A0A096MY28_PAPAN Loading...

Spermatosis associated serine rich 2 like

AlphaFold DB (A0A1D5RKG9), UniProt , Accession A0A096MY28, Species PAPAN (Papio anubis, Olive baboon), Gene SPATS2L, Length 597 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
1M35.7Very low36.5Very low232 Ų232141.2 Ų141.2100%1.14380%0.801SS**  0137.70-78.3134.671.600108.3
2V35.3Very low36.2Very low129 Ų129141.8 Ų141.878%0.78281%0.81SS**  trans46.3105.4148.4-169.50000116.7
3N37.2Very low35.9Very low144 Ų144141.2 Ų141.277%0.7780%0.802SS**  67.314669.4-69.38.7000113.7
4S38.6Very low35.7Very low110 Ų110146.2 Ų146.277%0.76981%0.811SS**  cis-163.8163.3-2.4-109.80000111.5
5G33.1Very low35.6Very low71 Ų71146.1 Ų146.173%0.73281%0.807SS**  trans87.9157.9147.600000117.8
6E35Very low35.7Very low189 Ų189143.8 Ų143.888%0.88380%0.801SS**  cis-153.6153.4-10.4-160.7168.5144.900111.1
7E42.2Very low35.7Very low176 Ų176145.2 Ų145.282%0.82281%0.805SS**  trans-93.5126.1-178.4179.4-167158.300111.1
8T36Very low35.9Very low130 Ų130146.8 Ų146.880%0.79881%0.806SS**  trans-148.7113.8160.425.40000112.9
9A39.8Very low35.8Very low79 Ų79148.1 Ų148.165%0.65380%0.803SS**  trans-95.4138.1158.100000110.1
10K34.9Very low35.6Very low190 Ų190150.3 Ų150.383%0.82680%0.799SS**  trans-170.5127.5151.6-100.5136-162.6167.10113.7
11T33.3Very low35.5Very low103 Ų103148.7 Ų148.763%0.63280%0.8SS**  trans47.388.4136.2-40.80000118.6L13T11-L13 HydrophobicContact CG2-CD2 3.66Å; T11-L13 HydrophobicContact CG2-CG 3.99Å; T11-L13 PolarHBondContact O-N 3.36Å
12T33.2Very low35.3Very low148 Ų148146.5 Ų146.591%0.90878%0.78SS**  trans-69.5110.5151.6-52.40000108.7
13L32.5Very low35.2Very low135 Ų135148 Ų14871%0.70778%0.776SS**  trans-75.1134.6178.6-73.9171.6000111.4T11 L15T11-L13 HydrophobicContact CG2-CD2 3.66Å; T11-L13 HydrophobicContact CG2-CG 3.99Å; T11-L13 PolarHBondContact O-N 3.36Å; L13-L15 PolarHBondContact O-N 2.65Å
14F32.4Very low34.9Very low211 Ų211145.6 Ų145.693%0.92578%0.776SS**  trans-74.6111.3169.4-140.9-99.6000108.3
15L34.9Very low34.5Very low145 Ų145147.6 Ų147.676%0.75977%0.773SS**  trans-88.1123.6175.9-71.8173.6000110.2L13L13-L15 PolarHBondContact O-N 2.65Å
16P36.7Very low34.5Very low109 Ų109150.4 Ų150.471%0.70878%0.776SS**  trans-68.3140.9166.8-16.131.1000111E18P16-E18 PolarHBondContact O-N 2.74Å
17L35.7Very low34.8Very low167 Ų167147.5 Ų147.587%0.87477%0.774SS**  trans-84.2100.7170.8-95.871.6000110.5F19L17-F19 PolarHBondContact O-N 3.36Å
18E40.4Very low34.2Very low174 Ų174147.4 Ų147.481%0.81377%0.773SS**  trans-83.174.4175.1-87.4-76.1174.700112.3P16P16-E18 PolarHBondContact O-N 2.74Å
19F32.2Very low34Very low172 Ų172149.3 Ų149.375%0.75478%0.777SS**  trans-141.5124.9172.8-99-115.1000108L17L17-F19 PolarHBondContact O-N 3.36Å
20W33.3Very low34.2Very low192 Ų192150.3 Ų150.373%0.72778%0.777SS**  cis-143.4145.28.2-113.24.8000110.8Y22W20-Y22 HydrophobicContact CD2-CD2 4.03Å; W20-Y22 HydrophobicContact CD2-CE2 4.09Å; W20-Y22 AromaticContact CE3-CD2 3.64Å; W20-Y22 HydrophobicContact CE3-CD2 3.64Å; W20-Y22 AromaticContact CE3-CE2 3.7Å; W20-Y22 HydrophobicContact CE3-CE2 3.7Å; W20-Y22 AromaticContact CH2-CE2 3.89Å; W20-Y22 HydrophobicContact CH2-CE2 3.89Å; W20-Y22 HydrophobicContact CZ2-CE2 4.24Å; W20-Y22 AromaticContact CZ3-CD2 3.99Å; W20-Y22 HydrophobicContact CZ3-CD2 3.99Å; W20-Y22 AromaticContact CZ3-CE2 3.59Å; W20-Y22 HydrophobicContact CZ3-CE2 3.59Å
21S33.8Very low34.6Very low116 Ų116149.9 Ų149.981%0.81178%0.778SS**  trans-113.399.4167.4-174.10000110.4K23S21-K23 PolarHBondContact O-N 3.31Å
22Y30.7Very low35Very low187 Ų187151.9 Ų151.973%0.73378%0.784SS**  trans-88.688.3-180-122.2-89.5000111.1W20 A24W20-Y22 HydrophobicContact CD2-CD2 4.03Å; W20-Y22 HydrophobicContact CD2-CE2 4.09Å; W20-Y22 AromaticContact CE3-CD2 3.64Å; W20-Y22 HydrophobicContact CE3-CD2 3.64Å; W20-Y22 AromaticContact CE3-CE2 3.7Å; W20-Y22 HydrophobicContact CE3-CE2 3.7Å; W20-Y22 AromaticContact CH2-CE2 3.89Å; W20-Y22 HydrophobicContact CH2-CE2 3.89Å; W20-Y22 HydrophobicContact CZ2-CE2 4.24Å; W20-Y22 AromaticContact CZ3-CD2 3.99Å; W20-Y22 HydrophobicContact CZ3-CD2 3.99Å; W20-Y22 AromaticContact CZ3-CE2 3.59Å; W20-Y22 HydrophobicContact CZ3-CE2 3.59Å; Y22-A24 PolarHBondContact O-N 2.67Å; Y22-A24 VanDerWaalsContact O-N 3.08Å
23K33Very low35.2Very low161 Ų161149.7 Ų149.770%0.778%0.781SS**  trans-76.190.3179.3-167.7-164.9-174.9-1510111.2S21 E25S21-K23 PolarHBondContact O-N 3.31Å; K23-E25 VanDerWaalsContact CE-OE2 3.23Å; K23-E25 WeakPolarHBondContact CE-OE2 3.47Å; K23-E25 IonicContact NZ-OE2 2.69Å; K23-E25 PolarHBondContact NZ-OE2 2.88Å
24A31.2Very low35.6Very low93 Ų93153.3 Ų153.377%0.76979%0.787SS**  trans-83.1119.2168.300000110.4Y22Y22-A24 PolarHBondContact O-N 2.67Å; Y22-A24 VanDerWaalsContact O-N 3.08Å
25E31.1Very low36.1Very low151 Ų151147 Ų14771%0.70677%0.769SS**  trans-108.3112.3-172.7-164.5160.7147.700111.4K23K23-E25 VanDerWaalsContact CE-OE2 3.23Å; K23-E25 WeakPolarHBondContact CE-OE2 3.47Å; K23-E25 IonicContact NZ-OE2 2.69Å; K23-E25 PolarHBondContact NZ-OE2 2.88Å
26V32.7Very low36.3Very low131 Ų131145.9 Ų145.979%0.79477%0.768SS**  trans-139136.2178.2-179.80000107.4
27P40.1Very low36.5Very low128 Ų128151.3 Ų151.383%0.83178%0.775SS**  trans-79.6164.5-154.129-36.8000117.1
28H31.2Very low36.7Very low174 Ų174147 Ų14781%0.80676%0.759SS**  trans-53.8133-174.6-120.9-85.3000116.1
29L31Very low36.7Very low170 Ų170146.7 Ų146.789%0.8975%0.754SS**  trans-142.5131.2144.2-97.6176.6000109.1
30P44.8Very low37Very low100 Ų100146 Ų14665%0.64976%0.755SS**  trans-108.1105.2-166.537.1-29.6000114.7
31E43.3Very low37.6Very low180 Ų180138.6 Ų138.684%0.84174%0.735SS**  trans-156.4175.8159.4-130.2-172.6133.300113.8A33E31-A33 PolarHBondContact O-N 2.97Å
32L39.8Very low38.2Very low145 Ų145140.6 Ų140.676%0.75973%0.732SS**  trans74.27.3174.3-55.1-178.8000119.5Y34L32-Y34 PolarHBondContact O-N 2.65Å
33A39.3Very low38.8Very low102 Ų102139.2 Ų139.284%0.84374%0.736SS**THydrogen-bonded Turntrans-65.64.1169.800000115.4E31E31-A33 PolarHBondContact O-N 2.97Å
34Y39.1Very low39.3Very low212 Ų212136 Ų13683%0.83173%0.727SS**THydrogen-bonded Turntrans-112.1-2.8-168.3-101.3-89.6000116.3L32L32-Y34 PolarHBondContact O-N 2.65Å
35S44.5Very low40.4Very low79 Ų79134.1 Ų134.155%0.55271%0.706SS**SBendtrans-86.8-37.3-172.6-157.50000114.7
36T37.9Very low41.4Very low120 Ų120134.3 Ų134.374%0.73671%0.706SS**Hα-helixtrans-74.5-33.1-168.5-35.30000113.6S38T36-S38 VanDerWaalsContact C-N 3.32Å; T36-S38 PolarHBondContact O-N 3.44Å
37R42.2Very low42.4Very low224 Ų224132.3 Ų132.385%0.84569%0.694SS**Hα-helixtrans-62.6-35.6177.8-82.8-169.7172.4-157.7-1.6112.8K39 A41R37-K39 VanDerWaalsContact C-N 3.33Å; R37-K39 PolarHBondContact O-N 2.92Å; R37-A41 PolarHBondContact O-N 3.33Å; R37-A41 VanDerWaalsContact O-N 3.1Å
38S38.6Very low44Very low77 Ų77128.7 Ų128.754%0.53867%0.668SS.*Hα-helixtrans-68.6-25.8-173-55.60000114.4T36 A41 E42T36-S38 VanDerWaalsContact C-N 3.32Å; T36-S38 PolarHBondContact O-N 3.44Å; S38-A41 WeakPolarHBondContact O-CB 3.3Å; S38-E42 PolarHBondContact O-N 3.24Å
39K41Very low46.6Very low166 Ų166121.5 Ų121.572%0.72264%0.636SS**Hα-helixtrans-85.1-36-179.7-67.2-172.5177.6-177.30113.5R37 A41 E42R37-K39 VanDerWaalsContact C-N 3.33Å; R37-K39 PolarHBondContact O-N 2.92Å; K39-A41 PolarHBondContact O-N 3.15Å; K39-E42 PolarHBondContact O-N 3.47Å
40M39.4Very low49.3Very low158 Ų158121 Ų12178%0.77863%0.627SS**Hα-helixtrans-66.5-26.3167.4-79.3-85.1-89.300111.7N44M40-N44 VanDerWaalsContact O-CB 3.3Å; M40-N44 WeakPolarHBondContact O-CB 3.39Å
41A44Very low51.6Low37 Ų37122.1 Ų122.131%0.30662%0.623SS.*Hα-helixtrans-65.7-41.7173.700000112.6R37 S38 K39 L43 N44 T45R37-A41 PolarHBondContact O-N 3.33Å; R37-A41 VanDerWaalsContact O-N 3.1Å; S38-A41 WeakPolarHBondContact O-CB 3.3Å; K39-A41 PolarHBondContact O-N 3.15Å; A41-L43 VanDerWaalsContact C-N 3.33Å; A41-L43 PolarHBondContact O-N 3.35Å; A41-L43 VanDerWaalsContact O-N 3.16Å; A41-N44 PolarHBondContact O-N 2.88Å; A41-N44 VanDerWaalsContact O-N 3.1Å; A41-T45 HydrophobicContact CB-CG2 4.25Å; A41-T45 WeakPolarHBondContact O-CB 3.35Å; A41-T45 WeakPolarHBondContact O-CG2 3.48Å; A41-T45 PolarHBondContact O-N 2.86Å; A41-T45 PolarHBondContact O-OG1 2.95Å
42E47.1Very low53.8Low158 Ų158116 Ų11674%0.73859%0.594SS**Hα-helixtrans-66.6-24.4-162.6-159.6162.8-149.300115.8S38 K39 T45S38-E42 PolarHBondContact O-N 3.24Å; K39-E42 PolarHBondContact O-N 3.47Å; E42-T45 PolarHBondContact O-OG1 3.32Å
43L43.2Very low56.4Low158 Ų158110.1 Ų110.183%0.82756%0.563SS**Hα-helixtrans-96.5-30.1169.8-102.9167.2000113.4A41A41-L43 VanDerWaalsContact C-N 3.33Å; A41-L43 PolarHBondContact O-N 3.35Å; A41-L43 VanDerWaalsContact O-N 3.16Å
44N43.7Very low59Low93 Ų93113.9 Ų113.950%0.49756%0.557SS.*Hα-helixtrans-71.8-34.8177.3-170-78000111.6M40 A41 H46 V47 N48M40-N44 VanDerWaalsContact O-CB 3.3Å; M40-N44 WeakPolarHBondContact O-CB 3.39Å; A41-N44 PolarHBondContact O-N 2.88Å; A41-N44 VanDerWaalsContact O-N 3.1Å; N44-H46 VanDerWaalsContact C-N 3.31Å; N44-H46 PolarHBondContact O-N 2.99Å; N44-V47 PolarHBondContact O-N 3.06Å; N44-V47 VanDerWaalsContact O-N 3.14Å; N44-N48 WeakPolarHBondContact O-CB 3.47Å; N44-N48 PolarHBondContact O-N 3.4Å; N44-N48 WeakPolarHBondContact OD1-CB 3.37Å; N44-N48 PolarHBondContact OD1-ND2 3.02Å; N44-N48 VanDerWaalsContact OD1-ND2 3.1Å
45T53.6Low61.6Low53 Ų53105.6 Ų105.633%0.32553%0.532SS..Hα-helixtrans-54.7-41.2-178.444.80000112.2A41 E42 V47 N48 V49A41-T45 HydrophobicContact CB-CG2 4.25Å; A41-T45 WeakPolarHBondContact O-CB 3.35Å; A41-T45 WeakPolarHBondContact O-CG2 3.48Å; A41-T45 PolarHBondContact O-N 2.86Å; A41-T45 PolarHBondContact O-OG1 2.95Å; E42-T45 PolarHBondContact O-OG1 3.32Å; T45-V47 VanDerWaalsContact C-N 3.32Å; T45-V47 PolarHBondContact O-N 3.23Å; T45-N48 PolarHBondContact O-N 3.3Å; T45-V49 WeakPolarHBondContact O-CA 3.43Å; T45-V49 WeakPolarHBondContact O-CB 3.37Å; T45-V49 WeakPolarHBondContact O-CG2 3.27Å; T45-V49 PolarHBondContact O-N 3.04Å
46H52Low63.9Low156 Ų156101.8 Ų101.872%0.72251%0.505SS*.Hα-helixtrans-67.3-33.1-177.5-168-84.8000113N44N44-H46 VanDerWaalsContact C-N 3.31Å; N44-H46 PolarHBondContact O-N 2.99Å
47V54.8Low66.6Low88 Ų88101.1 Ų101.153%0.53349%0.489SS..Hα-helixtrans-74.3-52174.1-177.60000109.9N44 T45 V49 K50 E51N44-V47 PolarHBondContact O-N 3.06Å; N44-V47 VanDerWaalsContact O-N 3.14Å; T45-V47 VanDerWaalsContact C-N 3.32Å; T45-V47 PolarHBondContact O-N 3.23Å; V47-V49 VanDerWaalsContact C-N 3.34Å; V47-V49 PolarHBondContact O-N 2.99Å; V47-K50 WeakPolarHBondContact O-CB 3.49Å; V47-K50 PolarHBondContact O-N 3.36Å; V47-E51 PolarHBondContact O-N 2.93Å
48N74.1Confident69Low52 Ų5294.6 Ų94.628%0.27848%0.478SS..Hα-helixtrans-62.1-37.3-177.7-163.7-35.6000112.1N44 T45 E51 K52N44-N48 WeakPolarHBondContact O-CB 3.47Å; N44-N48 PolarHBondContact O-N 3.4Å; N44-N48 WeakPolarHBondContact OD1-CB 3.37Å; N44-N48 PolarHBondContact OD1-ND2 3.02Å; N44-N48 VanDerWaalsContact OD1-ND2 3.1Å; T45-N48 PolarHBondContact O-N 3.3Å; N48-E51 PolarHBondContact O-N 3.03Å; N48-K52 WeakPolarHBondContact O-CB 3.47Å; N48-K52 WeakPolarHBondContact O-CG 3.4Å; N48-K52 PolarHBondContact O-N 3.46Å; N48-K52 WeakPolarHBondContact OD1-CD 3.13Å; N48-K52 WeakPolarHBondContact OD1-CE 3.49Å
49V85.1Confident71.4Confident24 Ų2495.1 Ų95.115%0.14548%0.477CS..Hα-helixtrans-65.4-37.5173.5166.40000111.4T45 V47 E51 K52 I53 V69 F77T45-V49 WeakPolarHBondContact O-CA 3.43Å; T45-V49 WeakPolarHBondContact O-CB 3.37Å; T45-V49 WeakPolarHBondContact O-CG2 3.27Å; T45-V49 PolarHBondContact O-N 3.04Å; V47-V49 VanDerWaalsContact C-N 3.34Å; V47-V49 PolarHBondContact O-N 2.99Å; V49-E51 VanDerWaalsContact C-N 3.32Å; V49-E51 PolarHBondContact O-N 3.21Å; V49-K52 PolarHBondContact O-N 3.35Å; V49-I53 HydrophobicContact CG1-CD1 3.78Å; V49-I53 HydrophobicContact CG1-CG1 4.24Å; V49-I53 WeakPolarHBondContact O-CB 3.27Å; V49-I53 WeakPolarHBondContact O-CD1 3.44Å; V49-I53 WeakPolarHBondContact O-CG1 3.47Å; V49-I53 PolarHBondContact O-N 3.43Å; V49-V69 HydrophobicContact CG1-CG2 4.33Å; V49-F77 HydrophobicContact CG2-CD1 3.57Å; V49-F77 HydrophobicContact CG2-CE1 3.68Å; V49-F77 HydrophobicContact CG2-CG 4.34Å
50K88.8Confident73.7Confident159 Ų15988 Ų8869%0.69145%0.448SS*.Hα-helixtrans-62.9-41.1175.5-171.9-172.9174.3-167.60111.4V47 Y54V47-K50 WeakPolarHBondContact O-CB 3.49Å; V47-K50 PolarHBondContact O-N 3.36Å; K50-Y54 PolarHBondContact O-N 3.37Å; K50-Y54 VanDerWaalsContact O-N 3.15Å
51E91.4Very high76Confident123 Ų12384.4 Ų84.458%0.57544%0.436SS*.Hα-helixtrans-69.6-42.5176.2-68.2170175.900111.7V47 N48 V49 I53 Y54 A55V47-E51 PolarHBondContact O-N 2.93Å; N48-E51 PolarHBondContact O-N 3.03Å; V49-E51 VanDerWaalsContact C-N 3.32Å; V49-E51 PolarHBondContact O-N 3.21Å; E51-I53 PolarHBondContact O-N 2.96Å; E51-Y54 WeakPolarHBondContact O-CA 3.39Å; E51-Y54 WeakPolarHBondContact O-CB 3.41Å; E51-Y54 PolarHBondContact O-N 3.3Å; E51-Y54 VanDerWaalsContact O-N 3.1Å; E51-A55 PolarHBondContact O-N 3.41Å
52K90.9Very high78Confident52 Ų5289.7 Ų89.723%0.22646%0.46CS..Hα-helixtrans-62.7-39.5174-71.8173.8165.5-179.90112.8N48 V49 Y54 A55 V56 L72 F77 V79N48-K52 WeakPolarHBondContact O-CB 3.47Å; N48-K52 WeakPolarHBondContact O-CG 3.4Å; N48-K52 PolarHBondContact O-N 3.46Å; N48-K52 WeakPolarHBondContact OD1-CD 3.13Å; N48-K52 WeakPolarHBondContact OD1-CE 3.49Å; V49-K52 PolarHBondContact O-N 3.35Å; K52-Y54 VanDerWaalsContact C-N 3.3Å; K52-Y54 PolarHBondContact O-N 2.86Å; K52-A55 PolarHBondContact O-N 3.05Å; K52-V56 WeakPolarHBondContact O-CG2 3.48Å; K52-V56 PolarHBondContact O-N 3.03Å; K52-L72 HydrophobicContact CB-CD1 4.03Å; K52-L72 HydrophobicContact CB-CD2 4.48Å; K52-F77 HydrophobicContact CD-CB 4.2Å; K52-F77 VanDerWaalsContact CD-O 3.32Å; K52-F77 WeakPolarHBondContact CD-O 3.23Å; K52-F77 WeakPolarHBondContact CE-O 3.36Å; K52-F77 PolarHBondContact NZ-O 3.21Å; K52-V79 HydrophobicContact CB-CG2 3.84Å; K52-V79 HydrophobicContact CD-CG2 4.31Å; K52-V79 HydrophobicContact CG-CG2 3.59Å
53I92.9Very high80Confident21 Ų2185.2 Ų85.211%0.10844%0.438CS..Hα-helixtrans-59.9-44.2171.4-67.9158.4000109.9V49 E51 V56 R57 N65 I68 V69 L72V49-I53 HydrophobicContact CG1-CD1 3.78Å; V49-I53 HydrophobicContact CG1-CG1 4.24Å; V49-I53 WeakPolarHBondContact O-CB 3.27Å; V49-I53 WeakPolarHBondContact O-CD1 3.44Å; V49-I53 WeakPolarHBondContact O-CG1 3.47Å; V49-I53 PolarHBondContact O-N 3.43Å; E51-I53 PolarHBondContact O-N 2.96Å; I53-V56 PolarHBondContact O-N 2.82Å; I53-R57 HydrophobicContact CG2-CG 4.33Å; I53-R57 WeakPolarHBondContact O-CB 3.31Å; I53-R57 VanDerWaalsContact O-CG 3.27Å; I53-R57 WeakPolarHBondContact O-CG 3.48Å; I53-R57 PolarHBondContact O-N 3Å; I53-N65 HydrophobicContact CG2-CB 4.17Å; I53-I68 HydrophobicContact CB-CG2 4.27Å; I53-I68 HydrophobicContact CG1-CG2 4.07Å; I53-I68 HydrophobicContact CG2-CG2 4.22Å; I53-V69 HydrophobicContact CD1-CG2 3.46Å; I53-V69 VanDerWaalsContact CD1-CG2 3.46Å; I53-V69 HydrophobicContact CG1-CG2 3.94Å; I53-L72 HydrophobicContact CG1-CD1 4.19Å
54Y94.1Very high82.3Confident182 Ų18280.3 Ų80.371%0.71442%0.416SS*.Hα-helixtrans-63.3-42.8178.3-172.3-96.8000112K50 E51 K52 R57 S58K50-Y54 PolarHBondContact O-N 3.37Å; K50-Y54 VanDerWaalsContact O-N 3.15Å; E51-Y54 WeakPolarHBondContact O-CA 3.39Å; E51-Y54 WeakPolarHBondContact O-CB 3.41Å; E51-Y54 PolarHBondContact O-N 3.3Å; E51-Y54 VanDerWaalsContact O-N 3.1Å; K52-Y54 VanDerWaalsContact C-N 3.3Å; K52-Y54 PolarHBondContact O-N 2.86Å; Y54-R57 PolarHBondContact O-N 3.18Å; Y54-R57 VanDerWaalsContact O-N 3.16Å; Y54-S58 PolarHBondContact O-N 3.15Å
55A93.8Very high84.7Confident37 Ų3779.2 Ų79.231%0.30641%0.411SS..Hα-helixtrans-66.2-34.9176.900000113.7E51 K52 S58 V79E51-A55 PolarHBondContact O-N 3.41Å; K52-A55 PolarHBondContact O-N 3.05Å; A55-S58 PolarHBondContact O-OG 3.36Å; A55-V79 HydrophobicContact CB-CG1 4.03Å; A55-V79 HydrophobicContact CB-CG2 4.5Å
56V93.4Very high86.5Confident0 Ų082.5 Ų82.50%043%0.426CS..Hα-helixtrans-70.3-38170.11780000110.6K52 I53 V59 V60 I68 L72 V79 A82 V83 F86K52-V56 WeakPolarHBondContact O-CG2 3.48Å; K52-V56 PolarHBondContact O-N 3.03Å; I53-V56 PolarHBondContact O-N 2.82Å; V56-V59 PolarHBondContact O-N 2.71Å; V56-V60 PolarHBondContact O-N 2.96Å; V56-I68 HydrophobicContact CB-CD1 4.38Å; V56-I68 HydrophobicContact CB-CG2 3.77Å; V56-I68 HydrophobicContact CG1-CD1 3.95Å; V56-I68 HydrophobicContact CG1-CG1 3.99Å; V56-I68 HydrophobicContact CG1-CG2 3.85Å; V56-I68 HydrophobicContact CG2-CG2 4.12Å; V56-L72 HydrophobicContact CG2-CD1 4.4Å; V56-L72 HydrophobicContact CG2-CD2 4.14Å; V56-L72 HydrophobicContact CG2-CG 4.39Å; V56-V79 HydrophobicContact CG2-CG1 3.98Å; V56-A82 HydrophobicContact CG2-CB 4.14Å; V56-V83 HydrophobicContact CB-CG2 4.27Å; V56-V83 HydrophobicContact CG1-CG2 4.15Å; V56-V83 HydrophobicContact CG2-CG2 4.11Å; V56-F86 HydrophobicContact CG1-CD2 3.86Å; V56-F86 HydrophobicContact CG1-CE2 4.02Å
57R93.6Very high88.3Confident106 Ų10678.3 Ų78.340%0.441%0.407SS..Hα-helixtrans-72.6-25-178.3-77-171.964.7-159.4-11.5115.1I53 Y54 V59 V60 P61 N65 I68I53-R57 HydrophobicContact CG2-CG 4.33Å; I53-R57 WeakPolarHBondContact O-CB 3.31Å; I53-R57 VanDerWaalsContact O-CG 3.27Å; I53-R57 WeakPolarHBondContact O-CG 3.48Å; I53-R57 PolarHBondContact O-N 3Å; Y54-R57 PolarHBondContact O-N 3.18Å; Y54-R57 VanDerWaalsContact O-N 3.16Å; R57-V59 VanDerWaalsContact C-N 3.29Å; R57-V60 CarbonylContact O-C 3.57Å; R57-P61 VanDerWaalsContact O-CA 3.24Å; R57-P61 WeakPolarHBondContact O-CA 3.44Å; R57-N65 WeakPolarHBondContact CD-OD1 3.32Å; R57-N65 PolarHBondContact NH1-OD1 3.14Å; R57-I68 HydrophobicContact CB-CD1 4.41Å; R57-I68 HydrophobicContact CG-CD1 3.18Å
58S93.8Very high90.1Very high86 Ų8674.1 Ų74.160%0.60138%0.381SS*.Hα-helixtrans-68.4-31.4173.655.10000112Y54 A55Y54-S58 PolarHBondContact O-N 3.15Å; A55-S58 PolarHBondContact O-OG 3.36Å
59V89.6Confident91Very high88 Ų8873.8 Ų73.853%0.53338%0.381SS..Hα-helixtrans-88.1-35.3174.3-1690000111.8V56 R57 P61 V83V56-V59 PolarHBondContact O-N 2.71Å; R57-V59 VanDerWaalsContact C-N 3.29Å; V59-P61 WeakPolarHBondContact O-CD 3.45Å; V59-V83 HydrophobicContact CB-CG1 4.07Å; V59-V83 HydrophobicContact CB-CG2 4.33Å; V59-V83 HydrophobicContact CG1-CG1 3.67Å; V59-V83 HydrophobicContact CG2-CG1 4.47Å; V59-V83 HydrophobicContact CG2-CG2 4.42Å
60V88.3Confident91.4Very high18 Ų1874.8 Ų74.811%0.10939%0.386CS..  trans-125.872.4-176-1580000111.3V56 R57 N62 K63 V83 F86V56-V60 PolarHBondContact O-N 2.96Å; R57-V60 CarbonylContact O-C 3.57Å; V60-N62 VanDerWaalsContact C-N 3.25Å; V60-N62 PolarHBondContact O-N 3.04Å; V60-K63 HydrophobicContact CB-CG 4.41Å; V60-K63 HydrophobicContact CG1-CG 3.55Å; V60-V83 HydrophobicContact CG2-CG1 4.5Å; V60-F86 HydrophobicContact CB-CB 4.43Å; V60-F86 HydrophobicContact CG1-CB 4.01Å; V60-F86 HydrophobicContact CG1-CG 4.39Å; V60-F86 HydrophobicContact CG2-CB 3.91Å
61P87.2Confident91.6Very high81 Ų8167.2 Ų67.253%0.52635%0.353SS..THydrogen-bonded Turntrans-66.7-23.7-171.825.3-35.3000114.2R57 V59 K63R57-P61 VanDerWaalsContact O-CA 3.24Å; R57-P61 WeakPolarHBondContact O-CA 3.44Å; V59-P61 WeakPolarHBondContact O-CD 3.45Å; P61-K63 PolarHBondContact O-N 3.24Å
62N87.4Confident91.6Very high149 Ų14961.3 Ų61.380%0.79733%0.325SS*.THydrogen-bonded Turntrans-84.823.3-173.8-63.4-22.5000114.2V60V60-N62 VanDerWaalsContact C-N 3.25Å; V60-N62 PolarHBondContact O-N 3.04Å
63K89.4Confident91.6Very high64 Ų6463.5 Ų63.528%0.27834%0.336SS..SBendtrans-126.7143.6-179.8-56.1-64.5174.6-1740110.6V60 P61 I68 F86V60-K63 HydrophobicContact CB-CG 4.41Å; V60-K63 HydrophobicContact CG1-CG 3.55Å; P61-K63 PolarHBondContact O-N 3.24Å; K63-I68 HydrophobicContact CB-CD1 3.96Å; K63-I68 HydrophobicContact CB-CG1 4.01Å; K63-F86 HydrophobicContact CB-CE1 4.32Å; K63-F86 HydrophobicContact CB-CZ 4.49Å; K63-F86 HydrophobicContact CD-CD1 3.88Å; K63-F86 HydrophobicContact CD-CE1 3.82Å; K63-F86 HydrophobicContact CG-CD1 3.83Å; K63-F86 HydrophobicContact CG-CE1 3.82Å; K63-F86 HydrophobicContact CG-CG 4.4Å; K63-F86 HydrophobicContact CG-CZ 4.39Å
64S91.6Very high91.4Very high54 Ų5466.9 Ų66.938%0.37835%0.351SS..  trans-75.4153.917970.50000112N66 E67 I68S64-N66 PolarHBondContact O-N 3.13Å; S64-N66 VanDerWaalsContact O-N 3.15Å; S64-E67 VanDerWaalsContact CB-OE2 3.23Å; S64-E67 WeakPolarHBondContact CB-OE2 3.16Å; S64-E67 PolarHBondContact N-OE2 2.66Å; S64-E67 PolarHBondContact O-N 3.05Å; S64-E67 WeakPolarHBondContact OG-CG 3.43Å; S64-E67 PolarHBondContact OG-N 2.93Å; S64-E67 PolarHBondContact OG-OE2 2.8Å; S64-I68 WeakPolarHBondContact O-CG1 3.4Å; S64-I68 PolarHBondContact O-N 3.39Å; S64-I68 VanDerWaalsContact O-N 3.09Å
65N92.4Very high91.2Very high71 Ų7161 Ų6138%0.3833%0.33SS..Hα-helixtrans-52.2-37.8173.8-68.80.5000111.8I53 R57 I68 V69I53-N65 HydrophobicContact CG2-CB 4.17Å; R57-N65 WeakPolarHBondContact CD-OD1 3.32Å; R57-N65 PolarHBondContact NH1-OD1 3.14Å; N65-I68 PolarHBondContact O-N 3.36Å; N65-V69 WeakPolarHBondContact O-CG2 3.11Å; N65-V69 PolarHBondContact O-N 3.4Å
66N91.1Very high90.9Very high122 Ų12266 Ų6665%0.65235%0.351SS*.Hα-helixtrans-70.3-42.2-176.2-63.62.3000111.9S64 I68 V69 L70S64-N66 PolarHBondContact O-N 3.13Å; S64-N66 VanDerWaalsContact O-N 3.15Å; N66-I68 VanDerWaalsContact C-N 3.31Å; N66-V69 PolarHBondContact O-N 3.43Å; N66-L70 WeakPolarHBondContact O-CG 3.26Å; N66-L70 PolarHBondContact O-N 2.82Å; N66-L70 VanDerWaalsContact O-N 3.14Å
67E91.2Very high90.8Very high67 Ų6768.8 Ų68.831%0.31336%0.364SS..Hα-helixtrans-62.3-42173.7-70.5163.2111.500111.1S64 L70 V71 F86 L95S64-E67 VanDerWaalsContact CB-OE2 3.23Å; S64-E67 WeakPolarHBondContact CB-OE2 3.16Å; S64-E67 PolarHBondContact N-OE2 2.66Å; S64-E67 PolarHBondContact O-N 3.05Å; S64-E67 WeakPolarHBondContact OG-CG 3.43Å; S64-E67 PolarHBondContact OG-N 2.93Å; S64-E67 PolarHBondContact OG-OE2 2.8Å; E67-L70 PolarHBondContact O-N 3.25Å; E67-V71 WeakPolarHBondContact O-CG2 3.32Å; E67-V71 PolarHBondContact O-N 2.94Å; E67-F86 HydrophobicContact CB-CZ 4.43Å; E67-L95 HydrophobicContact CB-CD1 3.86Å; E67-L95 HydrophobicContact CB-CD2 3.87Å; E67-L95 HydrophobicContact CG-CD1 3.95Å; E67-L95 HydrophobicContact CG-CD2 4.01Å
68I93.1Very high90.6Very high0 Ų066.4 Ų66.40%036%0.359CS..Hα-helixtrans-66.5-38.4179.3-68.8172.2000111.6I53 V56 R57 K63 S64 N65 N66 V71 L72 F86I53-I68 HydrophobicContact CB-CG2 4.27Å; I53-I68 HydrophobicContact CG1-CG2 4.07Å; I53-I68 HydrophobicContact CG2-CG2 4.22Å; V56-I68 HydrophobicContact CB-CD1 4.38Å; V56-I68 HydrophobicContact CB-CG2 3.77Å; V56-I68 HydrophobicContact CG1-CD1 3.95Å; V56-I68 HydrophobicContact CG1-CG1 3.99Å; V56-I68 HydrophobicContact CG1-CG2 3.85Å; V56-I68 HydrophobicContact CG2-CG2 4.12Å; R57-I68 HydrophobicContact CB-CD1 4.41Å; R57-I68 HydrophobicContact CG-CD1 3.18Å; K63-I68 HydrophobicContact CB-CD1 3.96Å; K63-I68 HydrophobicContact CB-CG1 4.01Å; S64-I68 WeakPolarHBondContact O-CG1 3.4Å; S64-I68 PolarHBondContact O-N 3.39Å; S64-I68 VanDerWaalsContact O-N 3.09Å; N65-I68 PolarHBondContact O-N 3.36Å; N66-I68 VanDerWaalsContact C-N 3.31Å; I68-V71 PolarHBondContact O-N 3.12Å; I68-L72 HydrophobicContact CG2-CD1 3.75Å; I68-L72 HydrophobicContact CG2-CG 4.27Å; I68-L72 VanDerWaalsContact O-CB 3.27Å; I68-L72 WeakPolarHBondContact O-CB 3.36Å; I68-L72 VanDerWaalsContact O-CG 3.29Å; I68-L72 WeakPolarHBondContact O-CG 3.05Å; I68-L72 PolarHBondContact O-N 2.81Å; I68-F86 HydrophobicContact CB-CE2 4.35Å; I68-F86 HydrophobicContact CG1-CE2 3.66Å; I68-F86 HydrophobicContact CG1-CZ 3.81Å
69V92.6Very high90.6Very high46 Ų4663.7 Ų63.728%0.27934%0.339SS..Hα-helixtrans-60.3-46.3172.5166.70000111.4V49 I53 N65 N66 V71 L72 Q73V49-V69 HydrophobicContact CG1-CG2 4.33Å; I53-V69 HydrophobicContact CD1-CG2 3.46Å; I53-V69 VanDerWaalsContact CD1-CG2 3.46Å; I53-V69 HydrophobicContact CG1-CG2 3.94Å; N65-V69 WeakPolarHBondContact O-CG2 3.11Å; N65-V69 PolarHBondContact O-N 3.4Å; N66-V69 PolarHBondContact O-N 3.43Å; V69-V71 PolarHBondContact O-N 3.08Å; V69-L72 PolarHBondContact O-N 2.71Å; V69-Q73 VanDerWaalsContact O-CB 3.26Å; V69-Q73 WeakPolarHBondContact O-CB 3.34Å; V69-Q73 PolarHBondContact O-N 2.92Å
70L92.2Very high90.7Very high44 Ų4464.9 Ų64.923%0.2334%0.342CS..Hα-helixtrans-63.7-40.7-180-68.6170.8000112.2N66 E67 Q74 L95 W98N66-L70 WeakPolarHBondContact O-CG 3.26Å; N66-L70 PolarHBondContact O-N 2.82Å; N66-L70 VanDerWaalsContact O-N 3.14Å; E67-L70 PolarHBondContact O-N 3.25Å; L70-Q74 PolarHBondContact O-N 2.94Å; L70-Q74 VanDerWaalsContact O-N 3.16Å; L70-L95 HydrophobicContact CB-CD2 3.89Å; L70-L95 HydrophobicContact CD1-CD2 3.94Å; L70-W98 HydrophobicContact CD2-CD2 3.81Å; L70-W98 HydrophobicContact CD2-CE3 3.71Å; L70-W98 HydrophobicContact CD2-CG 4.28Å; L70-W98 HydrophobicContact CD2-CH2 4.49Å; L70-W98 HydrophobicContact CD2-CZ3 4.07Å
71V92.8Very high90.9Very high0 Ų069.8 Ų69.80%036%0.362CS..Hα-helixtrans-72-41.3177.7175.40000111.5E67 I68 V69 Q73 Q74 F75 A82 A85 F86 A91 V94 L95E67-V71 WeakPolarHBondContact O-CG2 3.32Å; E67-V71 PolarHBondContact O-N 2.94Å; I68-V71 PolarHBondContact O-N 3.12Å; V69-V71 PolarHBondContact O-N 3.08Å; V71-Q73 VanDerWaalsContact C-N 3.34Å; V71-Q73 PolarHBondContact O-N 2.75Å; V71-Q74 WeakPolarHBondContact O-CB 3.26Å; V71-Q74 PolarHBondContact O-N 3.04Å; V71-F75 HydrophobicContact CG1-CD2 3.99Å; V71-F75 HydrophobicContact CG1-CE2 3.92Å; V71-F75 VanDerWaalsContact O-CD2 3.24Å; V71-F75 WeakPolarHBondContact O-CD2 3.42Å; V71-F75 PolarHBondContact O-N 3.26Å; V71-A82 HydrophobicContact CG1-CB 3.98Å; V71-A85 HydrophobicContact CG1-CB 4.33Å; V71-F86 HydrophobicContact CB-CE2 3.83Å; V71-F86 HydrophobicContact CB-CZ 3.88Å; V71-F86 HydrophobicContact CG1-CD2 4.34Å; V71-F86 HydrophobicContact CG1-CE2 3.88Å; V71-F86 HydrophobicContact CG1-CZ 4.28Å; V71-F86 HydrophobicContact CG2-CE1 4.13Å; V71-F86 HydrophobicContact CG2-CE2 4.04Å; V71-F86 HydrophobicContact CG2-CZ 3.58Å; V71-A91 HydrophobicContact CG1-CB 4.23Å; V71-A91 HydrophobicContact CG2-CB 3.88Å; V71-V94 HydrophobicContact CG2-CG1 4.4Å; V71-L95 HydrophobicContact CG2-CD1 4.17Å; V71-L95 HydrophobicContact CG2-CD2 4.1Å; V71-L95 HydrophobicContact CG2-CG 3.93Å
72L93.2Very high91.2Very high0 Ų066 Ų660%034%0.337CS..Hα-helixtrans-59.8-43.7172.2-79.3168.1000111.4K52 I53 V56 I68 V69 Q74 F75 D76 F77 A82K52-L72 HydrophobicContact CB-CD1 4.03Å; K52-L72 HydrophobicContact CB-CD2 4.48Å; I53-L72 HydrophobicContact CG1-CD1 4.19Å; V56-L72 HydrophobicContact CG2-CD1 4.4Å; V56-L72 HydrophobicContact CG2-CD2 4.14Å; V56-L72 HydrophobicContact CG2-CG 4.39Å; I68-L72 HydrophobicContact CG2-CD1 3.75Å; I68-L72 HydrophobicContact CG2-CG 4.27Å; I68-L72 VanDerWaalsContact O-CB 3.27Å; I68-L72 WeakPolarHBondContact O-CB 3.36Å; I68-L72 VanDerWaalsContact O-CG 3.29Å; I68-L72 WeakPolarHBondContact O-CG 3.05Å; I68-L72 PolarHBondContact O-N 2.81Å; V69-L72 PolarHBondContact O-N 2.71Å; L72-Q74 PolarHBondContact O-N 2.96Å; L72-F75 CarbonylContact O-C 3.48Å; L72-F75 PolarHBondContact O-N 2.89Å; L72-F75 VanDerWaalsContact O-N 3.1Å; L72-D76 PolarHBondContact O-N 2.97Å; L72-F77 HydrophobicContact CB-CD1 3.87Å; L72-F77 HydrophobicContact CB-CE1 4.48Å; L72-F77 VanDerWaalsContact O-CA 3.29Å; L72-F77 WeakPolarHBondContact O-CA 3.48Å; L72-F77 PolarHBondContact O-N 3.3Å; L72-A82 HydrophobicContact CD2-CB 3.68Å; L72-A82 HydrophobicContact CG-CB 4.05Å
73Q90.3Very high91.5Very high97 Ų9759.9 Ų59.945%0.45331%0.305SS..Hα-helixtrans-63-28.5177.9-174.6172.49.600112.5V69 V71 F75 F77V69-Q73 VanDerWaalsContact O-CB 3.26Å; V69-Q73 WeakPolarHBondContact O-CB 3.34Å; V69-Q73 PolarHBondContact O-N 2.92Å; V71-Q73 VanDerWaalsContact C-N 3.34Å; V71-Q73 PolarHBondContact O-N 2.75Å; Q73-F75 VanDerWaalsContact C-N 3.33Å; Q73-F77 HydrophobicContact CB-CE1 4.27Å; Q73-F77 HydrophobicContact CB-CZ 4.09Å; Q73-F77 HydrophobicContact CG-CZ 4.21Å
74Q88.3Confident91.6Very high92 Ų9261.6 Ų61.643%0.4331%0.314SS..Hα-helixtrans-76-18.1176.3-167.156.47500113.9L70 V71 L72 V94L70-Q74 PolarHBondContact O-N 2.94Å; L70-Q74 VanDerWaalsContact O-N 3.16Å; V71-Q74 WeakPolarHBondContact O-CB 3.26Å; V71-Q74 PolarHBondContact O-N 3.04Å; L72-Q74 PolarHBondContact O-N 2.96Å; Q74-V94 HydrophobicContact CB-CG1 3.73Å; Q74-V94 HydrophobicContact CG-CG1 3.72Å; Q74-V94 HydrophobicContact CG-CG2 3.96Å
75F89.1Confident91.7Very high58 Ų5859.2 Ų59.225%0.25430%0.298SS..THydrogen-bonded Turntrans-123.338.4-177.1-61.9-60.7000112.8V71 L72 Q73 F77 N78 K81 A85V71-F75 HydrophobicContact CG1-CD2 3.99Å; V71-F75 HydrophobicContact CG1-CE2 3.92Å; V71-F75 VanDerWaalsContact O-CD2 3.24Å; V71-F75 WeakPolarHBondContact O-CD2 3.42Å; V71-F75 PolarHBondContact O-N 3.26Å; L72-F75 CarbonylContact O-C 3.48Å; L72-F75 PolarHBondContact O-N 2.89Å; L72-F75 VanDerWaalsContact O-N 3.1Å; Q73-F75 VanDerWaalsContact C-N 3.33Å; F75-F77 PolarHBondContact O-N 3.46Å; F75-F77 VanDerWaalsContact O-N 3.08Å; F75-N78 WeakPolarHBondContact O-CB 3.49Å; F75-N78 PolarHBondContact O-N 3.01Å; F75-K81 HydrophobicContact CB-CB 3.96Å; F75-K81 HydrophobicContact CB-CD 4.4Å; F75-K81 HydrophobicContact CD1-CB 4.37Å; F75-K81 HydrophobicContact CD2-CB 4.4Å; F75-K81 HydrophobicContact CG-CB 4.02Å; F75-A85 HydrophobicContact CE2-CB 3.53Å; F75-A85 HydrophobicContact CZ-CB 4Å
76D88.9Confident91.7Very high143 Ų14356.6 Ų56.677%0.76528%0.283SS*.THydrogen-bonded Turntrans53.831.1176.6-54.3-53.3000114.3L72 N78L72-D76 PolarHBondContact O-N 2.97Å; D76-N78 PolarHBondContact O-N 2.88Å
77F89.9Confident91.8Very high59 Ų5955.4 Ų55.426%0.25928%0.28SS..THydrogen-bonded Turntrans5631.7-172.7-55.1-87.7000114.1V49 K52 L72 Q73 F75V49-F77 HydrophobicContact CG2-CD1 3.57Å; V49-F77 HydrophobicContact CG2-CE1 3.68Å; V49-F77 HydrophobicContact CG2-CG 4.34Å; K52-F77 HydrophobicContact CD-CB 4.2Å; K52-F77 VanDerWaalsContact CD-O 3.32Å; K52-F77 WeakPolarHBondContact CD-O 3.23Å; K52-F77 WeakPolarHBondContact CE-O 3.36Å; K52-F77 PolarHBondContact NZ-O 3.21Å; L72-F77 HydrophobicContact CB-CD1 3.87Å; L72-F77 HydrophobicContact CB-CE1 4.48Å; L72-F77 VanDerWaalsContact O-CA 3.29Å; L72-F77 WeakPolarHBondContact O-CA 3.48Å; L72-F77 PolarHBondContact O-N 3.3Å; Q73-F77 HydrophobicContact CB-CE1 4.27Å; Q73-F77 HydrophobicContact CB-CZ 4.09Å; Q73-F77 HydrophobicContact CG-CZ 4.21Å; F75-F77 PolarHBondContact O-N 3.46Å; F75-F77 VanDerWaalsContact O-N 3.08Å
78N90.4Very high91.7Very high55 Ų5557.2 Ų57.229%0.29429%0.292SS..  trans-79.9127.4167.2175.9-93.9000110.6F75 D76 D80 K81 A82F75-N78 WeakPolarHBondContact O-CB 3.49Å; F75-N78 PolarHBondContact O-N 3.01Å; D76-N78 PolarHBondContact O-N 2.88Å; N78-D80 PolarHBondContact ND2-OD2 2.94Å; N78-D80 PolarHBondContact OD1-N 3.04Å; N78-K81 HydrophobicContact CB-CB 4.45Å; N78-K81 HydrophobicContact CB-CD 4.3Å; N78-K81 VanDerWaalsContact OD1-CB 3.29Å; N78-K81 WeakPolarHBondContact OD1-CB 3.43Å; N78-K81 VanDerWaalsContact OD1-CG 3.24Å; N78-K81 WeakPolarHBondContact OD1-CG 3.47Å; N78-K81 PolarHBondContact OD1-N 3.14Å; N78-A82 WeakPolarHBondContact O-CB 3.44Å; N78-A82 PolarHBondContact O-N 3.06Å
79V93.1Very high91.4Very high30 Ų3058.6 Ų58.618%0.18231%0.306CS..Hα-helixtrans-69.7-45.4-176.1173.30000111.1K52 A55 V56 K81 A82 V83K52-V79 HydrophobicContact CB-CG2 3.84Å; K52-V79 HydrophobicContact CD-CG2 4.31Å; K52-V79 HydrophobicContact CG-CG2 3.59Å; A55-V79 HydrophobicContact CB-CG1 4.03Å; A55-V79 HydrophobicContact CB-CG2 4.5Å; V56-V79 HydrophobicContact CG2-CG1 3.98Å; V79-K81 PolarHBondContact O-N 3.42Å; V79-A82 PolarHBondContact O-N 3.25Å; V79-A82 VanDerWaalsContact O-N 3.12Å; V79-V83 HydrophobicContact CG1-CG2 4.19Å; V79-V83 WeakPolarHBondContact O-CG2 3.46Å; V79-V83 PolarHBondContact O-N 3.48Å
80D92.3Very high91.2Very high113 Ų11359 Ų5960%0.60431%0.311SS*.Hα-helixtrans-65.2-45.5-170.7-38.2-78.4000111N78 A82 V83 Q84N78-D80 PolarHBondContact ND2-OD2 2.94Å; N78-D80 PolarHBondContact OD1-N 3.04Å; D80-A82 VanDerWaalsContact C-N 3.34Å; D80-A82 PolarHBondContact O-N 3.42Å; D80-V83 PolarHBondContact O-N 3.1Å; D80-Q84 VanDerWaalsContact O-CB 3.26Å; D80-Q84 WeakPolarHBondContact O-CB 3.41Å; D80-Q84 PolarHBondContact O-N 3.46Å
81K92.6Very high91.1Very high121 Ų12157 Ų5753%0.52630%0.3SS..Hα-helixtrans-62.2-37.9172.8-71.5176.6-178-177.20112.4F75 N78 V79 A85F75-K81 HydrophobicContact CB-CB 3.96Å; F75-K81 HydrophobicContact CB-CD 4.4Å; F75-K81 HydrophobicContact CD1-CB 4.37Å; F75-K81 HydrophobicContact CD2-CB 4.4Å; F75-K81 HydrophobicContact CG-CB 4.02Å; N78-K81 HydrophobicContact CB-CB 4.45Å; N78-K81 HydrophobicContact CB-CD 4.3Å; N78-K81 VanDerWaalsContact OD1-CB 3.29Å; N78-K81 WeakPolarHBondContact OD1-CB 3.43Å; N78-K81 VanDerWaalsContact OD1-CG 3.24Å; N78-K81 WeakPolarHBondContact OD1-CG 3.47Å; N78-K81 PolarHBondContact OD1-N 3.14Å; V79-K81 PolarHBondContact O-N 3.42Å; K81-A85 VanDerWaalsContact O-CB 3.31Å; K81-A85 WeakPolarHBondContact O-CB 3.39Å; K81-A85 PolarHBondContact O-N 2.96Å
82A92.7Very high90.8Very high0 Ų062.1 Ų62.10%033%0.327CS..Hα-helixtrans-69.7-42.6177.200000111.9V56 V71 L72 N78 V79 D80 A85 F86V56-A82 HydrophobicContact CG2-CB 4.14Å; V71-A82 HydrophobicContact CG1-CB 3.98Å; L72-A82 HydrophobicContact CD2-CB 3.68Å; L72-A82 HydrophobicContact CG-CB 4.05Å; N78-A82 WeakPolarHBondContact O-CB 3.44Å; N78-A82 PolarHBondContact O-N 3.06Å; V79-A82 PolarHBondContact O-N 3.25Å; V79-A82 VanDerWaalsContact O-N 3.12Å; D80-A82 VanDerWaalsContact C-N 3.34Å; D80-A82 PolarHBondContact O-N 3.42Å; A82-A85 PolarHBondContact O-N 3.33Å; A82-F86 WeakPolarHBondContact O-CD2 3.44Å; A82-F86 PolarHBondContact O-N 3.02Å; A82-F86 VanDerWaalsContact O-N 3.12Å
83V93.4Very high90.5Very high22 Ų2267.9 Ų67.913%0.13335%0.354CS..Hα-helixtrans-59.8-51172169.60000110.2V56 V59 V60 V79 D80 A85 F86 V87V56-V83 HydrophobicContact CB-CG2 4.27Å; V56-V83 HydrophobicContact CG1-CG2 4.15Å; V56-V83 HydrophobicContact CG2-CG2 4.11Å; V59-V83 HydrophobicContact CB-CG1 4.07Å; V59-V83 HydrophobicContact CB-CG2 4.33Å; V59-V83 HydrophobicContact CG1-CG1 3.67Å; V59-V83 HydrophobicContact CG2-CG1 4.47Å; V59-V83 HydrophobicContact CG2-CG2 4.42Å; V60-V83 HydrophobicContact CG2-CG1 4.5Å; V79-V83 HydrophobicContact CG1-CG2 4.19Å; V79-V83 WeakPolarHBondContact O-CG2 3.46Å; V79-V83 PolarHBondContact O-N 3.48Å; D80-V83 PolarHBondContact O-N 3.1Å; V83-A85 VanDerWaalsContact C-N 3.33Å; V83-A85 PolarHBondContact O-N 3.36Å; V83-F86 WeakPolarHBondContact O-CA 3.45Å; V83-F86 WeakPolarHBondContact O-CB 3.36Å; V83-F86 PolarHBondContact O-N 3.4Å; V83-V87 HydrophobicContact CG1-CG2 4.36Å; V83-V87 WeakPolarHBondContact O-CG2 3.39Å; V83-V87 PolarHBondContact O-N 3.1Å
84Q93.2Very high90.2Very high99 Ų9963.9 Ų63.946%0.46334%0.336SS..Hα-helixtrans-56.2-46.2179.2-168.963.74400111.3D80 F86 V87 D88D80-Q84 VanDerWaalsContact O-CB 3.26Å; D80-Q84 WeakPolarHBondContact O-CB 3.41Å; D80-Q84 PolarHBondContact O-N 3.46Å; Q84-F86 VanDerWaalsContact C-N 3.28Å; Q84-F86 PolarHBondContact O-N 3.32Å; Q84-V87 PolarHBondContact O-N 3.47Å; Q84-V87 VanDerWaalsContact O-N 3.12Å; Q84-D88 WeakPolarHBondContact CG-OD2 3.33Å; Q84-D88 PolarHBondContact NE2-OD1 2.86Å; Q84-D88 PolarHBondContact NE2-OD2 3.31Å; Q84-D88 WeakPolarHBondContact O-CB 3.24Å; Q84-D88 PolarHBondContact O-N 2.98Å
85A93.3Very high90.2Very high4 Ų460.3 Ų60.33%0.03332%0.32CS..Hα-helixtrans-63.4-31.2176.800000113.6V71 F75 K81 A82 V83 G89 S90 A91V71-A85 HydrophobicContact CG1-CB 4.33Å; F75-A85 HydrophobicContact CE2-CB 3.53Å; F75-A85 HydrophobicContact CZ-CB 4Å; K81-A85 VanDerWaalsContact O-CB 3.31Å; K81-A85 WeakPolarHBondContact O-CB 3.39Å; K81-A85 PolarHBondContact O-N 2.96Å; A82-A85 PolarHBondContact O-N 3.33Å; V83-A85 VanDerWaalsContact C-N 3.33Å; V83-A85 PolarHBondContact O-N 3.36Å; A85-G89 CarbonylContact O-C 3.57Å; A85-G89 PolarHBondContact O-N 3.44Å; A85-S90 WeakPolarHBondContact CA-OG 3.36Å; A85-S90 PolarHBondContact O-N 3.04Å; A85-S90 VanDerWaalsContact O-N 3.13Å; A85-S90 PolarHBondContact O-OG 3.24Å; A85-A91 HydrophobicContact CB-CB 4.07Å; A85-A91 WeakPolarHBondContact O-CB 3.23Å; A85-A91 PolarHBondContact O-N 3.01Å
86F93.2Very high90Very high17 Ų1764.5 Ų64.58%0.07534%0.338CS..Hα-helixtrans-75.7-30.6173.4-81.9-60000113.5V56 V60 K63 E67 I68 V71 A82 V83 Q84 A91 L95V56-F86 HydrophobicContact CG1-CD2 3.86Å; V56-F86 HydrophobicContact CG1-CE2 4.02Å; V60-F86 HydrophobicContact CB-CB 4.43Å; V60-F86 HydrophobicContact CG1-CB 4.01Å; V60-F86 HydrophobicContact CG1-CG 4.39Å; V60-F86 HydrophobicContact CG2-CB 3.91Å; K63-F86 HydrophobicContact CB-CE1 4.32Å; K63-F86 HydrophobicContact CB-CZ 4.49Å; K63-F86 HydrophobicContact CD-CD1 3.88Å; K63-F86 HydrophobicContact CD-CE1 3.82Å; K63-F86 HydrophobicContact CG-CD1 3.83Å; K63-F86 HydrophobicContact CG-CE1 3.82Å; K63-F86 HydrophobicContact CG-CG 4.4Å; K63-F86 HydrophobicContact CG-CZ 4.39Å; E67-F86 HydrophobicContact CB-CZ 4.43Å; I68-F86 HydrophobicContact CB-CE2 4.35Å; I68-F86 HydrophobicContact CG1-CE2 3.66Å; I68-F86 HydrophobicContact CG1-CZ 3.81Å; V71-F86 HydrophobicContact CB-CE2 3.83Å; V71-F86 HydrophobicContact CB-CZ 3.88Å; V71-F86 HydrophobicContact CG1-CD2 4.34Å; V71-F86 HydrophobicContact CG1-CE2 3.88Å; V71-F86 HydrophobicContact CG1-CZ 4.28Å; V71-F86 HydrophobicContact CG2-CE1 4.13Å; V71-F86 HydrophobicContact CG2-CE2 4.04Å; V71-F86 HydrophobicContact CG2-CZ 3.58Å; A82-F86 WeakPolarHBondContact O-CD2 3.44Å; A82-F86 PolarHBondContact O-N 3.02Å; A82-F86 VanDerWaalsContact O-N 3.12Å; V83-F86 WeakPolarHBondContact O-CA 3.45Å; V83-F86 WeakPolarHBondContact O-CB 3.36Å; V83-F86 PolarHBondContact O-N 3.4Å; Q84-F86 VanDerWaalsContact C-N 3.28Å; Q84-F86 PolarHBondContact O-N 3.32Å; F86-A91 HydrophobicContact CD1-CB 3.48Å; F86-A91 VanDerWaalsContact CD1-CB 3.48Å; F86-A91 HydrophobicContact CE1-CB 3.74Å; F86-A91 HydrophobicContact CG-CB 3.95Å; F86-A91 HydrophobicContact CZ-CB 4.37Å; F86-L95 HydrophobicContact CE1-CD1 4.02Å
87V91.9Very high89.6Confident97 Ų9762.5 Ų62.559%0.58832%0.324SS*.Hα-helixtrans-73-49.1174.91720000110.7V83 Q84 G89V83-V87 HydrophobicContact CG1-CG2 4.36Å; V83-V87 WeakPolarHBondContact O-CG2 3.39Å; V83-V87 PolarHBondContact O-N 3.1Å; Q84-V87 PolarHBondContact O-N 3.47Å; Q84-V87 VanDerWaalsContact O-N 3.12Å; V87-G89 PolarHBondContact O-N 2.93Å
88D89.6Confident88.8Confident104 Ų10464.8 Ų64.856%0.55633%0.331SS*.SBendtrans-76.7-0.6-178.8-60.2-20.5000113.3Q84 S90Q84-D88 WeakPolarHBondContact CG-OD2 3.33Å; Q84-D88 PolarHBondContact NE2-OD1 2.86Å; Q84-D88 PolarHBondContact NE2-OD2 3.31Å; Q84-D88 WeakPolarHBondContact O-CB 3.24Å; Q84-D88 PolarHBondContact O-N 2.98Å; D88-S90 PolarHBondContact O-N 3.47Å; D88-S90 VanDerWaalsContact O-N 3.07Å
89G87Confident87.8Confident29 Ų2966.4 Ų66.430%0.29934%0.34SS..SBendtrans71.7-7.8-178.200000115.4A85 V87 A91 I92A85-G89 CarbonylContact O-C 3.57Å; A85-G89 PolarHBondContact O-N 3.44Å; V87-G89 PolarHBondContact O-N 2.93Å; G89-A91 PolarHBondContact O-N 3.18Å; G89-I92 WeakPolarHBondContact O-CB 3.39Å; G89-I92 VanDerWaalsContact O-CG1 3.27Å; G89-I92 WeakPolarHBondContact O-CG1 3.29Å; G89-I92 PolarHBondContact O-N 3.49Å
90S88.2Confident85.8Confident55 Ų5572.1 Ų72.139%0.38537%0.366SS..THydrogen-bonded Turntrans-62.5-24.1-18061.80000113.6A85 D88 I92 Q93 V94A85-S90 WeakPolarHBondContact CA-OG 3.36Å; A85-S90 PolarHBondContact O-N 3.04Å; A85-S90 VanDerWaalsContact O-N 3.13Å; A85-S90 PolarHBondContact O-OG 3.24Å; D88-S90 PolarHBondContact O-N 3.47Å; D88-S90 VanDerWaalsContact O-N 3.07Å; S90-I92 PolarHBondContact O-N 3Å; S90-Q93 WeakPolarHBondContact O-CB 3.31Å; S90-Q93 PolarHBondContact O-N 2.86Å; S90-V94 PolarHBondContact O-N 2.79Å
91A90.1Very high84Confident1 Ų172.8 Ų72.81%0.00838%0.375CS..Hα-helixtrans-55.6-28.616800000113.2V71 A85 F86 G89 Q93 V94 L95V71-A91 HydrophobicContact CG1-CB 4.23Å; V71-A91 HydrophobicContact CG2-CB 3.88Å; A85-A91 HydrophobicContact CB-CB 4.07Å; A85-A91 WeakPolarHBondContact O-CB 3.23Å; A85-A91 PolarHBondContact O-N 3.01Å; F86-A91 HydrophobicContact CD1-CB 3.48Å; F86-A91 VanDerWaalsContact CD1-CB 3.48Å; F86-A91 HydrophobicContact CE1-CB 3.74Å; F86-A91 HydrophobicContact CG-CB 3.95Å; F86-A91 HydrophobicContact CZ-CB 4.37Å; G89-A91 PolarHBondContact O-N 3.18Å; A91-Q93 VanDerWaalsContact C-N 3.25Å; A91-Q93 PolarHBondContact O-N 3.09Å; A91-V94 PolarHBondContact O-N 3.03Å; A91-L95 WeakPolarHBondContact O-CB 3.32Å; A91-L95 VanDerWaalsContact O-CG 3.22Å; A91-L95 WeakPolarHBondContact O-CG 3.14Å; A91-L95 PolarHBondContact O-N 3.42Å
92I86.4Confident82.1Confident109 Ų10970 Ų7056%0.55938%0.38SS*.Hα-helixtrans-63.8-34.2175.5-59.1171.1000110.4G89 S90 K96G89-I92 WeakPolarHBondContact O-CB 3.39Å; G89-I92 VanDerWaalsContact O-CG1 3.27Å; G89-I92 WeakPolarHBondContact O-CG1 3.29Å; G89-I92 PolarHBondContact O-N 3.49Å; S90-I92 PolarHBondContact O-N 3Å; I92-K96 WeakPolarHBondContact O-CB 3.43Å; I92-K96 PolarHBondContact O-N 3.4Å
93Q86.5Confident79.8Confident120 Ų12077.8 Ų77.856%0.56141%0.414SS*.Hα-helixtrans-68.4-49.4176.5179.7167-13.200111.2S90 A91 L95 K96 E97S90-Q93 WeakPolarHBondContact O-CB 3.31Å; S90-Q93 PolarHBondContact O-N 2.86Å; A91-Q93 VanDerWaalsContact C-N 3.25Å; A91-Q93 PolarHBondContact O-N 3.09Å; Q93-L95 VanDerWaalsContact C-N 3.31Å; Q93-L95 PolarHBondContact O-N 3.05Å; Q93-K96 WeakPolarHBondContact O-CB 3.38Å; Q93-K96 PolarHBondContact O-N 2.71Å; Q93-K96 VanDerWaalsContact O-N 3.09Å; Q93-E97 HydrophobicContact CG-CG 4.45Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.46Å; Q93-E97 PolarHBondContact NE2-OE1 2.72Å; Q93-E97 WeakPolarHBondContact O-CG 3.46Å; Q93-E97 PolarHBondContact O-N 2.81Å
94V84.3Confident77.4Confident14 Ų1486.4 Ų86.49%0.08545%0.45CS..Hα-helixtrans-52.9-49.8174.1178.70000110.8V71 Q74 S90 A91 K96 E97 W98V71-V94 HydrophobicContact CG2-CG1 4.4Å; Q74-V94 HydrophobicContact CB-CG1 3.73Å; Q74-V94 HydrophobicContact CG-CG1 3.72Å; Q74-V94 HydrophobicContact CG-CG2 3.96Å; S90-V94 PolarHBondContact O-N 2.79Å; A91-V94 PolarHBondContact O-N 3.03Å; V94-K96 VanDerWaalsContact C-N 3.33Å; V94-K96 PolarHBondContact O-N 3.16Å; V94-E97 PolarHBondContact O-N 2.86Å; V94-W98 PolarHBondContact O-N 3.45Å
95L88.5Confident75.3Confident16 Ų1690.8 Ų90.88%0.08447%0.467CS..Hα-helixtrans-67.4-31.5-179.5-67.8168.9000113E67 L70 V71 F86 A91 Q93 N99E67-L95 HydrophobicContact CB-CD1 3.86Å; E67-L95 HydrophobicContact CB-CD2 3.87Å; E67-L95 HydrophobicContact CG-CD1 3.95Å; E67-L95 HydrophobicContact CG-CD2 4.01Å; L70-L95 HydrophobicContact CB-CD2 3.89Å; L70-L95 HydrophobicContact CD1-CD2 3.94Å; V71-L95 HydrophobicContact CG2-CD1 4.17Å; V71-L95 HydrophobicContact CG2-CD2 4.1Å; V71-L95 HydrophobicContact CG2-CG 3.93Å; F86-L95 HydrophobicContact CE1-CD1 4.02Å; A91-L95 WeakPolarHBondContact O-CB 3.32Å; A91-L95 VanDerWaalsContact O-CG 3.22Å; A91-L95 WeakPolarHBondContact O-CG 3.14Å; A91-L95 PolarHBondContact O-N 3.42Å; Q93-L95 VanDerWaalsContact C-N 3.31Å; Q93-L95 PolarHBondContact O-N 3.05Å; L95-N99 VanDerWaalsContact O-CB 3.25Å; L95-N99 WeakPolarHBondContact O-CB 3.44Å; L95-N99 PolarHBondContact O-N 3.24Å; L95-N99 PolarHBondContact O-ND2 3.06Å
96K85.5Confident72.4Confident146 Ų14698 Ų9864%0.63551%0.505SS*.Hα-helixtrans-71.3-42.2175.9-180-177.3177.3-172.20111.8I92 Q93 V94 N99 M100I92-K96 WeakPolarHBondContact O-CB 3.43Å; I92-K96 PolarHBondContact O-N 3.4Å; Q93-K96 WeakPolarHBondContact O-CB 3.38Å; Q93-K96 PolarHBondContact O-N 2.71Å; Q93-K96 VanDerWaalsContact O-N 3.09Å; V94-K96 VanDerWaalsContact C-N 3.33Å; V94-K96 PolarHBondContact O-N 3.16Å; K96-N99 WeakPolarHBondContact O-CB 3.39Å; K96-N99 PolarHBondContact O-N 2.94Å; K96-M100 WeakPolarHBondContact O-CG 3.44Å; K96-M100 PolarHBondContact O-N 3.45Å
97E79.9Confident69.4Low102 Ų102103.6 Ų103.648%0.47754%0.536SS..Hα-helixtrans-63.8-49.2176.4-72.4167.9-170.800110.5Q93 V94 N99 M100Q93-E97 HydrophobicContact CG-CG 4.45Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.46Å; Q93-E97 PolarHBondContact NE2-OE1 2.72Å; Q93-E97 WeakPolarHBondContact O-CG 3.46Å; Q93-E97 PolarHBondContact O-N 2.81Å; V94-E97 PolarHBondContact O-N 2.86Å; E97-N99 VanDerWaalsContact C-N 3.26Å; E97-N99 PolarHBondContact O-N 3.22Å; E97-M100 WeakPolarHBondContact O-CB 3.41Å; E97-M100 PolarHBondContact O-N 2.61Å
98W73.8Confident66.9Low107 Ų107107.3 Ų107.341%0.40554%0.544SS..Hα-helixtrans-58.9-34.6171.6-85.588.6000113.2L70 V94 M100 T101L70-W98 HydrophobicContact CD2-CD2 3.81Å; L70-W98 HydrophobicContact CD2-CE3 3.71Å; L70-W98 HydrophobicContact CD2-CG 4.28Å; L70-W98 HydrophobicContact CD2-CH2 4.49Å; L70-W98 HydrophobicContact CD2-CZ3 4.07Å; V94-W98 PolarHBondContact O-N 3.45Å; W98-M100 PolarHBondContact O-N 3.05Å; W98-T101 PolarHBondContact O-N 3.4Å
99N68.1Low64.6Low89 Ų89114.5 Ų114.548%0.47656%0.563SS.*THydrogen-bonded Turntrans-69.9-9.8174.7-98-89.4000114.9L95 K96 E97 K103L95-N99 VanDerWaalsContact O-CB 3.25Å; L95-N99 WeakPolarHBondContact O-CB 3.44Å; L95-N99 PolarHBondContact O-N 3.24Å; L95-N99 PolarHBondContact O-ND2 3.06Å; K96-N99 WeakPolarHBondContact O-CB 3.39Å; K96-N99 PolarHBondContact O-N 2.94Å; E97-N99 VanDerWaalsContact C-N 3.26Å; E97-N99 PolarHBondContact O-N 3.22Å; N99-K103 VanDerWaalsContact O-CE 3.27Å; N99-K103 WeakPolarHBondContact O-CE 3.24Å
100M51Low62.4Low149 Ų149122.8 Ų122.873%0.73459%0.591SS**THydrogen-bonded Turntrans-82.6-30.2174.2-62.7-140.462.200112.3K96 E97 W98 G102K96-M100 WeakPolarHBondContact O-CG 3.44Å; K96-M100 PolarHBondContact O-N 3.45Å; E97-M100 WeakPolarHBondContact O-CB 3.41Å; E97-M100 PolarHBondContact O-N 2.61Å; W98-M100 PolarHBondContact O-N 3.05Å; M100-G102 VanDerWaalsContact C-N 3.29Å; M100-G102 PolarHBondContact O-N 3.45Å
101T55.3Low59.8Low128 Ų128132.3 Ų132.379%0.78562%0.619SS**THydrogen-bonded Turntrans-74.9-11.8-177-52.20000113.9W98W98-T101 PolarHBondContact O-N 3.4Å
102G53.2Low57.2Low62 Ų62138 Ų13864%0.63966%0.659SS**THydrogen-bonded Turntrans-111.2-1.3-167.900000118.8M100 K104M100-G102 VanDerWaalsContact C-N 3.29Å; M100-G102 PolarHBondContact O-N 3.45Å; G102-K104 PolarHBondContact O-N 3.39Å
103K43.8Very low54.8Low164 Ų164142.4 Ų142.471%0.71367%0.674SS**  trans-86.466.6-162.2-74.4179.8178.2171.10116.4N99 K105N99-K103 VanDerWaalsContact O-CE 3.27Å; N99-K103 WeakPolarHBondContact O-CE 3.24Å; K103-K105 PolarHBondContact O-N 3.31Å
104K42.4Very low52.2Low203 Ų203142.4 Ų142.488%0.88369%0.687SS**  trans-84.691.3166.2-168170.9-176.11740112.3G102 N106G102-K104 PolarHBondContact O-N 3.39Å; K104-N106 PolarHBondContact O-N 2.95Å
105K49.2Very low49.9Very low190 Ų190150.9 Ų150.983%0.82672%0.722SS**  trans-64.7105.8176.8-173.9175.8-176.8175.20111.8K103K103-K105 PolarHBondContact O-N 3.31Å
106N33.5Very low47.3Very low157 Ų157158 Ų15884%0.8476%0.755SS**  trans-70.7135.5171.9-174.85.5000110.5K104K104-N106 PolarHBondContact O-N 2.95Å
107N30.3Very low44.8Very low133 Ų133158.7 Ų158.771%0.71176%0.76SS**  trans-142.4104.1179.2-161.82.2000111.9
108K38.6Very low42.6Very low176 Ų176161.4 Ų161.477%0.76577%0.773SS**  trans60.4101.9148-170.8-179.8-173.3174.60119
109R41.6Very low40.5Very low254 Ų254159.5 Ų159.596%0.95879%0.787SS**  trans-158.3153.8135-107.2157.7-161.8-138.62.8112.9
110K40.2Very low38.7Very low204 Ų204161.8 Ų161.889%0.88780%0.799SS**  trans-100.4142.4-155.7-51.6168.1177.2177.10115.1
111R33.5Very low38Very low255 Ų255162.5 Ų162.596%0.96280%0.798SS**  trans-175.4148.7131.3-137.5164.8175.4163.3-3.4106.8
112S36.5Very low37Very low121 Ų121163.4 Ų163.485%0.84680%0.798SS**  cis-124.1-149.511.460.50000112.4
113K35.8Very low36.1Very low201 Ų201164.3 Ų164.387%0.87480%0.8SS**  trans-147.6119.5-163.6174.2-172.4175.6-176.80113.4
114S31.7Very low35.5Very low120 Ų120165.4 Ų165.484%0.83980%0.804SS**  trans-153.1142.6155.250.20000111.4
115K35.8Very low34.9Very low191 Ų191161.6 Ų161.683%0.8379%0.793SS**  trans-49159.1172.9-64.3170.8168.1-177.50112.4
116Q33.8Very low34.3Very low166 Ų166160.2 Ų160.278%0.77679%0.787SS**  cis-134153.729.5-114.7143.6-74.300111.9
117H32.3Very low34.2Very low160 Ų160158.1 Ų158.174%0.74178%0.78SS**  48.3130.9104.4-68.117.5000115.2
118Q35Very low34Very low159 Ų159160.4 Ų160.474%0.74379%0.786SS**  cis-139.2155.3-1.4-143.790.8-16.200106.2
119G28.8Very low33.9Very low67 Ų67161.3 Ų161.369%0.69179%0.785SS**  62.4125.468.300000113.2
120N29.9Very low34Very low137 Ų137154.8 Ų154.873%0.73378%0.775SS**  cis-170.7168.8-0.9-161.77.2000111
121K35.8Very low33.4Very low165 Ų165151.2 Ų151.272%0.71776%0.762SS**  trans68.6132.1160.4-75.9169.2177.9-171.20117.6
122D34.6Very low33.2Very low147 Ų147143.4 Ų143.479%0.78675%0.752SS**  76.8135.760.1-68.6-56.3000113.3
123A34.1Very low32.5Very low81 Ų81141 Ų14167%0.66975%0.746SS**  cis-169.3170.6-12.700000111.1
124K31.8Very low32.8Very low187 Ų187137.1 Ų137.181%0.81374%0.742SS**  trans66.1110.2142.8-157.3161.5-175.8-177.70118
125D29.9Very low32.6Very low122 Ų122139.5 Ų139.565%0.65274%0.744SS**  70.212195.5-148.332.4000111
126K36.2Very low32.1Very low161 Ų161138.8 Ų138.870%0.774%0.744SS**  -169.3166.750.7-89.1-157.3169.4-156.60114.2
127V31.8Very low32.4Very low114 Ų114135.8 Ų135.869%0.69174%0.738SS**  trans43.4135132.6-177.40000118
128E26.6Very low32.1Very low180 Ų180136.9 Ų136.984%0.84174%0.744SS**  cis-155.8-177.347.3-150149.4138.500114.4
129R35.9Very low32.6Very low196 Ų196134.4 Ų134.474%0.7474%0.741SS**  trans-127.6123.1171.6164-178.3164.5171.50.5111.2E131R129-E131 IonicContact CZ-OE1 2.81Å; R129-E131 IonicContact NE-OE1 2.71Å; R129-E131 PolarHBondContact NE-OE1 2.99Å; R129-E131 IonicContact NH2-OE1 3.31Å; R129-E131 PolarHBondContact NH2-OE1 3.4Å; R129-E131 IonicContact NH2-OE2 2.71Å
130P43.1Very low33.6Very low116 Ų116136.4 Ų136.475%0.75374%0.742SS**  trans-144.7167.1132.337.3-22.8000113.4
131E28.2Very low33.5Very low130 Ų130138 Ų13861%0.60775%0.745SS**  cis-164.6-177-30.3-112.4-38.5120.400110.5R129R129-E131 IonicContact CZ-OE1 2.81Å; R129-E131 IonicContact NE-OE1 2.71Å; R129-E131 PolarHBondContact NE-OE1 2.99Å; R129-E131 IonicContact NH2-OE1 3.31Å; R129-E131 PolarHBondContact NH2-OE1 3.4Å; R129-E131 IonicContact NH2-OE2 2.71Å
132A28.5Very low33.5Very low91 Ų91137.2 Ų137.275%0.75275%0.747SS**  trans80.4151.816500000119.9
133G22.3Very low33.2Very low70 Ų70137.6 Ų137.672%0.72275%0.745SS**  trans-116.5-142.1163.500000109.9
134P42.8Very low32.9Very low120 Ų120140.7 Ų140.778%0.77975%0.75SS**  cis-144.6-166.3-2.842.8-22.5000115.6
135L26.5Very low32.7Very low169 Ų169135.2 Ų135.289%0.88575%0.746SS**  trans84.3168.3153.4-69.3174.2000123.5
136Q26.1Very low33.7Very low176 Ų176135.4 Ų135.482%0.82275%0.754SS**  trans-103.9-165.2-159.4-105.8-176.9-8.200113.2
137P40.6Very low33.3Very low103 Ų103136.5 Ų136.567%0.66976%0.764SS**  cis-142.4158.8-34.435.9-16.3000118.5
138Q25.4Very low33.3Very low184 Ų184138.8 Ų138.886%0.8677%0.773SS**  trans59.9-167.2152.2-58.8-160.66.400121.5
139P45.7Very low33.3Very low106 Ų106133.5 Ų133.569%0.68877%0.766SS**  -130.8-149.1-96.747-28.6000113.8
140P49.7Very low33.3Very low109 Ų109129.6 Ų129.671%0.70877%0.768SS**  cis-133.3-167.5-28.837.6-17000116.3
141Q28.4Very low32.8Very low171 Ų171130.9 Ų130.980%0.79976%0.763SS**  trans108.6146143.8-89.9-170.111.100126.1
142I34.8Very low33.1Very low148 Ų148131.8 Ų131.876%0.75977%0.765SS**  trans84149.1153.6-100.1169.3000118.5
143Q28.7Very low33.1Very low155 Ų155132.7 Ų132.772%0.72476%0.757SS**  cis-147.7-136.710.1-144.6-152.393.600116.8
144N28.3Very low33.6Very low147 Ų147133.3 Ų133.379%0.78675%0.751SS**  trans-107.2-173.1-168.1-57.3-47.5000114.5
145G27.1Very low33.3Very low71 Ų71130 Ų13073%0.73273%0.731SS**  cis177.6177.32.400000114.6
146P51.6Low33.8Very low126 Ų126125.9 Ų125.982%0.81872%0.716SS**  trans-131.1175.2-161.143.7-30.2000119.4
147M28.3Very low34.1Very low185 Ų185123 Ų12391%0.91171%0.71SS**  trans-161.8-178.1159.6-156.239.87200116
148N31.1Very low33.5Very low162 Ų162125.2 Ų125.287%0.86672%0.717SS**  trans-146.5178.6-142.2-146.12.9000118.8
149G26.6Very low34.1Very low68 Ų68121.1 Ų121.170%0.70171%0.709SS**  trans123.9168.6158.200000118.8
150C35.7Very low33.6Very low115 Ų115121 Ų12178%0.77772%0.716SS**  cis-174.3168-26.2-149.70000113.5
151E31.8Very low32.6Very low142 Ų142122.4 Ų122.466%0.66472%0.718SS**  trans67159.1162.8-49.7-65.252.100121
152K34.4Very low32.6Very low149 Ų149122.2 Ų122.265%0.64872%0.717SS**  cis-154.5-178.8-8.1-14164.9-153.8-179.50116.6
153D30.2Very low32.7Very low110 Ų110124 Ų12459%0.58872%0.719SS**  trans-94.7-174.2-159.5-49-47.5000121.4
154S32.9Very low33.3Very low83 Ų83121.7 Ų121.758%0.5872%0.718SS**  trans119.7118.7131.2710000122.5K527S154-K527 VanDerWaalsContact O-CD 3.24Å; S154-K527 WeakPolarHBondContact O-CD 3.25Å; S154-K527 WeakPolarHBondContact O-CE 3.21Å; S154-K527 PolarHBondContact O-NZ 2.71Å
155S36Very low33.4Very low52 Ų52118.7 Ų118.736%0.36471%0.713SS.*  trans35.9170.2149.4-46.80000123.8K527 N528S155-K527 CarbonylContact C-O 3.58Å; S155-K527 WeakPolarHBondContact O-CB 3.11Å; S155-K527 WeakPolarHBondContact O-CD 3.12Å; S155-N528 PolarHBondContact OG-ND2 2.71Å
156S37.4Very low33.5Very low81 Ų81123.2 Ų123.257%0.56672%0.72SS**  cis-154.9-165.17.7-142.20000116.3K527 N528S156-K527 CarbonylContact C-O 3.56Å; S156-K527 VanDerWaalsContact CA-O 3.29Å; S156-K527 WeakPolarHBondContact CA-O 3.27Å; S156-K527 PolarHBondContact N-O 3.2Å; S156-N528 WeakPolarHBondContact CA-OD1 3.27Å
157T32.2Very low32.6Very low115 Ų115123.6 Ų123.671%0.70672%0.72SS**  trans-101.3171.8-167.151.70000120.9N528T157-N528 WeakPolarHBondContact CG2-OD1 3.47Å
158D27.7Very low33.4Very low150 Ų150119.8 Ų119.880%0.80271%0.709SS**  trans115.4180138.8-149.325.9000121.5
159S37.3Very low33.6Very low99 Ų99122.4 Ų122.469%0.69271%0.706SS**  trans-134.3167.2-132.7-52.30000119.2
160A34.6Very low33.9Very low103 Ų103125.4 Ų125.485%0.85170%0.702SS**  trans61.7134.4158.800000119.8
161N29.3Very low33.9Very low138 Ų138130.1 Ų130.174%0.73871%0.71SS**  -171.716571.9-177.934.7000113.6
162E28.9Very low34.1Very low167 Ų167132.2 Ų132.278%0.7872%0.716SS**  trans71.8149.6154.2-107.1179.4124.200126.4
163K35.9Very low34.1Very low186 Ų186132.5 Ų132.581%0.80972%0.723SS**  trans-108.7-164.5172.7-127.6-167.8178.9176.20107
164P42Very low34Very low107 Ų107132.7 Ų132.770%0.69573%0.733SS**  cis-138.915714.740.7-21.2000119
165A29.5Very low34.1Very low83 Ų83136.1 Ų136.169%0.68674%0.743SS**  trans61.2166.1147.200000119.1
166L30.2Very low34.3Very low166 Ų166138.7 Ų138.787%0.86976%0.759SS**  cis-131.1-174.66.9-83.6169.2000112.2
167V32.1Very low33.8Very low135 Ų135143.2 Ų143.282%0.81877%0.771SS**  trans-139.3-178-177-115.90000108.9
168P46.7Very low33.8Very low105 Ų105144.6 Ų144.668%0.68277%0.769SS**  cis-139.4-167.4-18.531.9-9000114.7
169R34.8Very low34.3Very low217 Ų217142.6 Ų142.682%0.81976%0.764SS**  trans73.3161.1142.3-102.7-176176.7-1346.7118.3
170E31.8Very low33.9Very low131 Ų131141.7 Ų141.761%0.61276%0.758SS**  cis-133.7164.62.1-66.9-156.7142.400113.6
171K35.5Very low33.7Very low214 Ų214146.6 Ų146.693%0.9376%0.761SS**  trans-129.9140.7147.6-78.1-174.8177.8179.40108.3
172K37.2Very low33.6Very low186 Ų186144.4 Ų144.481%0.80976%0.762SS**  trans-124.6142-178-165.9173-178.1178.70111.3
173I33.9Very low33.5Very low155 Ų155143.2 Ų143.280%0.79576%0.76SS**  trans-117.9152179.9-56.9166.4000107.7
174S27.4Very low33.1Very low113 Ų113145 Ų14579%0.7976%0.762SS**  trans-132.2146.3170.4-62.40000110.7
175I36.1Very low32.2Very low156 Ų156143.1 Ų143.180%0.876%0.761SS**  trans-127.1147177-24.8177.3000106.9
176P39.8Very low32.2Very low105 Ų105145.6 Ų145.668%0.68277%0.768SS**  -145.1-17493.945.5-30.3000111.2
177E27.5Very low32Very low177 Ų177143.3 Ų143.383%0.82776%0.761SS**  cis-156.9174.6-5.6-136.8162.487.200110.7
178E31.4Very low31.8Very low143 Ų143146.1 Ų146.167%0.66877%0.765SS**  trans-148.6145.4159.7-160.6-139.8116.100108.3S180E178-S180 VanDerWaalsContact OE1-CA 3.3Å; E178-S180 WeakPolarHBondContact OE1-CA 3.45Å; E178-S180 WeakPolarHBondContact OE1-CB 3.23Å; E178-S180 PolarHBondContact OE1-N 3.48Å; E178-S180 PolarHBondContact OE1-OG 3.09Å
179P37.9Very low30.8Very low108 Ų108144.9 Ų144.970%0.70177%0.771SS**  -153.1117.5110.134.3-14.2000117.7
180S29.7Very low30.4Very low81 Ų81141.9 Ų141.957%0.56677%0.771SS**  64.8154.5118.1-56.60000124.2E178E178-S180 VanDerWaalsContact OE1-CA 3.3Å; E178-S180 WeakPolarHBondContact OE1-CA 3.45Å; E178-S180 WeakPolarHBondContact OE1-CB 3.23Å; E178-S180 PolarHBondContact OE1-N 3.48Å; E178-S180 PolarHBondContact OE1-OG 3.09Å
181K30.1Very low30.4Very low206 Ų206146 Ų14690%0.89678%0.781SS**  trans86.3140.6162.8-56.3171.8-171.81730116.9
182A26.7Very low30.1Very low92 Ų92142.2 Ų142.276%0.7677%0.77SS**  cis-165.1139.3-11.200000115.5
183L27.3Very low29.7Very low142 Ų142139.6 Ų139.674%0.74377%0.765SS**  trans72.6114.9133.1-151.591.8000125.3
184R26.5Very low29.4Very low224 Ų224138.8 Ų138.885%0.84576%0.757SS**  trans69.9148.6144.1-93.8-169.9-97.2-115.51.1124.2
185G24.7Very low29.3Very low67 Ų67142.7 Ų142.769%0.69176%0.763SS**  trans112.4101.9169.100000111.9
186V28.6Very low29Very low135 Ų135142.6 Ų142.682%0.81876%0.757SS**  cis78.3130.243.7-172.70000113.4
187T25.3Very low28.4Very low118 Ų118145.9 Ų145.972%0.72477%0.768SS**  trans84101.3175.6-510000117.9
188E28.7Very low28.2Very low194 Ų194142.7 Ų142.791%0.90777%0.765SS**  35.2119.6122.4-159.4171.1-146.200119.9
189G26.2Very low28.1Very low79 Ų79143.8 Ų143.881%0.81478%0.775SS**  trans-165.7131.4171.800000112.6
190N27Very low27.6Very low153 Ų153146 Ų14682%0.81878%0.781SS**  trans-111.3136.7-169.5-138.5-59.6000112
191R30.4Very low27.5Very low218 Ų218145.4 Ų145.482%0.82379%0.788SS**  trans70.2169.1177.2-50.5-177.5169.2-159.6-5.2113.3
192L28.8Very low27.4Very low134 Ų134141.8 Ų141.870%0.70278%0.778SS**  cis-170.6154.134.2-177.351.2000114
193L30.6Very low27.9Very low131 Ų131143.2 Ų143.269%0.68678%0.779SS**  trans68.8151.9162.8-74.2157.6000118.4
194Q26.8Very low28Very low138 Ų138145.3 Ų145.365%0.64578%0.783SS**  cis-163.1141.3-22-160.7-173.672.900112.4K196Q194-K196 HydrophobicContact CG-CB 4.01Å
195Q25.8Very low28.4Very low195 Ų195140.4 Ų140.491%0.91178%0.78SS**  trans-155.289.9134.9-142.1175.742.400108.4
196K28.7Very low28.8Very low155 Ų155145.1 Ų145.167%0.67479%0.788SS**  76.284.371.7-163.1-163.9175.1-175.20114.2Q194Q194-K196 HydrophobicContact CG-CB 4.01Å
197L27.1Very low28.8Very low173 Ų173147.3 Ų147.391%0.90679%0.789SS**  trans-137.4136138.6-76.5-177.5000109
198S24.7Very low28.8Very low111 Ų111145.5 Ų145.578%0.77679%0.793SS**  trans-158.2127.8178.5-57.30000110.6
199L29.5Very low28.8Very low165 Ų165142.3 Ų142.386%0.86479%0.787SS**  trans-179.7105.8148.9-124.450.5000104.8
200D26.4Very low28.9Very low155 Ų155144.1 Ų144.183%0.82978%0.782SS**  81.2149.575.5-172.139.5000113
201G27.7Very low28.9Very low69 Ų69145 Ų14571%0.71178%0.782SS**  trans148.962.4-17800000115.3
202N28.7Very low28.7Very low130 Ų130144.7 Ų144.770%0.69578%0.781SS**  trans-119.5117.4172.9-178.5-10.5000111.8
203P35.8Very low28.7Very low121 Ų121141.8 Ų141.879%0.78677%0.772SS**  trans-100.5115.816733.9-25.7000112
204K29.7Very low28.5Very low186 Ų186143 Ų14381%0.80978%0.779SS**  trans-87.7156.5164.6-97.2-176.7175178.70111.6
205P36.3Very low28.4Very low122 Ų122139.3 Ų139.379%0.79278%0.778SS**  trans-87.1167.4-164.735.6-38000114.5
206I31.5Very low28.6Very low166 Ų166137.9 Ų137.985%0.85178%0.776SS**  trans-119.2147.9170.2-64.4179.5000110.1
207H29.2Very low28.6Very low181 Ų181138.5 Ų138.584%0.83878%0.781SS**  trans-52.9151-164.8-69.7-99.3000119.4
208G26Very low28.4Very low80 Ų80142 Ų14283%0.82578%0.782SS**  trans-161.7127.4152.200000109.1
209T28.7Very low28.6Very low126 Ų126141.1 Ų141.177%0.77378%0.777SS**  trans-103.8153.2-170.345.60000113.6
210T26.9Very low28.7Very low117 Ų117137.5 Ų137.572%0.71877%0.771SS**  trans146.1110134.1-63.40000112.4
211E28Very low28.7Very low173 Ų173139.4 Ų139.481%0.80877%0.774SS**  trans58.5158.1152.6-67.8-169.417300120.1
212R26.3Very low28.6Very low210 Ų210145.2 Ų145.279%0.79278%0.783SS**  cis-168157-18.8159.7179167.5-173.8-1.4109
213S28.8Very low29.1Very low74 Ų74144.7 Ų144.752%0.51779%0.787SS.*  trans74.8129.9160.2-91.80000120.8
214D25.7Very low28.6Very low155 Ų155144.9 Ų144.983%0.82979%0.789SS**  trans55.4142.9132.6-45.2-41.7000121.3
215G25.9Very low28.4Very low62 Ų62143.2 Ų143.264%0.63979%0.789SS**  cis155.1141.9-4.300000112.4
216L29.1Very low28.8Very low164 Ų164142.8 Ų142.886%0.85979%0.787SS**  trans66.7133.3178.4-46.7177.3000114.2
217Q27.8Very low28.6Very low168 Ų168140.9 Ų140.979%0.78579%0.788SS**  cis71.7103.838.3-161.7-179.838.900113.6
218W23.2Very low28.8Very low246 Ų246141.9 Ų141.993%0.93279%0.79SS**  trans-135.6117.7166.7-175.6-78.1000109.4
219S28.3Very low29.6Very low94 Ų94144.4 Ų144.466%0.65779%0.792SS**  trans-83.9143.9173.1-62.60000110.5
220A31.6Very low29.7Very low89 Ų89148.4 Ų148.474%0.73680%0.799SS**  trans-76143169.300000110.5
221E27Very low30Very low194 Ų194147.3 Ų147.391%0.90780%0.802SS**  trans178.6124.1132.5-101.2175.6155.500111.6
222Q26.6Very low30.6Very low191 Ų191149.1 Ų149.189%0.89381%0.806SS**  trans-159.1125.8152-134.1-17031.100111.1
223P39.2Very low31Very low119 Ų119145.7 Ų145.777%0.77381%0.809SS**  trans-80.3151.4172.9-1228.9000112.4
224C23.9Very low31.1Very low125 Ų125148 Ų14885%0.84583%0.825SS**  trans-113131.2176.5-175.10000111
225N26.4Very low31.8Very low151 Ų151146 Ų14681%0.80782%0.821SS**  trans-121.9133.9176.3-89.8-46.6000110.9
226P43.8Very low32Very low114 Ų114150.3 Ų150.374%0.7483%0.834SS**  trans-89.8148.9-177.535.3-34.7000113
227S27.5Very low32.3Very low126 Ų126151.9 Ų151.988%0.88183%0.834SS**  trans-153.2150164.4-87.50000112.7
228K34.3Very low32.3Very low202 Ų202149 Ų14988%0.87883%0.833SS**  trans-99.9135.9-173.3-59.3169.2-178.1171.60110.8
229P41.9Very low32.6Very low133 Ų133144.6 Ų144.686%0.86483%0.828SS**  trans-75.8150.3162.832.1-32.6000110.9
230K31.1Very low32.9Very low210 Ų210146.2 Ų146.291%0.91383%0.833SS**  trans-128.7134177.5-159.3177.6-174.7-1780108.5
231A34.4Very low33.3Very low94 Ų94147.9 Ų147.978%0.77784%0.837SS**  trans-74.8152.7-168.300000114.4
232K39.8Very low33.7Very low210 Ų210143.1 Ų143.191%0.91383%0.831SS**  trans-140.8155.8157-80.7-165174.7-175.50109.4
233T35Very low34.2Very low138 Ų138138.7 Ų138.785%0.84783%0.827SS**  trans-126.9139.9-166.449.90000112.2
234S30.4Very low34.2Very low123 Ų123139.2 Ų139.286%0.8682%0.818SS**  trans-164.7153.3142.4-139.70000111
235P40Very low35.1Very low113 Ų113140.5 Ų140.573%0.73482%0.816SS**  trans-111.3151-169.738.8-30.7000115.3
236V31.2Very low35.9Very low152 Ų152139 Ų13992%0.92180%0.804SS**  trans-134.2144.8152.9179.60000108.1
237K35Very low36.1Very low197 Ų197140.3 Ų140.386%0.85780%0.804SS**  trans-101.3141.1-175.7-56.5172.8-177.3174.40111.1
238S28.4Very low36.6Very low109 Ų109139.9 Ų139.976%0.76279%0.786SS**  -179.6143121.236.80000114
239N28.9Very low37.5Very low153 Ų153136.2 Ų136.282%0.81878%0.783SS**  trans50.7100.1147.1-57.713.6000120.8
240T35.4Very low38Very low127 Ų127134.5 Ų134.578%0.77977%0.766SS**  trans-54155.51386.60000111.2
241P38.6Very low38.7Very low125 Ų125131 Ų13181%0.81275%0.753SS**  -11716596.934.8-35.7000112.9
242A35.9Very low39.6Very low94 Ų94132.5 Ų132.578%0.77775%0.748SS**  trans-81.4125.4-171.500000113.3
243A37Very low40.3Very low97 Ų97124.4 Ų124.480%0.80272%0.72SS**  trans-112.681.5150.900000107.6L245A243-L245 PolarHBondContact O-N 2.96Å
244H39.3Very low41.3Very low130 Ų130124.9 Ų124.960%0.60271%0.71SS**  trans-69101.9176.3175.5-78.7000109E246H244-E246 IonicContact CD2-OE2 3.11Å; H244-E246 IonicContact CE1-OE2 2.94Å; H244-E246 PolarHBondContact CE1-OE2 3.18Å; H244-E246 VanDerWaalsContact NE2-CD 3.27Å; H244-E246 VanDerWaalsContact NE2-CG 3.27Å; H244-E246 WeakPolarHBondContact NE2-CG 3.38Å; H244-E246 IonicContact NE2-OE2 3.56Å; H244-E246 PolarHBondContact NE2-OE2 3.35Å
245L43.5Very low42.6Very low152 Ų152128.2 Ų128.280%0.79671%0.709SS**  trans-118.968.9155.9-74.1177.7000107.9A243 I247A243-L245 PolarHBondContact O-N 2.96Å; L245-I247 PolarHBondContact O-N 3.03Å
246E41.6Very low43.5Very low119 Ų119128.6 Ų128.656%0.55670%0.696SS**  trans-61.994.8152.5-76.7-174.813700107.4H244 K248H244-E246 IonicContact CD2-OE2 3.11Å; H244-E246 IonicContact CE1-OE2 2.94Å; H244-E246 PolarHBondContact CE1-OE2 3.18Å; H244-E246 VanDerWaalsContact NE2-CD 3.27Å; H244-E246 VanDerWaalsContact NE2-CG 3.27Å; H244-E246 WeakPolarHBondContact NE2-CG 3.38Å; H244-E246 IonicContact NE2-OE2 3.56Å; H244-E246 PolarHBondContact NE2-OE2 3.35Å; E246-K248 HydrophobicContact CB-CG 4.15Å; E246-K248 PolarHBondContact O-N 3.35Å; E246-K248 VanDerWaalsContact OE2-CE 3.26Å; E246-K248 WeakPolarHBondContact OE2-CE 3.3Å
247I47.8Very low44.9Very low142 Ų142123.6 Ų123.673%0.72868%0.675SS**  trans-67.881.9159.1-57.6178.4000105.9L245L245-I247 PolarHBondContact O-N 3.03Å
248K39.7Very low46.5Very low118 Ų118119.8 Ų119.851%0.51367%0.67SS.*  trans-57131.6177-75.2-172.2173.6179.60107.9E246 D250 E251E246-K248 HydrophobicContact CB-CG 4.15Å; E246-K248 PolarHBondContact O-N 3.35Å; E246-K248 VanDerWaalsContact OE2-CE 3.26Å; E246-K248 WeakPolarHBondContact OE2-CE 3.3Å; K248-D250 PolarHBondContact O-N 3.31Å; K248-E251 PolarHBondContact O-N 3.45Å
249P53.3Low48.6Very low124 Ų124120.5 Ų120.581%0.80567%0.666SS**Hα-helixtrans-59.4-18.1177.423.5-33.1000112.8
250D50.6Low51.3Low98 Ų98116.2 Ų116.252%0.52464%0.642SS.*Hα-helixtrans-74.6-21.6176.7-165.965.9000115.2K248 K254K248-D250 PolarHBondContact O-N 3.31Å; D250-K254 IonicContact OD2-NZ 2.66Å; D250-K254 PolarHBondContact OD2-NZ 3.44Å
251E46.8Very low53.7Low137 Ų137114.4 Ų114.464%0.6463%0.625SS**Hα-helixtrans-78-40175.8-94.3-103.910500111.8K248 A253 K254K248-E251 PolarHBondContact O-N 3.45Å; E251-A253 PolarHBondContact O-N 3.02Å; E251-K254 PolarHBondContact O-N 3.49Å
252L54Low56.1Low125 Ų125116 Ų11665%0.65462%0.619SS**Hα-helixtrans-66.8-25.5-178.6-156.779000112.5
253A54.4Low58.8Low40 Ų40114.1 Ų114.133%0.33160%0.6SS.*Hα-helixtrans-62-42.4173.900000112E251 K255 R256E251-A253 PolarHBondContact O-N 3.02Å; A253-K255 VanDerWaalsContact C-N 3.27Å; A253-K255 PolarHBondContact O-N 2.9Å; A253-R256 WeakPolarHBondContact O-CB 3.47Å; A253-R256 PolarHBondContact O-N 3.07Å
254K55.3Low61.5Low148 Ų148111 Ų11164%0.64357%0.571SS**Hα-helixtrans-71.2-16.8-172.7-72.5156.7-178.7151.70114.4D250 E251D250-K254 IonicContact OD2-NZ 2.66Å; D250-K254 PolarHBondContact OD2-NZ 3.44Å; E251-K254 PolarHBondContact O-N 3.49Å
255K56.8Low64.2Low192 Ų192111 Ų11184%0.83557%0.569SS**THydrogen-bonded Turntrans-96.7-4.2170.2-69.8-176.8178.9173.40113.8A253 G257A253-K255 VanDerWaalsContact C-N 3.27Å; A253-K255 PolarHBondContact O-N 2.9Å; K255-G257 PolarHBondContact O-N 3.15Å
256R59.8Low66.6Low122 Ų122107.2 Ų107.246%0.4655%0.55SS..SBendtrans-85.284.7173.3-96.4-167140.7169.9-2.8110.4A253 I260A253-R256 WeakPolarHBondContact O-CB 3.47Å; A253-R256 PolarHBondContact O-N 3.07Å; R256-I260 HydrophobicContact CB-CG2 3.4Å; R256-I260 VanDerWaalsContact CB-CG2 3.4Å; R256-I260 HydrophobicContact CG-CG2 3.55Å
257G60.2Low69.2Low46 Ų46107 Ų10747%0.47455%0.552SS.*  trans-50.5139.4-177.500000113.6K255 N259 I260K255-G257 PolarHBondContact O-N 3.15Å; G257-N259 PolarHBondContact O-N 2.88Å; G257-I260 WeakPolarHBondContact O-CG2 3.42Å; G257-I260 PolarHBondContact O-N 3.23Å
258P68.1Low71.6Confident118 Ų118105.4 Ų105.477%0.76654%0.541SS*.THydrogen-bonded Turntrans-54.2-21.2-152.3-31.936.2000118.5I260P258-I260 VanDerWaalsContact C-N 3.31Å; P258-I260 PolarHBondContact O-N 3.14Å
259N72.4Confident74.3Confident124 Ų124107.4 Ų107.466%0.66355%0.546SS*.Hα-helixtrans-58.5-40.4173.4-177.2-73.6000112.6G257 E261 K262 S263G257-N259 PolarHBondContact O-N 2.88Å; N259-E261 PolarHBondContact O-N 3.25Å; N259-K262 WeakPolarHBondContact O-CB 3.38Å; N259-K262 PolarHBondContact O-N 3.45Å; N259-S263 PolarHBondContact O-N 3.36Å; N259-S263 VanDerWaalsContact O-N 3.15Å; N259-S263 PolarHBondContact O-OG 3.04Å; N259-S263 PolarHBondContact OD1-OG 3.49Å
260I86.6Confident76.4Confident62 Ų62104.3 Ų104.332%0.31853%0.526SS..Hα-helixtrans-71.2-30.4-172.4-166.860.2000112.4R256 G257 P258 K262 S263 V264R256-I260 HydrophobicContact CB-CG2 3.4Å; R256-I260 VanDerWaalsContact CB-CG2 3.4Å; R256-I260 HydrophobicContact CG-CG2 3.55Å; G257-I260 WeakPolarHBondContact O-CG2 3.42Å; G257-I260 PolarHBondContact O-N 3.23Å; P258-I260 VanDerWaalsContact C-N 3.31Å; P258-I260 PolarHBondContact O-N 3.14Å; I260-K262 VanDerWaalsContact C-N 3.35Å; I260-S263 PolarHBondContact O-N 3.2Å; I260-V264 HydrophobicContact CG1-CG2 4.37Å; I260-V264 WeakPolarHBondContact O-CB 3.29Å; I260-V264 VanDerWaalsContact O-CG2 3.23Å; I260-V264 WeakPolarHBondContact O-CG2 3.47Å; I260-V264 PolarHBondContact O-N 3.32Å
261E86.1Confident78.7Confident89 Ų89103.2 Ų103.242%0.41652%0.523SS..Hα-helixtrans-65-39.9175.1-61.4-161.5154.800112.2N259 S263 V264 K265N259-E261 PolarHBondContact O-N 3.25Å; E261-S263 VanDerWaalsContact C-N 3.34Å; E261-V264 PolarHBondContact O-N 3.15Å; E261-K265 WeakPolarHBondContact O-CB 3.2Å; E261-K265 WeakPolarHBondContact O-CG 3.35Å; E261-K265 PolarHBondContact O-N 3.09Å
262K89.8Confident81.1Confident158 Ų158101.7 Ų101.769%0.68752%0.523SS*.Hα-helixtrans-62.3-44.7174.3-174.6-179.4178.7-178.70110.5N259 I260 K265 D266N259-K262 WeakPolarHBondContact O-CB 3.38Å; N259-K262 PolarHBondContact O-N 3.45Å; I260-K262 VanDerWaalsContact C-N 3.35Å; K262-K265 PolarHBondContact O-N 2.9Å; K262-D266 PolarHBondContact O-N 3.44Å
263S92.4Very high83.2Confident56 Ų5698.3 Ų98.339%0.39251%0.51SS..Hα-helixtrans-66.9-34.2177.6-60.30000113.1N259 I260 E261 D266 L267N259-S263 PolarHBondContact O-N 3.36Å; N259-S263 VanDerWaalsContact O-N 3.15Å; N259-S263 PolarHBondContact O-OG 3.04Å; N259-S263 PolarHBondContact OD1-OG 3.49Å; I260-S263 PolarHBondContact O-N 3.2Å; E261-S263 VanDerWaalsContact C-N 3.34Å; S263-D266 PolarHBondContact O-N 3.01Å; S263-L267 WeakPolarHBondContact O-CB 3.45Å; S263-L267 PolarHBondContact O-N 2.95Å
264V93.9Very high85.3Confident31 Ų31100.4 Ų100.419%0.18852%0.515CS..Hα-helixtrans-68.1-46.9173.4164.70000111.3I260 E261 D266 L267 Q268I260-V264 HydrophobicContact CG1-CG2 4.37Å; I260-V264 WeakPolarHBondContact O-CB 3.29Å; I260-V264 VanDerWaalsContact O-CG2 3.23Å; I260-V264 WeakPolarHBondContact O-CG2 3.47Å; I260-V264 PolarHBondContact O-N 3.32Å; E261-V264 PolarHBondContact O-N 3.15Å; V264-D266 PolarHBondContact O-N 2.9Å; V264-L267 PolarHBondContact O-N 3.48Å; V264-Q268 VanDerWaalsContact O-CD 3.28Å; V264-Q268 PolarHBondContact O-N 2.99Å; V264-Q268 PolarHBondContact O-OE1 3.38Å; V264-Q268 VanDerWaalsContact O-OE1 3.14Å
265K94.6Very high87.3Confident130 Ų13096.7 Ų96.757%0.56551%0.505SS*.Hα-helixtrans-58.7-37.3173.5-75.4166.1179.2160.80111.2E261 K262 Q268 R269E261-K265 WeakPolarHBondContact O-CB 3.2Å; E261-K265 WeakPolarHBondContact O-CG 3.35Å; E261-K265 PolarHBondContact O-N 3.09Å; K262-K265 PolarHBondContact O-N 2.9Å; K265-Q268 PolarHBondContact O-N 3.44Å; K265-R269 WeakPolarHBondContact O-CG 3.47Å; K265-R269 PolarHBondContact O-N 2.99Å; K265-R269 VanDerWaalsContact O-N 3.08Å
266D95.1Very high89.3Confident72 Ų7294.7 Ų94.739%0.38549%0.492SS..Hα-helixtrans-69.4-43.1175.8-153.345000112.8K262 S263 V264 Q268 R269 C270K262-D266 PolarHBondContact O-N 3.44Å; S263-D266 PolarHBondContact O-N 3.01Å; V264-D266 PolarHBondContact O-N 2.9Å; D266-Q268 VanDerWaalsContact C-N 3.25Å; D266-Q268 PolarHBondContact O-N 3.02Å; D266-R269 CarbonylContact O-C 3.47Å; D266-R269 WeakPolarHBondContact O-CA 3.36Å; D266-R269 WeakPolarHBondContact O-CB 3.18Å; D266-R269 PolarHBondContact O-N 3.07Å; D266-R269 IonicContact OD1-CZ 3.43Å; D266-R269 VanDerWaalsContact OD1-CZ 3.27Å; D266-R269 IonicContact OD1-NE 3.98Å; D266-R269 PolarHBondContact OD1-NE 3.39Å; D266-R269 IonicContact OD1-NH2 2.83Å; D266-R269 PolarHBondContact OD1-NH2 3.41Å; D266-C270 PolarHBondContact O-N 2.72Å; D266-C270 PolarHBondContact O-SG 3.28Å; D266-C270 VanDerWaalsContact O-SG 3.38Å
267L96.5Very high91.1Very high114 Ų11494.8 Ų94.860%0.59749%0.493SS*.Hα-helixtrans-56.9-39.3172.7179.960.9000111.8S263 V264 C270 T271S263-L267 WeakPolarHBondContact O-CB 3.45Å; S263-L267 PolarHBondContact O-N 2.95Å; V264-L267 PolarHBondContact O-N 3.48Å; L267-C270 CarbonylContact O-C 3.58Å; L267-C270 WeakPolarHBondContact O-CB 3.47Å; L267-C270 PolarHBondContact O-N 2.75Å; L267-T271 PolarHBondContact O-N 2.93Å; L267-T271 PolarHBondContact O-OG1 3.42Å
268Q96.4Very high92.9Very high109 Ų109100.6 Ų100.651%0.50950%0.501SS..Hα-helixtrans-66.9-38.3174.5-75.8139.62.700112.6V264 K265 D266 T271 V272V264-Q268 VanDerWaalsContact O-CD 3.28Å; V264-Q268 PolarHBondContact O-N 2.99Å; V264-Q268 PolarHBondContact O-OE1 3.38Å; V264-Q268 VanDerWaalsContact O-OE1 3.14Å; K265-Q268 PolarHBondContact O-N 3.44Å; D266-Q268 VanDerWaalsContact C-N 3.25Å; D266-Q268 PolarHBondContact O-N 3.02Å; Q268-T271 WeakPolarHBondContact O-CB 3.26Å; Q268-T271 PolarHBondContact O-N 2.91Å; Q268-V272 PolarHBondContact O-N 3.06Å; Q268-V272 VanDerWaalsContact O-N 3.08Å
269R97.3Very high94.4Very high161 Ų16198.4 Ų98.461%0.60849%0.485SS*.Hα-helixtrans-61.1-43.5169.2-67.2-170.3-62.9-157.65.1111.3K265 D266 T271 V272 S273K265-R269 WeakPolarHBondContact O-CG 3.47Å; K265-R269 PolarHBondContact O-N 2.99Å; K265-R269 VanDerWaalsContact O-N 3.08Å; D266-R269 CarbonylContact O-C 3.47Å; D266-R269 WeakPolarHBondContact O-CA 3.36Å; D266-R269 WeakPolarHBondContact O-CB 3.18Å; D266-R269 PolarHBondContact O-N 3.07Å; D266-R269 IonicContact OD1-CZ 3.43Å; D266-R269 VanDerWaalsContact OD1-CZ 3.27Å; D266-R269 IonicContact OD1-NE 3.98Å; D266-R269 PolarHBondContact OD1-NE 3.39Å; D266-R269 IonicContact OD1-NH2 2.83Å; D266-R269 PolarHBondContact OD1-NH2 3.41Å; R269-T271 VanDerWaalsContact C-N 3.34Å; R269-T271 PolarHBondContact O-N 3.4Å; R269-V272 PolarHBondContact O-N 3.31Å; R269-S273 WeakPolarHBondContact O-CB 3.44Å; R269-S273 PolarHBondContact O-N 3.33Å; R269-S273 PolarHBondContact O-OG 2.91Å
270C97.5Very high95.6Very high58 Ų5896.1 Ų96.139%0.39247%0.471SS..Hα-helixtrans-60.1-41.1173.3-65.40000112D266 L267 V272 S273 L274D266-C270 PolarHBondContact O-N 2.72Å; D266-C270 PolarHBondContact O-SG 3.28Å; D266-C270 VanDerWaalsContact O-SG 3.38Å; L267-C270 CarbonylContact O-C 3.58Å; L267-C270 WeakPolarHBondContact O-CB 3.47Å; L267-C270 PolarHBondContact O-N 2.75Å; C270-V272 PolarHBondContact O-N 3.18Å; C270-S273 PolarHBondContact O-N 3.2Å; C270-L274 WeakPolarHBondContact O-CB 3.45Å; C270-L274 VanDerWaalsContact O-CG 3.22Å; C270-L274 WeakPolarHBondContact O-CG 3.45Å; C270-L274 PolarHBondContact O-N 3.36Å
271T97.7Very high96.1Very high76 Ų7698.6 Ų98.647%0.46648%0.484SS..Hα-helixtrans-61.4-42.8177-54.60000112.3L267 Q268 R269 T275L267-T271 PolarHBondContact O-N 2.93Å; L267-T271 PolarHBondContact O-OG1 3.42Å; Q268-T271 WeakPolarHBondContact O-CB 3.26Å; Q268-T271 PolarHBondContact O-N 2.91Å; R269-T271 VanDerWaalsContact C-N 3.34Å; R269-T271 PolarHBondContact O-N 3.4Å; T271-T275 PolarHBondContact O-N 3.37Å; T271-T275 VanDerWaalsContact O-N 3.09Å; T271-T275 PolarHBondContact O-OG1 3.07Å
272V98.1Very high96.6Very high105 Ų105101.4 Ų101.464%0.63650%0.495SS*.Hα-helixtrans-66.7-46.2174.9176.40000110.8Q268 R269 C270 L274 T275 R276Q268-V272 PolarHBondContact O-N 3.06Å; Q268-V272 VanDerWaalsContact O-N 3.08Å; R269-V272 PolarHBondContact O-N 3.31Å; C270-V272 PolarHBondContact O-N 3.18Å; V272-L274 PolarHBondContact O-N 3.11Å; V272-T275 WeakPolarHBondContact O-CB 3.08Å; V272-T275 PolarHBondContact O-N 2.92Å; V272-T275 VanDerWaalsContact O-N 3.11Å; V272-R276 PolarHBondContact O-N 2.9Å
273S98.1Very high97Very high54 Ų5499.4 Ų99.438%0.37849%0.488SS..Hα-helixtrans-61.1-43.3177.5-670000112.8R269 C270 T275 R276 Y277R269-S273 WeakPolarHBondContact O-CB 3.44Å; R269-S273 PolarHBondContact O-N 3.33Å; R269-S273 PolarHBondContact O-OG 2.91Å; C270-S273 PolarHBondContact O-N 3.2Å; S273-T275 VanDerWaalsContact C-N 3.28Å; S273-T275 PolarHBondContact O-N 2.94Å; S273-R276 WeakPolarHBondContact O-CB 3.24Å; S273-R276 PolarHBondContact O-N 3.33Å; S273-Y277 WeakPolarHBondContact O-CD2 3.44Å; S273-Y277 PolarHBondContact O-N 3.3Å
274L97.7Very high97.3Very high84 Ų84101.5 Ų101.544%0.4449%0.492SS..Hα-helixtrans-61.1-37.1173.6-74.2168.1000111.8C270 V272 Y277 R278C270-L274 WeakPolarHBondContact O-CB 3.45Å; C270-L274 VanDerWaalsContact O-CG 3.22Å; C270-L274 WeakPolarHBondContact O-CG 3.45Å; C270-L274 PolarHBondContact O-N 3.36Å; V272-L274 PolarHBondContact O-N 3.11Å; L274-Y277 PolarHBondContact O-N 3.31Å; L274-R278 VanDerWaalsContact O-CG 3.27Å; L274-R278 WeakPolarHBondContact O-CG 3.45Å; L274-R278 PolarHBondContact O-N 2.81Å
275T98.2Very high97.5Very high70 Ų70104 Ų10443%0.42951%0.507SS..Hα-helixtrans-66.1-41.3174.8-56.60000111.2T271 V272 S273 R278 V279T271-T275 PolarHBondContact O-N 3.37Å; T271-T275 VanDerWaalsContact O-N 3.09Å; T271-T275 PolarHBondContact O-OG1 3.07Å; V272-T275 WeakPolarHBondContact O-CB 3.08Å; V272-T275 PolarHBondContact O-N 2.92Å; V272-T275 VanDerWaalsContact O-N 3.11Å; S273-T275 VanDerWaalsContact C-N 3.28Å; S273-T275 PolarHBondContact O-N 2.94Å; T275-R278 PolarHBondContact O-N 3.26Å; T275-V279 PolarHBondContact O-N 3.39Å
276R98.4Very high97.7Very high149 Ų149102 Ų10256%0.56250%0.502SS*.Hα-helixtrans-62.9-44.7171.6-179.6176.5175-86.6-7.3112.5V272 S273 R278 V279 M280V272-R276 PolarHBondContact O-N 2.9Å; S273-R276 WeakPolarHBondContact O-CB 3.24Å; S273-R276 PolarHBondContact O-N 3.33Å; R276-R278 VanDerWaalsContact C-N 3.33Å; R276-R278 PolarHBondContact O-N 2.85Å; R276-V279 WeakPolarHBondContact O-CB 3.44Å; R276-V279 PolarHBondContact O-N 2.99Å; R276-V279 VanDerWaalsContact O-N 3.1Å; R276-M280 HydrophobicContact CG-SD 4.36Å; R276-M280 PolarHBondContact NH1-SD 3.28Å; R276-M280 PolarHBondContact O-N 3.33Å
277Y98.2Very high97.8Very high125 Ų125100.3 Ų100.349%0.4950%0.496SS..Hα-helixtrans-64.8-35.2179-66.5-52.8000112.6S273 L274 V279 M280 I281S273-Y277 WeakPolarHBondContact O-CD2 3.44Å; S273-Y277 PolarHBondContact O-N 3.3Å; L274-Y277 PolarHBondContact O-N 3.31Å; Y277-V279 VanDerWaalsContact C-N 3.25Å; Y277-V279 PolarHBondContact O-N 3.39Å; Y277-M280 HydrophobicContact CD1-SD 4.02Å; Y277-M280 HydrophobicContact CE1-SD 4.4Å; Y277-M280 PolarHBondContact O-N 3.1Å; Y277-I281 VanDerWaalsContact O-CG1 3.28Å; Y277-I281 WeakPolarHBondContact O-CG1 3.48Å; Y277-I281 PolarHBondContact O-N 3.03Å
278R98.1Very high97.9Very high167 Ų16797.1 Ų97.163%0.6348%0.484SS*.Hα-helixtrans-60.2-33.4171.5-73.7165.4179.6163.8-3.4112.9L274 T275 R276 K282L274-R278 VanDerWaalsContact O-CG 3.27Å; L274-R278 WeakPolarHBondContact O-CG 3.45Å; L274-R278 PolarHBondContact O-N 2.81Å; T275-R278 PolarHBondContact O-N 3.26Å; R276-R278 VanDerWaalsContact C-N 3.33Å; R276-R278 PolarHBondContact O-N 2.85Å; R278-K282 WeakPolarHBondContact O-CG 3.37Å
279V98.3Very high98Very high72 Ų7295.1 Ų95.144%0.43648%0.478SS..Hα-helixtrans-73.8-50.5174.6176.80000110.2T275 R276 Y277 I281 K282 E283T275-V279 PolarHBondContact O-N 3.39Å; R276-V279 WeakPolarHBondContact O-CB 3.44Å; R276-V279 PolarHBondContact O-N 2.99Å; R276-V279 VanDerWaalsContact O-N 3.1Å; Y277-V279 VanDerWaalsContact C-N 3.25Å; Y277-V279 PolarHBondContact O-N 3.39Å; V279-I281 VanDerWaalsContact C-N 3.26Å; V279-I281 PolarHBondContact O-N 3.45Å; V279-K282 WeakPolarHBondContact O-CA 3.29Å; V279-K282 WeakPolarHBondContact O-CB 3.3Å; V279-K282 PolarHBondContact O-N 3.48Å; V279-E283 HydrophobicContact CG1-CG 4.18Å; V279-E283 WeakPolarHBondContact O-CG 3.37Å; V279-E283 PolarHBondContact O-N 3.3Å
280M97.9Very high98Very high76 Ų7694.3 Ų94.337%0.37448%0.479SS..Hα-helixtrans-55.5-37.7178.4-69.1179.363.700113.6R276 Y277 E283 E284R276-M280 HydrophobicContact CG-SD 4.36Å; R276-M280 PolarHBondContact NH1-SD 3.28Å; R276-M280 PolarHBondContact O-N 3.33Å; Y277-M280 HydrophobicContact CD1-SD 4.02Å; Y277-M280 HydrophobicContact CE1-SD 4.4Å; Y277-M280 PolarHBondContact O-N 3.1Å; M280-E283 PolarHBondContact O-N 3.41Å; M280-E284 PolarHBondContact O-N 2.9Å
281I97.4Very high98Very high114 Ų11497 Ų9759%0.58548%0.484SS*.Hα-helixtrans-66.2-39.7177.1-70.2165.2000111Y277 V279 V285Y277-I281 VanDerWaalsContact O-CG1 3.28Å; Y277-I281 WeakPolarHBondContact O-CG1 3.48Å; Y277-I281 PolarHBondContact O-N 3.03Å; V279-I281 VanDerWaalsContact C-N 3.26Å; V279-I281 PolarHBondContact O-N 3.45Å; I281-V285 WeakPolarHBondContact O-CB 3.3Å; I281-V285 VanDerWaalsContact O-CG2 3.26Å; I281-V285 WeakPolarHBondContact O-CG2 3.38Å; I281-V285 PolarHBondContact O-N 3.4Å
282K97.8Very high98Very high148 Ų14897.2 Ų97.264%0.64348%0.482SS*.Hα-helixtrans-64.5-47.3173.6-69.3179.3175.9-166.20111.1R278 V279 E284 V285 D286R278-K282 WeakPolarHBondContact O-CG 3.37Å; V279-K282 WeakPolarHBondContact O-CA 3.29Å; V279-K282 WeakPolarHBondContact O-CB 3.3Å; V279-K282 PolarHBondContact O-N 3.48Å; K282-E284 VanDerWaalsContact C-N 3.34Å; K282-E284 PolarHBondContact O-N 3.15Å; K282-V285 PolarHBondContact O-N 2.95Å; K282-D286 WeakPolarHBondContact O-CB 3.5Å; K282-D286 PolarHBondContact O-N 2.9Å
283E98.1Very high98Very high117 Ų11799.4 Ų99.455%0.54748%0.483SS..Hα-helixtrans-58.3-42.3179.7-68.7170.8153.700112.2V279 M280 S287V279-E283 HydrophobicContact CG1-CG 4.18Å; V279-E283 WeakPolarHBondContact O-CG 3.37Å; V279-E283 PolarHBondContact O-N 3.3Å; M280-E283 PolarHBondContact O-N 3.41Å; E283-S287 WeakPolarHBondContact O-CB 3.44Å; E283-S287 PolarHBondContact O-N 3.34Å
284E97.5Very high98Very high99 Ų9999.4 Ų99.446%0.46349%0.486SS..Hα-helixtrans-76.7-28.8178.4-166.256.5-125.300113.2M280 K282 S287 S288 K291M280-E284 PolarHBondContact O-N 2.9Å; K282-E284 VanDerWaalsContact C-N 3.34Å; K282-E284 PolarHBondContact O-N 3.15Å; E284-S287 WeakPolarHBondContact O-CB 3.44Å; E284-S287 PolarHBondContact OE1-OG 3.48Å; E284-S288 VanDerWaalsContact O-CB 3.3Å; E284-S288 WeakPolarHBondContact O-CB 3.5Å; E284-S288 PolarHBondContact O-N 3Å; E284-S288 PolarHBondContact O-OG 3.1Å; E284-K291 IonicContact OE1-NZ 3.96Å; E284-K291 PolarHBondContact OE1-NZ 3.06Å
285V97.8Very high98Very high83 Ų8397.9 Ų97.950%0.50349%0.486SS..Hα-helixtrans-67.2-47169.61680000110.5I281 K282 S287 S288 V289I281-V285 WeakPolarHBondContact O-CB 3.3Å; I281-V285 VanDerWaalsContact O-CG2 3.26Å; I281-V285 WeakPolarHBondContact O-CG2 3.38Å; I281-V285 PolarHBondContact O-N 3.4Å; K282-V285 PolarHBondContact O-N 2.95Å; V285-S287 VanDerWaalsContact C-N 3.27Å; V285-S287 PolarHBondContact O-N 3.26Å; V285-S288 WeakPolarHBondContact O-CB 3.3Å; V285-S288 PolarHBondContact O-N 3.08Å; V285-S288 VanDerWaalsContact O-N 3.11Å; V285-V289 WeakPolarHBondContact O-CG2 3.31Å; V285-V289 PolarHBondContact O-N 3.39Å
286D98.4Very high98Very high89 Ų8999.3 Ų99.348%0.47649%0.486SS..Hα-helixtrans-62.8-34.7175.2-71.9-27.1000112.1K282 K290K282-D286 WeakPolarHBondContact O-CB 3.5Å; K282-D286 PolarHBondContact O-N 2.9Å; D286-K290 WeakPolarHBondContact O-CD 3.4Å; D286-K290 WeakPolarHBondContact O-CE 3.24Å; D286-K290 WeakPolarHBondContact O-CG 3.43Å; D286-K290 PolarHBondContact O-N 2.76Å
287S98.3Very high98Very high37 Ų3794.6 Ų94.626%0.25948%0.479SS..Hα-helixtrans-63.9-46.7171.2-1750000111E283 E284 V285 K290 K291E283-S287 WeakPolarHBondContact O-CB 3.44Å; E283-S287 PolarHBondContact O-N 3.34Å; E284-S287 WeakPolarHBondContact O-CB 3.44Å; E284-S287 PolarHBondContact OE1-OG 3.48Å; V285-S287 VanDerWaalsContact C-N 3.27Å; V285-S287 PolarHBondContact O-N 3.26Å; S287-K290 WeakPolarHBondContact O-CB 3.36Å; S287-K290 PolarHBondContact O-N 3.11Å; S287-K291 VanDerWaalsContact O-CG 3.31Å; S287-K291 WeakPolarHBondContact O-CG 3.49Å; S287-K291 PolarHBondContact O-N 3.37Å; S287-K291 VanDerWaalsContact OG-CE 3.24Å; S287-K291 WeakPolarHBondContact OG-CE 3.26Å; S287-K291 PolarHBondContact OG-NZ 3.19Å
288S98.1Very high97.9Very high47 Ų4795.5 Ų95.533%0.32949%0.488SS..Hα-helixtrans-64.1-41.8178.1-61.20000112.7E284 V285 K290 K291 I292E284-S288 VanDerWaalsContact O-CB 3.3Å; E284-S288 WeakPolarHBondContact O-CB 3.5Å; E284-S288 PolarHBondContact O-N 3Å; E284-S288 PolarHBondContact O-OG 3.1Å; V285-S288 WeakPolarHBondContact O-CB 3.3Å; V285-S288 PolarHBondContact O-N 3.08Å; V285-S288 VanDerWaalsContact O-N 3.11Å; S288-K290 VanDerWaalsContact C-N 3.28Å; S288-K290 PolarHBondContact O-N 2.84Å; S288-K291 PolarHBondContact O-N 2.87Å; S288-I292 VanDerWaalsContact O-CG1 3.3Å; S288-I292 WeakPolarHBondContact O-CG1 3.18Å; S288-I292 PolarHBondContact O-N 2.91Å
289V98.1Very high97.9Very high66 Ų6690.1 Ų90.140%0.447%0.471SS..Hα-helixtrans-61.1-37.2173.4172.20000111.6V285 K293V285-V289 WeakPolarHBondContact O-CG2 3.31Å; V285-V289 PolarHBondContact O-N 3.39Å; V289-K293 HydrophobicContact CG1-CD 4.37Å; V289-K293 WeakPolarHBondContact O-CB 3.45Å; V289-K293 WeakPolarHBondContact O-CG 3.46Å; V289-K293 PolarHBondContact O-N 3.43Å; V289-K293 VanDerWaalsContact O-N 3.1Å
290K98.4Very high97.8Very high144 Ų14492.1 Ų92.163%0.62648%0.476SS*.Hα-helixtrans-68.9-41.6174.5-68.4158.6-166.5161.40111.9D286 S287 S288 K293 A294D286-K290 WeakPolarHBondContact O-CD 3.4Å; D286-K290 WeakPolarHBondContact O-CE 3.24Å; D286-K290 WeakPolarHBondContact O-CG 3.43Å; D286-K290 PolarHBondContact O-N 2.76Å; S287-K290 WeakPolarHBondContact O-CB 3.36Å; S287-K290 PolarHBondContact O-N 3.11Å; S288-K290 VanDerWaalsContact C-N 3.28Å; S288-K290 PolarHBondContact O-N 2.84Å; K290-K293 PolarHBondContact O-N 2.96Å; K290-A294 WeakPolarHBondContact O-CB 3.28Å; K290-A294 PolarHBondContact O-N 3.36Å
291K97.6Very high97.8Very high115 Ų11592.7 Ų92.750%0.548%0.48SS..Hα-helixtrans-60.7-47175.5-67.8164.7-169.7168.20111.5E284 S287 S288 A294 A295E284-K291 IonicContact OE1-NZ 3.96Å; E284-K291 PolarHBondContact OE1-NZ 3.06Å; S287-K291 VanDerWaalsContact O-CG 3.31Å; S287-K291 WeakPolarHBondContact O-CG 3.49Å; S287-K291 PolarHBondContact O-N 3.37Å; S287-K291 VanDerWaalsContact OG-CE 3.24Å; S287-K291 WeakPolarHBondContact OG-CE 3.26Å; S287-K291 PolarHBondContact OG-NZ 3.19Å; S288-K291 PolarHBondContact O-N 2.87Å; K291-A294 PolarHBondContact O-N 3.21Å; K291-A295 PolarHBondContact O-N 2.64Å
292I98Very high97.8Very high80 Ų8091 Ų9141%0.4148%0.478SS..Hα-helixtrans-59.1-50.4176.6-68.1164.1000110.6S288 A294 A295 F296S288-I292 VanDerWaalsContact O-CG1 3.3Å; S288-I292 WeakPolarHBondContact O-CG1 3.18Å; S288-I292 PolarHBondContact O-N 2.91Å; I292-A294 VanDerWaalsContact C-N 3.28Å; I292-A294 PolarHBondContact O-N 3.37Å; I292-A295 PolarHBondContact O-N 3.18Å; I292-F296 HydrophobicContact CG2-CD2 3.94Å; I292-F296 HydrophobicContact CG2-CE2 4.13Å; I292-F296 WeakPolarHBondContact O-CD2 3.49Å; I292-F296 PolarHBondContact O-N 3.21Å; I292-F296 VanDerWaalsContact O-N 3.1Å
293K98.1Very high97.7Very high151 Ų15187.6 Ų87.666%0.65747%0.466SS*.Hα-helixtrans-62.2-33.6178.7-73.9-178177.9-171.50113.2V289 K290 A297V289-K293 HydrophobicContact CG1-CD 4.37Å; V289-K293 WeakPolarHBondContact O-CB 3.45Å; V289-K293 WeakPolarHBondContact O-CG 3.46Å; V289-K293 PolarHBondContact O-N 3.43Å; V289-K293 VanDerWaalsContact O-N 3.1Å; K290-K293 PolarHBondContact O-N 2.96Å; K293-A297 WeakPolarHBondContact O-CB 3.23Å; K293-A297 PolarHBondContact O-N 2.65Å
294A98.2Very high97.7Very high55 Ų5585.3 Ų85.346%0.45546%0.457SS..Hα-helixtrans-68.6-49.3174.400000111.7K290 K291 I292 F296 A297 E298K290-A294 WeakPolarHBondContact O-CB 3.28Å; K290-A294 PolarHBondContact O-N 3.36Å; K291-A294 PolarHBondContact O-N 3.21Å; I292-A294 VanDerWaalsContact C-N 3.28Å; I292-A294 PolarHBondContact O-N 3.37Å; A294-F296 PolarHBondContact O-N 3.45Å; A294-A297 PolarHBondContact O-N 3.17Å; A294-A297 VanDerWaalsContact O-N 3.15Å; A294-E298 WeakPolarHBondContact O-CB 3.47Å; A294-E298 PolarHBondContact O-N 3.34Å
295A97.6Very high97.8Very high52 Ų5285.9 Ų85.943%0.4346%0.463SS..Hα-helixtrans-60.6-42-178.300000113K291 I292 E298 L299K291-A295 PolarHBondContact O-N 2.64Å; I292-A295 PolarHBondContact O-N 3.18Å; A295-E298 PolarHBondContact O-N 3.17Å; A295-L299 WeakPolarHBondContact O-CB 3.43Å; A295-L299 PolarHBondContact O-N 3.38Å
296F97.4Very high97.8Very high99 Ų9986.6 Ų86.643%0.43446%0.459SS..Hα-helixtrans-71.6-29.8176.2-81-76.6000113.4I292 A294 L299 H300I292-F296 HydrophobicContact CG2-CD2 3.94Å; I292-F296 HydrophobicContact CG2-CE2 4.13Å; I292-F296 WeakPolarHBondContact O-CD2 3.49Å; I292-F296 PolarHBondContact O-N 3.21Å; I292-F296 VanDerWaalsContact O-N 3.1Å; A294-F296 PolarHBondContact O-N 3.45Å; F296-L299 HydrophobicContact CD1-CD2 4.33Å; F296-L299 HydrophobicContact CE1-CD2 4.45Å; F296-H300 VanDerWaalsContact O-CB 3.3Å; F296-H300 WeakPolarHBondContact O-CB 3.45Å; F296-H300 PolarHBondContact O-N 3.45Å
297A98.1Very high97.7Very high50 Ų5087.9 Ų87.941%0.41346%0.462SS..Hα-helixtrans-70.2-38171.800000112K293 A294 H300 N301K293-A297 WeakPolarHBondContact O-CB 3.23Å; K293-A297 PolarHBondContact O-N 2.65Å; A294-A297 PolarHBondContact O-N 3.17Å; A294-A297 VanDerWaalsContact O-N 3.15Å; A297-H300 PolarHBondContact O-N 2.99Å; A297-N301 PolarHBondContact O-N 2.98Å; A297-N301 PolarHBondContact O-ND2 3.19Å; A297-N301 PolarHBondContact O-OD1 2.96Å
298E97.3Very high97.7Very high145 Ų14590.6 Ų90.668%0.67848%0.477SS*.Hα-helixtrans-66.1-44.1175-172.4172.2-178.300111.7A294 A295 H300 N301 C302A294-E298 WeakPolarHBondContact O-CB 3.47Å; A294-E298 PolarHBondContact O-N 3.34Å; A295-E298 PolarHBondContact O-N 3.17Å; E298-H300 PolarHBondContact O-N 2.94Å; E298-N301 PolarHBondContact O-N 2.85Å; E298-C302 WeakPolarHBondContact O-CB 3.21Å; E298-C302 PolarHBondContact O-N 2.88Å
299L96.7Very high97.7Very high54 Ų5490.9 Ų90.928%0.28348%0.479SS..Hα-helixtrans-60.7-43173.3178.360.6000112.2A295 F296 C302 I303 I387A295-L299 WeakPolarHBondContact O-CB 3.43Å; A295-L299 PolarHBondContact O-N 3.38Å; F296-L299 HydrophobicContact CD1-CD2 4.33Å; F296-L299 HydrophobicContact CE1-CD2 4.45Å; L299-C302 PolarHBondContact O-N 3.43Å; L299-I303 HydrophobicContact CD1-CD1 4.32Å; L299-I303 HydrophobicContact CG-CD1 4.26Å; L299-I303 WeakPolarHBondContact O-CG1 3.22Å; L299-I303 PolarHBondContact O-N 3.38Å; L299-I387 HydrophobicContact CD2-CG1 4.48Å
300H96.6Very high97.7Very high113 Ų11389.8 Ų89.852%0.52347%0.471SS..Hα-helixtrans-62.2-44.3176.6179.8-87.6000112.1F296 A297 E298 I303 I304F296-H300 VanDerWaalsContact O-CB 3.3Å; F296-H300 WeakPolarHBondContact O-CB 3.45Å; F296-H300 PolarHBondContact O-N 3.45Å; A297-H300 PolarHBondContact O-N 2.99Å; E298-H300 PolarHBondContact O-N 2.94Å; H300-I303 PolarHBondContact O-N 3.38Å; H300-I304 WeakPolarHBondContact CE1-CD1 3.21Å; H300-I304 PolarHBondContact O-N 3.42Å
301N98.1Very high97.7Very high89 Ų8987.9 Ų87.948%0.47647%0.465SS..Hα-helixtrans-63.1-43.7175-66.1-9.9000111.4A297 E298 I303 I304 D305A297-N301 PolarHBondContact O-N 2.98Å; A297-N301 PolarHBondContact O-ND2 3.19Å; A297-N301 PolarHBondContact O-OD1 2.96Å; E298-N301 PolarHBondContact O-N 2.85Å; N301-I303 VanDerWaalsContact C-N 3.28Å; N301-I303 PolarHBondContact O-N 3.34Å; N301-I304 PolarHBondContact O-N 2.97Å; N301-I304 VanDerWaalsContact O-N 3.11Å; N301-D305 WeakPolarHBondContact O-CB 3.32Å; N301-D305 VanDerWaalsContact O-CG 3.32Å; N301-D305 PolarHBondContact O-N 3.16Å
302C97.6Very high97.7Very high78 Ų7885.4 Ų85.453%0.52747%0.466SS..Hα-helixtrans-59.1-36.9177.9-1770000112.9E298 L299 K306E298-C302 WeakPolarHBondContact O-CB 3.21Å; E298-C302 PolarHBondContact O-N 2.88Å; L299-C302 PolarHBondContact O-N 3.43Å; C302-K306 WeakPolarHBondContact O-CB 3.27Å; C302-K306 PolarHBondContact O-N 2.85Å; C302-K306 VanDerWaalsContact O-N 3.07Å
303I96.5Very high97.6Very high77 Ų7786.6 Ų86.640%0.39547%0.47SS..Hα-helixtrans-65.8-46.6174.2-69165.1000110.7L299 H300 N301 K306 E307 I387L299-I303 HydrophobicContact CD1-CD1 4.32Å; L299-I303 HydrophobicContact CG-CD1 4.26Å; L299-I303 WeakPolarHBondContact O-CG1 3.22Å; L299-I303 PolarHBondContact O-N 3.38Å; H300-I303 PolarHBondContact O-N 3.38Å; N301-I303 VanDerWaalsContact C-N 3.28Å; N301-I303 PolarHBondContact O-N 3.34Å; I303-K306 PolarHBondContact O-N 2.99Å; I303-E307 PolarHBondContact O-N 3.41Å; I303-I387 HydrophobicContact CD1-CD1 4.43Å
304I98Very high97.6Very high69 Ų6982.4 Ų82.435%0.35445%0.454SS..Hα-helixtrans-63.3-46.4177.4-69.1172.7000111.4H300 N301 K306 E307 V308H300-I304 WeakPolarHBondContact CE1-CD1 3.21Å; H300-I304 PolarHBondContact O-N 3.42Å; N301-I304 PolarHBondContact O-N 2.97Å; N301-I304 VanDerWaalsContact O-N 3.11Å; I304-K306 PolarHBondContact O-N 3.27Å; I304-E307 WeakPolarHBondContact O-CB 3.47Å; I304-E307 PolarHBondContact O-N 3.1Å; I304-E307 VanDerWaalsContact O-N 3.15Å; I304-V308 HydrophobicContact CG2-CG2 4.41Å; I304-V308 WeakPolarHBondContact O-CG2 3.03Å; I304-V308 PolarHBondContact O-N 3.39Å
305D98.3Very high97.5Very high111 Ų11184 Ų8459%0.59446%0.455SS*.Hα-helixtrans-60-36.8178.4-69.9-29.3000110.9N301 S309N301-D305 WeakPolarHBondContact O-CB 3.32Å; N301-D305 VanDerWaalsContact O-CG 3.32Å; N301-D305 PolarHBondContact O-N 3.16Å; D305-S309 VanDerWaalsContact O-CB 3.26Å; D305-S309 WeakPolarHBondContact O-CB 3.45Å; D305-S309 PolarHBondContact O-N 3.38Å
306K97.6Very high97.5Very high98 Ų9886.6 Ų86.643%0.42646%0.456SS..Hα-helixtrans-75.2-34.9175.4-17353-171.5154.20113C302 I303 I304 S309 L310 E313C302-K306 WeakPolarHBondContact O-CB 3.27Å; C302-K306 PolarHBondContact O-N 2.85Å; C302-K306 VanDerWaalsContact O-N 3.07Å; I303-K306 PolarHBondContact O-N 2.99Å; I304-K306 PolarHBondContact O-N 3.27Å; K306-S309 PolarHBondContact NZ-OG 2.95Å; K306-S309 PolarHBondContact O-N 3.36Å; K306-L310 HydrophobicContact CD-CD1 4.31Å; K306-L310 HydrophobicContact CD-CG 4.16Å; K306-L310 HydrophobicContact CG-CD1 4.04Å; K306-L310 HydrophobicContact CG-CG 4.42Å; K306-L310 WeakPolarHBondContact O-CB 3.38Å; K306-L310 WeakPolarHBondContact O-CD1 3.47Å; K306-L310 VanDerWaalsContact O-CG 3.24Å; K306-L310 WeakPolarHBondContact O-CG 3.5Å; K306-L310 PolarHBondContact O-N 3.49Å; K306-E313 IonicContact NZ-OE2 3.57Å
307E97.2Very high97.4Very high116 Ų11684.4 Ų84.454%0.54245%0.451SS..Hα-helixtrans-59.5-52.4171.7-179.1179.8-173.400111I303 I304 S309 L310 M311I303-E307 PolarHBondContact O-N 3.41Å; I304-E307 WeakPolarHBondContact O-CB 3.47Å; I304-E307 PolarHBondContact O-N 3.1Å; I304-E307 VanDerWaalsContact O-N 3.15Å; E307-S309 VanDerWaalsContact C-N 3.32Å; E307-S309 PolarHBondContact O-N 3.37Å; E307-L310 PolarHBondContact O-N 3.36Å; E307-L310 VanDerWaalsContact O-N 3.09Å; E307-M311 WeakPolarHBondContact O-CG 3.42Å; E307-M311 PolarHBondContact O-N 3.21Å
308V98.6Very high97.3Very high93 Ų9388 Ų8856%0.56446%0.457SS*.Hα-helixtrans-59.6-42.2176.61740000111.3I304 L310 M311 A312I304-V308 HydrophobicContact CG2-CG2 4.41Å; I304-V308 WeakPolarHBondContact O-CG2 3.03Å; I304-V308 PolarHBondContact O-N 3.39Å; V308-L310 VanDerWaalsContact C-N 3.34Å; V308-L310 PolarHBondContact O-N 2.83Å; V308-M311 PolarHBondContact O-N 2.92Å; V308-A312 PolarHBondContact O-N 3.34Å; V308-A312 VanDerWaalsContact O-N 3.07Å
309S98.4Very high97.3Very high53 Ų5387.9 Ų87.937%0.37146%0.456SS..Hα-helixtrans-60.1-39.9174.2164.50000113D305 K306 E307 E313D305-S309 VanDerWaalsContact O-CB 3.26Å; D305-S309 WeakPolarHBondContact O-CB 3.45Å; D305-S309 PolarHBondContact O-N 3.38Å; K306-S309 PolarHBondContact NZ-OG 2.95Å; K306-S309 PolarHBondContact O-N 3.36Å; E307-S309 VanDerWaalsContact C-N 3.32Å; E307-S309 PolarHBondContact O-N 3.37Å; S309-E313 VanDerWaalsContact O-CB 3.3Å; S309-E313 WeakPolarHBondContact O-CB 3.4Å; S309-E313 PolarHBondContact O-N 2.93Å
310L97.6Very high97.3Very high43 Ų4389.5 Ų89.523%0.22546%0.462CS..Hα-helixtrans-72.8-34.5179.6-75.3163.5000112.4K306 E307 V308 E313 M314 F376K306-L310 HydrophobicContact CD-CD1 4.31Å; K306-L310 HydrophobicContact CD-CG 4.16Å; K306-L310 HydrophobicContact CG-CD1 4.04Å; K306-L310 HydrophobicContact CG-CG 4.42Å; K306-L310 WeakPolarHBondContact O-CB 3.38Å; K306-L310 WeakPolarHBondContact O-CD1 3.47Å; K306-L310 VanDerWaalsContact O-CG 3.24Å; K306-L310 WeakPolarHBondContact O-CG 3.5Å; K306-L310 PolarHBondContact O-N 3.49Å; E307-L310 PolarHBondContact O-N 3.36Å; E307-L310 VanDerWaalsContact O-N 3.09Å; V308-L310 VanDerWaalsContact C-N 3.34Å; V308-L310 PolarHBondContact O-N 2.83Å; L310-E313 PolarHBondContact O-N 3.25Å; L310-M314 WeakPolarHBondContact O-CB 3.49Å; L310-M314 PolarHBondContact O-N 3.46Å; L310-F376 HydrophobicContact CD1-CE2 3.83Å; L310-F376 HydrophobicContact CD1-CZ 4.38Å; L310-F376 HydrophobicContact CD2-CE2 4.35Å
311M97.6Very high97.3Very high104 Ų10485.1 Ų85.151%0.51245%0.446SS..Hα-helixtrans-65.4-46.5173.4-66.7-61.59800111.2E307 V308 E313 M314 D315E307-M311 WeakPolarHBondContact O-CG 3.42Å; E307-M311 PolarHBondContact O-N 3.21Å; V308-M311 PolarHBondContact O-N 2.92Å; M311-E313 VanDerWaalsContact C-N 3.32Å; M311-E313 PolarHBondContact O-N 3.48Å; M311-M314 PolarHBondContact O-N 2.8Å; M311-D315 PolarHBondContact O-N 3.08Å
312A98.1Very high97.2Very high63 Ų6386.1 Ų86.152%0.52145%0.449SS..Hα-helixtrans-62.9-36.5175.800000112.8V308 K316V308-A312 PolarHBondContact O-N 3.34Å; V308-A312 VanDerWaalsContact O-N 3.07Å; A312-K316 WeakPolarHBondContact O-CB 3.47Å; A312-K316 PolarHBondContact O-N 3.4Å
313E96.9Very high97.2Very high105 Ų10589 Ų8949%0.49146%0.455SS..Hα-helixtrans-66-39174-173.4167.1-155.600111.8K306 S309 L310 M311 K316 V317K306-E313 IonicContact NZ-OE2 3.57Å; S309-E313 VanDerWaalsContact O-CB 3.3Å; S309-E313 WeakPolarHBondContact O-CB 3.4Å; S309-E313 PolarHBondContact O-N 2.93Å; L310-E313 PolarHBondContact O-N 3.25Å; M311-E313 VanDerWaalsContact C-N 3.32Å; M311-E313 PolarHBondContact O-N 3.48Å; E313-K316 PolarHBondContact O-N 3.09Å; E313-V317 WeakPolarHBondContact O-CG2 3.48Å; E313-V317 PolarHBondContact O-N 3.24Å
314M97.1Very high97.2Very high64 Ų6488.3 Ų88.332%0.31545%0.451SS..Hα-helixtrans-68.5-43.4176.1-171.161.561.100112.8L310 M311 K316 V317 K318 A374 F376L310-M314 WeakPolarHBondContact O-CB 3.49Å; L310-M314 PolarHBondContact O-N 3.46Å; M311-M314 PolarHBondContact O-N 2.8Å; M314-K316 VanDerWaalsContact C-N 3.29Å; M314-K316 PolarHBondContact O-N 3.32Å; M314-V317 PolarHBondContact O-N 2.84Å; M314-K318 WeakPolarHBondContact O-CB 3.45Å; M314-K318 PolarHBondContact O-N 2.92Å; M314-A374 HydrophobicContact SD-CB 3.99Å; M314-F376 HydrophobicContact CE-CB 3.98Å
315D96.5Very high97.2Very high89 Ų8988.6 Ų88.648%0.47645%0.453SS..Hα-helixtrans-63.4-36.6174.8-92.6-42.2000111.5M311 K318 E319M311-D315 PolarHBondContact O-N 3.08Å; D315-K318 WeakPolarHBondContact O-CB 3.39Å; D315-K318 PolarHBondContact O-N 3.45Å; D315-K318 IonicContact OD1-NZ 3.06Å; D315-K318 PolarHBondContact OD1-NZ 2.93Å; D315-E319 PolarHBondContact O-N 3.17Å
316K96.8Very high97.1Very high106 Ų10686.1 Ų86.146%0.46144%0.442SS..Hα-helixtrans-62.8-46.5172.7-174.2-178177.8-90.90112.4A312 E313 M314 K318 E319 E320A312-K316 WeakPolarHBondContact O-CB 3.47Å; A312-K316 PolarHBondContact O-N 3.4Å; E313-K316 PolarHBondContact O-N 3.09Å; M314-K316 VanDerWaalsContact C-N 3.29Å; M314-K316 PolarHBondContact O-N 3.32Å; K316-K318 PolarHBondContact O-N 3.1Å; K316-E319 PolarHBondContact O-N 3.11Å; K316-E319 VanDerWaalsContact O-N 3.15Å; K316-E320 VanDerWaalsContact CE-OE1 3.32Å; K316-E320 WeakPolarHBondContact CE-OE1 3.46Å; K316-E320 HydrophobicContact CG-CG 4.47Å; K316-E320 IonicContact NZ-OE1 2.66Å; K316-E320 PolarHBondContact NZ-OE1 3.49Å; K316-E320 IonicContact NZ-OE2 3.27Å; K316-E320 PolarHBondContact NZ-OE2 2.79Å; K316-E320 WeakPolarHBondContact O-CG 3.3Å; K316-E320 PolarHBondContact O-N 3.47Å
317V96.6Very high97.2Very high53 Ų5384.1 Ų84.132%0.32144%0.444SS..Hα-helixtrans-59.9-37.8176.7166.90000111.3E313 M314 A321 A374E313-V317 WeakPolarHBondContact O-CG2 3.48Å; E313-V317 PolarHBondContact O-N 3.24Å; M314-V317 PolarHBondContact O-N 2.84Å; V317-A321 VanDerWaalsContact O-CB 3.31Å; V317-A321 WeakPolarHBondContact O-CB 3.45Å; V317-A321 PolarHBondContact O-N 2.84Å; V317-A374 HydrophobicContact CG1-CB 4.16Å
318K95.4Very high97.2Very high125 Ų12580 Ų8054%0.54342%0.423SS..Hα-helixtrans-66.6-42.4173.6163.3-176.9146.3-149.50112.4M314 D315 K316 M322M314-K318 WeakPolarHBondContact O-CB 3.45Å; M314-K318 PolarHBondContact O-N 2.92Å; D315-K318 WeakPolarHBondContact O-CB 3.39Å; D315-K318 PolarHBondContact O-N 3.45Å; D315-K318 IonicContact OD1-NZ 3.06Å; D315-K318 PolarHBondContact OD1-NZ 2.93Å; K316-K318 PolarHBondContact O-N 3.1Å; K318-M322 WeakPolarHBondContact O-CB 3.21Å; K318-M322 VanDerWaalsContact O-CG 3.23Å; K318-M322 WeakPolarHBondContact O-CG 3.36Å; K318-M322 PolarHBondContact O-N 2.99Å
319E96.7Very high97.2Very high142 Ų14281.3 Ų81.366%0.66442%0.423SS*.Hα-helixtrans-62.8-49.6175.5-174.5171.2-151.300111.5D315 K316 A321 M322 E323D315-E319 PolarHBondContact O-N 3.17Å; K316-E319 PolarHBondContact O-N 3.11Å; K316-E319 VanDerWaalsContact O-N 3.15Å; E319-A321 PolarHBondContact O-N 3.49Å; E319-M322 PolarHBondContact O-N 3.3Å; E319-E323 PolarHBondContact O-N 3.43Å
320E96.4Very high97.2Very high88 Ų8885 Ų8541%0.41143%0.433SS..Hα-helixtrans-60.6-42.8178.2-70.3179.2152.100111.7K316 E323 I324K316-E320 VanDerWaalsContact CE-OE1 3.32Å; K316-E320 WeakPolarHBondContact CE-OE1 3.46Å; K316-E320 HydrophobicContact CG-CG 4.47Å; K316-E320 IonicContact NZ-OE1 2.66Å; K316-E320 PolarHBondContact NZ-OE1 3.49Å; K316-E320 IonicContact NZ-OE2 3.27Å; K316-E320 PolarHBondContact NZ-OE2 2.79Å; K316-E320 WeakPolarHBondContact O-CG 3.3Å; K316-E320 PolarHBondContact O-N 3.47Å; E320-E323 PolarHBondContact O-N 3.4Å; E320-I324 WeakPolarHBondContact O-CD1 3.23Å; E320-I324 VanDerWaalsContact O-CG1 3.24Å; E320-I324 WeakPolarHBondContact O-CG1 3.4Å; E320-I324 PolarHBondContact O-N 3.33Å
321A96.7Very high97.2Very high21 Ų2186.4 Ų86.417%0.17444%0.437CS..Hα-helixtrans-64.6-39.5175.700000112.8V317 E319 I324 L325 L370V317-A321 VanDerWaalsContact O-CB 3.31Å; V317-A321 WeakPolarHBondContact O-CB 3.45Å; V317-A321 PolarHBondContact O-N 2.84Å; E319-A321 PolarHBondContact O-N 3.49Å; A321-I324 PolarHBondContact O-N 3.21Å; A321-L325 WeakPolarHBondContact O-CG 3.39Å; A321-L325 PolarHBondContact O-N 3.44Å; A321-L325 VanDerWaalsContact O-N 3.09Å; A321-L370 HydrophobicContact CB-CD1 4.04Å; A321-L370 HydrophobicContact CB-CG 4.23Å
322M96.4Very high97.2Very high110 Ų11083.1 Ų83.154%0.54243%0.426SS..Hα-helixtrans-69.6-35.9176.3-74.3-62.4-59.300112.5K318 E319 T326K318-M322 WeakPolarHBondContact O-CB 3.21Å; K318-M322 VanDerWaalsContact O-CG 3.23Å; K318-M322 WeakPolarHBondContact O-CG 3.36Å; K318-M322 PolarHBondContact O-N 2.99Å; E319-M322 PolarHBondContact O-N 3.3Å; M322-T326 VanDerWaalsContact O-CB 3.29Å; M322-T326 WeakPolarHBondContact O-CB 3.16Å; M322-T326 PolarHBondContact O-N 3.43Å; M322-T326 PolarHBondContact O-OG1 3.04Å
323E97.8Very high97.3Very high139 Ų13985 Ų8565%0.6542%0.424SS*.Hα-helixtrans-62.8-47173.1-176.6175.7-152.200110.9E319 E320 L325 T326 A327E319-E323 PolarHBondContact O-N 3.43Å; E320-E323 PolarHBondContact O-N 3.4Å; E323-L325 PolarHBondContact O-N 3.3Å; E323-T326 PolarHBondContact O-N 2.95Å; E323-T326 VanDerWaalsContact O-N 3.16Å; E323-A327 WeakPolarHBondContact O-CB 3.49Å; E323-A327 PolarHBondContact O-N 3.15Å
324I97.1Very high97.3Very high62 Ų6284.6 Ų84.632%0.31842%0.422SS..Hα-helixtrans-59.2-47.4178.6-68.7162.9000111E320 A321 T326 A327 R328 Y366 L370E320-I324 WeakPolarHBondContact O-CD1 3.23Å; E320-I324 VanDerWaalsContact O-CG1 3.24Å; E320-I324 WeakPolarHBondContact O-CG1 3.4Å; E320-I324 PolarHBondContact O-N 3.33Å; A321-I324 PolarHBondContact O-N 3.21Å; I324-T326 VanDerWaalsContact C-N 3.34Å; I324-T326 PolarHBondContact O-N 3.39Å; I324-A327 PolarHBondContact O-N 2.81Å; I324-R328 VanDerWaalsContact O-CB 3.23Å; I324-R328 WeakPolarHBondContact O-CB 3.34Å; I324-R328 PolarHBondContact O-N 3.43Å; I324-Y366 HydrophobicContact CG2-CE1 3.96Å; I324-L370 HydrophobicContact CB-CD2 4Å; I324-L370 HydrophobicContact CD1-CD1 4.27Å; I324-L370 HydrophobicContact CG2-CD2 3.58Å
325L96.6Very high97.4Very high75 Ų7582 Ų8239%0.39341%0.41SS..Hα-helixtrans-62.6-39.5176-70.2173.6000112A321 E323 R328 Q329 L370A321-L325 WeakPolarHBondContact O-CG 3.39Å; A321-L325 PolarHBondContact O-N 3.44Å; A321-L325 VanDerWaalsContact O-N 3.09Å; E323-L325 PolarHBondContact O-N 3.3Å; L325-R328 PolarHBondContact O-N 3.08Å; L325-Q329 PolarHBondContact O-N 3.16Å; L325-L370 HydrophobicContact CD2-CD2 4.11Å; L325-L370 HydrophobicContact CG-CD2 4Å
326T98.1Very high97.5Very high60 Ų6084.2 Ų84.237%0.36842%0.415SS..Hα-helixtrans-66.7-43.2177.7-59.30000112.2M322 E323 I324 R328 Q329 K330M322-T326 VanDerWaalsContact O-CB 3.29Å; M322-T326 WeakPolarHBondContact O-CB 3.16Å; M322-T326 PolarHBondContact O-N 3.43Å; M322-T326 PolarHBondContact O-OG1 3.04Å; E323-T326 PolarHBondContact O-N 2.95Å; E323-T326 VanDerWaalsContact O-N 3.16Å; I324-T326 VanDerWaalsContact C-N 3.34Å; I324-T326 PolarHBondContact O-N 3.39Å; T326-R328 VanDerWaalsContact C-N 3.28Å; T326-R328 PolarHBondContact O-N 2.66Å; T326-Q329 PolarHBondContact O-N 3.19Å; T326-K330 WeakPolarHBondContact O-CG 3.5Å; T326-K330 PolarHBondContact O-N 2.75Å; T326-K330 VanDerWaalsContact O-N 3.1Å
327A98.3Very high97.6Very high56 Ų5685.6 Ų85.646%0.46342%0.417SS..Hα-helixtrans-63.3-37.6174.700000111.3E323 I324 K330 K331E323-A327 WeakPolarHBondContact O-CB 3.49Å; E323-A327 PolarHBondContact O-N 3.15Å; I324-A327 PolarHBondContact O-N 2.81Å; A327-K330 PolarHBondContact O-N 3.25Å; A327-K331 PolarHBondContact O-N 3.14Å
328R97.6Very high97.7Very high29 Ų2985.4 Ų85.411%0.10941%0.414CS..Hα-helixtrans-71.7-36.7178-171161.8170.670.13.3113.2I324 L325 T326 K331 A332 F360 E363 D367I324-R328 VanDerWaalsContact O-CB 3.23Å; I324-R328 WeakPolarHBondContact O-CB 3.34Å; I324-R328 PolarHBondContact O-N 3.43Å; L325-R328 PolarHBondContact O-N 3.08Å; T326-R328 VanDerWaalsContact C-N 3.28Å; T326-R328 PolarHBondContact O-N 2.66Å; R328-K331 PolarHBondContact O-N 2.91Å; R328-A332 PolarHBondContact O-N 3.06Å; R328-F360 HydrophobicContact CG-CE2 3.81Å; R328-F360 HydrophobicContact CG-CZ 4.39Å; R328-F360 PolarHBondContact NH2-O 3.14Å; R328-F360 WeakPolarHBondContact O-CE2 3.35Å; R328-E363 IonicContact CZ-OE2 2.75Å; R328-E363 IonicContact NH1-OE2 2.64Å; R328-E363 PolarHBondContact NH1-OE2 3.41Å; R328-E363 VanDerWaalsContact NH2-CB 3.31Å; R328-D367 WeakPolarHBondContact CD-OD1 3.5Å; R328-D367 IonicContact CZ-OD1 3.71Å; R328-D367 IonicContact CZ-OD2 3.22Å; R328-D367 VanDerWaalsContact CZ-OD2 3.31Å; R328-D367 IonicContact NE-OD1 2.72Å; R328-D367 PolarHBondContact NE-OD1 3.4Å; R328-D367 IonicContact NE-OD2 2.94Å; R328-D367 PolarHBondContact NE-OD2 3.09Å; R328-D367 IonicContact NH2-OD1 2.61Å; R328-D367 IonicContact NH2-OD2 2.75Å; R328-D367 PolarHBondContact NH2-OD2 3.3Å
329Q98.1Very high97.8Very high121 Ų12182.5 Ų82.557%0.56541%0.407SS*.Hα-helixtrans-61.4-45.6169.8-179.4176.8-25.600111.1L325 T326 K331 A332 E333L325-Q329 PolarHBondContact O-N 3.16Å; T326-Q329 PolarHBondContact O-N 3.19Å; Q329-K331 VanDerWaalsContact C-N 3.31Å; Q329-K331 PolarHBondContact O-N 3.1Å; Q329-A332 WeakPolarHBondContact O-CA 3.48Å; Q329-A332 VanDerWaalsContact O-CB 3.26Å; Q329-A332 WeakPolarHBondContact O-CB 3.02Å; Q329-A332 PolarHBondContact O-N 3.02Å; Q329-E333 HydrophobicContact CG-CG 4.49Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.4Å; Q329-E333 PolarHBondContact NE2-OE1 3.41Å; Q329-E333 WeakPolarHBondContact O-CG 3.34Å; Q329-E333 PolarHBondContact O-N 3.39Å
330K98.6Very high97.9Very high129 Ų12980.9 Ų80.956%0.56140%0.403SS*.Hα-helixtrans-59.3-39.5175.3-69.4167.5-177.6172.20112.5T326 A327 A332 E333 E334T326-K330 WeakPolarHBondContact O-CG 3.5Å; T326-K330 PolarHBondContact O-N 2.75Å; T326-K330 VanDerWaalsContact O-N 3.1Å; A327-K330 PolarHBondContact O-N 3.25Å; K330-A332 VanDerWaalsContact C-N 3.32Å; K330-A332 PolarHBondContact O-N 3.1Å; K330-E333 PolarHBondContact O-N 2.94Å; K330-E334 PolarHBondContact O-N 2.82Å
331K98.1Very high97.9Very high74 Ų7479.5 Ų79.532%0.32240%0.398SS..Hα-helixtrans-61.4-38.2172.3-174.4179.5173.8-169.30111.6A327 R328 Q329 L335 F360 E363A327-K331 PolarHBondContact O-N 3.14Å; R328-K331 PolarHBondContact O-N 2.91Å; Q329-K331 VanDerWaalsContact C-N 3.31Å; Q329-K331 PolarHBondContact O-N 3.1Å; K331-L335 HydrophobicContact CG-CD1 4.15Å; K331-L335 WeakPolarHBondContact O-CB 3.44Å; K331-L335 VanDerWaalsContact O-CG 3.23Å; K331-L335 WeakPolarHBondContact O-CG 3.32Å; K331-L335 PolarHBondContact O-N 2.99Å; K331-F360 HydrophobicContact CB-CD2 4.47Å; K331-F360 HydrophobicContact CB-CE2 4.36Å; K331-F360 HydrophobicContact CD-CD2 3.88Å; K331-F360 HydrophobicContact CD-CE2 4.44Å; K331-F360 HydrophobicContact CG-CD2 3.96Å; K331-F360 HydrophobicContact CG-CE2 4.34Å; K331-E363 IonicContact NZ-OE1 3.88Å; K331-E363 IonicContact NZ-OE2 2.65Å; K331-E363 PolarHBondContact NZ-OE2 2.91Å
332A98.5Very high98Very high34 Ų3479.6 Ų79.628%0.28140%0.399SS..Hα-helixtrans-66.6-41.917500000112.6R328 Q329 K330 K336 F360R328-A332 PolarHBondContact O-N 3.06Å; Q329-A332 WeakPolarHBondContact O-CA 3.48Å; Q329-A332 VanDerWaalsContact O-CB 3.26Å; Q329-A332 WeakPolarHBondContact O-CB 3.02Å; Q329-A332 PolarHBondContact O-N 3.02Å; K330-A332 VanDerWaalsContact C-N 3.32Å; K330-A332 PolarHBondContact O-N 3.1Å; A332-K336 WeakPolarHBondContact O-CB 3.29Å; A332-K336 PolarHBondContact O-N 3.38Å; A332-F360 HydrophobicContact CB-CE1 4.06Å; A332-F360 HydrophobicContact CB-CE2 4.04Å; A332-F360 HydrophobicContact CB-CZ 3.48Å; A332-F360 VanDerWaalsContact CB-CZ 3.48Å
333E98.6Very high98Very high104 Ų10479.7 Ų79.749%0.48641%0.411SS..Hα-helixtrans-65.9-41.7179.1-71.5167.3-178.200111.8Q329 K330 K336 R337Q329-E333 HydrophobicContact CG-CG 4.49Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.4Å; Q329-E333 PolarHBondContact NE2-OE1 3.41Å; Q329-E333 WeakPolarHBondContact O-CG 3.34Å; Q329-E333 PolarHBondContact O-N 3.39Å; K330-E333 PolarHBondContact O-N 2.94Å; E333-K336 WeakPolarHBondContact O-CB 3.13Å; E333-K336 PolarHBondContact O-N 3.21Å; E333-R337 PolarHBondContact O-N 2.99Å
334E98.5Very high98Very high95 Ų9580.6 Ų80.644%0.44442%0.415SS..Hα-helixtrans-69.8-43.7175.2-174.957.7-157.800112.2K330 K336 R337 L338K330-E334 PolarHBondContact O-N 2.82Å; E334-K336 PolarHBondContact O-N 3.14Å; E334-R337 WeakPolarHBondContact O-CA 3.32Å; E334-R337 WeakPolarHBondContact O-CB 3.07Å; E334-R337 PolarHBondContact O-N 3.44Å; E334-L338 HydrophobicContact CG-CD1 4.36Å; E334-L338 WeakPolarHBondContact O-CG 3.09Å; E334-L338 PolarHBondContact O-N 3.29Å
335L98.6Very high98Very high10 Ų1079.7 Ų79.75%0.05241%0.41CS..Hα-helixtrans-59.8-36.2174.7-74.8171.4000112K331 T339 L353 E356 I357 F360K331-L335 HydrophobicContact CG-CD1 4.15Å; K331-L335 WeakPolarHBondContact O-CB 3.44Å; K331-L335 VanDerWaalsContact O-CG 3.23Å; K331-L335 WeakPolarHBondContact O-CG 3.32Å; K331-L335 PolarHBondContact O-N 2.99Å; L335-T339 WeakPolarHBondContact O-CB 3.36Å; L335-T339 PolarHBondContact O-N 3.44Å; L335-T339 PolarHBondContact O-OG1 3.47Å; L335-L353 HydrophobicContact CD2-CD1 3.95Å; L335-E356 HydrophobicContact CD2-CB 3.82Å; L335-I357 HydrophobicContact CB-CG1 4.49Å; L335-I357 HydrophobicContact CD2-CG1 4.26Å; L335-F360 HydrophobicContact CD1-CB 3.65Å; L335-F360 HydrophobicContact CD1-CD1 4.43Å; L335-F360 HydrophobicContact CD1-CD2 4.05Å; L335-F360 HydrophobicContact CD1-CG 3.78Å
336K98.6Very high98.1Very high136 Ų13679.1 Ų79.159%0.59142%0.415SS*.Hα-helixtrans-62.9-49.4169.9-176.6-171.6172-171.40110.9A332 E333 E334 L338 T339 D340A332-K336 WeakPolarHBondContact O-CB 3.29Å; A332-K336 PolarHBondContact O-N 3.38Å; E333-K336 WeakPolarHBondContact O-CB 3.13Å; E333-K336 PolarHBondContact O-N 3.21Å; E334-K336 PolarHBondContact O-N 3.14Å; K336-L338 VanDerWaalsContact C-N 3.26Å; K336-L338 PolarHBondContact O-N 2.95Å; K336-T339 CarbonylContact O-C 3.46Å; K336-T339 WeakPolarHBondContact O-CA 3.18Å; K336-T339 WeakPolarHBondContact O-CB 3.32Å; K336-T339 PolarHBondContact O-N 3.32Å; K336-D340 PolarHBondContact O-N 3.34Å
337R98.4Very high98Very high135 Ų13581.9 Ų81.951%0.50942%0.424SS..Hα-helixtrans-58.2-35179.6-121.9-157.168.571.53.8113.6E333 E334E333-R337 PolarHBondContact O-N 2.99Å; E334-R337 WeakPolarHBondContact O-CA 3.32Å; E334-R337 WeakPolarHBondContact O-CB 3.07Å; E334-R337 PolarHBondContact O-N 3.44Å
338L98.3Very high98Very high48 Ų4886.2 Ų86.225%0.25144%0.437SS..Hα-helixtrans-73.3-37.1172.9-67172.5000111.8E334 K336 L341 A342 M345 L353E334-L338 HydrophobicContact CG-CD1 4.36Å; E334-L338 WeakPolarHBondContact O-CG 3.09Å; E334-L338 PolarHBondContact O-N 3.29Å; K336-L338 VanDerWaalsContact C-N 3.26Å; K336-L338 PolarHBondContact O-N 2.95Å; L338-L341 CarbonylContact O-C 3.59Å; L338-L341 PolarHBondContact O-N 2.72Å; L338-L341 VanDerWaalsContact O-N 3.13Å; L338-A342 PolarHBondContact O-N 3.04Å; L338-M345 HydrophobicContact CB-CE 4.1Å; L338-M345 HydrophobicContact CD2-CE 3.98Å; L338-L353 HydrophobicContact CB-CD1 3.77Å; L338-L353 HydrophobicContact CB-CD2 4.15Å; L338-L353 HydrophobicContact CD1-CD1 4.32Å
339T98.3Very high98Very high65 Ų6590.1 Ų90.140%0.39946%0.456SS..Hα-helixtrans-64-38.8174.6-56.30000112L335 K336 L341 A342 I357L335-T339 WeakPolarHBondContact O-CB 3.36Å; L335-T339 PolarHBondContact O-N 3.44Å; L335-T339 PolarHBondContact O-OG1 3.47Å; K336-T339 CarbonylContact O-C 3.46Å; K336-T339 WeakPolarHBondContact O-CA 3.18Å; K336-T339 WeakPolarHBondContact O-CB 3.32Å; K336-T339 PolarHBondContact O-N 3.32Å; T339-L341 PolarHBondContact O-N 3.21Å; T339-L341 VanDerWaalsContact O-N 3.14Å; T339-A342 WeakPolarHBondContact O-CB 3.15Å; T339-A342 PolarHBondContact O-N 3.36Å; T339-I357 WeakPolarHBondContact OG1-CD1 3.43Å
340D98.1Very high98.1Very high108 Ų10885.9 Ų85.958%0.57844%0.437SS*.THydrogen-bonded Turntrans-62.8-17.9175.2-63.4-30.1000112.5K336K336-D340 PolarHBondContact O-N 3.34Å
341L97.7Very high98Very high59 Ų5982 Ų8231%0.30943%0.429SS..THydrogen-bonded Turntrans-103.91.2175.8-62.1177.8000113.9L338 T339 S343 Q344L338-L341 CarbonylContact O-C 3.59Å; L338-L341 PolarHBondContact O-N 2.72Å; L338-L341 VanDerWaalsContact O-N 3.13Å; T339-L341 PolarHBondContact O-N 3.21Å; T339-L341 VanDerWaalsContact O-N 3.14Å; L341-S343 PolarHBondContact O-N 3.27Å; L341-Q344 PolarHBondContact O-N 3.08Å
342A97.6Very high98Very high22 Ų2283.7 Ų83.718%0.18244%0.438CS..G310 helixtrans-57.9-27.2-169.300000114.8L338 T339 Q344 M345 L350 L353L338-A342 PolarHBondContact O-N 3.04Å; T339-A342 WeakPolarHBondContact O-CB 3.15Å; T339-A342 PolarHBondContact O-N 3.36Å; A342-Q344 PolarHBondContact O-N 2.83Å; A342-M345 PolarHBondContact O-N 3.23Å; A342-L350 HydrophobicContact CB-CD1 3.73Å; A342-L353 HydrophobicContact CB-CD2 4.41Å
343S97.2Very high98.1Very high113 Ų11382.6 Ų82.679%0.7943%0.428SS*.G310 helixtrans-71.3-13.7176.455.60000114.5L341L341-S343 PolarHBondContact O-N 3.27Å
344Q97.3Very high98Very high158 Ų15883.6 Ų83.674%0.73843%0.427SS*.G310 helixtrans-103.3-5.3177.6-59.9173.749.900112.2L341 A342L341-Q344 PolarHBondContact O-N 3.08Å; A342-Q344 PolarHBondContact O-N 2.83Å
345M97.2Very high98Very high43 Ų4381.9 Ų81.921%0.21243%0.429CS..SBendtrans-81.7145.5-179.5-69.6-173.9165.200112L338 A342 Q349 L350 L353L338-M345 HydrophobicContact CB-CE 4.1Å; L338-M345 HydrophobicContact CD2-CE 3.98Å; A342-M345 PolarHBondContact O-N 3.23Å; M345-Q349 HydrophobicContact CB-CB 4.35Å; M345-Q349 HydrophobicContact SD-CB 4.39Å; M345-L350 HydrophobicContact CB-CB 4.37Å; M345-L353 HydrophobicContact CE-CD2 4.17Å; M345-L353 HydrophobicContact SD-CD2 3.8Å
346A98Very high98Very high62 Ų6286.4 Ų86.451%0.51245%0.45SS..  trans-69.4148.1165.300000110.5M348 Q349 L350A346-M348 PolarHBondContact O-N 3.32Å; A346-Q349 PolarHBondContact O-N 2.77Å; A346-L350 PolarHBondContact O-N 2.82Å
347E97.4Very high98Very high118 Ų11882.7 Ų82.755%0.55144%0.436SS*.Hα-helixtrans-54.4-28-173.5-175.858.7-158.400114A351 R354E347-A351 WeakPolarHBondContact O-CB 3.36Å; E347-A351 PolarHBondContact O-N 2.8Å; E347-R354 IonicContact OE1-CZ 3.47Å; E347-R354 IonicContact OE1-NH1 2.67Å; E347-R354 PolarHBondContact OE1-NH1 3.17Å; E347-R354 IonicContact OE1-NH2 3.31Å; E347-R354 PolarHBondContact OE1-NH2 3.03Å; E347-R354 IonicContact OE2-NH1 3.89Å; E347-R354 IonicContact OE2-NH2 3.36Å; E347-R354 PolarHBondContact OE2-NH2 2.97Å
348M97.8Very high98Very high148 Ų14884.1 Ų84.173%0.72945%0.446SS*.Hα-helixtrans-65.9-49.8173.6-174.3171.4-71.800112.6A346 L350 A351 E352A346-M348 PolarHBondContact O-N 3.32Å; M348-L350 VanDerWaalsContact C-N 3.28Å; M348-L350 PolarHBondContact O-N 3.48Å; M348-A351 WeakPolarHBondContact O-CB 3.37Å; M348-A351 PolarHBondContact O-N 2.94Å; M348-E352 WeakPolarHBondContact O-CG 3.49Å; M348-E352 PolarHBondContact O-N 3.35Å
349Q98.1Very high98Very high111 Ų11186.6 Ų86.652%0.51946%0.456SS..Hα-helixtrans-67.1-33.7175.7-66.3-174.5-59.900111.3M345 A346 A351 E352 L353M345-Q349 HydrophobicContact CB-CB 4.35Å; M345-Q349 HydrophobicContact SD-CB 4.39Å; A346-Q349 PolarHBondContact O-N 2.77Å; Q349-A351 VanDerWaalsContact C-N 3.33Å; Q349-E352 PolarHBondContact O-N 3.47Å; Q349-L353 WeakPolarHBondContact O-CB 3.46Å; Q349-L353 PolarHBondContact O-N 3.15Å
350L98.4Very high98Very high31 Ų3185.4 Ų85.416%0.16245%0.445CS..Hα-helixtrans-67.3-34.6175.2-17055.7000111.7A342 M345 A346 M348 R354A342-L350 HydrophobicContact CB-CD1 3.73Å; M345-L350 HydrophobicContact CB-CB 4.37Å; A346-L350 PolarHBondContact O-N 2.82Å; M348-L350 VanDerWaalsContact C-N 3.28Å; M348-L350 PolarHBondContact O-N 3.48Å; L350-R354 WeakPolarHBondContact O-CB 3.24Å; L350-R354 WeakPolarHBondContact O-CD 3.26Å; L350-R354 WeakPolarHBondContact O-CG 3.29Å; L350-R354 PolarHBondContact O-N 3.1Å
351A98.5Very high98Very high47 Ų4783.2 Ų83.239%0.38844%0.436SS..Hα-helixtrans-68.3-39.2171.200000112.7E347 M348 Q349 A355E347-A351 WeakPolarHBondContact O-CB 3.36Å; E347-A351 PolarHBondContact O-N 2.8Å; M348-A351 WeakPolarHBondContact O-CB 3.37Å; M348-A351 PolarHBondContact O-N 2.94Å; Q349-A351 VanDerWaalsContact C-N 3.33Å; A351-A355 PolarHBondContact O-N 3.43Å
352E98.1Very high97.9Very high111 Ų11184.4 Ų84.452%0.51945%0.449SS..Hα-helixtrans-62.8-49.4173.5-70.2171.6156.600111.2M348 Q349 R354 A355 E356M348-E352 WeakPolarHBondContact O-CG 3.49Å; M348-E352 PolarHBondContact O-N 3.35Å; Q349-E352 PolarHBondContact O-N 3.47Å; E352-R354 PolarHBondContact O-N 3.38Å; E352-A355 CarbonylContact O-C 3.58Å; E352-A355 WeakPolarHBondContact O-CA 3.27Å; E352-A355 WeakPolarHBondContact O-CB 3.47Å; E352-A355 PolarHBondContact O-N 2.91Å; E352-E356 PolarHBondContact O-N 3.39Å
353L98.6Very high97.8Very high11 Ų1186 Ų866%0.05845%0.453CS..Hα-helixtrans-58.4-44.3176.1178.760.9000112.3L335 L338 A342 M345 Q349 A355 E356 I357L335-L353 HydrophobicContact CD2-CD1 3.95Å; L338-L353 HydrophobicContact CB-CD1 3.77Å; L338-L353 HydrophobicContact CB-CD2 4.15Å; L338-L353 HydrophobicContact CD1-CD1 4.32Å; A342-L353 HydrophobicContact CB-CD2 4.41Å; M345-L353 HydrophobicContact CE-CD2 4.17Å; M345-L353 HydrophobicContact SD-CD2 3.8Å; Q349-L353 WeakPolarHBondContact O-CB 3.46Å; Q349-L353 PolarHBondContact O-N 3.15Å; L353-A355 VanDerWaalsContact C-N 3.26Å; L353-A355 PolarHBondContact O-N 2.86Å; L353-E356 PolarHBondContact O-N 3.16Å; L353-I357 HydrophobicContact CD1-CD1 3.89Å; L353-I357 HydrophobicContact CD1-CG1 4.16Å; L353-I357 HydrophobicContact CG-CD1 3.87Å; L353-I357 WeakPolarHBondContact O-CB 3.38Å; L353-I357 VanDerWaalsContact O-CG1 3.27Å; L353-I357 WeakPolarHBondContact O-CG1 3.38Å; L353-I357 PolarHBondContact O-N 2.96Å
354R98.4Very high97.7Very high124 Ų12487.1 Ų87.147%0.46844%0.44SS..Hα-helixtrans-59.1-36.9173.5-72.3165.7-168.2150.90.1111.8E347 L350 E352 K358E347-R354 IonicContact OE1-CZ 3.47Å; E347-R354 IonicContact OE1-NH1 2.67Å; E347-R354 PolarHBondContact OE1-NH1 3.17Å; E347-R354 IonicContact OE1-NH2 3.31Å; E347-R354 PolarHBondContact OE1-NH2 3.03Å; E347-R354 IonicContact OE2-NH1 3.89Å; E347-R354 IonicContact OE2-NH2 3.36Å; E347-R354 PolarHBondContact OE2-NH2 2.97Å; L350-R354 WeakPolarHBondContact O-CB 3.24Å; L350-R354 WeakPolarHBondContact O-CD 3.26Å; L350-R354 WeakPolarHBondContact O-CG 3.29Å; L350-R354 PolarHBondContact O-N 3.1Å; E352-R354 PolarHBondContact O-N 3.38Å; R354-K358 WeakPolarHBondContact O-CB 3.38Å; R354-K358 PolarHBondContact O-N 3.1Å; R354-K358 VanDerWaalsContact O-N 3.15Å
355A98.6Very high97.6Very high60 Ų6087.1 Ų87.150%0.49644%0.437SS..Hα-helixtrans-72.3-41.7177.600000112.4A351 E352 L353 K358 H359A351-A355 PolarHBondContact O-N 3.43Å; E352-A355 CarbonylContact O-C 3.58Å; E352-A355 WeakPolarHBondContact O-CA 3.27Å; E352-A355 WeakPolarHBondContact O-CB 3.47Å; E352-A355 PolarHBondContact O-N 2.91Å; L353-A355 VanDerWaalsContact C-N 3.26Å; L353-A355 PolarHBondContact O-N 2.86Å; A355-K358 PolarHBondContact O-N 2.81Å; A355-H359 WeakPolarHBondContact O-CB 3.29Å; A355-H359 PolarHBondContact O-N 3.05Å
356E98.2Very high97.5Very high104 Ų10491.1 Ų91.149%0.48645%0.451SS..Hα-helixtrans-65.1-42.8176.3-70.8-166.5-171.600112.5L335 E352 L353 K358 H359 F360L335-E356 HydrophobicContact CD2-CB 3.82Å; E352-E356 PolarHBondContact O-N 3.39Å; L353-E356 PolarHBondContact O-N 3.16Å; E356-K358 VanDerWaalsContact C-N 3.34Å; E356-K358 PolarHBondContact O-N 3.26Å; E356-H359 PolarHBondContact O-N 2.69Å; E356-F360 WeakPolarHBondContact O-CB 3.27Å; E356-F360 PolarHBondContact O-N 3.19Å
357I98.4Very high97.4Very high58 Ų5890 Ų9030%0.29744%0.436SS..Hα-helixtrans-60.1-45.1173.9-67.5166.3000110.3L335 T339 L353 H359 F360 V361L335-I357 HydrophobicContact CB-CG1 4.49Å; L335-I357 HydrophobicContact CD2-CG1 4.26Å; T339-I357 WeakPolarHBondContact OG1-CD1 3.43Å; L353-I357 HydrophobicContact CD1-CD1 3.89Å; L353-I357 HydrophobicContact CD1-CG1 4.16Å; L353-I357 HydrophobicContact CG-CD1 3.87Å; L353-I357 WeakPolarHBondContact O-CB 3.38Å; L353-I357 VanDerWaalsContact O-CG1 3.27Å; L353-I357 WeakPolarHBondContact O-CG1 3.38Å; L353-I357 PolarHBondContact O-N 2.96Å; I357-H359 VanDerWaalsContact C-N 3.34Å; I357-H359 PolarHBondContact O-N 3.16Å; I357-F360 PolarHBondContact O-N 3.3Å; I357-V361 HydrophobicContact CG2-CG2 4.48Å; I357-V361 WeakPolarHBondContact O-CB 3.21Å; I357-V361 VanDerWaalsContact O-CG2 3.31Å; I357-V361 WeakPolarHBondContact O-CG2 3.24Å; I357-V361 PolarHBondContact O-N 3.47Å
358K98.2Very high97.1Very high165 Ų16589.7 Ų89.772%0.71744%0.435SS*.Hα-helixtrans-60.2-42.8176.3-177.1-179.9178.5-178.50111.9R354 A355 E356 S362R354-K358 WeakPolarHBondContact O-CB 3.38Å; R354-K358 PolarHBondContact O-N 3.1Å; R354-K358 VanDerWaalsContact O-N 3.15Å; A355-K358 PolarHBondContact O-N 2.81Å; E356-K358 VanDerWaalsContact C-N 3.34Å; E356-K358 PolarHBondContact O-N 3.26Å; K358-S362 WeakPolarHBondContact O-CB 3.26Å; K358-S362 PolarHBondContact O-N 2.85Å
359H98Very high96.9Very high100 Ų10087.2 Ų87.246%0.46342%0.422SS..Hα-helixtrans-64.4-49.9176.1176.118.6000111.3A355 E356 I357 V361 S362 E363A355-H359 WeakPolarHBondContact O-CB 3.29Å; A355-H359 PolarHBondContact O-N 3.05Å; E356-H359 PolarHBondContact O-N 2.69Å; I357-H359 VanDerWaalsContact C-N 3.34Å; I357-H359 PolarHBondContact O-N 3.16Å; H359-V361 VanDerWaalsContact C-N 3.3Å; H359-V361 PolarHBondContact O-N 2.86Å; H359-S362 PolarHBondContact O-N 3.38Å; H359-S362 PolarHBondContact O-OG 2.84Å; H359-E363 VanDerWaalsContact CE1-CD 3.47Å; H359-E363 IonicContact CE1-OE1 2.71Å; H359-E363 PolarHBondContact CE1-OE1 3.48Å; H359-E363 IonicContact ND1-OE1 3.67Å; H359-E363 IonicContact NE2-OE1 3.98Å; H359-E363 WeakPolarHBondContact O-CG 3.24Å; H359-E363 PolarHBondContact O-N 3.12Å; H359-E363 VanDerWaalsContact O-N 3.15Å
360F98.1Very high96.7Very high40 Ų4083 Ų8318%0.17540%0.402CS..Hα-helixtrans-54.2-44.6177176-93.3000112.7R328 K331 A332 L335 E356 I357 E363R328-F360 HydrophobicContact CG-CE2 3.81Å; R328-F360 HydrophobicContact CG-CZ 4.39Å; R328-F360 PolarHBondContact NH2-O 3.14Å; R328-F360 WeakPolarHBondContact O-CE2 3.35Å; K331-F360 HydrophobicContact CB-CD2 4.47Å; K331-F360 HydrophobicContact CB-CE2 4.36Å; K331-F360 HydrophobicContact CD-CD2 3.88Å; K331-F360 HydrophobicContact CD-CE2 4.44Å; K331-F360 HydrophobicContact CG-CD2 3.96Å; K331-F360 HydrophobicContact CG-CE2 4.34Å; A332-F360 HydrophobicContact CB-CE1 4.06Å; A332-F360 HydrophobicContact CB-CE2 4.04Å; A332-F360 HydrophobicContact CB-CZ 3.48Å; A332-F360 VanDerWaalsContact CB-CZ 3.48Å; L335-F360 HydrophobicContact CD1-CB 3.65Å; L335-F360 HydrophobicContact CD1-CD1 4.43Å; L335-F360 HydrophobicContact CD1-CD2 4.05Å; L335-F360 HydrophobicContact CD1-CG 3.78Å; E356-F360 WeakPolarHBondContact O-CB 3.27Å; E356-F360 PolarHBondContact O-N 3.19Å; I357-F360 PolarHBondContact O-N 3.3Å; F360-E363 WeakPolarHBondContact CA-OE2 3.44Å; F360-E363 PolarHBondContact O-N 3.29Å
361V97.7Very high96.3Very high63 Ų6384.9 Ų84.938%0.38243%0.429SS..Hα-helixtrans-68.4-35.4177.6172.40000112.1I357 H359 E363 R364I357-V361 HydrophobicContact CG2-CG2 4.48Å; I357-V361 WeakPolarHBondContact O-CB 3.21Å; I357-V361 VanDerWaalsContact O-CG2 3.31Å; I357-V361 WeakPolarHBondContact O-CG2 3.24Å; I357-V361 PolarHBondContact O-N 3.47Å; H359-V361 VanDerWaalsContact C-N 3.3Å; H359-V361 PolarHBondContact O-N 2.86Å; V361-E363 VanDerWaalsContact C-N 3.29Å; V361-E363 PolarHBondContact O-N 3.43Å; V361-R364 WeakPolarHBondContact O-CB 3.31Å; V361-R364 PolarHBondContact O-N 3.46Å
362S96.6Very high95.9Very high83 Ų8386.2 Ų86.258%0.5843%0.426SS*.Hα-helixtrans-66.6-29.2177.473.40000113.5K358 H359 R364K358-S362 WeakPolarHBondContact O-CB 3.26Å; K358-S362 PolarHBondContact O-N 2.85Å; H359-S362 PolarHBondContact O-N 3.38Å; H359-S362 PolarHBondContact O-OG 2.84Å; S362-R364 PolarHBondContact O-N 2.93Å
363E96.1Very high95.3Very high57 Ų5783.9 Ų83.927%0.26643%0.426SS..THydrogen-bonded Turntrans-68.6-9.9178.4-69.6171135.500113.3R328 K331 H359 F360 V361 K365 Y366R328-E363 IonicContact CZ-OE2 2.75Å; R328-E363 IonicContact NH1-OE2 2.64Å; R328-E363 PolarHBondContact NH1-OE2 3.41Å; R328-E363 VanDerWaalsContact NH2-CB 3.31Å; K331-E363 IonicContact NZ-OE1 3.88Å; K331-E363 IonicContact NZ-OE2 2.65Å; K331-E363 PolarHBondContact NZ-OE2 2.91Å; H359-E363 VanDerWaalsContact CE1-CD 3.47Å; H359-E363 IonicContact CE1-OE1 2.71Å; H359-E363 PolarHBondContact CE1-OE1 3.48Å; H359-E363 IonicContact ND1-OE1 3.67Å; H359-E363 IonicContact NE2-OE1 3.98Å; H359-E363 WeakPolarHBondContact O-CG 3.24Å; H359-E363 PolarHBondContact O-N 3.12Å; H359-E363 VanDerWaalsContact O-N 3.15Å; F360-E363 WeakPolarHBondContact CA-OE2 3.44Å; F360-E363 PolarHBondContact O-N 3.29Å; V361-E363 VanDerWaalsContact C-N 3.29Å; V361-E363 PolarHBondContact O-N 3.43Å; E363-K365 PolarHBondContact O-N 2.85Å; E363-Y366 VanDerWaalsContact O-CB 3.27Å; E363-Y366 WeakPolarHBondContact O-CB 3.5Å; E363-Y366 PolarHBondContact O-N 3.14Å
364R94.9Very high94.4Very high136 Ų13686.2 Ų86.251%0.51345%0.447SS..Hα-helixtrans-51.3-35-175.6-175.5-179.6-65.7106.8-1.5114.4V361 S362 Y366 D367 E368V361-R364 WeakPolarHBondContact O-CB 3.31Å; V361-R364 PolarHBondContact O-N 3.46Å; S362-R364 PolarHBondContact O-N 2.93Å; R364-Y366 PolarHBondContact O-N 3.37Å; R364-D367 WeakPolarHBondContact CA-OD2 3.12Å; R364-D367 WeakPolarHBondContact O-CB 3.49Å; R364-D367 PolarHBondContact O-N 2.98Å; R364-D367 VanDerWaalsContact O-N 3.08Å; R364-E368 PolarHBondContact O-N 3.23Å
365K94.3Very high93.9Very high157 Ų15789.4 Ų89.468%0.68346%0.459SS*.Hα-helixtrans-61-29.4178-174.5179.1176.7-174.70112.7E363 E369E363-K365 PolarHBondContact O-N 2.85Å; K365-E369 PolarHBondContact O-N 2.83Å
366Y95.8Very high93.6Very high127 Ų12792.5 Ų92.550%0.49846%0.461SS..Hα-helixtrans-68.6-38.7175.2175.9-98.9000111.5I324 E363 R364 E368 E369 L370I324-Y366 HydrophobicContact CG2-CE1 3.96Å; E363-Y366 VanDerWaalsContact O-CB 3.27Å; E363-Y366 WeakPolarHBondContact O-CB 3.5Å; E363-Y366 PolarHBondContact O-N 3.14Å; R364-Y366 PolarHBondContact O-N 3.37Å; Y366-E368 VanDerWaalsContact C-N 3.31Å; Y366-E368 PolarHBondContact O-N 3.15Å; Y366-E369 PolarHBondContact O-N 2.89Å; Y366-E369 VanDerWaalsContact O-N 3.12Å; Y366-L370 HydrophobicContact CE1-CB 4.46Å; Y366-L370 HydrophobicContact CE1-CD2 4.16Å; Y366-L370 WeakPolarHBondContact O-CB 3.45Å; Y366-L370 PolarHBondContact O-N 3.42Å
367D94.7Very high93.4Very high39 Ų3992.8 Ų92.821%0.20948%0.475CS..Hα-helixtrans-60.6-42178.3-53.6-37.4000111.6R328 R364 E369 L370 G371R328-D367 WeakPolarHBondContact CD-OD1 3.5Å; R328-D367 IonicContact CZ-OD1 3.71Å; R328-D367 IonicContact CZ-OD2 3.22Å; R328-D367 VanDerWaalsContact CZ-OD2 3.31Å; R328-D367 IonicContact NE-OD1 2.72Å; R328-D367 PolarHBondContact NE-OD1 3.4Å; R328-D367 IonicContact NE-OD2 2.94Å; R328-D367 PolarHBondContact NE-OD2 3.09Å; R328-D367 IonicContact NH2-OD1 2.61Å; R328-D367 IonicContact NH2-OD2 2.75Å; R328-D367 PolarHBondContact NH2-OD2 3.3Å; R364-D367 WeakPolarHBondContact CA-OD2 3.12Å; R364-D367 WeakPolarHBondContact O-CB 3.49Å; R364-D367 PolarHBondContact O-N 2.98Å; R364-D367 VanDerWaalsContact O-N 3.08Å; D367-E369 VanDerWaalsContact C-N 3.31Å; D367-E369 PolarHBondContact O-N 2.78Å; D367-L370 PolarHBondContact O-N 2.83Å; D367-G371 PolarHBondContact O-N 3.37Å; D367-G371 VanDerWaalsContact O-N 3.1Å
368E92.8Very high93.1Very high111 Ų11193.4 Ų93.452%0.51948%0.483SS..Hα-helixtrans-65.6-29.9176.8-67.3176.8-144.800113.3R364 Y366 K372R364-E368 PolarHBondContact O-N 3.23Å; Y366-E368 VanDerWaalsContact C-N 3.31Å; Y366-E368 PolarHBondContact O-N 3.15Å; E368-K372 VanDerWaalsContact O-CD 3.26Å; E368-K372 WeakPolarHBondContact O-CD 3.32Å; E368-K372 WeakPolarHBondContact O-CE 3.26Å; E368-K372 WeakPolarHBondContact O-CG 3.4Å; E368-K372 PolarHBondContact O-NZ 3.48Å
369E93.3Very high92.9Very high97 Ų9789.8 Ų89.845%0.45347%0.472SS..Hα-helixtrans-88.2-33.2176.8-65.4-53.7130.700112.3K365 Y366 D367 G371 K372 A373K365-E369 PolarHBondContact O-N 2.83Å; Y366-E369 PolarHBondContact O-N 2.89Å; Y366-E369 VanDerWaalsContact O-N 3.12Å; D367-E369 VanDerWaalsContact C-N 3.31Å; D367-E369 PolarHBondContact O-N 2.78Å; E369-G371 VanDerWaalsContact C-N 3.3Å; E369-G371 PolarHBondContact O-N 3.49Å; E369-K372 CarbonylContact O-C 3.46Å; E369-K372 WeakPolarHBondContact O-CA 3.42Å; E369-K372 WeakPolarHBondContact O-CB 3.23Å; E369-K372 PolarHBondContact O-N 3.46Å; E369-K372 IonicContact OE1-NZ 3.18Å; E369-K372 PolarHBondContact OE1-NZ 2.94Å; E369-K372 IonicContact OE2-NZ 3.68Å; E369-A373 PolarHBondContact O-N 2.95Å
370L93.9Very high92.8Very high22 Ų2290 Ų9012%0.11548%0.475CS..Hα-helixtrans-58-43.7171.6-176.566.5000110.7A321 I324 L325 Y366 D367 K372 A373A321-L370 HydrophobicContact CB-CD1 4.04Å; A321-L370 HydrophobicContact CB-CG 4.23Å; I324-L370 HydrophobicContact CB-CD2 4Å; I324-L370 HydrophobicContact CD1-CD1 4.27Å; I324-L370 HydrophobicContact CG2-CD2 3.58Å; L325-L370 HydrophobicContact CD2-CD2 4.11Å; L325-L370 HydrophobicContact CG-CD2 4Å; Y366-L370 HydrophobicContact CE1-CB 4.46Å; Y366-L370 HydrophobicContact CE1-CD2 4.16Å; Y366-L370 WeakPolarHBondContact O-CB 3.45Å; Y366-L370 PolarHBondContact O-N 3.42Å; D367-L370 PolarHBondContact O-N 2.83Å; L370-K372 PolarHBondContact O-N 3.12Å; L370-A373 WeakPolarHBondContact O-CB 3.27Å; L370-A373 PolarHBondContact O-N 3.01Å; L370-A373 VanDerWaalsContact O-N 3.14Å
371G89.6Confident92.8Very high70 Ų7094.1 Ų94.172%0.72250%0.495SS*.THydrogen-bonded Turntrans-63.7-6.2172.700000115.5D367 E369D367-G371 PolarHBondContact O-N 3.37Å; D367-G371 VanDerWaalsContact O-N 3.1Å; E369-G371 VanDerWaalsContact C-N 3.3Å; E369-G371 PolarHBondContact O-N 3.49Å
372K90.5Very high92.7Very high75 Ų7596.6 Ų96.633%0.32650%0.503SS..THydrogen-bonded Turntrans-112.2-2.5177.3-60.8167.3-169.9126.40113.1E368 E369 L370 R375E368-K372 VanDerWaalsContact O-CD 3.26Å; E368-K372 WeakPolarHBondContact O-CD 3.32Å; E368-K372 WeakPolarHBondContact O-CE 3.26Å; E368-K372 WeakPolarHBondContact O-CG 3.4Å; E368-K372 PolarHBondContact O-NZ 3.48Å; E369-K372 CarbonylContact O-C 3.46Å; E369-K372 WeakPolarHBondContact O-CA 3.42Å; E369-K372 WeakPolarHBondContact O-CB 3.23Å; E369-K372 PolarHBondContact O-N 3.46Å; E369-K372 IonicContact OE1-NZ 3.18Å; E369-K372 PolarHBondContact OE1-NZ 2.94Å; E369-K372 IonicContact OE2-NZ 3.68Å; L370-K372 PolarHBondContact O-N 3.12Å; K372-R375 PolarHBondContact O-NH1 3.02Å
373A84.2Confident92.6Very high63 Ų6396.3 Ų96.352%0.52149%0.494SS..  trans-73.5-34.8-168.900000114E369 L370 R375E369-A373 PolarHBondContact O-N 2.95Å; L370-A373 WeakPolarHBondContact O-CB 3.27Å; L370-A373 PolarHBondContact O-N 3.01Å; L370-A373 VanDerWaalsContact O-N 3.14Å; A373-R375 PolarHBondContact O-N 3.36Å
374A80.3Confident92.5Very high60 Ų6098.8 Ų98.850%0.49650%0.504SS..  trans-74.294.5-179.400000111.5M314 V317M314-A374 HydrophobicContact SD-CB 3.99Å; V317-A374 HydrophobicContact CG1-CB 4.16Å
375R87.5Confident92.6Very high191 Ų19194.9 Ų94.972%0.72150%0.501SS*.  trans-139.2120.8176.6-70.4-174.1171.8124.9-4.2112.1K372 A373K372-R375 PolarHBondContact O-NH1 3.02Å; A373-R375 PolarHBondContact O-N 3.36Å
376F93.1Very high92.7Very high124 Ų12493.1 Ų93.154%0.54450%0.495SS..  trans-87.1144.8167.8176.3-117.6000110.8L310 M314 C378L310-F376 HydrophobicContact CD1-CE2 3.83Å; L310-F376 HydrophobicContact CD1-CZ 4.38Å; L310-F376 HydrophobicContact CD2-CE2 4.35Å; M314-F376 HydrophobicContact CE-CB 3.98Å; F376-C378 HydrophobicContact CE1-CB 3.96Å; F376-C378 HydrophobicContact CE2-CB 4.25Å; F376-C378 HydrophobicContact CZ-CB 3.56Å
377S92.6Very high92.6Very high111 Ų11189.9 Ų89.978%0.77649%0.486SS*.  trans-147.2142.7171.160.40000110
378C93.1Very high92.6Very high70 Ų7095.6 Ų95.647%0.47351%0.513SS..  trans-151.9129.2-178.6-178.50000110.1F376 I380F376-C378 HydrophobicContact CE1-CB 3.96Å; F376-C378 HydrophobicContact CE2-CB 4.25Å; F376-C378 HydrophobicContact CZ-CB 3.56Å; C378-I380 PolarHBondContact O-N 3.33Å
379D94.9Very high92.7Very high89 Ų8997.4 Ų97.448%0.47653%0.526SS..  trans-85.190.8171.8-171.5-16.8000110E381 Q382 L383D379-E381 VanDerWaalsContact C-N 3.27Å; D379-E381 PolarHBondContact O-N 3.36Å; D379-E381 PolarHBondContact OD1-N 2.61Å; D379-Q382 HydrophobicContact CB-CB 4.02Å; D379-Q382 PolarHBondContact OD1-N 3.28Å; D379-Q382 WeakPolarHBondContact OD2-CB 3.4Å; D379-L383 WeakPolarHBondContact O-CB 3.33Å; D379-L383 PolarHBondContact O-N 2.84Å; D379-L383 VanDerWaalsContact O-N 3.09Å
380I95.4Very high92.6Very high104 Ų10496 Ų9653%0.53353%0.526SS..Hα-helixtrans-66-30.7179.3-61.1173.3000111.2C378 K384C378-I380 PolarHBondContact O-N 3.33Å; I380-K384 HydrophobicContact CG2-CD 4.25Å; I380-K384 HydrophobicContact CG2-CG 4.48Å; I380-K384 WeakPolarHBondContact O-CB 3.39Å; I380-K384 WeakPolarHBondContact O-CD 3.44Å; I380-K384 WeakPolarHBondContact O-CG 3.46Å; I380-K384 PolarHBondContact O-N 3Å
381E96.9Very high92.6Very high128 Ų12898.4 Ų98.460%0.59856%0.556SS**Hα-helixtrans-72.6-46-179.5-69.1-69.799.900110.8D379 L383 K384 A385D379-E381 VanDerWaalsContact C-N 3.27Å; D379-E381 PolarHBondContact O-N 3.36Å; D379-E381 PolarHBondContact OD1-N 2.61Å; E381-L383 VanDerWaalsContact C-N 3.35Å; E381-L383 PolarHBondContact O-N 3.2Å; E381-K384 PolarHBondContact O-N 3.03Å; E381-K384 IonicContact OE1-NZ 3.93Å; E381-K384 PolarHBondContact OE1-NZ 2.83Å; E381-A385 WeakPolarHBondContact O-CB 3.37Å; E381-A385 PolarHBondContact O-N 2.83Å
382Q96.4Very high92.8Very high115 Ų115103.3 Ų103.354%0.53756%0.56SS.*Hα-helixtrans-62.7-40.7174.4-177.4177.68700111.8D379 A385 Q386D379-Q382 HydrophobicContact CB-CB 4.02Å; D379-Q382 PolarHBondContact OD1-N 3.28Å; D379-Q382 WeakPolarHBondContact OD2-CB 3.4Å; Q382-A385 PolarHBondContact O-N 2.98Å; Q382-Q386 WeakPolarHBondContact O-CG 3.37Å; Q382-Q386 PolarHBondContact O-N 3.2Å
383L94.6Very high93Very high77 Ų77105.7 Ų105.740%0.40358%0.575SS.*Hα-helixtrans-63.9-46.5176.6-179.358.8000111.8D379 E381 A385 Q386 I387D379-L383 WeakPolarHBondContact O-CB 3.33Å; D379-L383 PolarHBondContact O-N 2.84Å; D379-L383 VanDerWaalsContact O-N 3.09Å; E381-L383 VanDerWaalsContact C-N 3.35Å; E381-L383 PolarHBondContact O-N 3.2Å; L383-A385 VanDerWaalsContact C-N 3.3Å; L383-A385 PolarHBondContact O-N 3.39Å; L383-Q386 PolarHBondContact O-N 2.85Å; L383-I387 HydrophobicContact CD1-CD1 4.17Å; L383-I387 HydrophobicContact CD1-CG1 4.45Å; L383-I387 HydrophobicContact CG-CD1 4.03Å; L383-I387 WeakPolarHBondContact O-CG1 3.21Å; L383-I387 PolarHBondContact O-N 3.21Å
384K94.9Very high93.5Very high109 Ų109108.4 Ų108.447%0.47459%0.585SS.*Hα-helixtrans-55.9-45.2172.6-75.1165.6-176.4165.60111.5I380 E381 Q386 I387 M388I380-K384 HydrophobicContact CG2-CD 4.25Å; I380-K384 HydrophobicContact CG2-CG 4.48Å; I380-K384 WeakPolarHBondContact O-CB 3.39Å; I380-K384 WeakPolarHBondContact O-CD 3.44Å; I380-K384 WeakPolarHBondContact O-CG 3.46Å; I380-K384 PolarHBondContact O-N 3Å; E381-K384 PolarHBondContact O-N 3.03Å; E381-K384 IonicContact OE1-NZ 3.93Å; E381-K384 PolarHBondContact OE1-NZ 2.83Å; K384-Q386 VanDerWaalsContact C-N 3.31Å; K384-Q386 PolarHBondContact O-N 2.96Å; K384-I387 PolarHBondContact O-N 3.43Å; K384-M388 WeakPolarHBondContact O-CG 3.46Å; K384-M388 PolarHBondContact O-N 3.17Å
385A96.8Very high94.1Very high54 Ų54112.6 Ų112.645%0.44659%0.594SS.*Hα-helixtrans-61.5-38.1-179.700000112.3E381 Q382 L383 L389E381-A385 WeakPolarHBondContact O-CB 3.37Å; E381-A385 PolarHBondContact O-N 2.83Å; Q382-A385 PolarHBondContact O-N 2.98Å; L383-A385 VanDerWaalsContact C-N 3.3Å; L383-A385 PolarHBondContact O-N 3.39Å; A385-L389 WeakPolarHBondContact O-CG 3.45Å; A385-L389 PolarHBondContact O-N 3.46Å
386Q94.8Very high94.3Very high120 Ų120109.9 Ų109.956%0.56160%0.601SS**Hα-helixtrans-68.3-42.2173.7-68.417925.400112.2Q382 L383 K384 M388 L389 C390Q382-Q386 WeakPolarHBondContact O-CG 3.37Å; Q382-Q386 PolarHBondContact O-N 3.2Å; L383-Q386 PolarHBondContact O-N 2.85Å; K384-Q386 VanDerWaalsContact C-N 3.31Å; K384-Q386 PolarHBondContact O-N 2.96Å; Q386-M388 VanDerWaalsContact C-N 3.33Å; Q386-M388 PolarHBondContact O-N 3.48Å; Q386-L389 PolarHBondContact O-N 3.31Å; Q386-L389 VanDerWaalsContact O-N 3.14Å; Q386-C390 PolarHBondContact O-N 2.85Å
387I94.6Very high94.2Very high59 Ų59112.7 Ų112.730%0.30361%0.613SS.*Hα-helixtrans-62.8-39.5177-66.1168000111.2L299 I303 L383 K384 L389 C390L299-I387 HydrophobicContact CD2-CG1 4.48Å; I303-I387 HydrophobicContact CD1-CD1 4.43Å; L383-I387 HydrophobicContact CD1-CD1 4.17Å; L383-I387 HydrophobicContact CD1-CG1 4.45Å; L383-I387 HydrophobicContact CG-CD1 4.03Å; L383-I387 WeakPolarHBondContact O-CG1 3.21Å; L383-I387 PolarHBondContact O-N 3.21Å; K384-I387 PolarHBondContact O-N 3.43Å; I387-L389 PolarHBondContact O-N 3.13Å; I387-C390 WeakPolarHBondContact O-CB 3.22Å; I387-C390 PolarHBondContact O-N 3.12Å
388M94.3Very high94.1Very high159 Ų159113.4 Ų113.478%0.78361%0.608SS**THydrogen-bonded Turntrans-66.8-14.8176.6-72.8-58.3-5500114.3K384 Q386K384-M388 WeakPolarHBondContact O-CG 3.46Å; K384-M388 PolarHBondContact O-N 3.17Å; Q386-M388 VanDerWaalsContact C-N 3.33Å; Q386-M388 PolarHBondContact O-N 3.48Å
389L94.6Very high94Very high149 Ų149117 Ų11778%0.7862%0.623SS**THydrogen-bonded Turntrans-97.12.9173.4-65.7170.1000112.6A385 Q386 I387 G391A385-L389 WeakPolarHBondContact O-CG 3.45Å; A385-L389 PolarHBondContact O-N 3.46Å; Q386-L389 PolarHBondContact O-N 3.31Å; Q386-L389 VanDerWaalsContact O-N 3.14Å; I387-L389 PolarHBondContact O-N 3.13Å; L389-G391 PolarHBondContact O-N 3.29Å
390C92.1Very high93.7Very high68 Ų68121.7 Ų121.746%0.45964%0.635SS.*SBendtrans-84.5103.8-173.7-166.20000112.6Q386 I387Q386-C390 PolarHBondContact O-N 2.85Å; I387-C390 WeakPolarHBondContact O-CB 3.22Å; I387-C390 PolarHBondContact O-N 3.12Å
391G92.9Very high93.2Very high72 Ų72121.7 Ų121.774%0.74264%0.644SS**  trans97.8143.8171.400000114.5L389L389-G391 PolarHBondContact O-N 3.29Å
392E94.8Very high92.1Very high172 Ų172121.5 Ų121.580%0.80466%0.657SS**  trans-134.4158.8178.960.1164-162.400112.1
393I95.4Very high91.2Very high126 Ų126126.5 Ų126.565%0.64667%0.671SS**  trans-121.7111.7177.7-61.5177.8000109.3H395I393-H395 PolarHBondContact O-CE1 3.02Å; I393-H395 PolarHBondContact O-ND1 3.28Å
394T93.3Very high90Very high120 Ų120129 Ų12974%0.73669%0.69SS**PPolyproline II helixtrans-78.9133.9175.255.80000111
395H93.3Very high88.3Confident148 Ų148128.9 Ų128.969%0.68570%0.7SS**PPolyproline II helixtrans-100.8142.9-174-7264.3000111.7I393 K397I393-H395 PolarHBondContact O-CE1 3.02Å; I393-H395 PolarHBondContact O-ND1 3.28Å; H395-K397 PolarHBondContact O-N 2.99Å
396P92.4Very high86.3Confident133 Ų133131 Ų13186%0.86471%0.71SS**PPolyproline II helixtrans-68.2125.8-176.427.2-34.5000112
397K91.2Very high84.2Confident184 Ų184129.4 Ų129.480%0.871%0.712SS**PPolyproline II helixtrans-92116.8-179-62.8-179.2-178.51780111.1H395 N399H395-K397 PolarHBondContact O-N 2.99Å; K397-N399 PolarHBondContact O-N 3.23Å; K397-N399 PolarHBondContact O-ND2 3.38Å
398N90.1Very high82.2Confident126 Ų126131.2 Ų131.267%0.67473%0.73SS**PPolyproline II helixtrans-69.8123.5170.9-178.314.5000110.3Y400N398-Y400 VanDerWaalsContact OD1-CD2 3.29Å; N398-Y400 WeakPolarHBondContact OD1-CD2 3.4Å; N398-Y400 PolarHBondContact OD1-N 3.28Å
399N91Very high80.2Confident144 Ų144129.2 Ų129.277%0.7772%0.722SS**  trans-128.317.2176.3-67.1-92000111.9K397K397-N399 PolarHBondContact O-N 3.23Å; K397-N399 PolarHBondContact O-ND2 3.38Å
400Y89.2Confident78.3Confident189 Ų189127.7 Ų127.774%0.74172%0.715SS**  trans-71.5135.8175.2-68.4-67.8000110.8N398 S402N398-Y400 VanDerWaalsContact OD1-CD2 3.29Å; N398-Y400 WeakPolarHBondContact OD1-CD2 3.4Å; N398-Y400 PolarHBondContact OD1-N 3.28Å; Y400-S402 PolarHBondContact O-N 2.9Å
401S83.2Confident76.5Confident104 Ų104129 Ų12973%0.72772%0.722SS**  trans-73.4120.6-178.8-178.60000111.7R403S401-R403 PolarHBondContact O-N 3.41Å
402S75.3Confident74.6Confident124 Ų124132.6 Ų132.687%0.86772%0.723SS**  trans-70.769.5173.7-53.10000112.1Y400Y400-S402 PolarHBondContact O-N 2.9Å
403R75.8Confident72.5Confident220 Ų220131.2 Ų131.283%0.8372%0.721SS**PPolyproline II helixtrans-68.9136167-81.5-174.3168.8-92.1-1110S401S401-R403 PolarHBondContact O-N 3.41Å
404T69.9Low70.2Confident130 Ų130131.4 Ų131.480%0.79872%0.723SS**PPolyproline II helixtrans-51.8129.9173.7-40.70000110.6
405P60.3Low67.8Low105 Ų105129.2 Ų129.268%0.68272%0.717SS**PPolyproline II helixtrans-59.6145.5175.9-24.634.4000112.3S407P405-S407 PolarHBondContact O-N 2.9Å
406C53.5Low65.5Low98 Ų98130.9 Ų130.966%0.66273%0.725SS**  trans-72.976.1170.7-66.70000110.8S408 L409C406-S408 PolarHBondContact O-N 2.91Å; C406-S408 VanDerWaalsContact O-N 3.17Å; C406-L409 PolarHBondContact O-N 3.09Å
407S51.4Low63Low87 Ų87129 Ų12961%0.60872%0.72SS**G310 helixtrans-59.6-22.1-18050.50000114P405 L409 L410P405-S407 PolarHBondContact O-N 2.9Å; S407-L409 PolarHBondContact O-N 3.34Å; S407-L409 VanDerWaalsContact O-N 3.17Å; S407-L410 PolarHBondContact O-N 2.95Å
408S52.5Low60.4Low97 Ų97124.7 Ų124.768%0.67872%0.719SS**G310 helixtrans-64.9-12.2179.252.60000115.6C406C406-S408 PolarHBondContact O-N 2.91Å; C406-S408 VanDerWaalsContact O-N 3.17Å
409L53Low57.7Low118 Ų118125.2 Ų125.262%0.61873%0.727SS**G310 helixtrans-96.9-11.9179.4-63.7179.2000114.3C406 S407 P411 L412C406-L409 PolarHBondContact O-N 3.09Å; S407-L409 PolarHBondContact O-N 3.34Å; S407-L409 VanDerWaalsContact O-N 3.17Å; L409-P411 VanDerWaalsContact C-CD 3.46Å; L409-L412 PolarHBondContact O-N 3.4Å
410L54.4Low54.9Low117 Ų117124.4 Ų124.461%0.61373%0.733SS**G310 helixtrans-61.1-37.3-178.9-63.7175.9000114.6S407 L412 L413S407-L410 PolarHBondContact O-N 2.95Å; L410-L412 PolarHBondContact O-N 3.01Å; L410-L412 VanDerWaalsContact O-N 3.16Å; L410-L413 PolarHBondContact O-N 2.83Å
411P54.6Low52.1Low96 Ų96118.4 Ų118.462%0.62373%0.728SS**G310 helixtrans-60.3-27.3179.8-26.136.1000114.4L409 L413L409-P411 VanDerWaalsContact C-CD 3.46Å; P411-L413 VanDerWaalsContact C-N 3.31Å; P411-L413 PolarHBondContact O-N 3.29Å
412L51.7Low49.7Very low146 Ų146122.3 Ų122.376%0.76473%0.732SS**G310 helixtrans-76.9-16.5-172.4-153.771.4000113.6L409 L410L409-L412 PolarHBondContact O-N 3.4Å; L410-L412 PolarHBondContact O-N 3.01Å; L410-L412 VanDerWaalsContact O-N 3.16Å
413L50.7Low47.6Very low144 Ų144124.5 Ų124.575%0.75473%0.729SS**THydrogen-bonded Turntrans-92.8-21.5178.3-75163.8000113.3L410 P411L410-L413 PolarHBondContact O-N 2.83Å; P411-L413 VanDerWaalsContact C-N 3.31Å; P411-L413 PolarHBondContact O-N 3.29Å
414N48Very low45.3Very low130 Ų130119.3 Ų119.370%0.69573%0.726SS**SBendtrans-90.8-3.3-175.5-78.431.4000114.2H416 A417N414-H416 PolarHBondContact O-N 3.17Å; N414-A417 PolarHBondContact O-N 2.82Å
415A43.4Very low43.4Very low73 Ų73120 Ų12060%0.60373%0.725SS**THydrogen-bonded Turntrans-67.83.7-17300000116.1
416H43Very low42Very low184 Ų184125.1 Ų125.185%0.85274%0.737SS**THydrogen-bonded Turntrans-121.68.7-178.2-65.3-47.1000114.8N414N414-H416 PolarHBondContact O-N 3.17Å
417A40.9Very low40.9Very low92 Ų92125.8 Ų125.876%0.7674%0.743SS**  trans-124.171.9-179.200000111.8N414N414-A417 PolarHBondContact O-N 2.82Å
418A36.8Very low39.8Very low94 Ų94133.5 Ų133.578%0.77776%0.758SS**  trans-144.956.9-173.800000114.6
419T33.6Very low38.8Very low137 Ų137138.6 Ų138.684%0.8477%0.768SS**  trans-138.6144.3158.478.20000110.9
420S32.3Very low37.6Very low128 Ų128138.3 Ų138.390%0.89578%0.777SS**  trans63.9143175.6-148.60000117.4
421G28.9Very low36.3Very low63 Ų63137.7 Ų137.765%0.64978%0.782SS**  cis161.6107.4-10.200000114.8
422K33.4Very low35Very low186 Ų186139.2 Ų139.281%0.80979%0.79SS**  trans61.5123.7158.7-68.2-177175.2-177.40120.8
423Q32Very low33.9Very low169 Ų169139.4 Ų139.479%0.7979%0.786SS**  54.1121.3127-58.4173-5400120.6
424S27.3Very low32.9Very low112 Ų112139.8 Ų139.878%0.78379%0.789SS**  -165.7152.2101.8-164.20000111.8
425N28.8Very low32.3Very low144 Ų144141.9 Ų141.977%0.7779%0.792SS**  trans-101.4149.2170.3-66.4-53.4000109.6
426F31.5Very low32.1Very low212 Ų212144 Ų14493%0.9380%0.8SS**  trans-156.9152140.2-99-61.6000111.6
427S30.6Very low31.5Very low112 Ų112139.4 Ų139.478%0.78379%0.788SS**  trans-126.7150-175.7-45.70000111.3
428R28.3Very low31Very low249 Ų249144.4 Ų144.494%0.9480%0.796SS**  trans-152.3152.7157.2-155.5158.5-71.4-1421.7111.2
429K31.1Very low30.8Very low204 Ų204143.4 Ų143.489%0.88780%0.795SS**  trans-122.1146.3-173.9-61.6175.2177.5177.50111.8
430S28.4Very low30.8Very low113 Ų113147.3 Ų147.379%0.7980%0.8SS**  trans-171.2130143.441.10000107.4
431S27.5Very low30.7Very low104 Ų104146 Ų14673%0.72780%0.797SS**  73.4133.864.6-147.90000111.7
432T26.6Very low30.7Very low128 Ų128148 Ų14879%0.78581%0.808SS**  cis-151.8170.121.3-39.90000113.2
433H28.3Very low30.5Very low150 Ų150146.4 Ų146.469%0.69481%0.808SS**  trans-28.9152.3167-127.9-124.1000117.4
434N29.4Very low31.3Very low151 Ų151144 Ų14481%0.80781%0.807SS**  -160.4164.971.6-91.1-49.8000116.5
435K36.2Very low31.4Very low175 Ų175148 Ų14876%0.76181%0.81SS**  trans-125.3156.5174.2-109.1-173.2179.4-173.50109.4
436P38.4Very low31.5Very low117 Ų117148.7 Ų148.776%0.7681%0.811SS**  -147.4-177.682.545.7-28.5000113.2
437S31.2Very low31.4Very low88 Ų88144.6 Ų144.662%0.61580%0.803SS**  cis82.6135.86.969.90000118.7
438E31.1Very low31.1Very low196 Ų196144.1 Ų144.192%0.91680%0.8SS**  cis-168.7162.8-12.1-127.1-170.513000111.7
439G31Very low31Very low74 Ų74137.8 Ų137.876%0.76379%0.793SS**  trans79.2173.9154.100000119.3
440K34.8Very low30.9Very low218 Ų218135.5 Ų135.595%0.94879%0.79SS**  cis-160.1165.9-19.4-151.7171-178.9175.90111.4
441A30.4Very low31.6Very low100 Ų100135.6 Ų135.683%0.82679%0.788SS**  trans-77.3166.5-167.600000118.6
442A28.5Very low31.5Very low106 Ų106135.4 Ų135.488%0.87679%0.786SS**  trans-159.1156.1152.500000112.9
443N29.3Very low31.4Very low153 Ų153135.2 Ų135.282%0.81879%0.785SS**  trans-166.7135.6176.6177.1-1.8000110.9
444P48.4Very low31.4Very low118 Ų118134.2 Ų134.277%0.76679%0.79SS**  trans-126167.4164.337-22.3000117
445K30.5Very low31.2Very low197 Ų197133.6 Ų133.686%0.85779%0.787SS**  trans-70.7-175.8-175.5-53.3167.5179.4172.40112.9
446M30.9Very low31.4Very low158 Ų158130.7 Ų130.778%0.77879%0.786SS**  cis-17616527.6-156.4177.1165.300112.7
447V27.8Very low30.8Very low126 Ų126128.7 Ų128.776%0.76478%0.775SS**  trans67.7154.8148.1138.60000118
448S24.8Very low30.8Very low102 Ų102131.8 Ų131.871%0.71378%0.779SS**  cis-170.6-179.4-26.5-167.60000110.7
449S25.9Very low30.7Very low115 Ų115131 Ų13180%0.80478%0.775SS**  trans104.3144.8158.179.50000120.7
450L29.8Very low30.5Very low157 Ų157131.6 Ų131.682%0.82277%0.773SS**  trans-141.2152.3173.6-145.984.5000106.6
451P42Very low30.3Very low114 Ų114129.2 Ų129.274%0.7477%0.768SS**  -145152.9101.133.4-14.8000113.4
452S25.5Very low31.1Very low100 Ų100130 Ų13070%0.69976%0.764SS**  52.5141.496.3-38.20000115.8
453T25.1Very low31.1Very low124 Ų124128.8 Ų128.876%0.76175%0.754SS**  cis-108.7-149.51148.90000111.5
454T28.3Very low31Very low130 Ų130127.6 Ų127.680%0.79875%0.748SS**  cis-157.6169.58-21.60000111.2
455D24.8Very low30.3Very low138 Ų138129.8 Ų129.874%0.73875%0.745SS**  trans-119174.4169.6-145.7-0000107.4S457D455-S457 PolarHBondContact OD1-N 3.07Å
456P40.1Very low30.5Very low114 Ų114128.2 Ų128.274%0.7474%0.741SS**  cis-143.4149.34643.4-23.4000118.5
457S25.7Very low30.4Very low75 Ų75128.3 Ų128.352%0.52475%0.745SS.*  121.3148.2113.8-136.40000121.9D455D455-S457 PolarHBondContact OD1-N 3.07Å
458H32.6Very low30.5Very low152 Ų152125.1 Ų125.170%0.70474%0.737SS**  trans72.4106.7156.4-58.8-52.4000122.4
459Q28.6Very low30.8Very low179 Ų179126.1 Ų126.184%0.83674%0.744SS**  58.6140.6121.2-67-177.213.400120.9
460A26.4Very low31Very low88 Ų88125.5 Ų125.573%0.72774%0.74SS**  cis-158.6159.4-8.500000112
461M31.3Very low31.2Very low168 Ų168125.7 Ų125.783%0.82874%0.742SS**  trans-83.9167.3162.7-72.6-61.9-73.100109.1
462P46.4Very low31.1Very low115 Ų115128.9 Ų128.975%0.74775%0.747SS**  cis-156.5-17937.945.3-23.8000120.6
463A29.9Very low31.6Very low82 Ų82135.6 Ų135.668%0.67876%0.757SS**  trans73.5160.6151.200000117.6
464N27.2Very low32.3Very low127 Ų127140.6 Ų140.668%0.67976%0.762SS**  cis-145.3176.19.2-157.29.2000113.8
465K32.2Very low32.6Very low165 Ų165146 Ų14672%0.71777%0.768SS**  trans-43.7162.9170.2-58.1148.3-164.3173.50113.6
466Q34.6Very low33Very low164 Ų164149 Ų14977%0.76677%0.774SS**  cis-146.7151.230-115.4117-2700110.1
467N29.7Very low32.4Very low160 Ų160150.4 Ų150.486%0.85678%0.776SS**  45.9128.786.6-157.543.1000115.2
468G29.1Very low33.2Very low58 Ų58151.4 Ų151.460%0.59878%0.78SS**  cis156.8146.2-5.700000112.3
469S31.2Very low33.2Very low124 Ų124152.8 Ų152.887%0.86779%0.787SS**  trans64.7124170.9-163.20000119.5
470S31.5Very low33.3Very low102 Ų102155.1 Ų155.171%0.71379%0.79SS**  -178.5137.3105.8-171.20000112
471N32.9Very low33.8Very low160 Ų160159.1 Ų159.186%0.85679%0.793SS**  trans-106.6133.1171.9-85.3-74.9000110.2
472Q40.7Very low33.7Very low181 Ų181158 Ų15885%0.84679%0.79SS**  trans-133.8143156.8-76.9-150.521.300112.6
473R36Very low33.1Very low241 Ų241159.5 Ų159.591%0.90979%0.792SS**  trans-138.7108.8-167.9177-171.1-173.2-121.66.6109.8
474R39.9Very low33.1Very low230 Ų230167 Ų16787%0.86880%0.803SS**  trans-138.5100.1171-74.8-160.7-176.1-143.14.4114.6
475R33.5Very low33.4Very low244 Ų244169.4 Ų169.492%0.92182%0.815SS**  trans58144.3137.2-61.7-169.9174.8-148.8-1.4121.5
476F33.7Very low33.3Very low200 Ų200169.4 Ų169.488%0.87782%0.823SS**  trans-71.7152.4173.3-81.6-122.5000113.2
477N27.2Very low33Very low144 Ų144165.1 Ų165.177%0.7782%0.822SS**  -158.4141.2110.9-157.653.4000110.8
478P42.5Very low33.6Very low96 Ų96164 Ų16462%0.62382%0.823SS**  trans-94.1143.9178.935.4-31.3000112.4
479Q32.1Very low33.6Very low180 Ų180166.1 Ų166.184%0.84184%0.836SS**  trans-128.5121.8175.6-163.876.7-20.800110.1
480Y32Very low33.8Very low229 Ų229170.2 Ų170.290%0.89884%0.838SS**  trans-73.4136.2175-89.8-100.2000111.1
481H36.8Very low33.8Very low172 Ų172170.1 Ų170.180%0.79684%0.837SS**  trans-139.5142.7152.8-152.266.9000110.3
482N29.6Very low33.8Very low144 Ų144171.9 Ų171.977%0.7784%0.84SS**  trans-74.5152.5168.5-78.8-87.2000108.9
483N32.4Very low33.1Very low147 Ų147167 Ų16779%0.78684%0.838SS**  -163.9157.2125.8-103.9-28.1000113.1
484R31.1Very low32.8Very low240 Ų240161.8 Ų161.891%0.90684%0.839SS**  trans-70.7145.2168.9-62.8175.2173.5-142.8-0.8109.5
485L32.2Very low32.3Very low176 Ų176154.1 Ų154.192%0.92183%0.831SS**  trans-110.9129.6161.6-80.3164.3000108.9
486N30.6Very low32.1Very low166 Ų166149.9 Ų149.989%0.88883%0.827SS**  trans-157.8110.8172.2-151.826.9000109.4
487G28.8Very low32Very low73 Ų73149.3 Ų149.375%0.75383%0.827SS**  trans83.4121.2175.100000116.4
488P41.2Very low32.3Very low136 Ų136147.2 Ų147.288%0.88383%0.83SS**  trans-90.1151.7167.535-32.3000112.5
489A29.2Very low32.1Very low104 Ų104150 Ų15086%0.8684%0.84SS**  trans-129164.1173.500000111.5
490K36.5Very low33.1Very low209 Ų209146.6 Ų146.691%0.90983%0.833SS**  trans-87.1151.1-171.4-57.3177.7179.9-179.20114
491S31.8Very low33.1Very low100 Ų100144.1 Ų144.170%0.69983%0.834SS**  trans-152.6128.9150.538.40000107.6
492Q32.1Very low32.9Very low197 Ų197139.2 Ų139.292%0.92183%0.831SS**  58.9134.589.9-62.1177.7-89.300113.8
493G26.6Very low33Very low78 Ų78142.9 Ų142.980%0.80484%0.84SS**  cis-163.7-154.2-2.300000107.9
494S28.6Very low32.8Very low132 Ų132139.6 Ų139.692%0.92384%0.84SS**  cis-168.4148.3-10.5-1700000107.7
495G30.1Very low32.6Very low69 Ų69135.3 Ų135.371%0.71184%0.836SS**  trans163.9133174.300000114.6
496N29.6Very low32.6Very low156 Ų156133.5 Ų133.583%0.83483%0.827SS**  trans-96.1174.7177.5-56-19.6000109.6
497E31.1Very low32.6Very low188 Ų188136.4 Ų136.488%0.87983%0.825SS**  cis-155.1-172.619.1-152.2-178.114200111.1
498A33Very low32.7Very low100 Ų100140.7 Ų140.783%0.82683%0.825SS**  trans91.6125.1176.900000118
499D39.7Very low32.2Very low155 Ų155141.1 Ų141.183%0.82982%0.816SS**  trans-103.3-179.8178.4-124.3-30.8000109.4
500P52.2Low32.4Very low108 Ų108144 Ų14470%0.70181%0.811SS**  cis-134.1176-15.539.9-23.8000114.9
501L32.4Very low32.1Very low176 Ų176143.9 Ų143.992%0.92181%0.805SS**  155.6139127.3-175.863.2000113
502G32.3Very low32.2Very low70 Ų70149.5 Ų149.572%0.72281%0.81SS**  trans110.298.2158.700000116.6
503K31.4Very low32.2Very low221 Ų221148.5 Ų148.596%0.96181%0.806SS**  trans-77.5145.2174.2-72173.4176.7170.60112.4
504G27.6Very low33.3Very low77 Ų77149.4 Ų149.479%0.79480%0.797SS**  trans-165.8107.7159.600000111.9
505N28.3Very low33.4Very low151 Ų151150.6 Ų150.681%0.80779%0.788SS**  trans-148.789.7-171.4-156.613.7000115.1
506N30.7Very low33.4Very low137 Ų137154.6 Ų154.673%0.73379%0.793SS**  59.5157.3129.9-150-3.4000122.4
507R30.8Very low33.4Very low228 Ų228150.5 Ų150.586%0.8679%0.788SS**  trans82.4152.4171.6-55.8177.3178.8-177.7-0.1117.9
508H32Very low33.4Very low163 Ų163151.6 Ų151.676%0.75579%0.79SS**  cis-163.5162.2-39.1-148.949.6000110.3
509E29.4Very low33.7Very low145 Ų145155.8 Ų155.868%0.67879%0.785SS**  trans10.2138.9169.7-66.2-173.9119.100123.5
510H33.3Very low33.7Very low165 Ų165154.2 Ų154.276%0.76478%0.783SS**  -176.4118.2112-99.227.9000116.4
511R31.6Very low32.8Very low206 Ų206157.2 Ų157.278%0.77779%0.785SS**  57.596.7128.6-155.7175.9-168.6134.3-2.9124
512R33.5Very low32.8Very low217 Ų217155.4 Ų155.482%0.81978%0.776SS**  trans74.9121137.9-61.5177.7-177.4-121.6-2.5122.9
513Q32.5Very low33Very low176 Ų176161.6 Ų161.682%0.82278%0.783SS**  37.5153.1123-68.9-83.89.300121.6
514P48.3Very low33Very low97 Ų97154.9 Ų154.963%0.6378%0.777SS**  cis-140.5-171.60.235.1-11.6000117.4
515H32.2Very low33.3Very low157 Ų157155.1 Ų155.173%0.72778%0.779SS**  trans81.8129.7153.9-84-62.7000124.4
516N29Very low33.6Very low153 Ų153152.7 Ų152.782%0.81878%0.78SS**  trans54.9149.8145.2-58.25.4000120.4
517G29.9Very low33.8Very low70 Ų70152 Ų15272%0.72277%0.771SS**  cis-160.5-155.38.500000114.4
518F30.7Very low33.9Very low211 Ų211145 Ų14593%0.92575%0.751SS**  trans-87153.1-159.6-100.2-113.6000117.7
519R39.9Very low33.8Very low188 Ų188145.8 Ų145.871%0.70975%0.754SS**  trans-51.4142.3162.3174.4-145.8-157.6-154.824.3114.7
520P38.8Very low33.8Very low123 Ų123147 Ų14780%0.79976%0.76SS**  trans-105.7152.4149.133.2-24.6000112.8
521K34.6Very low33.8Very low170 Ų170142.7 Ų142.774%0.73975%0.754SS**  trans-130.6146.5168.5-164.6-178.5-178.6-171.90108.9
522N31.8Very low33.7Very low139 Ų139137.8 Ų137.874%0.74375%0.751SS**  trans-52.6146.2-169.9-79-52.4000117.9
523K36.9Very low33.6Very low199 Ų199135.7 Ų135.787%0.86576%0.755SS**  trans64.5141.1154.4-61.6167.1-177.3-171.50115.6
524G31.6Very low33.4Very low80 Ų80130.4 Ų130.483%0.82575%0.748SS**  cis99132.116.300000110.8
525G34.4Very low32.5Very low82 Ų82133.7 Ų133.785%0.84576%0.757SS**  cis148.6116.5-3.400000111.4
526A33.1Very low32.4Very low101 Ų101134.7 Ų134.784%0.83576%0.759SS**  trans-154.6155.1176.300000110.5
527K35.9Very low32.6Very low122 Ų122133.6 Ų133.653%0.5376%0.758SS.*  trans-151.4137.1-170.3-77.6172.6159.8-175.40112.6S154 S155 S156S154-K527 VanDerWaalsContact O-CD 3.24Å; S154-K527 WeakPolarHBondContact O-CD 3.25Å; S154-K527 WeakPolarHBondContact O-CE 3.21Å; S154-K527 PolarHBondContact O-NZ 2.71Å; S155-K527 CarbonylContact C-O 3.58Å; S155-K527 WeakPolarHBondContact O-CB 3.11Å; S155-K527 WeakPolarHBondContact O-CD 3.12Å; S156-K527 CarbonylContact C-O 3.56Å; S156-K527 VanDerWaalsContact CA-O 3.29Å; S156-K527 WeakPolarHBondContact CA-O 3.27Å; S156-K527 PolarHBondContact N-O 3.2Å
528N32.7Very low33.2Very low81 Ų81135.3 Ų135.343%0.43376%0.757SS.*  trans-166.1156.6145.9-88.5119.2000106.4S155 S156 T157S155-N528 PolarHBondContact OG-ND2 2.71Å; S156-N528 WeakPolarHBondContact CA-OD1 3.27Å; T157-N528 WeakPolarHBondContact CG2-OD1 3.47Å
529Q29.6Very low33Very low179 Ų179134.1 Ų134.184%0.83675%0.754SS**  cis-134.8-150.437.1-139.3169.824.600113.1
530E30.6Very low32.7Very low170 Ų170129.7 Ų129.779%0.79476%0.758SS**  trans-104.8167.9-153.4-156.7159111.900115.2
531A31.9Very low32.7Very low76 Ų76129 Ų12963%0.62875%0.753SS**  trans-67.2168.3168.700000112.1
532S29.2Very low32.5Very low103 Ų103124.6 Ų124.672%0.7275%0.748SS**  cis-174.8-169.4-22.7-177.80000106.7
533L32Very low32.4Very low172 Ų172126.1 Ų126.190%0.90175%0.75SS**  trans72.3142.1176.4-42.8174.7000115.2
534G28.9Very low32Very low66 Ų66122 Ų12268%0.6875%0.747SS**  cis166.8138.7-13.500000115.8
535M29.8Very low31.7Very low166 Ų166125.3 Ų125.382%0.81874%0.741SS**  trans75.2145.7155-53.5-163.884.900122
536K30.1Very low31.7Very low177 Ų177129.8 Ų129.877%0.7774%0.737SS**  trans77.598.1149.7-71.5157.4-175.2-179.80120.9
537T32Very low32.1Very low131 Ų131130.2 Ų130.280%0.80473%0.731SS**  -55.6157.7126.57.60000111.1
538P43.3Very low31.9Very low106 Ų106135.8 Ų135.869%0.68875%0.749SS**  -151.6-167.968.844.3-24.6000117.2
539E26.3Very low31.9Very low185 Ų185141.5 Ų141.586%0.86476%0.764SS**  trans80148158-83.1-174.293.200122.1
540A32.4Very low31.8Very low96 Ų96144.9 Ų144.979%0.79377%0.769SS**  trans-158.2128.5173.200000110.6
541P40.3Very low31.9Very low108 Ų108142.1 Ų142.170%0.70176%0.757SS**  trans-125142.4139.217.51.6000109.9
542A30.4Very low31.8Very low77 Ų77146.8 Ų146.864%0.63677%0.765SS**  cis102.614436.100000113.7
543H28.6Very low31.8Very low171 Ų171146.7 Ų146.779%0.79277%0.77SS**  trans55.1109.816245.2-115.7000123.8
544S28.3Very low31.9Very low112 Ų112143 Ų14378%0.78377%0.765SS**  -175.2127.4129.421.40000108.9
545E25.7Very low32Very low150 Ų150147.1 Ų147.170%0.70177%0.771SS**  64.4136.880.2-67.1-147.2120.700115.6
546K33.8Very low32Very low177 Ų177146 Ų14677%0.7777%0.773SS**  cis-161.7-172.6-10.7-115.9-171.6-175.71460109.3
547P43.2Very low32.2Very low109 Ų109141.8 Ų141.871%0.70877%0.772SS**  trans-115.1167.9-159.842.8-37.2000117
548R30.5Very low32.3Very low239 Ų239145.1 Ų145.190%0.90278%0.779SS**  trans167.9126.9130.8-97.9172.4169.4174.2-3.4115.6
549R32Very low31.9Very low202 Ų202144.2 Ų144.276%0.76278%0.78SS**  23.4124.1126-178.6-176.5178.8171.61119.4
550R29.4Very low32.5Very low249 Ų249146.8 Ų146.894%0.9478%0.782SS**  trans-139.8171.2145.1-108-173.7-179.4-155.9-0.5112
551Q31.1Very low33.8Very low113 Ų113146.8 Ų146.853%0.52877%0.774SS.*  trans-133.6178-171.7-69.8169.3-117.600109.8
552H29.6Very low33.4Very low174 Ų174151 Ų15181%0.80678%0.781SS**  trans77.5151.9169.4-49.5-75.2000115.6
553A29.6Very low33.8Very low100 Ų100158 Ų15883%0.82679%0.791SS**  cis-160.9-173.8-20.300000108.5
554A34Very low33.9Very low95 Ų95153.2 Ų153.279%0.78579%0.788SS**  trans-124.3158.4-172.100000114
555D32.7Very low34.1Very low153 Ų153153 Ų15382%0.81879%0.787SS**  trans-147.5162.2146.8-110.2-44.8000106.1
556T29Very low34.6Very low141 Ų141153.1 Ų153.187%0.86580%0.797SS**  cis-134.1172.923.2-38.40000110.8
557A34.3Very low34.5Very low89 Ų89147.7 Ų147.774%0.73679%0.792SS**  trans-122.8159.8-16800000116.1
558E33.4Very low34.3Very low202 Ų202154.1 Ų154.194%0.94480%0.802SS**  trans-148.7172.7145.2-128.1-177.4174.100110.5
559A35.8Very low34.4Very low87 Ų87148.5 Ų148.572%0.71979%0.794SS**  trans-133.7140.1-140.100000120.3
560R39.3Very low34.4Very low239 Ų239143 Ų14390%0.90279%0.787SS**  trans72161.2145.2-78.3-174.5174.1-177.40120.1
561P58.7Low34.8Very low96 Ų96139 Ų13962%0.62378%0.779SS**  cis-145.1172.4-33.940.6-23.4000117.1
562F32.6Very low34.7Very low195 Ų195137.9 Ų137.986%0.85578%0.782SS**  trans68.1152.6157.4-85.2-68.6000118.8
563R37.6Very low34.9Very low225 Ų225136.4 Ų136.485%0.84978%0.78SS**  cis-151.7126.71.2175.1-170.6-108.9-97.76.4112.9
564G30.6Very low35.1Very low71 Ų71139.9 Ų139.973%0.73278%0.784SS**  trans70.6168.6153.200000119
565S33.1Very low35.1Very low107 Ų107141.2 Ų141.275%0.74879%0.786SS**  cis-171.4130.1-20.449.40000112
566V35.6Very low35.8Very low152 Ų152140.1 Ų140.192%0.92179%0.787SS**  trans48.2140.7163.9-64.30000120.7
567G32.8Very low36.1Very low64 Ų64139.9 Ų139.966%0.6679%0.786SS**  cis145.4143.1-14.800000115.4
568R38.8Very low36Very low244 Ų244147.1 Ų147.192%0.92179%0.794SS**  trans71.2155164.1-56-170.1-175.2-138.13.2115.9
569V31.8Very low36.4Very low121 Ų121144.4 Ų144.473%0.73379%0.785SS**  cis-158153.4-9.51130000112.3
570S32.9Very low36.1Very low87 Ų87149.6 Ų149.661%0.60879%0.794SS**  trans-4.3159.2142.6-80.40000121
571Q37.3Very low36Very low165 Ų165144.3 Ų144.377%0.77179%0.788SS**  cis-171170-3.5-121173.13.700112.4
572C29.8Very low34.7Very low89 Ų89145.4 Ų145.460%0.60180%0.798SS**  trans63.1108.7144.9-67.90000122.9
573N34.4Very low35Very low143 Ų143142.1 Ų142.177%0.76579%0.794SS**  46.3119.8116-49.8-22.3000121.5
574L32.8Very low34.7Very low173 Ų173139.1 Ų139.191%0.90680%0.795SS**  169.8149.4113.3-90.5157.6000111.8
575C34.9Very low35Very low122 Ų122140 Ų14082%0.82480%0.795SS**  trans-110.3154.7173.2-63.60000110.6
576P46.7Very low35Very low131 Ų131139.7 Ų139.785%0.85180%0.799SS**  -146.8171.5117.438.1-22.8000116
577T35Very low35Very low136 Ų136138.4 Ų138.483%0.83479%0.791SS**  trans-82.5142.3-172.2-42.70000115.1
578R33Very low34.9Very low241 Ų241143 Ų14391%0.90980%0.8SS**  trans-155.1159139.3-152.5166179.5168.30.1113
579I42Very low34.6Very low145 Ų145136.6 Ų136.674%0.74479%0.792SS**  trans-100.9142.3179.9-63.8155.6000109.6
580E29.6Very low34.8Very low196 Ų196136.7 Ų136.792%0.91679%0.793SS**  trans-155167.6140.2-141.2154.3-133.600112.1
581V36.6Very low35.5Very low127 Ų127138.3 Ų138.377%0.7780%0.802SS**  trans-118.5142-174.4168.10000109.4
582S31.4Very low35.7Very low119 Ų119134.6 Ų134.683%0.83280%0.799SS**  trans-147.8157.8159.1-164.10000111.6
583T37.7Very low36.1Very low126 Ų126136.7 Ų136.777%0.77381%0.809SS**  trans-122.9143.9-173.351.70000110.8
584D31.8Very low36.8Very low163 Ų163136.6 Ų136.687%0.87281%0.814SS**  trans-150.3156.8146.1-159.76.4000110.6
585A37.2Very low37.4Very low90 Ų90136 Ų13674%0.74481%0.81SS**  trans-156.2115.7-175.400000113.5
586A33.8Very low37.5Very low100 Ų100137.2 Ų137.283%0.82681%0.814SS**  trans-159.8162.516600000111.4
587V34.3Very low37.6Very low124 Ų124139 Ų13975%0.75284%0.84SS**  -173.1158-52.6128.80000107.6
588L32Very low37.7Very low161 Ų161139.2 Ų139.284%0.84384%0.84SS**  trans75.5154.5-173.8-45179.9000114.7
589S32.6Very low38Very low109 Ų109133.8 Ų133.876%0.76284%0.836SS**  cis-141.7169.15.2-158.20000113.3
590V34.9Very low37.8Very low123 Ų123133.2 Ų133.275%0.74584%0.842SS**  trans-122.7138.6-178.5173.40000110.4A592V590-A592 HydrophobicContact CG1-CB 4.43Å
591P47.2Very low38.2Very low122 Ų122129.5 Ų129.579%0.79284%0.837SS**  trans-97.4142.615835.4-28.7000111.1
592A41.1Very low38.3Very low87 Ų87129.7 Ų129.772%0.71984%0.841SS**  trans-150.6163.1-177.900000113.3V590V590-A592 HydrophobicContact CG1-CB 4.43Å
593V39.7Very low38.8Very low132 Ų132130.4 Ų130.480%0.884%0.842SS**  trans71111.5166-170.70000117.7
594T48Very low38.9Very low142 Ų142130.7 Ų130.787%0.87185%0.847SS**  -137.7135.4124.1-32.90000109.5
595L45.6Very low39.4Very low160 Ų160128.2 Ų128.284%0.83885%0.845SS**  trans-130.2145.1168.4-90.8172.5000108.2
596V38.3Very low39.6Very low148 Ų148131.4 Ų131.490%0.89785%0.854SS**  trans156.3130.1165.9146.10000106.2
597A48Very low40.1Very low169 Ų169134.3 Ų134.3100%1.39786%0.856SS**  cis-134.50-4.600000110.5

Retrieved 597 of 597 residues in 152.3 ms (Link to these results)