CE2 4.06Å; I480-Y536 HydrophobicContact CG2-CD2 4.41Å; L492-Y536 HydrophobicContact CD1-CD2 3.86Å; L492-Y536 HydrophobicContact CD2-CD2 4.39Å; L496-Y536 HydrophobicContact CD2-CE2 4.43Å; L518-Y536 HydrophobicContact CD1-CE2 4.23Å; L532-Y536 WeakPolarHBondContact O-CB 3.39Å; L532-Y536 PolarHBondContact O-N 3.26Å; R533-Y536 PolarHBondContact O-N 2.9Å; V534-Y536 PolarHBondContact O-N 3.41Å; Y536-F538 VanDerWaalsContact C-N 3.34Å; Y536-F538 PolarHBondContact O-N 3.37Å; Y536-C539 PolarHBondContact O-N 3.23Å; Y536-C539 VanDerWaalsContact O-N 3.09Å; Y536-L540 HydrophobicContact CD1-CD1 3.94Å; Y536-L540 HydrophobicContact CD1-CG 4.26Å; Y536-L540 HydrophobicContact CE1-CD1 3.49Å; Y536-L540 VanDerWaalsContact CE1-CD1 3.49Å; Y536-L540 HydrophobicContact CE1-CD2 4.34Å; Y536-L540 HydrophobicContact CE1-CG 3.95Å; Y536-L540 PolarHBondContact O-N 3.09Å; Y536-L540 VanDerWaalsContact O-N 3.17Å
537L96.1Very high94.8Very high34 Ų3450.9 Ų50.918%0.17826%0.263CS..Hα-helixtrans-60.2-41176-72.1172.1000112.1R533 V534 C539 L540 W604 F609R533-L537 HydrophobicContact CG-CD1 4.12Å; R533-L537 WeakPolarHBondContact O-CB 3.32Å; R533-L537 VanDerWaalsContact O-CG 3.3Å; R533-L537 WeakPolarHBondContact O-CG 3.2Å; R533-L537 PolarHBondContact O-N 2.92Å; V534-L537 PolarHBondContact O-N 2.83Å; L537-C539 VanDerWaalsContact C-N 3.3Å; L537-C539 PolarHBondContact O-N 2.85Å; L537-L540 PolarHBondContact O-N 2.86Å; L537-W604 WeakPolarHBondContact O-CH2 3.43Å; L537-W604 WeakPolarHBondContact O-CZ3 3.47Å; L537-F609 HydrophobicContact CB-CE2 4.27Å; L537-F609 HydrophobicContact CB-CZ 3.95Å; L537-F609 HydrophobicContact CD1-CE1 4.29Å; L537-F609 HydrophobicContact CD1-CZ 3.8Å
538F97.8Very high94.7Very high0 Ų047.2 Ų47.20%025%0.249CC..Hα-helixtrans-57.8-42.8173.7-97.9-106.8000112I525 V534 R535 Y536 L540 A541 F554 A558 F561 L605 F609 F613I525-F538 HydrophobicContact CD1-CB 4.17Å; V534-F538 HydrophobicContact CG1-CD2 3.78Å; V534-F538 HydrophobicContact CG1-CE2 3.83Å; V534-F538 WeakPolarHBondContact O-CD2 3.04Å; V534-F538 PolarHBondContact O-N 3.2Å; R535-F538 WeakPolarHBondContact O-CB 3.42Å; R535-F538 PolarHBondContact O-N 2.92Å; Y536-F538 VanDerWaalsContact C-N 3.34Å; Y536-F538 PolarHBondContact O-N 3.37Å; F538-L540 PolarHBondContact O-N 3.29Å; F538-A541 VanDerWaalsContact O-CB 3.25Å; F538-A541 WeakPolarHBondContact O-CB 3.37Å; F538-A541 PolarHBondContact O-N 3.4Å; F538-F554 HydrophobicContact CB-CE2 3.92Å; F538-F554 HydrophobicContact CB-CZ 4.13Å; F538-F554 HydrophobicContact CD1-CD2 4.27Å; F538-F554 AromaticContact CD1-CE2 3.68Å; F538-F554 HydrophobicContact CD1-CE2 3.68Å; F538-F554 HydrophobicContact CD1-CZ 4.35Å; F538-F554 HydrophobicContact CG-CE2 4.29Å; F538-F554 WeakPolarHBondContact O-CE2 3.34Å; F538-A558 HydrophobicContact CD1-CB 4.18Å; F538-A558 HydrophobicContact CE1-CB 4.14Å; F538-F561 HydrophobicContact CE2-CD1 4.25Å; F538-F561 AromaticContact CE2-CD2 3.88Å; F538-F561 HydrophobicContact CE2-CD2 3.88Å; F538-F561 HydrophobicContact CE2-CE1 4.49Å; F538-F561 HydrophobicContact CE2-CE2 4.08Å; F538-F561 AromaticContact CE2-CG 3.95Å; F538-F561 HydrophobicContact CE2-CG 3.95Å; F538-F561 HydrophobicContact CE2-CZ 4.39Å; F538-F561 HydrophobicContact CZ-CB 3.86Å; F538-F561 HydrophobicContact CZ-CD1 4.42Å; F538-F561 AromaticContact CZ-CD2 3.73Å; F538-F561 HydrophobicContact CZ-CD2 3.73Å; F538-F561 HydrophobicContact CZ-CE2 4.37Å; F538-F561 AromaticContact CZ-CG 3.74Å; F538-F561 HydrophobicContact CZ-CG 3.74Å; F538-L605 HydrophobicContact CD1-CD1 4.09Å; F538-L605 HydrophobicContact CD1-CD2 4.08Å; F538-L605 HydrophobicContact CD2-CD2 3.91Å; F538-L605 HydrophobicContact CE1-CD1 3.78Å; F538-L605 HydrophobicContact CE1-CD2 4.21Å; F538-L605 HydrophobicContact CE2-CD2 4.07Å; F538-L605 HydrophobicContact CG-CD2 3.93Å; F538-L605 HydrophobicContact CZ-CD1 4.2Å; F538-L605 HydrophobicContact CZ-CD2 4.22Å; F538-F609 AromaticContact CD2-CE2 3.78Å; F538-F609 HydrophobicContact CD2-CE2 3.78Å; F538-F609 HydrophobicContact CD2-CZ 4.34Å; F538-F609 HydrophobicContact CE2-CD2 4.02Å; F538-F609 AromaticContact CE2-CE2 3.67Å; F538-F609 HydrophobicContact CE2-CE2 3.67Å; F538-F609 HydrophobicContact CE2-CZ 4.36Å; F538-F613 HydrophobicContact CZ-CE2 4.23Å; F538-F613 HydrophobicContact CZ-CZ 4.08Å
539C97.2Very high94.7Very high4 Ų449.7 Ų49.73%0.02726%0.26CS..Hα-helixtrans-74.9-10.9-178.1-58.50000113.9L518 L521 A522 R535 Y536 L537L518-C539 HydrophobicContact CD2-CB 3.83Å; L518-C539 HydrophobicContact CG-CB 3.77Å; L521-C539 HydrophobicContact CB-CB 4.11Å; A522-C539 VanDerWaalsContact CA-SG 3.54Å; A522-C539 PolarHBondContact N-SG 3.06Å; A522-C539 VanDerWaalsContact N-SG 3.42Å; R535-C539 PolarHBondContact O-N 2.95Å; R535-C539 PolarHBondContact O-SG 3.38Å; Y536-C539 PolarHBondContact O-N 3.23Å; Y536-C539 VanDerWaalsContact O-N 3.09Å; L537-C539 VanDerWaalsContact C-N 3.3Å; L537-C539 PolarHBondContact O-N 2.85Å
540L95.1Very high94.7Very high57 Ų5744.8 Ų44.830%0.29823%0.228SC..THydrogen-bonded Turntrans-84.9-8170.8-72-178.5000113.4F474 L518 Y536 L537 F538 W604F474-L540 HydrophobicContact CE1-CD2 3.98Å; F474-L540 HydrophobicContact CZ-CD2 4.35Å; L518-L540 HydrophobicContact CD1-CD2 3.77Å; Y536-L540 HydrophobicContact CD1-CD1 3.94Å; Y536-L540 HydrophobicContact CD1-CG 4.26Å; Y536-L540 HydrophobicContact CE1-CD1 3.49Å; Y536-L540 VanDerWaalsContact CE1-CD1 3.49Å; Y536-L540 HydrophobicContact CE1-CD2 4.34Å; Y536-L540 HydrophobicContact CE1-CG 3.95Å; Y536-L540 PolarHBondContact O-N 3.09Å; Y536-L540 VanDerWaalsContact O-N 3.17Å; L537-L540 PolarHBondContact O-N 2.86Å; F538-L540 PolarHBondContact O-N 3.29Å; L540-W604 HydrophobicContact CB-CH2 3.63Å; L540-W604 HydrophobicContact CB-CZ2 3.9Å; L540-W604 WeakPolarHBondContact O-CZ2 3.07Å
541A95Very high94.7Very high6 Ų644 Ų445%0.0522%0.224CC..SBendtrans-59.4144.3174.400000110.4F538 I543 W604F538-A541 VanDerWaalsContact O-CB 3.25Å; F538-A541 WeakPolarHBondContact O-CB 3.37Å; F538-A541 PolarHBondContact O-N 3.4Å; A541-I543 HydrophobicContact CB-CD1 3.85Å; A541-I543 HydrophobicContact CB-CG1 4.07Å; A541-I543 PolarHBondContact O-N 3.09Å; A541-W604 HydrophobicContact CB-CD2 4.17Å; A541-W604 HydrophobicContact CB-CE3 3.7Å; A541-W604 HydrophobicContact CB-CZ3 3.95Å
542P90.2Very high94.8Very high86 Ų8642.4 Ų42.456%0.55821%0.214SC*.  trans-75.265.6-172.632.3-37.5000112.4W604P542-W604 HydrophobicContact CG-CG 4.42Å
543I93.5Very high94.9Very high9 Ų941 Ų415%0.04621%0.206CC..  trans-111.4124.9-172.4-61173.3000109.5L521 A541 V550 F554 A601L521-I543 HydrophobicContact CD1-CB 4.05Å; L521-I543 HydrophobicContact CD2-CB 4.3Å; L521-I543 HydrophobicContact CD2-CG2 3.9Å; A541-I543 HydrophobicContact CB-CD1 3.85Å; A541-I543 HydrophobicContact CB-CG1 4.07Å; A541-I543 PolarHBondContact O-N 3.09Å; I543-V550 HydrophobicContact CG1-CG1 4.44Å; I543-V550 HydrophobicContact CG2-CG1 3.9Å; I543-F554 HydrophobicContact CD1-CB 3.81Å; I543-F554 HydrophobicContact CD1-CD2 3.29Å; I543-F554 HydrophobicContact CD1-CE2 4.01Å; I543-F554 HydrophobicContact CD1-CG 3.72Å; I543-A601 HydrophobicContact CD1-CB 4.08Å; I543-A601 HydrophobicContact CG1-CB 4.12Å
544S88.7Confident95.1Very high37 Ų3734 Ų3426%0.25918%0.18SC..  trans-86127.4176.2-169.40000111.7K546 K547S544-K546 PolarHBondContact O-N 3.3Å; S544-K546 PolarHBondContact OG-N 3.35Å; S544-K547 PolarHBondContact O-N 3.47Å; S544-K547 VanDerWaalsContact O-N 3.07Å
545R89.2Confident95.1Very high92 Ų9234.1 Ų34.135%0.34718%0.18SC..THydrogen-bonded Turntrans-59.8-13.8170.168177.6168140.3-3.7114.5D517 F520 K547D517-R545 WeakPolarHBondContact OD1-CD 3.39Å; D517-R545 VanDerWaalsContact OD1-CG 3.3Å; D517-R545 WeakPolarHBondContact OD1-CG 2.95Å; D517-R545 IonicContact OD1-CZ 3.38Å; D517-R545 IonicContact OD1-NE 3.39Å; D517-R545 PolarHBondContact OD1-NE 3.33Å; F520-R545 HydrophobicContact CB-CB 4.44Å; F520-R545 HydrophobicContact CD1-CB 3.39Å; F520-R545 HydrophobicContact CD2-CB 4.22Å; F520-R545 HydrophobicContact CE1-CB 3.56Å; F520-R545 HydrophobicContact CE2-CB 4.35Å; F520-R545 HydrophobicContact CG-CB 3.75Å; F520-R545 HydrophobicContact CZ-CB 4.04Å; R545-K547 VanDerWaalsContact C-N 3.28Å
546K88.9Confident95.1Very high149 Ų14936.8 Ų36.865%0.64819%0.19SC*.THydrogen-bonded Turntrans-81.4-4.8177.7-59.8179.9-177174.30113.3S544 P548S544-K546 PolarHBondContact O-N 3.3Å; S544-K546 PolarHBondContact OG-N 3.35Å; K546-P548 WeakPolarHBondContact O-CD 3.35Å
547K92.3Very high95.2Very high38 Ų3836.4 Ų36.417%0.16519%0.189CC..  trans-116.589.9-177.4-66.6-177170.7-167.10110S544 R545 F549 V550 C551 E594 D597S544-K547 PolarHBondContact O-N 3.47Å; S544-K547 VanDerWaalsContact O-N 3.07Å; R545-K547 VanDerWaalsContact C-N 3.28Å; K547-F549 VanDerWaalsContact C-N 3.28Å; K547-F549 PolarHBondContact O-N 3.29Å; K547-V550 HydrophobicContact CB-CB 4.03Å; K547-V550 HydrophobicContact CB-CG2 3.73Å; K547-V550 HydrophobicContact CD-CG2 4.04Å; K547-V550 PolarHBondContact O-N 2.72Å; K547-C551 PolarHBondContact O-N 2.62Å; K547-C551 PolarHBondContact O-SG 3.08Å; K547-E594 HydrophobicContact CD-CG 4.11Å; K547-E594 HydrophobicContact CG-CG 4.36Å; K547-D597 WeakPolarHBondContact CD-OD2 3.33Å; K547-D597 WeakPolarHBondContact CE-OD2 3.41Å; K547-D597 IonicContact NZ-OD1 3.86Å; K547-D597 IonicContact NZ-OD2 3.55Å; K547-D597 PolarHBondContact NZ-OD2 3.22Å
548P94.5Very high95.3Very high40 Ų4034.8 Ų34.826%0.2618%0.18SC..Hα-helixtrans-61.7-33.7-173.4-24.835.4000113.6K546 C551 G552 L680 L685K546-P548 WeakPolarHBondContact O-CD 3.35Å; P548-C551 PolarHBondContact O-N 3.03Å; P548-G552 PolarHBondContact O-N 3.04Å; P548-L680 WeakPolarHBondContact CB-O 3.31Å; P548-L680 WeakPolarHBondContact CG-O 3.12Å; P548-L685 HydrophobicContact CB-CD2 3.91Å
549F96.2Very high95.3Very high56 Ų5637.2 Ų37.225%0.24619%0.189CC..Hα-helixtrans-63.5-48.2176.5178.2-102.3000111.9K547 C551 G552 M553 L576 H591 E594 V595 V598K547-F549 VanDerWaalsContact C-N 3.28Å; K547-F549 PolarHBondContact O-N 3.29Å; F549-C551 VanDerWaalsContact C-N 3.29Å; F549-C551 PolarHBondContact O-N 2.88Å; F549-G552 PolarHBondContact O-N 2.89Å; F549-G552 VanDerWaalsContact O-N 3.14Å; F549-M553 HydrophobicContact CE1-CG 4.24Å; F549-M553 HydrophobicContact CZ-CG 4.15Å; F549-M553 PolarHBondContact O-N 3.38Å; F549-L576 HydrophobicContact CE1-CD2 4.12Å; F549-L576 HydrophobicContact CZ-CD2 3.75Å; F549-H591 AromaticContact CD2-CE1 3.89Å; F549-H591 AromaticContact CE1-CE1 3.78Å; F549-H591 AromaticContact CE2-CE1 3.63Å; F549-H591 AromaticContact CZ-CE1 3.57Å; F549-E594 WeakPolarHBondContact CB-OE2 3.4Å; F549-E594 HydrophobicContact CD1-CB 3.95Å; F549-V595 HydrophobicContact CE1-CG2 3.77Å; F549-V595 HydrophobicContact CZ-CG2 4.17Å; F549-V598 HydrophobicContact CD1-CG2 4.15Å; F549-V598 HydrophobicContact CE1-CG2 3.89Å
550V97.4Very high95.3Very high2 Ų238.4 Ų38.41%0.01219%0.194CC..Hα-helixtrans-61.5-41.2177.7-172.90000110.3I543 K547 M553 F554 E594 D597 V598I543-V550 HydrophobicContact CG1-CG1 4.44Å; I543-V550 HydrophobicContact CG2-CG1 3.9Å; K547-V550 HydrophobicContact CB-CB 4.03Å; K547-V550 HydrophobicContact CB-CG2 3.73Å; K547-V550 HydrophobicContact CD-CG2 4.04Å; K547-V550 PolarHBondContact O-N 2.72Å; V550-M553 PolarHBondContact O-N 3.32Å; V550-F554 PolarHBondContact O-N 2.97Å; V550-E594 HydrophobicContact CG2-CB 3.93Å; V550-E594 HydrophobicContact CG2-CG 4.33Å; V550-E594 WeakPolarHBondContact CG2-O 3.38Å; V550-D597 HydrophobicContact CG1-CB 4.22Å; V550-D597 HydrophobicContact CG2-CB 3.91Å; V550-V598 HydrophobicContact CB-CG2 4.28Å; V550-V598 HydrophobicContact CG1-CG2 4.13Å; V550-V598 HydrophobicContact CG2-CG2 4.17Å
551C97.8Very high95.5Very high6 Ų637.1 Ų37.14%0.04119%0.186CC..Hα-helixtrans-61.2-47.1173.8-640000111.2M524 K547 P548 F549 M553 F554 L555M524-C551 VanDerWaalsContact CE-C 3.47Å; M524-C551 HydrophobicContact CE-CB 3.92Å; M524-C551 WeakPolarHBondContact CE-O 3.3Å; M524-C551 HydrophobicContact SD-CB 3.85Å; K547-C551 PolarHBondContact O-N 2.62Å; K547-C551 PolarHBondContact O-SG 3.08Å; P548-C551 PolarHBondContact O-N 3.03Å; F549-C551 VanDerWaalsContact C-N 3.29Å; F549-C551 PolarHBondContact O-N 2.88Å; C551-M553 VanDerWaalsContact C-N 3.27Å; C551-M553 PolarHBondContact O-N 2.94Å; C551-F554 WeakPolarHBondContact O-CB 3.32Å; C551-F554 PolarHBondContact O-N 3.04Å; C551-F554 VanDerWaalsContact O-N 3.12Å; C551-L555 PolarHBondContact O-N 3.08Å
552G97.7Very high95.6Very high33 Ų3338.5 Ų38.534%0.3420%0.195SC..Hα-helixtrans-54.9-42.6175.300000112.9P548 F549 L555 R556P548-G552 PolarHBondContact O-N 3.04Å; F549-G552 PolarHBondContact O-N 2.89Å; F549-G552 VanDerWaalsContact O-N 3.14Å; G552-L555 PolarHBondContact O-N 2.67Å; G552-R556 WeakPolarHBondContact O-CG 3.19Å; G552-R556 PolarHBondContact O-N 2.93Å; G552-R556 VanDerWaalsContact O-N 3.14Å
553M97.9Very high96Very high2 Ų241.9 Ų41.91%0.0120%0.197CC..Hα-helixtrans-67.6-39.9175.8-72.5-57.8-63.900113F549 V550 C551 L555 R556 Y557 T575 L576 V598F549-M553 HydrophobicContact CE1-CG 4.24Å; F549-M553 HydrophobicContact CZ-CG 4.15Å; F549-M553 PolarHBondContact O-N 3.38Å; V550-M553 PolarHBondContact O-N 3.32Å; C551-M553 VanDerWaalsContact C-N 3.27Å; C551-M553 PolarHBondContact O-N 2.94Å; M553-L555 PolarHBondContact O-N 3.01Å; M553-R556 WeakPolarHBondContact O-CB 3.46Å; M553-R556 PolarHBondContact O-N 2.96Å; M553-R556 VanDerWaalsContact O-N 3.13Å; M553-Y557 HydrophobicContact CE-CE1 3.85Å; M553-Y557 WeakPolarHBondContact O-CD1 3.35Å; M553-Y557 PolarHBondContact O-N 3.08Å; M553-T575 HydrophobicContact CE-CG2 3.6Å; M553-T575 HydrophobicContact SD-CG2 3.56Å; M553-T575 VanDerWaalsContact SD-CG2 3.56Å; M553-L576 HydrophobicContact CE-CD2 4.1Å; M553-L576 HydrophobicContact CE-CG 4.44Å; M553-L576 HydrophobicContact SD-CD2 4.43Å; M553-V598 HydrophobicContact CB-CB 4.48Å; M553-V598 HydrophobicContact CB-CG1 3.82Å; M553-V598 HydrophobicContact CB-CG2 3.73Å; M553-V598 HydrophobicContact CE-CG1 3.98Å; M553-V598 HydrophobicContact CG-CG1 3.97Å; M553-V598 HydrophobicContact CG-CG2 3.8Å
554F98.2Very high96.1Very high2 Ų244 Ų441%0.00922%0.221CC..Hα-helixtrans-56.8-45.9172.6171.2-106.6000112.9L521 M524 I525 F538 I543 V550 C551 R556 Y557 A558L521-F554 HydrophobicContact CB-CE1 3.88Å; L521-F554 HydrophobicContact CB-CZ 4.04Å; L521-F554 HydrophobicContact CD2-CD1 3.83Å; L521-F554 HydrophobicContact CD2-CE1 3.78Å; L521-F554 HydrophobicContact CD2-CG 4.42Å; L521-F554 HydrophobicContact CD2-CZ 4.34Å; L521-F554 HydrophobicContact CG-CE1 4.34Å; M524-F554 HydrophobicContact CE-CB 4.43Å; M524-F554 HydrophobicContact CE-CD1 3.57Å; M524-F554 HydrophobicContact CE-CE1 4.37Å; M524-F554 HydrophobicContact CE-CG 4.49Å; I525-F554 HydrophobicContact CD1-CE1 4.18Å; I525-F554 HydrophobicContact CD1-CZ 3.82Å; I525-F554 HydrophobicContact CG1-CE1 4.43Å; I525-F554 HydrophobicContact CG2-CD1 4.02Å; I525-F554 HydrophobicContact CG2-CE1 3.44Å; I525-F554 VanDerWaalsContact CG2-CE1 3.44Å; I525-F554 HydrophobicContact CG2-CZ 4.1Å; F538-F554 HydrophobicContact CB-CE2 3.92Å; F538-F554 HydrophobicContact CB-CZ 4.13Å; F538-F554 HydrophobicContact CD1-CD2 4.27Å; F538-F554 AromaticContact CD1-CE2 3.68Å; F538-F554 HydrophobicContact CD1-CE2 3.68Å; F538-F554 HydrophobicContact CD1-CZ 4.35Å; F538-F554 HydrophobicContact CG-CE2 4.29Å; F538-F554 WeakPolarHBondContact O-CE2 3.34Å; I543-F554 HydrophobicContact CD1-CB 3.81Å; I543-F554 HydrophobicContact CD1-CD2 3.29Å; I543-F554 HydrophobicContact CD1-CE2 4.01Å; I543-F554 HydrophobicContact CD1-CG 3.72Å; V550-F554 PolarHBondContact O-N 2.97Å; C551-F554 WeakPolarHBondContact O-CB 3.32Å; C551-F554 PolarHBondContact O-N 3.04Å; C551-F554 VanDerWaalsContact O-N 3.12Å; F554-R556 VanDerWaalsContact C-N 3.3Å; F554-R556 PolarHBondContact O-N 2.92Å; F554-Y557 WeakPolarHBondContact O-CB 3.45Å; F554-Y557 PolarHBondContact O-N 3.35Å; F554-Y557 VanDerWaalsContact O-N 3.17Å; F554-A558 PolarHBondContact O-N 3.3Å
555L98.3Very high96.5Very high29 Ų2945.9 Ų45.915%0.15223%0.226CC..Hα-helixtrans-62.7-38.3175.6173.960.1000111.7M524 I525 V528 C551 G552 M553 Y557 A558 R559M524-L555 HydrophobicContact CE-CB 3.57Å; I525-L555 HydrophobicContact CG2-CD1 4.1Å; V528-L555 HydrophobicContact CG2-CD1 3.83Å; C551-L555 PolarHBondContact O-N 3.08Å; G552-L555 PolarHBondContact O-N 2.67Å; M553-L555 PolarHBondContact O-N 3.01Å; L555-Y557 VanDerWaalsContact C-N 3.35Å; L555-A558 PolarHBondContact O-N 2.88Å; L555-R559 HydrophobicContact CD1-CG 4.08Å; L555-R559 WeakPolarHBondContact O-CB 3.35Å; L555-R559 VanDerWaalsContact O-CG 3.3Å; L555-R559 WeakPolarHBondContact O-CG 3.49Å; L555-R559 PolarHBondContact O-N 3.26Å
556R98.3Very high96.9Very high82 Ų8244.8 Ų44.831%0.30923%0.23SC..Hα-helixtrans-63.6-41.1174.2-70.8175.5176.5166.3-2.5111.3G552 M553 F554 R559 K560 W571 E692G552-R556 WeakPolarHBondContact O-CG 3.19Å; G552-R556 PolarHBondContact O-N 2.93Å; G552-R556 VanDerWaalsContact O-N 3.14Å; M553-R556 WeakPolarHBondContact O-CB 3.46Å; M553-R556 PolarHBondContact O-N 2.96Å; M553-R556 VanDerWaalsContact O-N 3.13Å; F554-R556 VanDerWaalsContact C-N 3.3Å; F554-R556 PolarHBondContact O-N 2.92Å; R556-R559 PolarHBondContact O-N 2.9Å; R556-K560 WeakPolarHBondContact O-CB 3.3Å; R556-K560 PolarHBondContact O-N 3.08Å; R556-W571 HydrophobicContact CB-CH2 3.99Å; R556-W571 HydrophobicContact CB-CZ2 4.28Å; R556-E692 IonicContact CZ-OE1 2.71Å; R556-E692 IonicContact NH2-OE1 2.75Å; R556-E692 PolarHBondContact NH2-OE1 3.12Å
557Y98.4Very high97.4Very high1 Ų137.7 Ų37.70%0.00420%0.199CC..Hα-helixtrans-61.3-51.1175-68-7.3000111.5M553 F554 L555 R559 K560 F561 L567 W571 V572 V598 Y602 L605 F613M553-Y557 HydrophobicContact CE-CE1 3.85Å; M553-Y557 WeakPolarHBondContact O-CD1 3.35Å; M553-Y557 PolarHBondContact O-N 3.08Å; F554-Y557 WeakPolarHBondContact O-CB 3.45Å; F554-Y557 PolarHBondContact O-N 3.35Å; F554-Y557 VanDerWaalsContact O-N 3.17Å; L555-Y557 VanDerWaalsContact C-N 3.35Å; Y557-R559 VanDerWaalsContact C-N 3.34Å; Y557-R559 PolarHBondContact O-N 3.38Å; Y557-K560 PolarHBondContact O-N 3.25Å; Y557-F561 VanDerWaalsContact O-CB 3.25Å; Y557-F561 WeakPolarHBondContact O-CB 3.35Å; Y557-F561 PolarHBondContact O-N 3.07Å; Y557-L567 HydrophobicContact CD1-CD2 3.54Å; Y557-L567 HydrophobicContact CE1-CD2 4.31Å; Y557-L567 HydrophobicContact CG-CD2 3.73Å; Y557-W571 AromaticContact CD1-CH2 3.78Å; Y557-W571 HydrophobicContact CD1-CH2 3.78Å; Y557-W571 AromaticContact CD1-CZ3 3.56Å; Y557-W571 HydrophobicContact CD1-CZ3 3.56Å; Y557-W571 HydrophobicContact CE1-CH2 4.03Å; Y557-W571 AromaticContact CE1-CZ3 3.52Å; Y557-W571 HydrophobicContact CE1-CZ3 3.52Å; Y557-V572 HydrophobicContact CE1-CG2 4.36Å; Y557-V598 HydrophobicContact CE2-CG1 4.32Å; Y557-V598 WeakPolarHBondContact OH-CG1 3.43Å; Y557-Y602 HydrophobicContact CE2-CD2 4.45Å; Y557-L605 HydrophobicContact CD2-CD1 4.12Å; Y557-F613 HydrophobicContact CD2-CE1 4.41Å
558A98.5Very high97.6Very high0 Ų037.4 Ų37.40%020%0.202CC..Hα-helixtrans-58.6-43.9178.800000112.3I525 V528 L530 F538 F554 L555 S562I525-A558 HydrophobicContact CB-CB 4.28Å; I525-A558 HydrophobicContact CD1-CB 4.47Å; I525-A558 HydrophobicContact CG2-CB 3.72Å; V528-A558 HydrophobicContact CG1-CB 4.42Å; L530-A558 HydrophobicContact CD1-CB 4.23Å; F538-A558 HydrophobicContact CD1-CB 4.18Å; F538-A558 HydrophobicContact CE1-CB 4.14Å; F554-A558 PolarHBondContact O-N 3.3Å; L555-A558 PolarHBondContact O-N 2.88Å; A558-S562 VanDerWaalsContact O-CB 3.25Å; A558-S562 WeakPolarHBondContact O-CB 3.5Å; A558-S562 PolarHBondContact O-N 2.81Å
559R98.3Very high97.8Very high51 Ų5135.5 Ų35.519%0.19219%0.19CC..Hα-helixtrans-63.8-44.1177.6-78.4173.3168.8170.8-5.4112.7V528 L555 R556 Y557 S562 R563V528-R559 HydrophobicContact CG1-CG 4.43Å; V528-R559 HydrophobicContact CG2-CG 3.92Å; L555-R559 HydrophobicContact CD1-CG 4.08Å; L555-R559 WeakPolarHBondContact O-CB 3.35Å; L555-R559 VanDerWaalsContact O-CG 3.3Å; L555-R559 WeakPolarHBondContact O-CG 3.49Å; L555-R559 PolarHBondContact O-N 3.26Å; R556-R559 PolarHBondContact O-N 2.9Å; Y557-R559 VanDerWaalsContact C-N 3.34Å; Y557-R559 PolarHBondContact O-N 3.38Å; R559-S562 PolarHBondContact O-N 3.39Å; R559-R563 WeakPolarHBondContact O-CG 3.26Å; R559-R563 PolarHBondContact O-N 3.09Å
560K98Very high97.9Very high29 Ų2939.4 Ų39.413%0.12621%0.209CC..Hα-helixtrans-68.1-43.5179.6-169168.3176.471.70111R556 Y557 S562 R563 E565 P566 L567 W571R556-K560 WeakPolarHBondContact O-CB 3.3Å; R556-K560 PolarHBondContact O-N 3.08Å; Y557-K560 PolarHBondContact O-N 3.25Å; K560-S562 VanDerWaalsContact C-N 3.34Å; K560-S562 PolarHBondContact O-N 2.88Å; K560-R563 PolarHBondContact O-N 3.35Å; K560-R563 VanDerWaalsContact O-N 3.13Å; K560-E565 HydrophobicContact CG-CB 3.8Å; K560-E565 IonicContact NZ-OE2 2.76Å; K560-E565 PolarHBondContact NZ-OE2 2.94Å; K560-E565 PolarHBondContact O-N 2.97Å; K560-P566 WeakPolarHBondContact CE-O 3.41Å; K560-L567 HydrophobicContact CB-CD2 4.49Å; K560-L567 HydrophobicContact CB-CG 4.33Å; K560-L567 HydrophobicContact CD-CG 4.13Å; K560-L567 HydrophobicContact CG-CG 4.25Å; K560-W571 HydrophobicContact CD-CD2 3.55Å; K560-W571 HydrophobicContact CD-CE3 3.9Å; K560-W571 HydrophobicContact CD-CG 4.02Å; K560-W571 HydrophobicContact CD-CH2 4.17Å; K560-W571 HydrophobicContact CD-CZ2 3.85Å; K560-W571 HydrophobicContact CD-CZ3 4.16Å
561F98.4Very high97.9Very high29 Ų2942.1 Ų42.113%0.12722%0.219CC..Hα-helixtrans-56.1-47.1173.5-171.7-78.7000112.1L530 V534 F538 Y557 R563 G564 L567 F609 M612 F613L530-F561 HydrophobicContact CD2-CD1 3.76Å; L530-F561 HydrophobicContact CD2-CE1 4.38Å; V534-F561 HydrophobicContact CG1-CD1 3.98Å; V534-F561 HydrophobicContact CG1-CE1 3.45Å; V534-F561 VanDerWaalsContact CG1-CE1 3.45Å; V534-F561 HydrophobicContact CG1-CZ 3.94Å; V534-F561 HydrophobicContact CG2-CE1 4.34Å; F538-F561 HydrophobicContact CE2-CD1 4.25Å; F538-F561 AromaticContact CE2-CD2 3.88Å; F538-F561 HydrophobicContact CE2-CD2 3.88Å; F538-F561 HydrophobicContact CE2-CE1 4.49Å; F538-F561 HydrophobicContact CE2-CE2 4.08Å; F538-F561 AromaticContact CE2-CG 3.95Å; F538-F561 HydrophobicContact CE2-CG 3.95Å; F538-F561 HydrophobicContact CE2-CZ 4.39Å; F538-F561 HydrophobicContact CZ-CB 3.86Å; F538-F561 HydrophobicContact CZ-CD1 4.42Å; F538-F561 AromaticContact CZ-CD2 3.73Å; F538-F561 HydrophobicContact CZ-CD2 3.73Å; F538-F561 HydrophobicContact CZ-CE2 4.37Å; F538-F561 AromaticContact CZ-CG 3.74Å; F538-F561 HydrophobicContact CZ-CG 3.74Å; Y557-F561 VanDerWaalsContact O-CB 3.25Å; Y557-F561 WeakPolarHBondContact O-CB 3.35Å; Y557-F561 PolarHBondContact O-N 3.07Å; F561-R563 PolarHBondContact O-N 3.37Å; F561-G564 PolarHBondContact O-N 3.23Å; F561-L567 HydrophobicContact CB-CD1 4.29Å; F561-L567 HydrophobicContact CD2-CD1 4.36Å; F561-F609 HydrophobicContact CE2-CB 3.71Å; F561-F609 AromaticContact CE2-CD1 3.98Å; F561-F609 HydrophobicContact CE2-CD1 3.98Å; F561-F609 HydrophobicContact CE2-CD2 4Å; F561-F609 AromaticContact CE2-CG 3.63Å; F561-F609 HydrophobicContact CE2-CG 3.63Å; F561-F609 HydrophobicContact CZ-CB 4.33Å; F561-F609 AromaticContact CZ-CD1 3.77Å; F561-F609 HydrophobicContact CZ-CD1 3.77Å; F561-F609 HydrophobicContact CZ-CD2 4.41Å; F561-F609 HydrophobicContact CZ-CE1 4.13Å; F561-F609 AromaticContact CZ-CG 3.92Å; F561-F609 HydrophobicContact CZ-CG 3.92Å; F561-M612 HydrophobicContact CD2-CB 3.66Å; F561-M612 HydrophobicContact CD2-CE 4.07Å; F561-M612 HydrophobicContact CD2-CG 3.87Å; F561-M612 HydrophobicContact CE2-CB 3.49Å; F561-M612 VanDerWaalsContact CE2-CB 3.49Å; F561-M612 HydrophobicContact CE2-CG 3.47Å; F561-M612 VanDerWaalsContact CE2-CG 3.47Å; F561-M612 HydrophobicContact CG-CE 4.28Å; F561-M612 HydrophobicContact CZ-CB 4.49Å; F561-M612 HydrophobicContact CZ-CG 4.02Å; F561-F613 AromaticContact CD2-CE2 3.76Å; F561-F613 HydrophobicContact CD2-CE2 3.76Å; F561-F613 HydrophobicContact CE2-CE2 4.11Å
562S97.9Very high97.9Very high35 Ų3541.8 Ų41.825%0.24522%0.217CC..Hα-helixtrans-60.4-25.5179.6176.90000113.7P529 A558 R559 K560 G564P529-S562 WeakPolarHBondContact CD-OG 3.36Å; P529-S562 VanDerWaalsContact CG-OG 3.28Å; P529-S562 WeakPolarHBondContact CG-OG 3.46Å; P529-S562 PolarHBondContact O-OG 2.55Å; A558-S562 VanDerWaalsContact O-CB 3.25Å; A558-S562 WeakPolarHBondContact O-CB 3.5Å; A558-S562 PolarHBondContact O-N 2.81Å; R559-S562 PolarHBondContact O-N 3.39Å; K560-S562 VanDerWaalsContact C-N 3.34Å; K560-S562 PolarHBondContact O-N 2.88Å; S562-G564 VanDerWaalsContact C-N 3.28Å
563R97.6Very high97.9Very high158 Ų15843.4 Ų43.460%0.59622%0.216SC*.THydrogen-bonded Turntrans-82.5-2.3175-65.7170.4-173.4169.42.2113.5R559 K560 F561 E565R559-R563 WeakPolarHBondContact O-CG 3.26Å; R559-R563 PolarHBondContact O-N 3.09Å; K560-R563 PolarHBondContact O-N 3.35Å; K560-R563 VanDerWaalsContact O-N 3.13Å; F561-R563 PolarHBondContact O-N 3.37Å; R563-E565 HydrophobicContact CB-CG 3.98Å; R563-E565 PolarHBondContact O-N 3.49Å
564G96.9Very high97.8Very high54 Ų5448.6 Ų48.656%0.55725%0.247SC*.THydrogen-bonded Turntrans68.521-173.400000113F561 S562F561-G564 PolarHBondContact O-N 3.23Å; S562-G564 VanDerWaalsContact C-N 3.28Å
565E96.9Very high97.7Very high75 Ų7550.1 Ų50.135%0.3526%0.257SS..  trans-93.5127.7178-66.3173.5-157.900110.4K560 R563 L567 M612K560-E565 HydrophobicContact CG-CB 3.8Å; K560-E565 IonicContact NZ-OE2 2.76Å; K560-E565 PolarHBondContact NZ-OE2 2.94Å; K560-E565 PolarHBondContact O-N 2.97Å; R563-E565 HydrophobicContact CB-CG 3.98Å; R563-E565 PolarHBondContact O-N 3.49Å; E565-L567 PolarHBondContact O-N 3.47Å; E565-M612 WeakPolarHBondContact O-CE 3.37Å
566P97.2Very high97.6Very high69 Ų6949.5 Ų49.545%0.44825%0.253SS..  trans-63.5137.8176.726.7-33.9000110.6K560 S568 P614K560-P566 WeakPolarHBondContact CE-O 3.41Å; P566-S568 VanDerWaalsContact C-N 3.32Å; P566-S568 PolarHBondContact O-N 3.47Å; P566-S568 VanDerWaalsContact O-N 3.12Å; P566-P614 HydrophobicContact CB-CG 4.31Å
567L98.2Very high97.4Very high0 Ų048 Ų480%026%0.264CS..  trans-85.475.5176.3-61.888.8000108.4Y557 K560 F561 E565 W571 Y602 M612 F613Y557-L567 HydrophobicContact CD1-CD2 3.54Å; Y557-L567 HydrophobicContact CE1-CD2 4.31Å; Y557-L567 HydrophobicContact CG-CD2 3.73Å; K560-L567 HydrophobicContact CB-CD2 4.49Å; K560-L567 HydrophobicContact CB-CG 4.33Å; K560-L567 HydrophobicContact CD-CG 4.13Å; K560-L567 HydrophobicContact CG-CG 4.25Å; F561-L567 HydrophobicContact CB-CD1 4.29Å; F561-L567 HydrophobicContact CD2-CD1 4.36Å; E565-L567 PolarHBondContact O-N 3.47Å; L567-W571 HydrophobicContact CB-CE3 4.48Å; L567-W571 HydrophobicContact CD2-CZ3 4.12Å; L567-Y602 HydrophobicContact CB-CE2 3.95Å; L567-Y602 WeakPolarHBondContact O-CE2 3.16Å; L567-Y602 VanDerWaalsContact O-CZ 3.29Å; L567-Y602 PolarHBondContact O-OH 3.25Å; L567-M612 HydrophobicContact CD1-CB 4.4Å; L567-M612 HydrophobicContact CD1-CE 4.4Å; L567-M612 WeakPolarHBondContact CD1-O 3.2Å; L567-M612 PolarHBondContact N-O 3.48Å; L567-F613 HydrophobicContact CB-CD1 4.31Å; L567-F613 HydrophobicContact CB-CE1 4.36Å; L567-F613 HydrophobicContact CD1-CD2 4.32Å; L567-F613 HydrophobicContact CD1-CE1 4.27Å; L567-F613 HydrophobicContact CD1-CE2 3.97Å; L567-F613 HydrophobicContact CD1-CZ 3.92Å; L567-F613 HydrophobicContact CD2-CD1 4.46Å; L567-F613 HydrophobicContact CD2-CE1 3.71Å; L567-F613 HydrophobicContact CD2-CZ 3.81Å; L567-F613 HydrophobicContact CG-CE1 4.34Å; L567-F613 HydrophobicContact CG-CZ 4.4Å
568S98Very high97.2Very high32 Ų3250.2 Ų50.222%0.22427%0.272CS..  trans-64.9156.1179.763.90000112.4P566 E570 W571 V572 D615P566-S568 VanDerWaalsContact C-N 3.32Å; P566-S568 PolarHBondContact O-N 3.47Å; P566-S568 VanDerWaalsContact O-N 3.12Å; S568-E570 VanDerWaalsContact C-N 3.25Å; S568-E570 PolarHBondContact O-N 3.12Å; S568-W571 PolarHBondContact O-N 2.89Å; S568-W571 VanDerWaalsContact O-N 3.13Å; S568-W571 PolarHBondContact OG-N 3.38Å; S568-V572 PolarHBondContact O-N 3Å; S568-V572 VanDerWaalsContact O-N 3.07Å; S568-D615 WeakPolarHBondContact CA-OD2 3.13Å; S568-D615 WeakPolarHBondContact CB-OD2 3.27Å
569A97.8Very high96.7Very high0 Ų054.6 Ų54.60%030%0.301CS..Hα-helixtrans-60.1-37.3174.800000111.8W571 V572 Q573 D615 Q618 I619A569-W571 VanDerWaalsContact C-N 3.32Å; A569-W571 PolarHBondContact O-N 2.83Å; A569-V572 PolarHBondContact O-N 3.42Å; A569-V572 VanDerWaalsContact O-N 3.16Å; A569-Q573 WeakPolarHBondContact O-CB 3.27Å; A569-Q573 VanDerWaalsContact O-CG 3.25Å; A569-Q573 WeakPolarHBondContact O-CG 3.43Å; A569-Q573 PolarHBondContact O-N 2.92Å; A569-D615 HydrophobicContact CB-CB 3.59Å; A569-D615 PolarHBondContact N-OD2 2.66Å; A569-Q618 HydrophobicContact CB-CB 3.88Å; A569-Q618 VanDerWaalsContact CB-OE1 3.22Å; A569-I619 HydrophobicContact CB-CD1 3.86Å; A569-I619 HydrophobicContact CB-CG1 4.33Å
570E97.7Very high96.2Very high138 Ų13853.9 Ų53.965%0.64530%0.301SS*.Hα-helixtrans-56.9-45.3173.9-176.5-176.8-174.300111.5S568 V572 Q573 V574S568-E570 VanDerWaalsContact C-N 3.25Å; S568-E570 PolarHBondContact O-N 3.12Å; E570-V572 VanDerWaalsContact C-N 3.34Å; E570-V572 PolarHBondContact O-N 3Å; E570-Q573 PolarHBondContact O-N 3.23Å; E570-V574 WeakPolarHBondContact O-CG2 3.5Å; E570-V574 PolarHBondContact O-N 3.04Å
571W97.7Very high95.5Very high59 Ų5959.6 Ų59.622%0.22333%0.332CS..Hα-helixtrans-65.2-39.8177.6176.782.3000111.8R556 Y557 K560 L567 S568 A569 T575R556-W571 HydrophobicContact CB-CH2 3.99Å; R556-W571 HydrophobicContact CB-CZ2 4.28Å; Y557-W571 AromaticContact CD1-CH2 3.78Å; Y557-W571 HydrophobicContact CD1-CH2 3.78Å; Y557-W571 AromaticContact CD1-CZ3 3.56Å; Y557-W571 HydrophobicContact CD1-CZ3 3.56Å; Y557-W571 HydrophobicContact CE1-CH2 4.03Å; Y557-W571 AromaticContact CE1-CZ3 3.52Å; Y557-W571 HydrophobicContact CE1-CZ3 3.52Å; K560-W571 HydrophobicContact CD-CD2 3.55Å; K560-W571 HydrophobicContact CD-CE3 3.9Å; K560-W571 HydrophobicContact CD-CG 4.02Å; K560-W571 HydrophobicContact CD-CH2 4.17Å; K560-W571 HydrophobicContact CD-CZ2 3.85Å; K560-W571 HydrophobicContact CD-CZ3 4.16Å; L567-W571 HydrophobicContact CB-CE3 4.48Å; L567-W571 HydrophobicContact CD2-CZ3 4.12Å; S568-W571 PolarHBondContact O-N 2.89Å; S568-W571 VanDerWaalsContact O-N 3.13Å; S568-W571 PolarHBondContact OG-N 3.38Å; A569-W571 VanDerWaalsContact C-N 3.32Å; A569-W571 PolarHBondContact O-N 2.83Å; W571-T575 HydrophobicContact CZ2-CG2 4.43Å; W571-T575 VanDerWaalsContact O-CB 3.3Å; W571-T575 WeakPolarHBondContact O-CB 3.48Å; W571-T575 PolarHBondContact O-N 2.95Å; W571-T575 PolarHBondContact O-OG1 2.78Å
572V97.9Very high94.6Very high0 Ų062.5 Ų62.50%035%0.349CS..Hα-helixtrans-62.9-45.8175.2175.10000110.7Y557 S568 A569 E570 T575 L576 L599 Y602 I619Y557-V572 HydrophobicContact CE1-CG2 4.36Å; S568-V572 PolarHBondContact O-N 3Å; S568-V572 VanDerWaalsContact O-N 3.07Å; A569-V572 PolarHBondContact O-N 3.42Å; A569-V572 VanDerWaalsContact O-N 3.16Å; E570-V572 VanDerWaalsContact C-N 3.34Å; E570-V572 PolarHBondContact O-N 3Å; V572-T575 PolarHBondContact O-N 3.3Å; V572-L576 HydrophobicContact CG1-CD1 3.61Å; V572-L576 HydrophobicContact CG1-CG 4.24Å; V572-L576 WeakPolarHBondContact O-CB 3.22Å; V572-L576 VanDerWaalsContact O-CG 3.29Å; V572-L576 WeakPolarHBondContact O-CG 3.21Å; V572-L576 PolarHBondContact O-N 3.43Å; V572-L599 HydrophobicContact CG1-CD2 4.07Å; V572-Y602 HydrophobicContact CG2-CD2 3.78Å; V572-Y602 HydrophobicContact CG2-CE2 3.72Å; V572-I619 HydrophobicContact CB-CD1 4Å; V572-I619 HydrophobicContact CG1-CD1 3.93Å; V572-I619 HydrophobicContact CG2-CD1 4.25Å
573Q97.8Very high93.7Very high66 Ų6661.7 Ų61.731%0.30834%0.343SS..Hα-helixtrans-58-50.7177.2-76.3172.5-11.800111.8A569 E570 T575 L576 G577 W578 M622A569-Q573 WeakPolarHBondContact O-CB 3.27Å; A569-Q573 VanDerWaalsContact O-CG 3.25Å; A569-Q573 WeakPolarHBondContact O-CG 3.43Å; A569-Q573 PolarHBondContact O-N 2.92Å; E570-Q573 PolarHBondContact O-N 3.23Å; Q573-T575 VanDerWaalsContact C-N 3.3Å; Q573-T575 PolarHBondContact O-N 2.96Å; Q573-L576 PolarHBondContact O-N 2.76Å; Q573-G577 PolarHBondContact O-N 3.08Å; Q573-W578 HydrophobicContact CB-CB 3.8Å; Q573-W578 HydrophobicContact CB-CG 4.43Å; Q573-W578 HydrophobicContact CG-CB 3.93Å; Q573-W578 HydrophobicContact CG-CG 4.03Å; Q573-W578 PolarHBondContact O-N 3.34Å; Q573-M622 HydrophobicContact CG-CE 3.6Å; Q573-M622 HydrophobicContact CG-SD 3.63Å
574V96.9Very high92.7Very high111 Ų11157.1 Ų57.167%0.67334%0.335SS*.Hα-helixtrans-60.8-41.8177.6171.90000111E570 L576 G577E570-V574 WeakPolarHBondContact O-CG2 3.5Å; E570-V574 PolarHBondContact O-N 3.04Å; V574-L576 VanDerWaalsContact C-N 3.35Å; V574-L576 PolarHBondContact O-N 3.29Å; V574-G577 PolarHBondContact O-N 3.2Å
575T96.3Very high92Very high35 Ų3561 Ų6122%0.21534%0.337CS..Hα-helixtrans-69.4-33.3-178.2-54.80000112.4M553 W571 V572 Q573M553-T575 HydrophobicContact CE-CG2 3.6Å; M553-T575 HydrophobicContact SD-CG2 3.56Å; M553-T575 VanDerWaalsContact SD-CG2 3.56Å; W571-T575 HydrophobicContact CZ2-CG2 4.43Å; W571-T575 VanDerWaalsContact O-CB 3.3Å; W571-T575 WeakPolarHBondContact O-CB 3.48Å; W571-T575 PolarHBondContact O-N 2.95Å; W571-T575 PolarHBondContact O-OG1 2.78Å; V572-T575 PolarHBondContact O-N 3.3Å; Q573-T575 VanDerWaalsContact C-N 3.3Å; Q573-T575 PolarHBondContact O-N 2.96Å
576L95.9Very high91.3Very high15 Ų1559.9 Ų59.98%0.07933%0.333CS..Hα-helixtrans-83.5-14.4176-68.2175.1000113.2F549 M553 V572 Q573 V574 V595 V598 L599 M622F549-L576 HydrophobicContact CE1-CD2 4.12Å; F549-L576 HydrophobicContact CZ-CD2 3.75Å; M553-L576 HydrophobicContact CE-CD2 4.1Å; M553-L576 HydrophobicContact CE-CG 4.44Å; M553-L576 HydrophobicContact SD-CD2 4.43Å; V572-L576 HydrophobicContact CG1-CD1 3.61Å; V572-L576 HydrophobicContact CG1-CG 4.24Å; V572-L576 WeakPolarHBondContact O-CB 3.22Å; V572-L576 VanDerWaalsContact O-CG 3.29Å; V572-L576 WeakPolarHBondContact O-CG 3.21Å; V572-L576 PolarHBondContact O-N 3.43Å; Q573-L576 PolarHBondContact O-N 2.76Å; V574-L576 VanDerWaalsContact C-N 3.35Å; V574-L576 PolarHBondContact O-N 3.29Å; L576-V595 HydrophobicContact CD1-CG1 3.82Å; L576-V595 HydrophobicContact CD2-CG1 4.04Å; L576-V595 HydrophobicContact CD2-CG2 4.38Å; L576-V595 HydrophobicContact CG-CG1 4.46Å; L576-V598 HydrophobicContact CD2-CG1 4.26Å; L576-L599 HydrophobicContact CD1-CD2 3.84Å; L576-M622 HydrophobicContact CD1-CE 4.45Å
577G93.4Very high90.7Very high51 Ų5159.8 Ų59.853%0.52633%0.334SS..THydrogen-bonded Turntrans70.640-171.800000112.8Q573 V574Q573-G577 PolarHBondContact O-N 3.08Å; V574-G577 PolarHBondContact O-N 3.2Å
578W93.5Very high90.3Very high47 Ų4762.3 Ų62.318%0.17835%0.347CS..SBendtrans-72.1144.8179.8-165.3-87.7000112.3Q573 L580 M622 E625 L626Q573-W578 HydrophobicContact CB-CB 3.8Å; Q573-W578 HydrophobicContact CB-CG 4.43Å; Q573-W578 HydrophobicContact CG-CB 3.93Å; Q573-W578 HydrophobicContact CG-CG 4.03Å; Q573-W578 PolarHBondContact O-N 3.34Å; W578-L580 HydrophobicContact CE3-CD1 3.89Å; W578-L580 HydrophobicContact CE3-CD2 4.5Å; W578-L580 HydrophobicContact CE3-CG 3.71Å; W578-L580 HydrophobicContact CZ3-CD1 3.62Å; W578-L580 HydrophobicContact CZ3-CG 3.91Å; W578-M622 HydrophobicContact CD2-CE 3.71Å; W578-M622 HydrophobicContact CE3-CE 3.69Å; W578-M622 HydrophobicContact CG-CE 4.11Å; W578-M622 HydrophobicContact CH2-CB 3.99Å; W578-M622 HydrophobicContact CH2-CG 4.5Å; W578-M622 WeakPolarHBondContact CH2-O 3.48Å; W578-M622 HydrophobicContact CZ2-CB 4.01Å; W578-M622 HydrophobicContact CZ2-CG 4.08Å; W578-M622 HydrophobicContact CZ3-CB 4.47Å; W578-M622 HydrophobicContact CZ3-CE 4.14Å; W578-E625 HydrophobicContact CZ2-CB 4.36Å; W578-E625 HydrophobicContact CZ2-CG 4.27Å; W578-E625 WeakPolarHBondContact CZ2-OE2 3.46Å; W578-L626 HydrophobicContact CH2-CB 4.26Å
579P87.7Confident89.9Confident93 Ų9360.8 Ų60.860%0.60434%0.337SS*.SBendcis-71.1147.9-3.331.3-35.7000112.3
580L88.8Confident89.5Confident36 Ų3664.8 Ų64.819%0.18836%0.356CS..PPolyproline II helixtrans-77145.4-177.5-59.9172000110.9W578 L592 V595 L626W578-L580 HydrophobicContact CE3-CD1 3.89Å; W578-L580 HydrophobicContact CE3-CD2 4.5Å; W578-L580 HydrophobicContact CE3-CG 3.71Å; W578-L580 HydrophobicContact CZ3-CD1 3.62Å; W578-L580 HydrophobicContact CZ3-CG 3.91Å; L580-L592 HydrophobicContact CB-CD2 4.01Å; L580-L592 HydrophobicContact CD1-CD2 3.62Å; L580-L592 HydrophobicContact CG-CD2 4.38Å; L580-V595 HydrophobicContact CD1-CB 4.22Å; L580-V595 HydrophobicContact CD1-CG1 3.88Å; L580-V595 HydrophobicContact CD1-CG2 4.22Å; L580-L626 HydrophobicContact CD1-CD1 3.9Å
581N83.4Confident89.3Confident148 Ų14861.5 Ų61.579%0.79134%0.341SS*.PPolyproline II helixtrans-72144.4173.8-68.1-46.8000110.6
582L78.3Confident89.2Confident90 Ų9059 Ų5947%0.47133%0.331SS..PPolyproline II helixtrans-59133.7171.1-77.3158.5000110.1T629L582-T629 HydrophobicContact CD2-CG2 4.05Å
583P79.4Confident89Confident18 Ų1859.3 Ų59.312%0.11733%0.333CS..PPolyproline II helixtrans-71.8138.5-175.130.1-33.5000110.5D588 L592 S633P583-D588 HydrophobicContact CB-CB 3.32Å; P583-L592 HydrophobicContact CB-CD1 4.29Å; P583-L592 HydrophobicContact CG-CD1 3.82Å; P583-S633 WeakPolarHBondContact CD-OG 3.46Å; P583-S633 WeakPolarHBondContact CG-OG 3.41Å
584S76.1Confident88.9Confident63 Ų6358 Ų5844%0.44133%0.327SS..  trans-104.1-21.6178670000112.6D588S584-D588 PolarHBondContact N-OD2 3Å; S584-D588 PolarHBondContact OG-OD2 2.77Å
585K82.6Confident88.9Confident136 Ų13652.7 Ų52.759%0.59130%0.295SS*.SBendtrans-137.9165.5-175.1-61.8175.2-170.7176.60111S587 D588 L589K585-S587 PolarHBondContact O-N 3.36Å; K585-D588 PolarHBondContact N-OD2 3.49Å; K585-D588 WeakPolarHBondContact O-CB 3.29Å; K585-D588 PolarHBondContact O-N 2.77Å; K585-L589 PolarHBondContact O-N 2.86Å
586L82.7Confident88.9Confident51 Ų5151.6 Ų51.627%0.26729%0.287SS..Hα-helixtrans-58.6-35.1176.9-17660.7000112.9F342 D588 L589 M590 M637F342-L586 HydrophobicContact CD1-CD1 4.15Å; F342-L586 HydrophobicContact CD2-CD1 3.94Å; F342-L586 HydrophobicContact CE1-CD1 3.87Å; F342-L586 HydrophobicContact CE2-CD1 3.67Å; F342-L586 HydrophobicContact CG-CD1 4.21Å; F342-L586 HydrophobicContact CZ-CD1 3.63Å; L586-D588 PolarHBondContact O-N 3.49Å; L586-L589 HydrophobicContact CD1-CD2 4.36Å; L586-L589 PolarHBondContact O-N 3.23Å; L586-M590 WeakPolarHBondContact O-CG 3.33Å; L586-M590 PolarHBondContact O-N 3.09Å; L586-M637 HydrophobicContact CB-SD 4.15Å; L586-M637 HydrophobicContact CD1-CE 4.3Å; L586-M637 HydrophobicContact CD1-SD 4.35Å
587S85.4Confident88.9Confident67 Ų6752.4 Ų52.447%0.46929%0.291SS..Hα-helixtrans-58.5-37.1174.153.80000112.7K585 M590 H591K585-S587 PolarHBondContact O-N 3.36Å; S587-M590 PolarHBondContact O-N 3.14Å; S587-H591 PolarHBondContact O-N 3.18Å
588D89.3Confident89.1Confident53 Ų5350 Ų5028%0.28327%0.267SS..Hα-helixtrans-72.8-40.8-177.4-52.5-18.1000109.5P583 S584 K585 L586 H591 L592P583-D588 HydrophobicContact CB-CB 3.32Å; S584-D588 PolarHBondContact N-OD2 3Å; S584-D588 PolarHBondContact OG-OD2 2.77Å; K585-D588 PolarHBondContact N-OD2 3.49Å; K585-D588 WeakPolarHBondContact O-CB 3.29Å; K585-D588 PolarHBondContact O-N 2.77Å; L586-D588 PolarHBondContact O-N 3.49Å; D588-H591 WeakPolarHBondContact O-CB 3.33Å; D588-H591 PolarHBondContact O-N 2.97Å; D588-L592 WeakPolarHBondContact O-CG 3.12Å; D588-L592 PolarHBondContact O-N 3.11Å
589L89.9Confident89.3Confident0 Ų047.8 Ų47.80%026%0.258CS..Hα-helixtrans-63.2-41.2172.8179.168000112.2F342 Y359 K585 L586 H591 L592 E593 I630 L634 M637F342-L589 HydrophobicContact CE1-CD2 4.37Å; F342-L589 HydrophobicContact CZ-CD2 3.73Å; Y359-L589 WeakPolarHBondContact OH-CD2 3.5Å; K585-L589 PolarHBondContact O-N 2.86Å; L586-L589 HydrophobicContact CD1-CD2 4.36Å; L586-L589 PolarHBondContact O-N 3.23Å; L589-H591 VanDerWaalsContact C-N 3.25Å; L589-H591 PolarHBondContact O-N 3.28Å; L589-L592 PolarHBondContact O-N 3.11Å; L589-E593 WeakPolarHBondContact O-CG 3.26Å; L589-E593 PolarHBondContact O-N 3.09Å; L589-I630 HydrophobicContact CD1-CB 4.38Å; L589-I630 HydrophobicContact CD1-CG1 4.31Å; L589-I630 HydrophobicContact CD1-CG2 3.93Å; L589-L634 HydrophobicContact CD2-CD2 3.7Å; L589-L634 HydrophobicContact CD2-CG 4.41Å; L589-M637 HydrophobicContact CB-CE 3.27Å; L589-M637 HydrophobicContact CD2-CE 3.38Å; L589-M637 HydrophobicContact CG-CE 3.88Å
590M89.5Confident89.7Confident84 Ų8445 Ų4541%0.41424%0.239SC..Hα-helixtrans-58.7-41.6173.2-72.6178.566.800111.1L586 S587 E593 E594L586-M590 WeakPolarHBondContact O-CG 3.33Å; L586-M590 PolarHBondContact O-N 3.09Å; S587-M590 PolarHBondContact O-N 3.14Å; M590-E593 PolarHBondContact O-N 3.45Å; M590-E594 WeakPolarHBondContact O-CG 3.47Å; M590-E594 PolarHBondContact O-N 2.89Å
591H93.1Very high90.1Very high69 Ų6943.5 Ų43.532%0.31923%0.231SC..Hα-helixtrans-64.6-42.4175.7-177.754.3000112.4F549 S587 D588 L589 E593 E594 V595F549-H591 AromaticContact CD2-CE1 3.89Å; F549-H591 AromaticContact CE1-CE1 3.78Å; F549-H591 AromaticContact CE2-CE1 3.63Å; F549-H591 AromaticContact CZ-CE1 3.57Å; S587-H591 PolarHBondContact O-N 3.18Å; D588-H591 WeakPolarHBondContact O-CB 3.33Å; D588-H591 PolarHBondContact O-N 2.97Å; L589-H591 VanDerWaalsContact C-N 3.25Å; L589-H591 PolarHBondContact O-N 3.28Å; H591-E593 VanDerWaalsContact C-N 3.31Å; H591-E593 PolarHBondContact O-N 3.03Å; H591-E594 CarbonylContact O-C 3.53Å; H591-E594 WeakPolarHBondContact O-CA 3.48Å; H591-E594 WeakPolarHBondContact O-CB 3.05Å; H591-E594 PolarHBondContact O-N 3Å; H591-V595 WeakPolarHBondContact O-CG2 3.48Å; H591-V595 PolarHBondContact O-N 2.85Å
592L94.6Very high90.8Very high5 Ų536.4 Ų36.43%0.02619%0.193CC..Hα-helixtrans-60-40175.2-65.7-172.6000112.4L580 P583 D588 L589 E594 V595 F596 L626 T629 I630L580-L592 HydrophobicContact CB-CD2 4.01Å; L580-L592 HydrophobicContact CD1-CD2 3.62Å; L580-L592 HydrophobicContact CG-CD2 4.38Å; P583-L592 HydrophobicContact CB-CD1 4.29Å; P583-L592 HydrophobicContact CG-CD1 3.82Å; D588-L592 WeakPolarHBondContact O-CG 3.12Å; D588-L592 PolarHBondContact O-N 3.11Å; L589-L592 PolarHBondContact O-N 3.11Å; L592-E594 VanDerWaalsContact C-N 3.32Å; L592-E594 PolarHBondContact O-N 3.23Å; L592-V595 PolarHBondContact O-N 3.23Å; L592-F596 PolarHBondContact O-N 3.37Å; L592-L626 HydrophobicContact CB-CD1 4.05Å; L592-L626 HydrophobicContact CD1-CD1 4.41Å; L592-L626 HydrophobicContact CD2-CD1 3.96Å; L592-L626 HydrophobicContact CG-CD1 4.36Å; L592-T629 HydrophobicContact CD1-CG2 4.02Å; L592-I630 HydrophobicContact CB-CD1 4.06Å; L592-I630 HydrophobicContact CB-CG1 3.8Å; L592-I630 HydrophobicContact CD1-CG1 4.19Å
593E94.4Very high91.7Very high7 Ų732.2 Ų32.23%0.03317%0.171CC..Hα-helixtrans-63.2-36.9173-70.2168-156.900112.2K338 Y359 S361 L589 M590 H591 F596 D597 I630K338-E593 IonicContact NZ-OE1 3.31Å; K338-E593 PolarHBondContact NZ-OE1 2.71Å; K338-E593 IonicContact NZ-OE2 2.77Å; K338-E593 PolarHBondContact NZ-OE2 2.79Å; Y359-E593 VanDerWaalsContact CE2-OE1 3.23Å; Y359-E593 WeakPolarHBondContact CE2-OE1 3.45Å; Y359-E593 VanDerWaalsContact CZ-OE1 3.3Å; Y359-E593 PolarHBondContact OH-OE1 2.68Å; S361-E593 WeakPolarHBondContact CB-OE2 3.46Å; S361-E593 PolarHBondContact OG-OE2 2.85Å; L589-E593 WeakPolarHBondContact O-CG 3.26Å; L589-E593 PolarHBondContact O-N 3.09Å; M590-E593 PolarHBondContact O-N 3.45Å; H591-E593 VanDerWaalsContact C-N 3.31Å; H591-E593 PolarHBondContact O-N 3.03Å; E593-F596 WeakPolarHBondContact O-CB 3.23Å; E593-F596 PolarHBondContact O-N 2.69Å; E593-D597 PolarHBondContact O-N 2.95Å; E593-D597 VanDerWaalsContact O-N 3.15Å; E593-I630 HydrophobicContact CG-CD1 4.41Å
594E95.6Very high92.5Very high38 Ų3832.3 Ų32.318%0.17817%0.169CC..Hα-helixtrans-68.6-36.6173-68-177.7168.100112.2K547 F549 V550 M590 H591 L592 F596 D597 V598K547-E594 HydrophobicContact CD-CG 4.11Å; K547-E594 HydrophobicContact CG-CG 4.36Å; F549-E594 WeakPolarHBondContact CB-OE2 3.4Å; F549-E594 HydrophobicContact CD1-CB 3.95Å; V550-E594 HydrophobicContact CG2-CB 3.93Å; V550-E594 HydrophobicContact CG2-CG 4.33Å; V550-E594 WeakPolarHBondContact CG2-O 3.38Å; M590-E594 WeakPolarHBondContact O-CG 3.47Å; M590-E594 PolarHBondContact O-N 2.89Å; H591-E594 CarbonylContact O-C 3.53Å; H591-E594 WeakPolarHBondContact O-CA 3.48Å; H591-E594 WeakPolarHBondContact O-CB 3.05Å; H591-E594 PolarHBondContact O-N 3Å; L592-E594 VanDerWaalsContact C-N 3.32Å; L592-E594 PolarHBondContact O-N 3.23Å; E594-F596 VanDerWaalsContact C-N 3.29Å; E594-F596 PolarHBondContact O-N 3.24Å; E594-D597 WeakPolarHBondContact O-CB 3.17Å; E594-D597 PolarHBondContact O-N 2.83Å; E594-V598 WeakPolarHBondContact O-CG2 3.41Å; E594-V598 PolarHBondContact O-N 2.93Å; E594-V598 VanDerWaalsContact O-N 3.09Å
595V96.7Very high93.5Very high0 Ų029.3 Ų29.30%015%0.148CC..Hα-helixtrans-63.9-38.8172.7178.80000110.5F549 L576 L580 H591 L592 D597 V598 L599 L626F549-V595 HydrophobicContact CE1-CG2 3.77Å; F549-V595 HydrophobicContact CZ-CG2 4.17Å; L576-V595 HydrophobicContact CD1-CG1 3.82Å; L576-V595 HydrophobicContact CD2-CG1 4.04Å; L576-V595 HydrophobicContact CD2-CG2 4.38Å; L576-V595 HydrophobicContact CG-CG1 4.46Å; L580-V595 HydrophobicContact CD1-CB 4.22Å; L580-V595 HydrophobicContact CD1-CG1 3.88Å; L580-V595 HydrophobicContact CD1-CG2 4.22Å; H591-V595 WeakPolarHBondContact O-CG2 3.48Å; H591-V595 PolarHBondContact O-N 2.85Å; L592-V595 PolarHBondContact O-N 3.23Å; V595-D597 VanDerWaalsContact C-N 3.34Å; V595-D597 PolarHBondContact O-N 2.78Å; V595-V598 WeakPolarHBondContact O-CB 3.21Å; V595-V598 PolarHBondContact O-N 3.2Å; V595-V598 VanDerWaalsContact O-N 3.1Å; V595-L599 WeakPolarHBondContact O-CG 3.19Å; V595-L599 PolarHBondContact O-N 3.25Å; V595-L599 VanDerWaalsContact O-N 3.07Å; V595-L626 HydrophobicContact CB-CD2 4.06Å; V595-L626 HydrophobicContact CG1-CD2 3.88Å
596F96.2Very high94.2Very high12 Ų1222.9 Ų22.95%0.05312%0.12CC..Hα-helixtrans-58.1-46.2174.5-169.7-81.3000111.6P363 L592 E593 E594 V598 L599 D600 Q623 L626 D627 I630P363-F596 HydrophobicContact CB-CD2 3.96Å; P363-F596 HydrophobicContact CB-CE1 4.18Å; P363-F596 HydrophobicContact CB-CE2 3.56Å; P363-F596 HydrophobicContact CB-CG 4.41Å; P363-F596 HydrophobicContact CB-CZ 3.69Å; P363-F596 HydrophobicContact CG-CD1 4.29Å; P363-F596 HydrophobicContact CG-CD2 3.65Å; P363-F596 HydrophobicContact CG-CE1 4.45Å; P363-F596 HydrophobicContact CG-CE2 3.82Å; P363-F596 HydrophobicContact CG-CG 3.9Å; P363-F596 HydrophobicContact CG-CZ 4.23Å; L592-F596 PolarHBondContact O-N 3.37Å; E593-F596 WeakPolarHBondContact O-CB 3.23Å; E593-F596 PolarHBondContact O-N 2.69Å; E594-F596 VanDerWaalsContact C-N 3.29Å; E594-F596 PolarHBondContact O-N 3.24Å; F596-V598 VanDerWaalsContact C-N 3.27Å; F596-V598 PolarHBondContact O-N 3.07Å; F596-L599 PolarHBondContact O-N 2.73Å; F596-L599 VanDerWaalsContact O-N 3.14Å; F596-D600 VanDerWaalsContact CE1-OD2 3.25Å; F596-D600 WeakPolarHBondContact CE1-OD2 3.32Å; F596-D600 PolarHBondContact O-N 3.44Å; F596-Q623 HydrophobicContact CD2-CG 3.67Å; F596-Q623 HydrophobicContact CE1-CG 4.31Å; F596-Q623 HydrophobicContact CE2-CG 3.19Å; F596-Q623 HydrophobicContact CG-CG 4.4Å; F596-Q623 HydrophobicContact CZ-CG 3.56Å; F596-L626 HydrophobicContact CB-CD2 3.89Å; F596-L626 HydrophobicContact CD2-CD2 4.31Å; F596-L626 HydrophobicContact CD2-CG 4.44Å; F596-D627 HydrophobicContact CE2-CB 4.35Å; F596-I630 HydrophobicContact CB-CD1 4.49Å
597D96.4Very high94.8Very high32 Ų3222.9 Ų22.917%0.17112%0.117CC..Hα-helixtrans-60.6-34.4175.1-75.211.6000112.8K547 V550 E593 E594 V595 D600 A601K547-D597 WeakPolarHBondContact CD-OD2 3.33Å; K547-D597 WeakPolarHBondContact CE-OD2 3.41Å; K547-D597 IonicContact NZ-OD1 3.86Å; K547-D597 IonicContact NZ-OD2 3.55Å; K547-D597 PolarHBondContact NZ-OD2 3.22Å; V550-D597 HydrophobicContact CG1-CB 4.22Å; V550-D597 HydrophobicContact CG2-CB 3.91Å; E593-D597 PolarHBondContact O-N 2.95Å; E593-D597 VanDerWaalsContact O-N 3.15Å; E594-D597 WeakPolarHBondContact O-CB 3.17Å; E594-D597 PolarHBondContact O-N 2.83Å; V595-D597 VanDerWaalsContact C-N 3.34Å; V595-D597 PolarHBondContact O-N 2.78Å; D597-D600 PolarHBondContact O-N 2.84Å; D597-A601 WeakPolarHBondContact O-CB 3.35Å; D597-A601 PolarHBondContact O-N 3.28Å
598V97.6Very high95.2Very high2 Ų223 Ų231%0.01211%0.107CC..Hα-helixtrans-64.6-42.9175.1171.90000110.8F549 V550 M553 Y557 L576 E594 V595 F596 A601 Y602F549-V598 HydrophobicContact CD1-CG2 4.15Å; F549-V598 HydrophobicContact CE1-CG2 3.89Å; V550-V598 HydrophobicContact CB-CG2 4.28Å; V550-V598 HydrophobicContact CG1-CG2 4.13Å; V550-V598 HydrophobicContact CG2-CG2 4.17Å; M553-V598 HydrophobicContact CB-CB 4.48Å; M553-V598 HydrophobicContact CB-CG1 3.82Å; M553-V598 HydrophobicContact CB-CG2 3.73Å; M553-V598 HydrophobicContact CE-CG1 3.98Å; M553-V598 HydrophobicContact CG-CG1 3.97Å; M553-V598 HydrophobicContact CG-CG2 3.8Å; Y557-V598 HydrophobicContact CE2-CG1 4.32Å; Y557-V598 WeakPolarHBondContact OH-CG1 3.43Å; L576-V598 HydrophobicContact CD2-CG1 4.26Å; E594-V598 WeakPolarHBondContact O-CG2 3.41Å; E594-V598 PolarHBondContact O-N 2.93Å; E594-V598 VanDerWaalsContact O-N 3.09Å; V595-V598 WeakPolarHBondContact O-CB 3.21Å; V595-V598 PolarHBondContact O-N 3.2Å; V595-V598 VanDerWaalsContact O-N 3.1Å; F596-V598 VanDerWaalsContact C-N 3.27Å; F596-V598 PolarHBondContact O-N 3.07Å; V598-A601 PolarHBondContact O-N 2.83Å; V598-Y602 PolarHBondContact O-N 2.84Å
599L97.5Very high95.5Very high0 Ų022 Ų220%010%0.101CC..Hα-helixtrans-67.3-38.7176-55.9-176.9000111.3V572 L576 V595 F596 A601 Y602 L603 I619 M622 Q623 L626V572-L599 HydrophobicContact CG1-CD2 4.07Å; L576-L599 HydrophobicContact CD1-CD2 3.84Å; V595-L599 WeakPolarHBondContact O-CG 3.19Å; V595-L599 PolarHBondContact O-N 3.25Å; V595-L599 VanDerWaalsContact O-N 3.07Å; F596-L599 PolarHBondContact O-N 2.73Å; F596-L599 VanDerWaalsContact O-N 3.14Å; L599-A601 PolarHBondContact O-N 2.93Å; L599-Y602 WeakPolarHBondContact O-CB 3.21Å; L599-Y602 PolarHBondContact O-N 2.73Å; L599-L603 WeakPolarHBondContact O-CD1 3.49Å; L599-L603 VanDerWaalsContact O-CG 3.3Å; L599-L603 WeakPolarHBondContact O-CG 3.47Å; L599-L603 PolarHBondContact O-N 3.1Å; L599-I619 HydrophobicContact CB-CG2 4.07Å; L599-I619 HydrophobicContact CD2-CG2 4.1Å; L599-M622 HydrophobicContact CD1-CB 4.07Å; L599-M622 HydrophobicContact CD2-CE 4.23Å; L599-Q623 HydrophobicContact CB-CB 4.38Å; L599-Q623 HydrophobicContact CD1-CB 3.95Å; L599-L626 HydrophobicContact CD1-CD2 4.21Å
600D95.8Very high95.8Very high35 Ų3525.9 Ų25.919%0.18712%0.124CC..Hα-helixtrans-59-45.4172-93-20.4000111.7F596 D597 Y602 L603 W604 Q623F596-D600 VanDerWaalsContact CE1-OD2 3.25Å; F596-D600 WeakPolarHBondContact CE1-OD2 3.32Å; F596-D600 PolarHBondContact O-N 3.44Å; D597-D600 PolarHBondContact O-N 2.84Å; D600-Y602 VanDerWaalsContact C-N 3.33Å; D600-Y602 PolarHBondContact O-N 3.32Å; D600-L603 PolarHBondContact O-N 2.98Å; D600-W604 VanDerWaalsContact O-CB 3.29Å; D600-W604 WeakPolarHBondContact O-CB 3.27Å; D600-W604 PolarHBondContact O-N 2.85Å; D600-Q623 VanDerWaalsContact CG-NE2 3.31Å; D600-Q623 PolarHBondContact OD1-NE2 2.82Å
601A96.8Very high96.1Very high3 Ų329 Ų293%0.02514%0.142CC..Hα-helixtrans-62.7-39.7176.700000112I543 D597 V598 L599 L605I543-A601 HydrophobicContact CD1-CB 4.08Å; I543-A601 HydrophobicContact CG1-CB 4.12Å; D597-A601 WeakPolarHBondContact O-CB 3.35Å; D597-A601 PolarHBondContact O-N 3.28Å; V598-A601 PolarHBondContact O-N 2.83Å; L599-A601 PolarHBondContact O-N 2.93Å; A601-L605 WeakPolarHBondContact O-CB 3.29Å; A601-L605 VanDerWaalsContact O-CG 3.28Å; A601-L605 WeakPolarHBondContact O-CG 3.35Å; A601-L605 PolarHBondContact O-N 2.89Å
602Y98.2Very high96.3Very high0 Ų027.2 Ų27.20%013%0.134CC..Hα-helixtrans-59-51.9173.5-178.1-75.1000111.1Y557 L567 V572 V598 L599 D600 W604 L605 G606 F613 D615 M616 I619Y557-Y602 HydrophobicContact CE2-CD2 4.45Å; L567-Y602 HydrophobicContact CB-CE2 3.95Å; L567-Y602 WeakPolarHBondContact O-CE2 3.16Å; L567-Y602 VanDerWaalsContact O-CZ 3.29Å; L567-Y602 PolarHBondContact O-OH 3.25Å; V572-Y602 HydrophobicContact CG2-CD2 3.78Å; V572-Y602 HydrophobicContact CG2-CE2 3.72Å; V598-Y602 PolarHBondContact O-N 2.84Å; L599-Y602 WeakPolarHBondContact O-CB 3.21Å; L599-Y602 PolarHBondContact O-N 2.73Å; D600-Y602 VanDerWaalsContact C-N 3.33Å; D600-Y602 PolarHBondContact O-N 3.32Å; Y602-W604 VanDerWaalsContact C-N 3.33Å; Y602-W604 PolarHBondContact O-N 3.01Å; Y602-L605 PolarHBondContact O-N 3.09Å; Y602-G606 PolarHBondContact O-N 3.21Å; Y602-F613 HydrophobicContact CD1-CD1 4.08Å; Y602-F613 AromaticContact CD2-CD1 3.57Å; Y602-F613 HydrophobicContact CD2-CD1 3.57Å; Y602-F613 AromaticContact CD2-CE1 3.96Å; Y602-F613 HydrophobicContact CD2-CE1 3.96Å; Y602-F613 HydrophobicContact CE1-CB 3.99Å; Y602-F613 HydrophobicContact CE1-CD1 4.01Å; Y602-F613 HydrophobicContact CE2-CB 4.5Å; Y602-F613 AromaticContact CE2-CD1 3.53Å; Y602-F613 HydrophobicContact CE2-CD1 3.53Å; Y602-F613 HydrophobicContact CE2-CE1 4.22Å; Y602-F613 HydrophobicContact CE2-CG 4.42Å; Y602-F613 AromaticContact CG-CD1 3.85Å; Y602-F613 HydrophobicContact CG-CD1 3.85Å; Y602-F613 HydrophobicContact CG-CE1 4.36Å; Y602-F613 AromaticContact CZ-CD1 3.75Å; Y602-F613 WeakPolarHBondContact OH-CA 3.47Å; Y602-D615 PolarHBondContact OH-N 2.68Å; Y602-M616 HydrophobicContact CE1-CG 4.3Å; Y602-I619 HydrophobicContact CD1-CB 3.95Å; Y602-I619 HydrophobicContact CD1-CG1 3.65Å; Y602-I619 HydrophobicContact CD1-CG2 3.76Å; Y602-I619 HydrophobicContact CD2-CG1 4.38Å; Y602-I619 HydrophobicContact CE1-CB 4.11Å; Y602-I619 HydrophobicContact CE1-CG1 3.51Å; Y602-I619 HydrophobicContact CE1-CG2 4.43Å; Y602-I619 HydrophobicContact CE2-CG1 4.22Å; Y602-I619 HydrophobicContact CG-CG1 4.12Å; Y602-I619 HydrophobicContact CG-CG2 4.11Å
603L97.4Very high96.4Very high1 Ų127 Ų271%0.00513%0.133CC..Hα-helixtrans-62.5-43.8-177.8-70.1163000110.6D221 L599 D600 L605 G606 Y607 M616 I619 R620D221-L603 HydrophobicContact CB-CB 4.01Å; L599-L603 WeakPolarHBondContact O-CD1 3.49Å; L599-L603 VanDerWaalsContact O-CG 3.3Å; L599-L603 WeakPolarHBondContact O-CG 3.47Å; L599-L603 PolarHBondContact O-N 3.1Å; D600-L603 PolarHBondContact O-N 2.98Å; L603-L605 VanDerWaalsContact C-N 3.34Å; L603-L605 PolarHBondContact O-N 3.24Å; L603-G606 PolarHBondContact O-N 3.33Å; L603-G606 VanDerWaalsContact O-N 3.09Å; L603-Y607 WeakPolarHBondContact O-CD2 3.48Å; L603-Y607 PolarHBondContact O-N 3.38Å; L603-M616 HydrophobicContact CD2-CB 4.09Å; L603-M616 HydrophobicContact CD2-CG 4.39Å; L603-M616 WeakPolarHBondContact CD2-O 3.13Å; L603-I619 HydrophobicContact CD1-CG2 4.25Å; L603-I619 HydrophobicContact CD2-CB 4.31Å; L603-I619 HydrophobicContact CD2-CG2 4.06Å; L603-I619 HydrophobicContact CG-CG2 3.86Å; L603-R620 HydrophobicContact CD2-CB 4.41Å
604W97Very high96.6Very high21 Ų2129.6 Ų29.68%0.0815%0.151CC..Hα-helixtrans-58.2-44.4176.2-171.8103000112.4G220 L537 L540 A541 P542 D600 Y602 G606 R608G220-W604 WeakPolarHBondContact O-CA 3.43Å; L537-W604 WeakPolarHBondContact O-CH2 3.43Å; L537-W604 WeakPolarHBondContact O-CZ3 3.47Å; L540-W604 HydrophobicContact CB-CH2 3.63Å; L540-W604 HydrophobicContact CB-CZ2 3.9Å; L540-W604 WeakPolarHBondContact O-CZ2 3.07Å; A541-W604 HydrophobicContact CB-CD2 4.17Å; A541-W604 HydrophobicContact CB-CE3 3.7Å; A541-W604 HydrophobicContact CB-CZ3 3.95Å; P542-W604 HydrophobicContact CG-CG 4.42Å; D600-W604 VanDerWaalsContact O-CB 3.29Å; D600-W604 WeakPolarHBondContact O-CB 3.27Å; D600-W604 PolarHBondContact O-N 2.85Å; Y602-W604 VanDerWaalsContact C-N 3.33Å; Y602-W604 PolarHBondContact O-N 3.01Å; W604-G606 VanDerWaalsContact C-N 3.34Å; W604-R608 VanDerWaalsContact CD2-NH1 3.3Å; W604-R608 VanDerWaalsContact CE2-NH1 3.32Å; W604-R608 VanDerWaalsContact CE2-NH2 3.33Å; W604-R608 VanDerWaalsContact CH2-CD 3.45Å; W604-R608 VanDerWaalsContact CZ2-NH2 3.31Å; W604-R608 PolarHBondContact O-NH1 2.86Å
605L97.8Very high96.6Very high0 Ų029.6 Ų29.60%015%0.152CC..Hα-helixtrans-68.9-34.6175.5-70.4167000111.7F538 Y557 A601 Y602 L603 Y607 R608 F609 F613F538-L605 HydrophobicContact CD1-CD1 4.09Å; F538-L605 HydrophobicContact CD1-CD2 4.08Å; F538-L605 HydrophobicContact CD2-CD2 3.91Å; F538-L605 HydrophobicContact CE1-CD1 3.78Å; F538-L605 HydrophobicContact CE1-CD2 4.21Å; F538-L605 HydrophobicContact CE2-CD2 4.07Å; F538-L605 HydrophobicContact CG-CD2 3.93Å; F538-L605 HydrophobicContact CZ-CD1 4.2Å; F538-L605 HydrophobicContact CZ-CD2 4.22Å; Y557-L605 HydrophobicContact CD2-CD1 4.12Å; A601-L605 WeakPolarHBondContact O-CB 3.29Å; A601-L605 VanDerWaalsContact O-CG 3.28Å; A601-L605 WeakPolarHBondContact O-CG 3.35Å; A601-L605 PolarHBondContact O-N 2.89Å; Y602-L605 PolarHBondContact O-N 3.09Å; L603-L605 VanDerWaalsContact C-N 3.34Å; L603-L605 PolarHBondContact O-N 3.24Å; L605-Y607 PolarHBondContact O-N 2.86Å; L605-R608 CarbonylContact O-C 3.46Å; L605-R608 PolarHBondContact O-N 3.24Å; L605-F609 HydrophobicContact CD2-CD2 4.35Å; L605-F609 HydrophobicContact CD2-CE2 4.18Å; L605-F609 PolarHBondContact O-N 3.26Å; L605-F613 HydrophobicContact CB-CD1 4.16Å; L605-F613 HydrophobicContact CB-CD2 4.26Å; L605-F613 HydrophobicContact CB-CE1 3.72Å; L605-F613 HydrophobicContact CB-CE2 3.8Å; L605-F613 HydrophobicContact CB-CG 4.44Å; L605-F613 HydrophobicContact CB-CZ 3.54Å; L605-F613 HydrophobicContact CD1-CE1 3.97Å; L605-F613 HydrophobicContact CD1-CZ 3.67Å; L605-F613 HydrophobicContact CG-CE1 4.49Å; L605-F613 HydrophobicContact CG-CZ 4.18Å
606G96.7Very high96.6Very high0 Ų031.2 Ų31.20%016%0.16CC..Hα-helixtrans-63.8-35.5-178.500000114.5Y602 L603 W604 R608 F609 V610 F613Y602-G606 PolarHBondContact O-N 3.21Å; L603-G606 PolarHBondContact O-N 3.33Å; L603-G606 VanDerWaalsContact O-N 3.09Å; W604-G606 VanDerWaalsContact C-N 3.34Å; G606-R608 PolarHBondContact O-N 2.76Å; G606-F609 CarbonylContact O-C 3.47Å; G606-F609 PolarHBondContact O-N 3.38Å; G606-V610 WeakPolarHBondContact O-CA 3.35Å; G606-V610 VanDerWaalsContact O-CG2 3.31Å; G606-V610 WeakPolarHBondContact O-CG2 3.29Å; G606-V610 PolarHBondContact O-N 2.84Å; G606-F613 VanDerWaalsContact CA-CB 3.48Å
607Y94.1Very high96.6Very high52 Ų5234.6 Ų34.620%0.20419%0.19CC..THydrogen-bonded Turntrans-69.8-9.7172.8-73.4-74.2000114.6D221 R223 L603 L605 M616D221-Y607 WeakPolarHBondContact O-CE2 3.25Å; R223-Y607 HydrophobicContact CB-CD1 4.39Å; R223-Y607 HydrophobicContact CB-CE1 3.68Å; R223-Y607 VanDerWaalsContact CD-CD1 3.48Å; R223-Y607 HydrophobicContact CG-CD1 3.73Å; R223-Y607 HydrophobicContact CG-CE1 3.5Å; R223-Y607 HydrophobicContact CG-CG 4.46Å; R223-Y607 PolarHBondContact N-OH 3.24Å; L603-Y607 WeakPolarHBondContact O-CD2 3.48Å; L603-Y607 PolarHBondContact O-N 3.38Å; L605-Y607 PolarHBondContact O-N 2.86Å; Y607-M616 HydrophobicContact CD1-SD 4.41Å; Y607-M616 HydrophobicContact CD2-SD 4.2Å; Y607-M616 HydrophobicContact CE1-SD 4.39Å; Y607-M616 HydrophobicContact CE2-SD 4.05Å; Y607-M616 HydrophobicContact CG-SD 4.34Å
608R94.8Very high96.6Very high70 Ų7037.8 Ų37.826%0.26420%0.204SC..THydrogen-bonded Turntrans-108.7-28.8179.3-69.1161178.779.11.2112.2G220 W604 L605 G606G220-R608 PolarHBondContact O-NH1 3.17Å; W604-R608 VanDerWaalsContact CD2-NH1 3.3Å; W604-R608 VanDerWaalsContact CE2-NH1 3.32Å; W604-R608 VanDerWaalsContact CE2-NH2 3.33Å; W604-R608 VanDerWaalsContact CH2-CD 3.45Å; W604-R608 VanDerWaalsContact CZ2-NH2 3.31Å; W604-R608 PolarHBondContact O-NH1 2.86Å; L605-R608 CarbonylContact O-C 3.46Å; L605-R608 PolarHBondContact O-N 3.24Å; G606-R608 PolarHBondContact O-N 2.76Å
609F96.6Very high96.6Very high32 Ų3237.7 Ų37.714%0.1420%0.203CC..  trans-133.762-178.6-52.3-69.9000111.3V534 L537 F538 F561 L605 G606 D611 M612 F613V534-F609 HydrophobicContact CB-CZ 4.41Å; V534-F609 HydrophobicContact CG1-CE1 4.39Å; V534-F609 HydrophobicContact CG1-CZ 4.04Å; V534-F609 HydrophobicContact CG2-CE1 4.13Å; V534-F609 HydrophobicContact CG2-CZ 4.39Å; L537-F609 HydrophobicContact CB-CE2 4.27Å; L537-F609 HydrophobicContact CB-CZ 3.95Å; L537-F609 HydrophobicContact CD1-CE1 4.29Å; L537-F609 HydrophobicContact CD1-CZ 3.8Å; F538-F609 AromaticContact CD2-CE2 3.78Å; F538-F609 HydrophobicContact CD2-CE2 3.78Å; F538-F609 HydrophobicContact CD2-CZ 4.34Å; F538-F609 HydrophobicContact CE2-CD2 4.02Å; F538-F609 AromaticContact CE2-CE2 3.67Å; F538-F609 HydrophobicContact CE2-CE2 3.67Å; F538-F609 HydrophobicContact CE2-CZ 4.36Å; F561-F609 HydrophobicContact CE2-CB 3.71Å; F561-F609 AromaticContact CE2-CD1 3.98Å; F561-F609 HydrophobicContact CE2-CD1 3.98Å; F561-F609 HydrophobicContact CE2-CD2 4Å; F561-F609 AromaticContact CE2-CG 3.63Å; F561-F609 HydrophobicContact CE2-CG 3.63Å; F561-F609 HydrophobicContact CZ-CB 4.33Å; F561-F609 AromaticContact CZ-CD1 3.77Å; F561-F609 HydrophobicContact CZ-CD1 3.77Å; F561-F609 HydrophobicContact CZ-CD2 4.41Å; F561-F609 HydrophobicContact CZ-CE1 4.13Å; F561-F609 AromaticContact CZ-CG 3.92Å; F561-F609 HydrophobicContact CZ-CG 3.92Å; L605-F609 HydrophobicContact CD2-CD2 4.35Å; L605-F609 HydrophobicContact CD2-CE2 4.18Å; L605-F609 PolarHBondContact O-N 3.26Å; G606-F609 CarbonylContact O-C 3.47Å; G606-F609 PolarHBondContact O-N 3.38Å; F609-D611 VanDerWaalsContact C-N 3.26Å; F609-D611 PolarHBondContact O-N 2.99Å; F609-M612 HydrophobicContact CB-CB 4.26Å; F609-M612 PolarHBondContact O-N 3.17Å; F609-F613 HydrophobicContact CB-CD2 3.97Å; F609-F613 HydrophobicContact CB-CE2 4.26Å; F609-F613 HydrophobicContact CD2-CE2 4.41Å; F609-F613 PolarHBondContact O-N 2.92Å; F609-F613 VanDerWaalsContact O-N 3.1Å
610V95.1Very high96.5Very high80 Ų8039.5 Ų39.549%0.48521%0.21SC..THydrogen-bonded Turntrans-53.1-41.5-172.4-177.40000112.5G606 M612 F613 M616G606-V610 WeakPolarHBondContact O-CA 3.35Å; G606-V610 VanDerWaalsContact O-CG2 3.31Å; G606-V610 WeakPolarHBondContact O-CG2 3.29Å; G606-V610 PolarHBondContact O-N 2.84Å; V610-M612 VanDerWaalsContact C-N 3.26Å; V610-M612 PolarHBondContact O-N 3.47Å; V610-F613 CarbonylContact O-C 3.6Å; V610-F613 PolarHBondContact O-N 3.28Å; V610-M616 HydrophobicContact CG1-CE 4.19Å; V610-M616 HydrophobicContact CG2-CE 4.44Å
611D95.6Very high96.6Very high149 Ų14940.6 Ų40.680%0.79722%0.224SC*.THydrogen-bonded Turntrans-65.7-28.5-179.1-58.2-37.6000113.4F609F609-D611 VanDerWaalsContact C-N 3.26Å; F609-D611 PolarHBondContact O-N 2.99Å
612M97.5Very high96.6Very high33 Ų3340.8 Ų40.816%0.16322%0.224CC..THydrogen-bonded Turntrans-94.5-17.9-177.2-67.3-60.5-6200112.8F561 E565 L567 F609 V610 P614F561-M612 HydrophobicContact CD2-CB 3.66Å; F561-M612 HydrophobicContact CD2-CE 4.07Å; F561-M612 HydrophobicContact CD2-CG 3.87Å; F561-M612 HydrophobicContact CE2-CB 3.49Å; F561-M612 VanDerWaalsContact CE2-CB 3.49Å; F561-M612 HydrophobicContact CE2-CG 3.47Å; F561-M612 VanDerWaalsContact CE2-CG 3.47Å; F561-M612 HydrophobicContact CG-CE 4.28Å; F561-M612 HydrophobicContact CZ-CB 4.49Å; F561-M612 HydrophobicContact CZ-CG 4.02Å; E565-M612 WeakPolarHBondContact O-CE 3.37Å; L567-M612 HydrophobicContact CD1-CB 4.4Å; L567-M612 HydrophobicContact CD1-CE 4.4Å; L567-M612 WeakPolarHBondContact CD1-O 3.2Å; L567-M612 PolarHBondContact N-O 3.48Å; F609-M612 HydrophobicContact CB-CB 4.26Å; F609-M612 PolarHBondContact O-N 3.17Å; V610-M612 VanDerWaalsContact C-N 3.26Å; V610-M612 PolarHBondContact O-N 3.47Å; M612-P614 WeakPolarHBondContact O-CD 3.3Å
613F97.8Very high96.4Very high0 Ų041 Ų410%023%0.225CC..SBendtrans-12664.7178.8-68.6-102.3000109.3F538 Y557 F561 L567 Y602 L605 G606 F609 V610 D615F538-F613 HydrophobicContact CZ-CE2 4.23Å; F538-F613 HydrophobicContact CZ-CZ 4.08Å; Y557-F613 HydrophobicContact CD2-CE1 4.41Å; F561-F613 AromaticContact CD2-CE2 3.76Å; F561-F613 HydrophobicContact CD2-CE2 3.76Å; F561-F613 HydrophobicContact CE2-CE2 4.11Å; L567-F613 HydrophobicContact CB-CD1 4.31Å; L567-F613 HydrophobicContact CB-CE1 4.36Å; L567-F613 HydrophobicContact CD1-CD2 4.32Å; L567-F613 HydrophobicContact CD1-CE1 4.27Å; L567-F613 HydrophobicContact CD1-CE2 3.97Å; L567-F613 HydrophobicContact CD1-CZ 3.92Å; L567-F613 HydrophobicContact CD2-CD1 4.46Å; L567-F613 HydrophobicContact CD2-CE1 3.71Å; L567-F613 HydrophobicContact CD2-CZ 3.81Å; L567-F613 HydrophobicContact CG-CE1 4.34Å; L567-F613 HydrophobicContact CG-CZ 4.4Å; Y602-F613 HydrophobicContact CD1-CD1 4.08Å; Y602-F613 AromaticContact CD2-CD1 3.57Å; Y602-F613 HydrophobicContact CD2-CD1 3.57Å; Y602-F613 AromaticContact CD2-CE1 3.96Å; Y602-F613 HydrophobicContact CD2-CE1 3.96Å; Y602-F613 HydrophobicContact CE1-CB 3.99Å; Y602-F613 HydrophobicContact CE1-CD1 4.01Å; Y602-F613 HydrophobicContact CE2-CB 4.5Å; Y602-F613 AromaticContact CE2-CD1 3.53Å; Y602-F613 HydrophobicContact CE2-CD1 3.53Å; Y602-F613 HydrophobicContact CE2-CE1 4.22Å; Y602-F613 HydrophobicContact CE2-CG 4.42Å; Y602-F613 AromaticContact CG-CD1 3.85Å; Y602-F613 HydrophobicContact CG-CD1 3.85Å; Y602-F613 HydrophobicContact CG-CE1 4.36Å; Y602-F613 AromaticContact CZ-CD1 3.75Å; Y602-F613 WeakPolarHBondContact OH-CA 3.47Å; L605-F613 HydrophobicContact CB-CD1 4.16Å; L605-F613 HydrophobicContact CB-CD2 4.26Å; L605-F613 HydrophobicContact CB-CE1 3.72Å; L605-F613 HydrophobicContact CB-CE2 3.8Å; L605-F613 HydrophobicContact CB-CG 4.44Å; L605-F613 HydrophobicContact CB-CZ 3.54Å; L605-F613 HydrophobicContact CD1-CE1 3.97Å; L605-F613 HydrophobicContact CD1-CZ 3.67Å; L605-F613 HydrophobicContact CG-CE1 4.49Å; L605-F613 HydrophobicContact CG-CZ 4.18Å; G606-F613 VanDerWaalsContact CA-CB 3.48Å; F609-F613 HydrophobicContact CB-CD2 3.97Å; F609-F613 HydrophobicContact CB-CE2 4.26Å; F609-F613 HydrophobicContact CD2-CE2 4.41Å; F609-F613 PolarHBondContact O-N 2.92Å; F609-F613 VanDerWaalsContact O-N 3.1Å; V610-F613 CarbonylContact O-C 3.6Å; V610-F613 PolarHBondContact O-N 3.28Å; F613-D615 VanDerWaalsContact C-N 3.35Å; F613-D615 PolarHBondContact O-N 2.86Å
614P96.7Very high96.3Very high62 Ų6246.1 Ų46.140%0.40325%0.252SS..THydrogen-bonded Turntrans-70.4-28.2-165.727.7-36.5000113.8P566 M612 M616P566-P614 HydrophobicContact CB-CG 4.31Å; M612-P614 WeakPolarHBondContact O-CD 3.3Å; P614-M616 PolarHBondContact O-N 2.69Å
615D97.4Very high96.2Very high38 Ų3849.6 Ų49.620%0.20327%0.269CS..THydrogen-bonded Turntrans-97.935.7-164.6-61.7-39.1000113.3S568 A569 Y602 F613 A617 Q618 I619S568-D615 WeakPolarHBondContact CA-OD2 3.13Å; S568-D615 WeakPolarHBondContact CB-OD2 3.27Å; A569-D615 HydrophobicContact CB-CB 3.59Å; A569-D615 PolarHBondContact N-OD2 2.66Å; Y602-D615 PolarHBondContact OH-N 2.68Å; F613-D615 VanDerWaalsContact C-N 3.35Å; F613-D615 PolarHBondContact O-N 2.86Å; D615-A617 PolarHBondContact O-N 2.96Å; D615-A617 VanDerWaalsContact O-N 3.16Å; D615-Q618 HydrophobicContact CB-CB 4.33Å; D615-Q618 PolarHBondContact O-N 2.64Å; D615-I619 PolarHBondContact O-N 2.71Å
616M95.9Very high96.1Very high33 Ų3349.7 Ų49.716%0.16327%0.27CS..Hα-helixtrans-53.3-38.3-177.3-71.1-174.4-77.700113.6Y602 L603 Y607 V610 P614 Q618 I619 R620Y602-M616 HydrophobicContact CE1-CG 4.3Å; L603-M616 HydrophobicContact CD2-CB 4.09Å; L603-M616 HydrophobicContact CD2-CG 4.39Å; L603-M616 WeakPolarHBondContact CD2-O 3.13Å; Y607-M616 HydrophobicContact CD1-SD 4.41Å; Y607-M616 HydrophobicContact CD2-SD 4.2Å; Y607-M616 HydrophobicContact CE1-SD 4.39Å; Y607-M616 HydrophobicContact CE2-SD 4.05Å; Y607-M616 HydrophobicContact CG-SD 4.34Å; V610-M616 HydrophobicContact CG1-CE 4.19Å; V610-M616 HydrophobicContact CG2-CE 4.44Å; P614-M616 PolarHBondContact O-N 2.69Å; M616-Q618 PolarHBondContact O-N 2.78Å; M616-I619 PolarHBondContact O-N 3.25Å; M616-R620 WeakPolarHBondContact O-CB 3.3Å; M616-R620 PolarHBondContact O-N 2.99Å
617A95.4Very high96Very high83 Ų8350.1 Ų50.169%0.68627%0.272SS*.Hα-helixtrans-64.6-39.7178.600000112.4D615 R620 A621D615-A617 PolarHBondContact O-N 2.96Å; D615-A617 VanDerWaalsContact O-N 3.16Å; A617-R620 PolarHBondContact O-N 2.89Å; A617-A621 PolarHBondContact O-N 2.77Å
618Q97.5Very high95.9Very high99 Ų9950.4 Ų50.446%0.46328%0.279SS..Hα-helixtrans-71.7-41.4178.4-63.5163.820.500110.6A569 D615 M616 R620 A621 M622A569-Q618 HydrophobicContact CB-CB 3.88Å; A569-Q618 VanDerWaalsContact CB-OE1 3.22Å; D615-Q618 HydrophobicContact CB-CB 4.33Å; D615-Q618 PolarHBondContact O-N 2.64Å; M616-Q618 PolarHBondContact O-N 2.78Å; Q618-R620 VanDerWaalsContact C-N 3.31Å; Q618-R620 PolarHBondContact O-N 3.29Å; Q618-A621 WeakPolarHBondContact O-CB 3.34Å; Q618-A621 PolarHBondContact O-N 3.48Å; Q618-M622 WeakPolarHBondContact O-CG 3.26Å; Q618-M622 PolarHBondContact O-N 3.06Å
619I97.9Very high95.8Very high0 Ų048.3 Ų48.30%027%0.274CS..Hα-helixtrans-62.7-38.6173.8-64.7-54.9000111.5A569 V572 L599 Y602 L603 D615 M616 M622 Q623A569-I619 HydrophobicContact CB-CD1 3.86Å; A569-I619 HydrophobicContact CB-CG1 4.33Å; V572-I619 HydrophobicContact CB-CD1 4Å; V572-I619 HydrophobicContact CG1-CD1 3.93Å; V572-I619 HydrophobicContact CG2-CD1 4.25Å; L599-I619 HydrophobicContact CB-CG2 4.07Å; L599-I619 HydrophobicContact CD2-CG2 4.1Å; Y602-I619 HydrophobicContact CD1-CB 3.95Å; Y602-I619 HydrophobicContact CD1-CG1 3.65Å; Y602-I619 HydrophobicContact CD1-CG2 3.76Å; Y602-I619 HydrophobicContact CD2-CG1 4.38Å; Y602-I619 HydrophobicContact CE1-CB 4.11Å; Y602-I619 HydrophobicContact CE1-CG1 3.51Å; Y602-I619 HydrophobicContact CE1-CG2 4.43Å; Y602-I619 HydrophobicContact CE2-CG1 4.22Å; Y602-I619 HydrophobicContact CG-CG1 4.12Å; Y602-I619 HydrophobicContact CG-CG2 4.11Å; L603-I619 HydrophobicContact CD1-CG2 4.25Å; L603-I619 HydrophobicContact CD2-CB 4.31Å; L603-I619 HydrophobicContact CD2-CG2 4.06Å; L603-I619 HydrophobicContact CG-CG2 3.86Å; D615-I619 PolarHBondContact O-N 2.71Å; M616-I619 PolarHBondContact O-N 3.25Å; I619-M622 HydrophobicContact CD1-CE 4.46Å; I619-M622 HydrophobicContact CD1-SD 3.75Å; I619-M622 WeakPolarHBondContact O-CB 3.47Å; I619-M622 PolarHBondContact O-N 2.96Å; I619-Q623 WeakPolarHBondContact O-CB 3.2Å; I619-Q623 PolarHBondContact O-N 3.08Å
620R95.5Very high95.6Very high39 Ų3946.8 Ų46.815%0.14727%0.268CS..Hα-helixtrans-63.4-41.8173.6-178.46165.6174.47.8111.6D221 L603 M616 A617 Q618 Q623 L624D221-R620 VanDerWaalsContact C-NH2 3.34Å; D221-R620 PolarHBondContact O-NH2 2.86Å; D221-R620 IonicContact OD2-CZ 2.57Å; D221-R620 IonicContact OD2-NH1 3.42Å; D221-R620 PolarHBondContact OD2-NH1 3.35Å; D221-R620 IonicContact OD2-NH2 3.78Å; D221-R620 PolarHBondContact OD2-NH2 2.83Å; L603-R620 HydrophobicContact CD2-CB 4.41Å; M616-R620 WeakPolarHBondContact O-CB 3.3Å; M616-R620 PolarHBondContact O-N 2.99Å; A617-R620 PolarHBondContact O-N 2.89Å; Q618-R620 VanDerWaalsContact C-N 3.31Å; Q618-R620 PolarHBondContact O-N 3.29Å; R620-Q623 VanDerWaalsContact CZ-OE1 3.25Å; R620-Q623 WeakPolarHBondContact O-CB 3.33Å; R620-Q623 PolarHBondContact O-N 2.97Å; R620-L624 HydrophobicContact CG-CD1 4.46Å; R620-L624 WeakPolarHBondContact O-CG 3.29Å; R620-L624 PolarHBondContact O-N 3.33Å
621A96.4Very high95.4Very high57 Ų5746.9 Ų46.947%0.47126%0.259SS..Hα-helixtrans-60.7-44.517500000111.7A617 Q618 Q623 L624 E625A617-A621 PolarHBondContact O-N 2.77Å; Q618-A621 WeakPolarHBondContact O-CB 3.34Å; Q618-A621 PolarHBondContact O-N 3.48Å; A621-Q623 VanDerWaalsContact C-N 3.28Å; A621-Q623 PolarHBondContact O-N 2.9Å; A621-L624 PolarHBondContact O-N 3.5Å; A621-E625 PolarHBondContact O-N 3.3Å
622M97Very high95Very high7 Ų744.1 Ų44.13%0.03424%0.242CC..Hα-helixtrans-58.9-40.4173.6-68.8170.159.400111.9Q573 L576 W578 L599 Q618 I619 E625 L626Q573-M622 HydrophobicContact CG-CE 3.6Å; Q573-M622 HydrophobicContact CG-SD 3.63Å; L576-M622 HydrophobicContact CD1-CE 4.45Å; W578-M622 HydrophobicContact CD2-CE 3.71Å; W578-M622 HydrophobicContact CE3-CE 3.69Å; W578-M622 HydrophobicContact CG-CE 4.11Å; W578-M622 HydrophobicContact CH2-CB 3.99Å; W578-M622 HydrophobicContact CH2-CG 4.5Å; W578-M622 WeakPolarHBondContact CH2-O 3.48Å; W578-M622 HydrophobicContact CZ2-CB 4.01Å; W578-M622 HydrophobicContact CZ2-CG 4.08Å; W578-M622 HydrophobicContact CZ3-CB 4.47Å; W578-M622 HydrophobicContact CZ3-CE 4.14Å; L599-M622 HydrophobicContact CD1-CB 4.07Å; L599-M622 HydrophobicContact CD2-CE 4.23Å; Q618-M622 WeakPolarHBondContact O-CG 3.26Å; Q618-M622 PolarHBondContact O-N 3.06Å; I619-M622 HydrophobicContact CD1-CE 4.46Å; I619-M622 HydrophobicContact CD1-SD 3.75Å; I619-M622 WeakPolarHBondContact O-CB 3.47Å; I619-M622 PolarHBondContact O-N 2.96Å; M622-E625 PolarHBondContact O-N 3.37Å; M622-L626 VanDerWaalsContact O-CB 3.31Å; M622-L626 WeakPolarHBondContact O-CB 3.19Å; M622-L626 PolarHBondContact O-N 3.04Å
623Q95.3Very high94.5Very high4 Ų442.8 Ų42.82%0.01924%0.235CC..Hα-helixtrans-66.7-38.5178.7-171.1-176.341.700112.6F596 L599 D600 I619 R620 A621 L626 D627F596-Q623 HydrophobicContact CD2-CG 3.67Å; F596-Q623 HydrophobicContact CE1-CG 4.31Å; F596-Q623 HydrophobicContact CE2-CG 3.19Å; F596-Q623 HydrophobicContact CG-CG 4.4Å; F596-Q623 HydrophobicContact CZ-CG 3.56Å; L599-Q623 HydrophobicContact CB-CB 4.38Å; L599-Q623 HydrophobicContact CD1-CB 3.95Å; D600-Q623 VanDerWaalsContact CG-NE2 3.31Å; D600-Q623 PolarHBondContact OD1-NE2 2.82Å; I619-Q623 WeakPolarHBondContact O-CB 3.2Å; I619-Q623 PolarHBondContact O-N 3.08Å; R620-Q623 VanDerWaalsContact CZ-OE1 3.25Å; R620-Q623 WeakPolarHBondContact O-CB 3.33Å; R620-Q623 PolarHBondContact O-N 2.97Å; A621-Q623 VanDerWaalsContact C-N 3.28Å; A621-Q623 PolarHBondContact O-N 2.9Å; Q623-L626 PolarHBondContact O-N 3.32Å; Q623-D627 PolarHBondContact O-N 2.87Å
624L94.5Very high93.9Very high109 Ų10942.8 Ų42.857%0.57124%0.235SC*.Hα-helixtrans-67.4-41.7175.2-68.5172.5000111.7R620 A621 L626 D627 V628R620-L624 HydrophobicContact CG-CD1 4.46Å; R620-L624 WeakPolarHBondContact O-CG 3.29Å; R620-L624 PolarHBondContact O-N 3.33Å; A621-L624 PolarHBondContact O-N 3.5Å; L624-L626 VanDerWaalsContact C-N 3.3Å; L624-L626 PolarHBondContact O-N 3.47Å; L624-D627 PolarHBondContact O-N 3.48Å; L624-V628 WeakPolarHBondContact O-CG2 3.4Å; L624-V628 PolarHBondContact O-N 3.01Å; L624-V628 VanDerWaalsContact O-N 3.14Å
625E95.1Very high93.1Very high95 Ų9543 Ų4344%0.44423%0.231SC..Hα-helixtrans-60.1-41.9172.9-174.2-177158.500111.4W578 A621 M622 V628 T629W578-E625 HydrophobicContact CZ2-CB 4.36Å; W578-E625 HydrophobicContact CZ2-CG 4.27Å; W578-E625 WeakPolarHBondContact CZ2-OE2 3.46Å; A621-E625 PolarHBondContact O-N 3.3Å; M622-E625 PolarHBondContact O-N 3.37Å; E625-V628 PolarHBondContact O-N 3.48Å; E625-T629 PolarHBondContact O-N 3.34Å; E625-T629 PolarHBondContact O-OG1 2.85Å
626L95.4Very high92.1Very high1 Ų147.3 Ų47.31%0.00524%0.244CC..Hα-helixtrans-66.6-39.2176.7-174.255.8000112.7W578 L580 L592 V595 F596 L599 M622 Q623 L624 V628 T629 I630W578-L626 HydrophobicContact CH2-CB 4.26Å; L580-L626 HydrophobicContact CD1-CD1 3.9Å; L592-L626 HydrophobicContact CB-CD1 4.05Å; L592-L626 HydrophobicContact CD1-CD1 4.41Å; L592-L626 HydrophobicContact CD2-CD1 3.96Å; L592-L626 HydrophobicContact CG-CD1 4.36Å; V595-L626 HydrophobicContact CB-CD2 4.06Å; V595-L626 HydrophobicContact CG1-CD2 3.88Å; F596-L626 HydrophobicContact CB-CD2 3.89Å; F596-L626 HydrophobicContact CD2-CD2 4.31Å; F596-L626 HydrophobicContact CD2-CG 4.44Å; L599-L626 HydrophobicContact CD1-CD2 4.21Å; M622-L626 VanDerWaalsContact O-CB 3.31Å; M622-L626 WeakPolarHBondContact O-CB 3.19Å; M622-L626 PolarHBondContact O-N 3.04Å; Q623-L626 PolarHBondContact O-N 3.32Å; L624-L626 VanDerWaalsContact C-N 3.3Å; L624-L626 PolarHBondContact O-N 3.47Å; L626-V628 VanDerWaalsContact C-N 3.34Å; L626-V628 PolarHBondContact O-N 3.26Å; L626-T629 WeakPolarHBondContact O-CB 3.31Å; L626-T629 PolarHBondContact O-N 3.33Å; L626-I630 HydrophobicContact CD1-CD1 4.22Å; L626-I630 HydrophobicContact CD1-CG1 4.29Å; L626-I630 HydrophobicContact CG-CD1 3.96Å; L626-I630 HydrophobicContact CG-CG1 4.47Å; L626-I630 WeakPolarHBondContact O-CB 3.36Å; L626-I630 VanDerWaalsContact O-CG1 3.31Å; L626-I630 WeakPolarHBondContact O-CG1 3.38Å; L626-I630 PolarHBondContact O-N 2.79Å
627D94.2Very high91Very high9 Ų947 Ų475%0.04824%0.243CC..Hα-helixtrans-59.1-45.6174.2-171-64.8000111.1P363 G365 T366 F596 Q623 L624 T629 I630 R631P363-D627 HydrophobicContact CB-CB 4.43Å; P363-D627 WeakPolarHBondContact CB-OD2 3.23Å; G365-D627 VanDerWaalsContact C-OD1 3.3Å; G365-D627 WeakPolarHBondContact CA-OD2 3.42Å; G365-D627 PolarHBondContact N-OD2 2.74Å; T366-D627 PolarHBondContact N-OD1 2.65Å; T366-D627 PolarHBondContact N-OD2 3.34Å; T366-D627 PolarHBondContact OG1-O 3.48Å; T366-D627 PolarHBondContact OG1-OD1 2.94Å; F596-D627 HydrophobicContact CE2-CB 4.35Å; Q623-D627 PolarHBondContact O-N 2.87Å; L624-D627 PolarHBondContact O-N 3.48Å; D627-T629 VanDerWaalsContact C-N 3.35Å; D627-T629 PolarHBondContact O-N 3.39Å; D627-I630 PolarHBondContact O-N 2.9Å; D627-R631 WeakPolarHBondContact O-CB 3.34Å; D627-R631 PolarHBondContact O-N 3.3Å; D627-R631 IonicContact OD1-CZ 2.95Å; D627-R631 IonicContact OD1-NE 2.95Å; D627-R631 IonicContact OD1-NH2 3.79Å; D627-R631 PolarHBondContact OD1-NH2 3.33Å
628V92.6Very high89.5Confident59 Ų5945 Ų4536%0.35822%0.218SC..Hα-helixtrans-62-44.1175.3175.80000110.8L624 E625 L626 I630 R631 E632L624-V628 WeakPolarHBondContact O-CG2 3.4Å; L624-V628 PolarHBondContact O-N 3.01Å; L624-V628 VanDerWaalsContact O-N 3.14Å; E625-V628 PolarHBondContact O-N 3.48Å; L626-V628 VanDerWaalsContact C-N 3.34Å; L626-V628 PolarHBondContact O-N 3.26Å; V628-I630 PolarHBondContact O-N 2.83Å; V628-R631 WeakPolarHBondContact O-CB 3.32Å; V628-R631 PolarHBondContact O-N 2.8Å; V628-E632 HydrophobicContact CG1-CG 4.48Å; V628-E632 WeakPolarHBondContact O-CG 3.3Å; V628-E632 PolarHBondContact O-N 3.2Å
629T92.3Very high87.5Confident26 Ų2647.8 Ų47.816%0.1623%0.233CC..Hα-helixtrans-60.6-46.4178.5-58.10000111.5L582 L592 E625 L626 D627 R631 E632 S633L582-T629 HydrophobicContact CD2-CG2 4.05Å; L592-T629 HydrophobicContact CD1-CG2 4.02Å; E625-T629 PolarHBondContact O-N 3.34Å; E625-T629 PolarHBondContact O-OG1 2.85Å; L626-T629 WeakPolarHBondContact O-CB 3.31Å; L626-T629 PolarHBondContact O-N 3.33Å; D627-T629 VanDerWaalsContact C-N 3.35Å; D627-T629 PolarHBondContact O-N 3.39Å; T629-R631 VanDerWaalsContact C-N 3.3Å; T629-R631 PolarHBondContact O-N 2.8Å; T629-E632 PolarHBondContact O-N 3.07Å; T629-S633 VanDerWaalsContact O-CB 3.27Å; T629-S633 WeakPolarHBondContact O-CB 3.42Å; T629-S633 PolarHBondContact O-N 2.74Å; T629-S633 PolarHBondContact O-OG 3.33Å
630I92.8Very high85.3Confident0 Ų053.6 Ų53.60%026%0.259CS..Hα-helixtrans-60.5-41.6176.7-74.7169.4000110.5L362 P363 T366 L589 L592 E593 F596 L626 D627 V628 S633 L634L362-I630 HydrophobicContact CD2-CG2 4.27Å; P363-I630 HydrophobicContact CG-CD1 3.62Å; P363-I630 HydrophobicContact CG-CG2 4.29Å; T366-I630 HydrophobicContact CG2-CG2 4.25Å; L589-I630 HydrophobicContact CD1-CB 4.38Å; L589-I630 HydrophobicContact CD1-CG1 4.31Å; L589-I630 HydrophobicContact CD1-CG2 3.93Å; L592-I630 HydrophobicContact CB-CD1 4.06Å; L592-I630 HydrophobicContact CB-CG1 3.8Å; L592-I630 HydrophobicContact CD1-CG1 4.19Å; E593-I630 HydrophobicContact CG-CD1 4.41Å; F596-I630 HydrophobicContact CB-CD1 4.49Å; L626-I630 HydrophobicContact CD1-CD1 4.22Å; L626-I630 HydrophobicContact CD1-CG1 4.29Å; L626-I630 HydrophobicContact CG-CD1 3.96Å; L626-I630 HydrophobicContact CG-CG1 4.47Å; L626-I630 WeakPolarHBondContact O-CB 3.36Å; L626-I630 VanDerWaalsContact O-CG1 3.31Å; L626-I630 WeakPolarHBondContact O-CG1 3.38Å; L626-I630 PolarHBondContact O-N 2.79Å; D627-I630 PolarHBondContact O-N 2.9Å; V628-I630 PolarHBondContact O-N 2.83Å; I630-S633 WeakPolarHBondContact O-CB 3.33Å; I630-S633 PolarHBondContact O-N 2.91Å; I630-L634 WeakPolarHBondContact O-CG 3.24Å; I630-L634 PolarHBondContact O-N 3.03Å
631R89.9Confident82.8Confident81 Ų8156.3 Ų56.331%0.30628%0.282SS..Hα-helixtrans-63.4-49.5177.5-170.2-169.4-46.5159.89.9112.7T366 A369 D627 V628 T629 S633 L634 E635T366-R631 HydrophobicContact CG2-CB 4.26Å; A369-R631 HydrophobicContact CB-CG 4.43Å; D627-R631 WeakPolarHBondContact O-CB 3.34Å; D627-R631 PolarHBondContact O-N 3.3Å; D627-R631 IonicContact OD1-CZ 2.95Å; D627-R631 IonicContact OD1-NE 2.95Å; D627-R631 IonicContact OD1-NH2 3.79Å; D627-R631 PolarHBondContact OD1-NH2 3.33Å; V628-R631 WeakPolarHBondContact O-CB 3.32Å; V628-R631 PolarHBondContact O-N 2.8Å; T629-R631 VanDerWaalsContact C-N 3.3Å; T629-R631 PolarHBondContact O-N 2.8Å; R631-S633 PolarHBondContact O-N 2.92Å; R631-L634 WeakPolarHBondContact O-CB 3.34Å; R631-L634 PolarHBondContact O-N 2.92Å; R631-E635 PolarHBondContact O-N 2.79Å
632E88Confident80.4Confident92 Ų9257.7 Ų57.743%0.4329%0.288SS..Hα-helixtrans-60.7-35.3175.8-70-177.3-178.500111.9V628 T629 E635 R636V628-E632 HydrophobicContact CG1-CG 4.48Å; V628-E632 WeakPolarHBondContact O-CG 3.3Å; V628-E632 PolarHBondContact O-N 3.2Å; T629-E632 PolarHBondContact O-N 3.07Å; E632-E635 PolarHBondContact O-N 3.22Å; E632-R636 WeakPolarHBondContact O-CG 3.22Å; E632-R636 PolarHBondContact O-N 2.8Å
633S86.1Confident77.7Confident4 Ų464.3 Ų64.33%0.02833%0.329CS..Hα-helixtrans-67.7-38.6178.6-60.40000113P583 T629 I630 R631 E635 R636 M637P583-S633 WeakPolarHBondContact CD-OG 3.46Å; P583-S633 WeakPolarHBondContact CG-OG 3.41Å; T629-S633 VanDerWaalsContact O-CB 3.27Å; T629-S633 WeakPolarHBondContact O-CB 3.42Å; T629-S633 PolarHBondContact O-N 2.74Å; T629-S633 PolarHBondContact O-OG 3.33Å; I630-S633 WeakPolarHBondContact O-CB 3.33Å; I630-S633 PolarHBondContact O-N 2.91Å; R631-S633 PolarHBondContact O-N 2.92Å; S633-E635 VanDerWaalsContact C-N 3.33Å; S633-R636 PolarHBondContact O-N 3.07Å; S633-M637 WeakPolarHBondContact O-CB 3.47Å; S633-M637 PolarHBondContact O-N 3.36Å
634L86.5Confident74.8Confident1 Ų167.1 Ų67.11%0.00535%0.353CS..Hα-helixtrans-60.6-43.6172.8-75.3170.4000111.1F342 Y359 L362 T366 L589 I630 R631 M637 K638F342-L634 HydrophobicContact CE1-CD2 4.27Å; F342-L634 HydrophobicContact CZ-CD2 3.87Å; Y359-L634 HydrophobicContact CE1-CD2 4.25Å; L362-L634 HydrophobicContact CD1-CD1 4.33Å; L362-L634 HydrophobicContact CD2-CD1 3.81Å; T366-L634 HydrophobicContact CG2-CD1 3.53Å; L589-L634 HydrophobicContact CD2-CD2 3.7Å; L589-L634 HydrophobicContact CD2-CG 4.41Å; I630-L634 WeakPolarHBondContact O-CG 3.24Å; I630-L634 PolarHBondContact O-N 3.03Å; R631-L634 WeakPolarHBondContact O-CB 3.34Å; R631-L634 PolarHBondContact O-N 2.92Å; L634-M637 PolarHBondContact O-N 3.02Å; L634-K638 WeakPolarHBondContact O-CG 3.09Å
635E79.8Confident71.9Confident65 Ų6566.6 Ų66.630%0.30436%0.364SS..Hα-helixtrans-65.7-39.2178.5-64.7-62149.100111.9Q370 K373 R631 E632 S633 K638Q370-E635 PolarHBondContact NE2-OE1 3.32Å; K373-E635 VanDerWaalsContact NZ-CD 3.31Å; K373-E635 IonicContact NZ-OE1 2.69Å; K373-E635 PolarHBondContact NZ-OE1 3.24Å; K373-E635 IonicContact NZ-OE2 2.93Å; K373-E635 PolarHBondContact NZ-OE2 3.35Å; R631-E635 PolarHBondContact O-N 2.79Å; E632-E635 PolarHBondContact O-N 3.22Å; S633-E635 VanDerWaalsContact C-N 3.33Å; E635-K638 WeakPolarHBondContact O-CB 3.36Å; E635-K638 IonicContact OE1-NZ 2.68Å; E635-K638 PolarHBondContact OE1-NZ 2.89Å; E635-K638 IonicContact OE2-NZ 3.12Å; E635-K638 PolarHBondContact OE2-NZ 2.9Å
636R76.5Confident68.8Low129 Ų12968.7 Ų68.749%0.48737%0.374SS..Hα-helixtrans-70.4-35.5176.8-69.9-178.9-171.6-178.27.5113.5E632 S633 K638 M639E632-R636 WeakPolarHBondContact O-CG 3.22Å; E632-R636 PolarHBondContact O-N 2.8Å; S633-R636 PolarHBondContact O-N 3.07Å; R636-K638 PolarHBondContact O-N 3.45Å; R636-M639 WeakPolarHBondContact O-CB 3.36Å; R636-M639 PolarHBondContact O-N 3.08Å
637M73.1Confident65.7Low28 Ų2878.8 Ų78.814%0.13842%0.418CS..Hα-helixtrans-68.6-20.2-178-96.9-153.9-9300114.2L586 L589 S633 L634 M639 F640L586-M637 HydrophobicContact CB-SD 4.15Å; L586-M637 HydrophobicContact CD1-CE 4.3Å; L586-M637 HydrophobicContact CD1-SD 4.35Å; L589-M637 HydrophobicContact CB-CE 3.27Å; L589-M637 HydrophobicContact CD2-CE 3.38Å; L589-M637 HydrophobicContact CG-CE 3.88Å; S633-M637 WeakPolarHBondContact O-CB 3.47Å; S633-M637 PolarHBondContact O-N 3.36Å; L634-M637 PolarHBondContact O-N 3.02Å; M637-M639 PolarHBondContact O-N 3.31Å; M637-F640 PolarHBondContact O-N 2.94Å
638K63.9Low62.7Low39 Ų3984 Ų8417%0.1744%0.442CS..THydrogen-bonded Turntrans-54.7-30.3167-61172.4-175.9-1780112E349 V355 L634 E635 R636E349-K638 WeakPolarHBondContact OE1-CD 3.42Å; E349-K638 WeakPolarHBondContact OE1-CG 3.48Å; V355-K638 WeakPolarHBondContact O-CE 3.44Å; V355-K638 PolarHBondContact O-NZ 3.37Å; L634-K638 WeakPolarHBondContact O-CG 3.09Å; E635-K638 WeakPolarHBondContact O-CB 3.36Å; E635-K638 IonicContact OE1-NZ 2.68Å; E635-K638 PolarHBondContact OE1-NZ 2.89Å; E635-K638 IonicContact OE2-NZ 3.12Å; E635-K638 PolarHBondContact OE2-NZ 2.9Å; R636-K638 PolarHBondContact O-N 3.45Å
639M53.9Low60Low158 Ų15890.3 Ų90.378%0.77846%0.461SS*.THydrogen-bonded Turntrans-86-11.6-175.3-56.3-59.5-68.400115R636 M637R636-M639 WeakPolarHBondContact O-CB 3.36Å; R636-M639 PolarHBondContact O-N 3.08Å; M637-M639 PolarHBondContact O-N 3.31Å
640F52.9Low57.3Low122 Ų12290.8 Ų90.854%0.53547%0.465SS..SBendtrans-89.3126.8-173.5-83.1-81.2000113.1M637 S642M637-F640 PolarHBondContact O-N 2.94Å; F640-S642 PolarHBondContact O-N 2.94Å
641P43.2Very low54.9Low97 Ų9792.2 Ų92.263%0.6347%0.474SS*.  trans-70.9100.517027.1-31.1000110.1T643P641-T643 PolarHBondContact O-N 3.28Å
642S45.8Very low52.6Low85 Ų8591.4 Ų91.459%0.59448%0.477SS*.  trans-58.4104.5170.3-163.30000111.5F640F640-S642 PolarHBondContact O-N 2.94Å
643T39.8Very low49.9Very low147 Ų14793.3 Ų93.390%0.90249%0.491SS*.  trans-91.10.1167.928.20000112.8P641P641-T643 PolarHBondContact O-N 3.28Å
644A35.5Very low47.5Very low63 Ų63101.7 Ų101.752%0.52152%0.522SS..  trans-10877.7177.600000110E646A644-E646 HydrophobicContact CB-CG 4.41Å; A644-E646 PolarHBondContact O-N 3.18Å
645A33.1Very low44.6Very low98 Ų98110 Ų11081%0.8156%0.56SS**  trans-6973.7149.200000106.9K647A645-K647 PolarHBondContact O-N 3.46Å
646E29.7Very low42Very low139 Ų139117.4 Ų117.465%0.6559%0.587SS**  trans-52.9128.4160.3-75.8178165.800106.1A644 H648A644-E646 HydrophobicContact CB-CG 4.41Å; A644-E646 PolarHBondContact O-N 3.18Å; E646-H648 PolarHBondContact O-N 3.03Å; E646-H648 IonicContact OE2-CD2 2.86Å; E646-H648 IonicContact OE2-NE2 3.74Å
647K29.6Very low39.6Very low212 Ų212116.2 Ų116.292%0.92259%0.594SS**  trans-64.465.7175.6-72.6178.7175.7177.60109.8A645A645-K647 PolarHBondContact O-N 3.46Å
648H32.7Very low37.2Very low119 Ų119120.8 Ų120.855%0.55163%0.628SS**  trans-84.6130.5162.5-79.1-63.8000107E646 S650E646-H648 PolarHBondContact O-N 3.03Å; E646-H648 IonicContact OE2-CD2 2.86Å; E646-H648 IonicContact OE2-NE2 3.74Å; H648-S650 PolarHBondContact O-N 3.27Å
649Y35.1Very low35.3Very low192 Ų192127.4 Ų127.475%0.75366%0.657SS**  trans-53.491.6172-76.8-91000109.3
650S36.5Very low33.7Very low36 Ų36125.9 Ų125.925%0.25266%0.657SS.*  trans-76.8147.1161.273.70000106.7H648 V652H648-S650 PolarHBondContact O-N 3.27Å; S650-V652 PolarHBondContact O-N 2.8Å; S650-V652 WeakPolarHBondContact OG-CB 3.38Å; S650-V652 WeakPolarHBondContact OG-CG2 3.41Å
651V41.2Very low32.4Very low30 Ų30128.8 Ų128.818%0.18267%0.672CS.*THydrogen-bonded Turntrans-63.2-4.1174.8-172.40000111.5V407 V409 L419 D653V407-V651 HydrophobicContact CG2-CG1 3.61Å; V409-V651 HydrophobicContact CG2-CG2 3.87Å; L419-V651 HydrophobicContact CD1-CG1 4.23Å; L419-V651 HydrophobicContact CD2-CG1 4.12Å; L419-V651 HydrophobicContact CD2-CG2 3.99Å; V651-D653 VanDerWaalsContact C-N 3.29Å; V651-D653 PolarHBondContact O-N 2.63Å
652V41Very low31.3Very low63 Ų63133.9 Ų133.938%0.38268%0.684SS.*THydrogen-bonded Turntrans-65.1-27.8-173.9-172.10000112.6S650S650-V652 PolarHBondContact O-N 2.8Å; S650-V652 WeakPolarHBondContact OG-CB 3.38Å; S650-V652 WeakPolarHBondContact OG-CG2 3.41Å
653D32.5Very low30.2Very low133 Ų133137.9 Ų137.971%0.71169%0.693SS**SBendtrans-109.883.5-178.3-67.1-32.5000111.8V651V651-D653 VanDerWaalsContact C-N 3.29Å; V651-D653 PolarHBondContact O-N 2.63Å
654R35.4Very low29.3Very low180 Ų180140.4 Ų140.468%0.67970%0.695SS**  trans-167.2132.7156.4-107.8156-161.1-165.74.6115.2
655H25.9Very low28.7Very low176 Ų176141.4 Ų141.482%0.81571%0.711SS**  trans-85.6142.4155.8-74.460.5000109.4V657H655-V657 PolarHBondContact O-N 3.42Å
656Y25.8Very low28.5Very low219 Ų219141 Ų14186%0.85971%0.708SS**  trans-55.9113.6178.9-77.5-94.4000111.8
657V25.3Very low28.3Very low105 Ų105143.9 Ų143.964%0.63672%0.721SS**  trans-133.1107.7166.5-179.20000108.9H655 K659H655-V657 PolarHBondContact O-N 3.42Å; V657-K659 HydrophobicContact CG1-CB 4.47Å; V657-K659 HydrophobicContact CG1-CD 3.97Å; V657-K659 HydrophobicContact CG1-CG 3.83Å; V657-K659 PolarHBondContact O-N 2.93Å
658S22.2Very low28.4Very low123 Ų123137.8 Ų137.886%0.8672%0.718SS**  trans-70.3112.2165.2177.90000108.5
659K23.6Very low28.6Very low178 Ų178133.9 Ų133.977%0.77471%0.707SS**  trans-140.8117.9170.7-87.5-175-177-177.90112V657V657-K659 HydrophobicContact CG1-CB 4.47Å; V657-K659 HydrophobicContact CG1-CD 3.97Å; V657-K659 HydrophobicContact CG1-CG 3.83Å; V657-K659 PolarHBondContact O-N 2.93Å
660T21.4Very low29.6Very low126 Ų126128 Ų12877%0.77369%0.693SS**  trans-63.2128.2160.647.50000110.9
661H24.9Very low30.9Very low184 Ų184131.5 Ų131.585%0.85271%0.713SS**  trans-152.5147.7154.7-105.3-74.7000112.9
662K20Very low32.2Very low203 Ų203133 Ų13388%0.88372%0.72SS**  trans-75.6146.6-167-68.8173.4171.9178.90113.4
663Q22.5Very low33.1Very low170 Ų170134.9 Ų134.979%0.79472%0.724SS**  trans-82.8138.1175.2-71.9172.3-22.900111.9
664E21.6Very low34.3Very low199 Ų199130.9 Ų130.993%0.9371%0.707SS**  trans-119.3137.1157.8-77.2-174163.300108.8
665G23.3Very low35.4Very low84 Ų84124.1 Ų124.187%0.86668%0.684SS**  trans-87.2162.6-169.700000114.9
666A28.4Very low37.1Very low89 Ų89119.3 Ų119.374%0.73666%0.663SS**  trans-144.6122165.100000110.7
667Q26.4Very low38.4Very low201 Ų201117.8 Ų117.894%0.93966%0.655SS**  trans-84.5146.7177.6-71.8172.1-23.100111.8
668G31.7Very low39.9Very low83 Ų83118.5 Ų118.586%0.85665%0.652SS**  trans89.232.1143.500000120.3
669A36.2Very low41.2Very low38 Ų38115.7 Ų115.731%0.31464%0.642SS.*  trans-82.4142.1174.200000112.5E673A669-E673 HydrophobicContact CB-CB 4.04Å
670S55.2Low42.5Very low67 Ų67109.1 Ų109.147%0.46962%0.615SS.*  trans-57.6150.8173157.50000111.5I672 E673 S674S670-I672 PolarHBondContact O-N 3.09Å; S670-I672 VanDerWaalsContact O-N 3.12Å; S670-I672 PolarHBondContact OG-N 2.54Å; S670-E673 PolarHBondContact N-OE2 3.1Å; S670-E673 CarbonylContact O-C 3.42Å; S670-E673 WeakPolarHBondContact O-CA 3.34Å; S670-E673 WeakPolarHBondContact O-CB 3.36Å; S670-E673 PolarHBondContact O-N 3.36Å; S670-S674 PolarHBondContact O-N 2.96Å
671V65.3Low44.3Very low111 Ų111104.4 Ų104.467%0.67359%0.585SS**Hα-helixtrans-50-41179.1177.50000111.7S674 L675V671-S674 PolarHBondContact O-N 2.87Å; V671-L675 HydrophobicContact CG1-CD1 3.86Å; V671-L675 HydrophobicContact CG1-CG 4.3Å; V671-L675 WeakPolarHBondContact O-CB 3.15Å; V671-L675 WeakPolarHBondContact O-CG 3.23Å; V671-L675 PolarHBondContact O-N 3.42Å
672I68.7Low46.2Very low61 Ų6199.4 Ų99.431%0.31357%0.568SS.*Hα-helixtrans-64.8-43.7177.4-63.3177.3000111.1S670 S674 L675 M676 L681 V686S670-I672 PolarHBondContact O-N 3.09Å; S670-I672 VanDerWaalsContact O-N 3.12Å; S670-I672 PolarHBondContact OG-N 2.54Å; I672-S674 VanDerWaalsContact C-N 3.35Å; I672-L675 PolarHBondContact O-N 2.8Å; I672-M676 HydrophobicContact CG2-SD 4.33Å; I672-M676 WeakPolarHBondContact O-CB 3.38Å; I672-M676 VanDerWaalsContact O-CG 3.29Å; I672-M676 WeakPolarHBondContact O-CG 3.11Å; I672-M676 PolarHBondContact O-N 3.06Å; I672-L681 HydrophobicContact CG2-CD1 4.49Å; I672-V686 HydrophobicContact CG2-CG1 3.76Å; I672-V686 HydrophobicContact CG2-CG2 3.88Å
673E59.6Low48.2Very low103 Ų10394.1 Ų94.148%0.48155%0.554SS.*Hα-helixtrans-67.1-37.2177.2-70.2179155.300112A669 S670 M676 R677A669-E673 HydrophobicContact CB-CB 4.04Å; S670-E673 PolarHBondContact N-OE2 3.1Å; S670-E673 CarbonylContact O-C 3.42Å; S670-E673 WeakPolarHBondContact O-CA 3.34Å; S670-E673 WeakPolarHBondContact O-CB 3.36Å; S670-E673 PolarHBondContact O-N 3.36Å; E673-M676 PolarHBondContact O-N 3.35Å; E673-R677 WeakPolarHBondContact O-CB 3.35Å; E673-R677 WeakPolarHBondContact O-CG 3.46Å; E673-R677 PolarHBondContact O-N 3.11Å
674S57.8Low50.1Low48 Ų4893.3 Ų93.334%0.33655%0.548SS..Hα-helixtrans-63.2-46.7175.4-167.90000110.9S670 V671 I672 M676 R677 Q678S670-S674 PolarHBondContact O-N 2.96Å; V671-S674 PolarHBondContact O-N 2.87Å; I672-S674 VanDerWaalsContact C-N 3.35Å; S674-M676 PolarHBondContact O-N 2.88Å; S674-R677 PolarHBondContact O-N 2.97Å; S674-Q678 VanDerWaalsContact O-CG 3.31Å; S674-Q678 WeakPolarHBondContact O-CG 3.47Å; S674-Q678 PolarHBondContact O-N 2.93Å
675L58.8Low52Low39 Ų3986.5 Ų86.520%0.20452%0.518CS..Hα-helixtrans-66.4-34.3176-69173.3000112.6V671 I672 G679 L680 L681V671-L675 HydrophobicContact CG1-CD1 3.86Å; V671-L675 HydrophobicContact CG1-CG 4.3Å; V671-L675 WeakPolarHBondContact O-CB 3.15Å; V671-L675 WeakPolarHBondContact O-CG 3.23Å; V671-L675 PolarHBondContact O-N 3.42Å; I672-L675 PolarHBondContact O-N 2.8Å; L675-G679 PolarHBondContact O-N 3.38Å; L675-L680 HydrophobicContact CD2-CB 4.4Å; L675-L680 HydrophobicContact CD2-CD1 3.87Å; L675-L680 PolarHBondContact O-N 2.67Å; L675-L681 HydrophobicContact CB-CB 4.37Å; L675-L681 HydrophobicContact CB-CD1 3.51Å; L675-L681 HydrophobicContact CB-CG 3.83Å; L675-L681 HydrophobicContact CD1-CD1 3.69Å; L675-L681 HydrophobicContact CD1-CG 4.37Å; L675-L681 HydrophobicContact CG-CD1 4.26Å; L675-L681 PolarHBondContact O-N 3.31Å
676M60.2Low54.3Low75 Ų7582.9 Ų82.937%0.36948%0.479SS..Hα-helixtrans-67.2-43.4171.5-75.7-176.971.600112.1I672 E673 S674 Q678 G679 L681 P683 V686I672-M676 HydrophobicContact CG2-SD 4.33Å; I672-M676 WeakPolarHBondContact O-CB 3.38Å; I672-M676 VanDerWaalsContact O-CG 3.29Å; I672-M676 WeakPolarHBondContact O-CG 3.11Å; I672-M676 PolarHBondContact O-N 3.06Å; E673-M676 PolarHBondContact O-N 3.35Å; S674-M676 PolarHBondContact O-N 2.88Å; M676-Q678 VanDerWaalsContact C-N 3.28Å; M676-Q678 PolarHBondContact O-N 3.43Å; M676-G679 PolarHBondContact O-N 3.41Å; M676-L681 HydrophobicContact CG-CB 4.1Å; M676-P683 HydrophobicContact CE-CB 4.43Å; M676-P683 HydrophobicContact CE-CG 4.01Å; M676-V686 HydrophobicContact CG-CG2 4.09Å; M676-V686 HydrophobicContact SD-CG2 4.06Å
677R54.2Low56.3Low187 Ų18784.1 Ų84.171%0.70647%0.469SS*.Hα-helixtrans-62.7-35.4176-77.9-179.1-176.5-175.43.3112.3E673 S674 G679E673-R677 WeakPolarHBondContact O-CB 3.35Å; E673-R677 WeakPolarHBondContact O-CG 3.46Å; E673-R677 PolarHBondContact O-N 3.11Å; S674-R677 PolarHBondContact O-N 2.97Å; R677-G679 PolarHBondContact O-N 2.8Å
678Q56.4Low58.3Low119 Ų11977.3 Ų77.356%0.55644%0.439SS*.THydrogen-bonded Turntrans-74.5-4.2174.3-69.5177.23.600113.3S674 M676 L680S674-Q678 VanDerWaalsContact O-CG 3.31Å; S674-Q678 WeakPolarHBondContact O-CG 3.47Å; S674-Q678 PolarHBondContact O-N 2.93Å; M676-Q678 VanDerWaalsContact C-N 3.28Å; M676-Q678 PolarHBondContact O-N 3.43Å; Q678-L680 HydrophobicContact CB-CD1 4.06Å; Q678-L680 HydrophobicContact CB-CG 4.04Å; Q678-L680 PolarHBondContact O-N 2.9Å
679G48.6Very low60.1Low64 Ų6476.4 Ų76.466%0.6641%0.414SS*.THydrogen-bonded Turntrans71.212.4-177.500000114.2L675 M676 R677L675-G679 PolarHBondContact O-N 3.38Å; M676-G679 PolarHBondContact O-N 3.41Å; R677-G679 PolarHBondContact O-N 2.8Å
680L51.5Low61.9Low40 Ų4081.3 Ų81.321%0.20943%0.425CS..SBendtrans-84.4-20.6-179.2-64.5174000112.6P548 L675 Q678P548-L680 WeakPolarHBondContact CB-O 3.31Å; P548-L680 WeakPolarHBondContact CG-O 3.12Å; L675-L680 HydrophobicContact CD2-CB 4.4Å; L675-L680 HydrophobicContact CD2-CD1 3.87Å; L675-L680 PolarHBondContact O-N 2.67Å; Q678-L680 HydrophobicContact CB-CD1 4.06Å; Q678-L680 HydrophobicContact CB-CG 4.04Å; Q678-L680 PolarHBondContact O-N 2.9Å
681L58.8Low62.7Low27 Ų2784.4 Ų84.414%0.14143%0.426CS..SBendtrans-123.2126174.8-72.7176.5000110.3I672 L675 M676 L685 V686 I689I672-L681 HydrophobicContact CG2-CD1 4.49Å; L675-L681 HydrophobicContact CB-CB 4.37Å; L675-L681 HydrophobicContact CB-CD1 3.51Å; L675-L681 HydrophobicContact CB-CG 3.83Å; L675-L681 HydrophobicContact CD1-CD1 3.69Å; L675-L681 HydrophobicContact CD1-CG 4.37Å; L675-L681 HydrophobicContact CG-CD1 4.26Å; L675-L681 PolarHBondContact O-N 3.31Å; M676-L681 HydrophobicContact CG-CB 4.1Å; L681-L685 HydrophobicContact CD2-CD2 3.61Å; L681-L685 HydrophobicContact CD2-CG 4.12Å; L681-V686 HydrophobicContact CB-CG2 3.88Å; L681-V686 HydrophobicContact CD1-CG2 4.1Å; L681-V686 HydrophobicContact CG-CG2 4.48Å; L681-I689 HydrophobicContact CD2-CD1 4.21Å
682T65.7Low62.9Low80 Ų8082.7 Ų82.749%0.49141%0.411SS..  trans-80.9152.417066.40000110.2K684 L685 V686T682-K684 PolarHBondContact O-N 3.39Å; T682-L685 PolarHBondContact O-N 2.78Å; T682-L685 VanDerWaalsContact O-N 3.1Å; T682-L685 WeakPolarHBondContact OG1-CB 3.35Å; T682-L685 PolarHBondContact OG1-N 3.34Å; T682-V686 WeakPolarHBondContact O-CG2 3.33Å; T682-V686 PolarHBondContact O-N 3.09Å
683P61.8Low62.8Low92 Ų9283.7 Ų83.760%0.59742%0.416SS*.Hα-helixtrans-54-37.4175.6-25.833.4000113M676 V686 E687M676-P683 HydrophobicContact CE-CB 4.43Å; M676-P683 HydrophobicContact CE-CG 4.01Å; P683-V686 PolarHBondContact O-N 3.07Å; P683-E687 PolarHBondContact O-N 3.12Å
684K61.4Low63.1Low153 Ų15386.7 Ų86.767%0.66542%0.423SS*.Hα-helixtrans-64.9-46.1177.1-171.2178.1178.5-175.90112T682 V686 E687 D688T682-K684 PolarHBondContact O-N 3.39Å; K684-V686 VanDerWaalsContact C-N 3.32Å; K684-V686 PolarHBondContact O-N 3.49Å; K684-E687 WeakPolarHBondContact O-CB 3.26Å; K684-E687 PolarHBondContact O-N 3.19Å; K684-E687 VanDerWaalsContact O-N 3.13Å; K684-D688 PolarHBondContact O-N 3.17Å
685L62.9Low63.4Low55 Ų5588.3 Ų88.329%0.28843%0.428SS..Hα-helixtrans-63.5-38.2177.4-175.861.7000111.8P548 L681 T682 E687 D688 I689P548-L685 HydrophobicContact CB-CD2 3.91Å; L681-L685 HydrophobicContact CD2-CD2 3.61Å; L681-L685 HydrophobicContact CD2-CG 4.12Å; T682-L685 PolarHBondContact O-N 2.78Å; T682-L685 VanDerWaalsContact O-N 3.1Å; T682-L685 WeakPolarHBondContact OG1-CB 3.35Å; T682-L685 PolarHBondContact OG1-N 3.34Å; L685-E687 VanDerWaalsContact C-N 3.33Å; L685-D688 PolarHBondContact O-N 3.12Å; L685-I689 HydrophobicContact CG-CD1 4.14Å; L685-I689 WeakPolarHBondContact O-CB 3.43Å; L685-I689 VanDerWaalsContact O-CG1 3.23Å; L685-I689 WeakPolarHBondContact O-CG1 3.43Å; L685-I689 PolarHBondContact O-N 3.4Å
686V71.2Confident63.1Low8 Ų890.1 Ų90.15%0.04844%0.435CS..Hα-helixtrans-63.7-40.2173.4175.60000111.2I672 M676 L681 T682 P683 K684 R690I672-V686 HydrophobicContact CG2-CG1 3.76Å; I672-V686 HydrophobicContact CG2-CG2 3.88Å; M676-V686 HydrophobicContact CG-CG2 4.09Å; M676-V686 HydrophobicContact SD-CG2 4.06Å; L681-V686 HydrophobicContact CB-CG2 3.88Å; L681-V686 HydrophobicContact CD1-CG2 4.1Å; L681-V686 HydrophobicContact CG-CG2 4.48Å; T682-V686 WeakPolarHBondContact O-CG2 3.33Å; T682-V686 PolarHBondContact O-N 3.09Å; P683-V686 PolarHBondContact O-N 3.07Å; K684-V686 VanDerWaalsContact C-N 3.32Å; K684-V686 PolarHBondContact O-N 3.49Å; V686-R690 HydrophobicContact CG1-CG 4.48Å; V686-R690 WeakPolarHBondContact O-CB 3.48Å; V686-R690 VanDerWaalsContact O-CG 3.25Å; V686-R690 WeakPolarHBondContact O-CG 3.34Å; V686-R690 PolarHBondContact O-N 3.04Å
687E70.5Confident63Low115 Ų11590 Ų9054%0.53744%0.438SS..Hα-helixtrans-66.5-40.2176.9-164.7173.2-174.500112.1P683 K684 L685 R690 R691P683-E687 PolarHBondContact O-N 3.12Å; K684-E687 WeakPolarHBondContact O-CB 3.26Å; K684-E687 PolarHBondContact O-N 3.19Å; K684-E687 VanDerWaalsContact O-N 3.13Å; L685-E687 VanDerWaalsContact C-N 3.33Å; E687-R690 PolarHBondContact O-N 3.45Å; E687-R691 WeakPolarHBondContact O-CB 3.41Å; E687-R691 PolarHBondContact O-N 3.41Å
688D68.1Low62.7Low59 Ų5985.7 Ų85.732%0.31643%0.426SS..Hα-helixtrans-64.3-45.6174.6-69-27.2000111.3K684 L685 R690 R691 E692K684-D688 PolarHBondContact O-N 3.17Å; L685-D688 PolarHBondContact O-N 3.12Å; D688-R690 VanDerWaalsContact C-N 3.34Å; D688-R690 PolarHBondContact O-N 2.75Å; D688-R691 WeakPolarHBondContact O-CB 3.44Å; D688-R691 PolarHBondContact O-N 3.04Å; D688-R691 VanDerWaalsContact O-N 3.16Å; D688-E692 PolarHBondContact O-N 2.86Å
689I70.3Confident62.4Low64 Ų6484.3 Ų84.333%0.32843%0.425SS..Hα-helixtrans-59.3-45.1173.5-69.2165000110.5L681 L685 R691 E692 I693L681-I689 HydrophobicContact CD2-CD1 4.21Å; L685-I689 HydrophobicContact CG-CD1 4.14Å; L685-I689 WeakPolarHBondContact O-CB 3.43Å; L685-I689 VanDerWaalsContact O-CG1 3.23Å; L685-I689 WeakPolarHBondContact O-CG1 3.43Å; L685-I689 PolarHBondContact O-N 3.4Å; I689-R691 VanDerWaalsContact C-N 3.31Å; I689-R691 PolarHBondContact O-N 2.84Å; I689-E692 PolarHBondContact O-N 3.37Å; I689-I693 HydrophobicContact CG2-CD1 3.83Å; I689-I693 HydrophobicContact CG2-CG1 4.49Å; I689-I693 VanDerWaalsContact O-CG1 3.27Å; I689-I693 WeakPolarHBondContact O-CG1 3.28Å; I689-I693 PolarHBondContact O-N 3.49Å
690R72.8Confident62.3Low141 Ų14184.9 Ų84.953%0.53242%0.42SS..Hα-helixtrans-64.4-36.1177.2-77.1175.2178.2179.81112.1V686 E687 D688 R694V686-R690 HydrophobicContact CG1-CG 4.48Å; V686-R690 WeakPolarHBondContact O-CB 3.48Å; V686-R690 VanDerWaalsContact O-CG 3.25Å; V686-R690 WeakPolarHBondContact O-CG 3.34Å; V686-R690 PolarHBondContact O-N 3.04Å; E687-R690 PolarHBondContact O-N 3.45Å; D688-R690 VanDerWaalsContact C-N 3.34Å; D688-R690 PolarHBondContact O-N 2.75Å; R690-R694 WeakPolarHBondContact O-CB 3.49Å; R690-R694 PolarHBondContact O-N 3.03Å
691R71.5Confident62.1Low132 Ų13289.6 Ų89.650%0.49844%0.438SS..Hα-helixtrans-68.6-44.1176.6-169.4-174.5-60178.22.6110.7E687 D688 I689 R694 N695E687-R691 WeakPolarHBondContact O-CB 3.41Å; E687-R691 PolarHBondContact O-N 3.41Å; D688-R691 WeakPolarHBondContact O-CB 3.44Å; D688-R691 PolarHBondContact O-N 3.04Å; D688-R691 VanDerWaalsContact O-N 3.16Å; I689-R691 VanDerWaalsContact C-N 3.31Å; I689-R691 PolarHBondContact O-N 2.84Å; R691-R694 PolarHBondContact O-N 2.74Å; R691-N695 WeakPolarHBondContact O-CB 3.46Å; R691-N695 PolarHBondContact O-N 2.94Å; R691-N695 PolarHBondContact O-OD1 3.18Å
692E70Confident61.4Low74 Ų7495.1 Ų95.135%0.34646%0.461SS..Hα-helixtrans-59.1-48173.5-78-173.9176.500111.3R556 D688 I689 R694 N695 E696R556-E692 IonicContact CZ-OE1 2.71Å; R556-E692 IonicContact NH2-OE1 2.75Å; R556-E692 PolarHBondContact NH2-OE1 3.12Å; D688-E692 PolarHBondContact O-N 2.86Å; I689-E692 PolarHBondContact O-N 3.37Å; E692-R694 VanDerWaalsContact C-N 3.32Å; E692-R694 PolarHBondContact O-N 3.23Å; E692-N695 CarbonylContact O-C 3.48Å; E692-N695 WeakPolarHBondContact O-CB 3.46Å; E692-N695 PolarHBondContact O-N 2.9Å; E692-E696 PolarHBondContact O-N 2.93Å
693I66.2Low60.5Low82 Ų8295 Ų9542%0.42146%0.46SS..Hα-helixtrans-59.8-42.3176.2-67.6166.1000111I689 N695 E696 V697I689-I693 HydrophobicContact CG2-CD1 3.83Å; I689-I693 HydrophobicContact CG2-CG1 4.49Å; I689-I693 VanDerWaalsContact O-CG1 3.27Å; I689-I693 WeakPolarHBondContact O-CG1 3.28Å; I689-I693 PolarHBondContact O-N 3.49Å; I693-N695 VanDerWaalsContact C-N 3.34Å; I693-N695 PolarHBondContact O-N 2.85Å; I693-E696 WeakPolarHBondContact O-CB 3.25Å; I693-E696 PolarHBondContact O-N 3.49Å; I693-V697 WeakPolarHBondContact O-CG2 3.31Å; I693-V697 PolarHBondContact O-N 3.31Å
694R66.3Low59.8Low166 Ų16693.6 Ų93.663%0.62646%0.457SS*.Hα-helixtrans-64.5-40.9178.1-142.2-177.9-55-167.75.6111.5R690 R691 E692 E696 V697 E698R690-R694 WeakPolarHBondContact O-CB 3.49Å; R690-R694 PolarHBondContact O-N 3.03Å; R691-R694 PolarHBondContact O-N 2.74Å; E692-R694 VanDerWaalsContact C-N 3.32Å; E692-R694 PolarHBondContact O-N 3.23Å; R694-E696 VanDerWaalsContact C-N 3.33Å; R694-V697 PolarHBondContact O-N 3.48Å; R694-E698 PolarHBondContact O-N 2.94Å
695N64.9Low58.9Low82 Ų8293.7 Ų93.744%0.43946%0.459SS..Hα-helixtrans-64.5-36.8174.2-69.9-9.2000111.1R691 E692 I693 E698 V699R691-N695 WeakPolarHBondContact O-CB 3.46Å; R691-N695 PolarHBondContact O-N 2.94Å; R691-N695 PolarHBondContact O-OD1 3.18Å; E692-N695 CarbonylContact O-C 3.48Å; E692-N695 WeakPolarHBondContact O-CB 3.46Å; E692-N695 PolarHBondContact O-N 2.9Å; I693-N695 VanDerWaalsContact C-N 3.34Å; I693-N695 PolarHBondContact O-N 2.85Å; N695-E698 PolarHBondContact O-N 3.32Å; N695-V699 WeakPolarHBondContact O-CB 3.39Å; N695-V699 WeakPolarHBondContact O-CG2 3.25Å; N695-V699 PolarHBondContact O-N 2.72Å
696E52.4Low57.9Low78 Ų7894.9 Ų94.936%0.36447%0.472SS..Hα-helixtrans-61.9-41.6172.2-75.5-178.116300112E692 I693 R694 S700E692-E696 PolarHBondContact O-N 2.93Å; I693-E696 WeakPolarHBondContact O-CB 3.25Å; I693-E696 PolarHBondContact O-N 3.49Å; R694-E696 VanDerWaalsContact C-N 3.33Å; E696-S700 WeakPolarHBondContact O-CB 3.44Å; E696-S700 PolarHBondContact O-N 3.14Å; E696-S700 PolarHBondContact O-OG 3.46Å
697V57.9Low56.6Low71 Ų71103.1 Ų103.143%0.4351%0.507SS..Hα-helixtrans-65.5-39.7175.2-178.80000111I693 R694 K701I693-V697 WeakPolarHBondContact O-CG2 3.31Å; I693-V697 PolarHBondContact O-N 3.31Å; R694-V697 PolarHBondContact O-N 3.48Å; V697-K701 HydrophobicContact CG1-CD 4.34Å; V697-K701 WeakPolarHBondContact O-CB 3.37Å; V697-K701 VanDerWaalsContact O-CG 3.27Å; V697-K701 WeakPolarHBondContact O-CG 3.35Å; V697-K701 PolarHBondContact O-N 3.39Å
698E47.5Very low55.3Low98 Ų98100.2 Ų100.246%0.45851%0.508SS..Hα-helixtrans-70.4-41.4176.5-76.9-163.4177.700113.5R694 N695 K701 K702R694-E698 PolarHBondContact O-N 2.94Å; N695-E698 PolarHBondContact O-N 3.32Å; E698-K701 PolarHBondContact O-N 3.46Å; E698-K702 WeakPolarHBondContact O-CB 3.49Å; E698-K702 WeakPolarHBondContact O-CG 3.49Å; E698-K702 PolarHBondContact O-N 3.42Å
699V50.4Low54.1Low89 Ų89108.6 Ų108.654%0.53954%0.535SS..Hα-helixtrans-63.1-45.6175.3171.50000109.2N695 K701 K702 T703N695-V699 WeakPolarHBondContact O-CB 3.39Å; N695-V699 WeakPolarHBondContact O-CG2 3.25Å; N695-V699 PolarHBondContact O-N 2.72Å; V699-K701 VanDerWaalsContact C-N 3.32Å; V699-K701 PolarHBondContact O-N 3.04Å; V699-K702 PolarHBondContact O-N 3.02Å; V699-K702 VanDerWaalsContact O-N 3.14Å; V699-T703 PolarHBondContact O-N 3.16Å; V699-T703 PolarHBondContact O-OG1 3.25Å
700S46.4Very low52.6Low77 Ų77110.7 Ų110.754%0.53856%0.556SS.*Hα-helixtrans-58.3-41.6175-62.10000112E696 T703 A704E696-S700 WeakPolarHBondContact O-CB 3.44Å; E696-S700 PolarHBondContact O-N 3.14Å; E696-S700 PolarHBondContact O-OG 3.46Å; S700-T703 VanDerWaalsContact CA-OG1 3.32Å; S700-T703 WeakPolarHBondContact CA-OG1 3.31Å; S700-T703 PolarHBondContact O-OG1 3.35Å; S700-A704 WeakPolarHBondContact O-CB 3.21Å; S700-A704 PolarHBondContact O-N 3.33Å
701K47.3Very low50.9Low138 Ų138113.1 Ų113.160%0.657%0.57SS**Hα-helixtrans-67.1-40174.3-77.5176.8-179.4-179.10112.9V697 E698 V699 A704 H705V697-K701 HydrophobicContact CG1-CD 4.34Å; V697-K701 WeakPolarHBondContact O-CB 3.37Å; V697-K701 VanDerWaalsContact O-CG 3.27Å; V697-K701 WeakPolarHBondContact O-CG 3.35Å; V697-K701 PolarHBondContact O-N 3.39Å; E698-K701 PolarHBondContact O-N 3.46Å; V699-K701 VanDerWaalsContact C-N 3.32Å; V699-K701 PolarHBondContact O-N 3.04Å; K701-A704 WeakPolarHBondContact O-CB 3.33Å; K701-A704 PolarHBondContact O-N 3.46Å; K701-H705 PolarHBondContact O-N 3.24Å
702K44.3Very low49.2Very low143 Ų143119.8 Ų119.862%0.62260%0.603SS**Hα-helixtrans-68.3-39.6177.4-76.7176.3-178.8170.10111.8E698 V699 A704 H705 S706E698-K702 WeakPolarHBondContact O-CB 3.49Å; E698-K702 WeakPolarHBondContact O-CG 3.49Å; E698-K702 PolarHBondContact O-N 3.42Å; V699-K702 PolarHBondContact O-N 3.02Å; V699-K702 VanDerWaalsContact O-N 3.14Å; K702-A704 VanDerWaalsContact C-N 3.28Å; K702-A704 PolarHBondContact O-N 3.11Å; K702-H705 PolarHBondContact O-N 3.44Å; K702-S706 PolarHBondContact O-N 2.78Å; K702-S706 PolarHBondContact O-OG 3.36Å
703T46.7Very low48.2Very low77 Ų77122.1 Ų122.147%0.47262%0.616SS.*Hα-helixtrans-66-30.1171.139.30000112.8V699 S700 S706 K707V699-T703 PolarHBondContact O-N 3.16Å; V699-T703 PolarHBondContact O-OG1 3.25Å; S700-T703 VanDerWaalsContact CA-OG1 3.32Å; S700-T703 WeakPolarHBondContact CA-OG1 3.31Å; S700-T703 PolarHBondContact O-OG1 3.35Å; T703-S706 PolarHBondContact O-OG 2.82Å; T703-K707 WeakPolarHBondContact O-CG 3.47Å
704A46.4Very low47.2Very low63 Ų63124.2 Ų124.252%0.52163%0.626SS.*Hα-helixtrans-72.4-38.817200000112.1S700 K701 K702S700-A704 WeakPolarHBondContact O-CB 3.21Å; S700-A704 PolarHBondContact O-N 3.33Å; K701-A704 WeakPolarHBondContact O-CB 3.33Å; K701-A704 PolarHBondContact O-N 3.46Å; K702-A704 VanDerWaalsContact C-N 3.28Å; K702-A704 PolarHBondContact O-N 3.11Å
705H42.4Very low46.2Very low156 Ų156121.9 Ų121.972%0.72263%0.626SS**Hα-helixtrans-74.3-34.4178-93.541.7000114K701 K702 K707 G708K701-H705 PolarHBondContact O-N 3.24Å; K702-H705 PolarHBondContact O-N 3.44Å; H705-K707 VanDerWaalsContact C-N 3.32Å; H705-K707 PolarHBondContact O-N 3.3Å; H705-G708 PolarHBondContact O-N 3.47Å; H705-G708 VanDerWaalsContact O-N 3.07Å
706S41.4Very low45Very low80 Ų80124.2 Ų124.256%0.55964%0.637SS**Hα-helixtrans-67.2-34176.168.90000112K702 T703 G708K702-S706 PolarHBondContact O-N 2.78Å; K702-S706 PolarHBondContact O-OG 3.36Å; T703-S706 PolarHBondContact O-OG 2.82Å; S706-G708 PolarHBondContact O-N 3.29Å
707K45.1Very low44.6Very low181 Ų181127.1 Ų127.179%0.78765%0.654SS**THydrogen-bonded Turntrans-67.5-17.7171.1-73.8-175177.6-177.10113.6T703 H705T703-K707 WeakPolarHBondContact O-CG 3.47Å; H705-K707 VanDerWaalsContact C-N 3.32Å; H705-K707 PolarHBondContact O-N 3.3Å
708G42.3Very low43.7Very low54 Ų54130.9 Ų130.956%0.55767%0.669SS**THydrogen-bonded Turntrans-87.6-18.1-179.200000115.6H705 S706H705-G708 PolarHBondContact O-N 3.47Å; H705-G708 VanDerWaalsContact O-N 3.07Å; S706-G708 PolarHBondContact O-N 3.29Å
709R42.7Very low43.4Very low234 Ų234133.2 Ų133.288%0.88368%0.684SS**SBendtrans-99.8-1.7-175.3-102.1-176.4179.1-179.5-0.1116.1
710S39.2Very low42.9Very low109 Ų109136.6 Ų136.676%0.76270%0.695SS**SBendtrans-95.316.6172.8-154.10000113.8
711K38.2Very low42.6Very low192 Ų192141.6 Ų141.684%0.83571%0.709SS**  trans-132.169.3171.2-75.5-173.1175.7-178.60110.4
712K35.2Very low42.2Very low272 Ų272141.9 Ų141.9100%1.18372%0.718SS**  trans-138.50151.7-91.8-169.3175.6-173.90105.8

Retrieved 712 of 712 residues in 177.8 ms (Link to these results)

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