G4LXH6_SCHMA Loading...

Red protein (Ik factor) (Cytokine ik), putative

AlphaFold DB (A0A3Q0KBQ4), UniProt , Accession G4LXH6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 598 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M40.4Very low53.2Low232 Ų232148.3 Ų148.3100%1.14382%0.822SS**  062.70-76.1175.8176.300106.3
2T40.6Very low54Low118 Ų118150.3 Ų150.372%0.72483%0.829SS**  48.891.983.754.70000110.7
3D47.4Very low55Low138 Ų138145.2 Ų145.274%0.73882%0.818SS**  84.4111.292.7-67.5-27.4000110.3
4F53.4Low55.9Low186 Ų186143.4 Ų143.482%0.81682%0.815SS**  trans177.479.5153.8-113.9-77.8000111.5
5I56.1Low55.6Low178 Ų178145.3 Ų145.391%0.91382%0.822SS**  trans-143.291.1145.4-58.4-174.6000106.1
6E55Low55Low165 Ų165144.2 Ų144.277%0.77182%0.819SS**  trans-79.9140.4-176.3-147.9168.9-166.400110.5
7A54.7Low54.3Low81 Ų81146.3 Ų146.367%0.66982%0.817SS**  trans-70.7133.1-172.400000112.9S9A7-S9 VanDerWaalsContact C-N 3.31Å; A7-S9 PolarHBondContact O-N 2.73Å
8V47.1Very low54Low159 Ų159146.3 Ų146.396%0.96482%0.821SS**  trans-85.780.2158.2-1740000107.1
9S58.9Low53Low94 Ų94141.3 Ų141.366%0.65781%0.806SS**  trans-112128.4167.365.40000109A7A7-S9 VanDerWaalsContact C-N 3.31Å; A7-S9 PolarHBondContact O-N 2.73Å
10N62.4Low52.5Low154 Ų154142.5 Ų142.582%0.82480%0.803SS**  trans-45140.8178.7-79.1-17.9000112.3L12N10-L12 PolarHBondContact O-N 3.44Å
11P68.7Low52Low126 Ų126138.6 Ų138.682%0.81880%0.796SS**PPolyproline II helixtrans-63.7132.7-173.626.3-34.1000111.6
12L63.7Low52.2Low173 Ų173134.8 Ų134.891%0.90678%0.78SS**PPolyproline II helixtrans-65.1132.9173.1-161.771.2000109.6N10N10-L12 PolarHBondContact O-N 3.44Å
13A66Low52.3Low84 Ų84138 Ų13869%0.69478%0.784SS**PPolyproline II helixtrans-71.1148176.400000111.2
14P68.3Low52.4Low120 Ų120135.6 Ų135.678%0.77977%0.774SS**PPolyproline II helixtrans-72.2137.7-171.726.9-33.7000114.4V16P14-V16 VanDerWaalsContact C-N 3.31Å; P14-V16 PolarHBondContact O-N 3.43Å
15D50.7Low52.3Low171 Ų171134.4 Ų134.491%0.91478%0.777SS**SBendtrans-73.167.2174.8-92.3-23.8000112.5
16V46.1Very low52.3Low128 Ų128133.3 Ų133.378%0.77677%0.767SS**  trans-149.571.4167.9-155.90000112P14P14-V16 VanDerWaalsContact C-N 3.31Å; P14-V16 PolarHBondContact O-N 3.43Å
17F43.4Very low52.8Low180 Ų180135 Ų13579%0.78977%0.772SS**  trans-144.191.6154.9-150-95.9000110.9G19F17-G19 PolarHBondContact O-N 3Å
18V48.5Very low53.9Low146 Ų146135.3 Ų135.389%0.88576%0.762SS**  trans-72.4116.4166.81740000107.8
19G35.3Very low55.6Low51 Ų51130.6 Ų130.653%0.52674%0.736SS.*  trans99.874.115500000116.6F17F17-G19 PolarHBondContact O-N 3Å
20H44Very low56.5Low165 Ų165132.1 Ų132.176%0.76474%0.737SS**  -159.3113.8128.5-94.4-61.7000107.1
21G42Very low57.6Low62 Ų62127.6 Ų127.664%0.63972%0.717SS**  trans-54.2147.3-176.900000112.3F23G21-F23 PolarHBondContact O-N 3.13Å
22D43.5Very low58.3Low151 Ų151124.1 Ų124.181%0.80769%0.692SS**  trans-43.5101.1179.9-58.8-59.2000111.9T24D22-T24 HydrophobicContact CB-CG2 4.09Å; D22-T24 PolarHBondContact O-N 3.38Å
23F43.3Very low59.2Low186 Ų186120.9 Ų120.982%0.81667%0.671SS**  trans-70.569.7154.2-68.9-76000107.4G21 N25G21-F23 PolarHBondContact O-N 3.13Å; F23-N25 PolarHBondContact O-N 3.48Å
24T49.9Very low60.2Low87 Ų87125.4 Ų125.453%0.53467%0.67SS.*  trans-49.7134.1151.864.40000105.9D22 H26D22-T24 HydrophobicContact CB-CG2 4.09Å; D22-T24 PolarHBondContact O-N 3.38Å; T24-H26 PolarHBondContact O-N 3.33Å; T24-H26 PolarHBondContact OG1-ND1 2.86Å
25N49.9Very low60.9Low162 Ų162126.3 Ų126.387%0.86666%0.661SS**  trans-59.877.3174.1-75.9-64.8000109.3F23 K27F23-N25 PolarHBondContact O-N 3.48Å; N25-K27 VanDerWaalsContact C-N 3.34Å; N25-K27 PolarHBondContact O-N 3.4Å
26H56.3Low62.4Low154 Ų154123.4 Ų123.471%0.71365%0.646SS**  trans-74.595.5178-115.940.8000105.4T24 L28T24-H26 PolarHBondContact O-N 3.33Å; T24-H26 PolarHBondContact OG1-ND1 2.86Å; H26-L28 VanDerWaalsContact C-N 3.3Å; H26-L28 PolarHBondContact O-N 3Å
27K65.9Low64.1Low201 Ų201123.8 Ų123.887%0.87464%0.643SS**  trans-56.3101167.2-66-174.6179.7-166.90106.6N25 S29N25-K27 VanDerWaalsContact C-N 3.34Å; N25-K27 PolarHBondContact O-N 3.4Å; K27-S29 PolarHBondContact O-N 2.79Å; K27-S29 VanDerWaalsContact O-N 3.15Å
28L77.5Confident65.9Low88 Ų88122.8 Ų122.846%0.46164%0.642SS.*  trans-49120.9179.8-71.6161.7000109H26 D32 F33H26-L28 VanDerWaalsContact C-N 3.3Å; H26-L28 PolarHBondContact O-N 3Å; L28-D32 HydrophobicContact CB-CB 4.39Å; L28-D32 HydrophobicContact CD2-CB 3.72Å; L28-F33 HydrophobicContact CB-CD2 3.88Å; L28-F33 HydrophobicContact CB-CE2 3.54Å; L28-F33 HydrophobicContact CB-CZ 4.26Å; L28-F33 HydrophobicContact CD1-CE2 4.17Å; L28-F33 HydrophobicContact CD1-CZ 4.05Å
29S82.5Confident67.1Low60 Ų60120 Ų12042%0.4263%0.626SS.*  trans-63.6154.6171.7163.50000109.5K27 S31 D32 F33K27-S29 PolarHBondContact O-N 2.79Å; K27-S29 VanDerWaalsContact O-N 3.15Å; S29-S31 WeakPolarHBondContact CB-OG 3.49Å; S29-S31 PolarHBondContact O-N 3.26Å; S29-S31 PolarHBondContact OG-N 2.85Å; S29-S31 VanDerWaalsContact OG-N 3.16Å; S29-S31 PolarHBondContact OG-OG 3.36Å; S29-D32 PolarHBondContact O-N 3.42Å; S29-F33 PolarHBondContact O-N 3.42Å
30N79.3Confident68.6Low125 Ų125123.3 Ų123.367%0.66864%0.638SS**Hα-helixtrans-52.5-24.8170-88.3-3.5000112.6R34N30-R34 VanDerWaalsContact O-CG 3.31Å; N30-R34 WeakPolarHBondContact O-CG 3.49Å; N30-R34 PolarHBondContact O-N 2.84Å
31S84.9Confident69.3Low59 Ų59125 Ų12541%0.41364%0.643SS.*Hα-helixtrans-69-34.9172.759.90000113.6S29 R34 K35S29-S31 WeakPolarHBondContact CB-OG 3.49Å; S29-S31 PolarHBondContact O-N 3.26Å; S29-S31 PolarHBondContact OG-N 2.85Å; S29-S31 VanDerWaalsContact OG-N 3.16Å; S29-S31 PolarHBondContact OG-OG 3.36Å; S31-R34 PolarHBondContact O-N 2.77Å; S31-K35 WeakPolarHBondContact O-CG 3.4Å; S31-K35 PolarHBondContact O-N 3.22Å; S31-K35 VanDerWaalsContact O-N 3.1Å
32D83.1Confident69.9Low54 Ų54127.7 Ų127.729%0.28965%0.649SS.*Hα-helixtrans-78.7-33.7-180-70.9-25.8000111.7L28 S29 R34 K35 L36L28-D32 HydrophobicContact CB-CB 4.39Å; L28-D32 HydrophobicContact CD2-CB 3.72Å; S29-D32 PolarHBondContact O-N 3.42Å; D32-R34 VanDerWaalsContact C-N 3.31Å; D32-R34 PolarHBondContact O-N 2.86Å; D32-K35 PolarHBondContact O-N 3.33Å; D32-K35 IonicContact OD1-NZ 3.67Å; D32-L36 WeakPolarHBondContact O-CB 3.18Å; D32-L36 PolarHBondContact O-N 2.96Å
33F82.2Confident70.2Confident105 Ų105125.6 Ų125.646%0.46165%0.646SS.*Hα-helixtrans-61.6-39.3168-84.6-76.5000112.2L28 S29 L36 L37L28-F33 HydrophobicContact CB-CD2 3.88Å; L28-F33 HydrophobicContact CB-CE2 3.54Å; L28-F33 HydrophobicContact CB-CZ 4.26Å; L28-F33 HydrophobicContact CD1-CE2 4.17Å; L28-F33 HydrophobicContact CD1-CZ 4.05Å; S29-F33 PolarHBondContact O-N 3.42Å; F33-L36 PolarHBondContact O-N 3.39Å; F33-L37 WeakPolarHBondContact O-CB 3.44Å; F33-L37 WeakPolarHBondContact O-CG 3.06Å; F33-L37 PolarHBondContact O-N 2.78Å
34R87.3Confident70.4Confident179 Ų179123.3 Ų123.368%0.67565%0.647SS**Hα-helixtrans-63.6-40.3173.7-73.8173.9-174.4-179.51.6111.9N30 S31 D32 L37 M38N30-R34 VanDerWaalsContact O-CG 3.31Å; N30-R34 WeakPolarHBondContact O-CG 3.49Å; N30-R34 PolarHBondContact O-N 2.84Å; S31-R34 PolarHBondContact O-N 2.77Å; D32-R34 VanDerWaalsContact C-N 3.31Å; D32-R34 PolarHBondContact O-N 2.86Å; R34-L37 PolarHBondContact O-N 3.3Å; R34-M38 WeakPolarHBondContact O-CB 3.24Å; R34-M38 WeakPolarHBondContact O-CG 3.28Å; R34-M38 PolarHBondContact O-N 2.86Å; R34-M38 VanDerWaalsContact O-N 3.11Å
35K84.1Confident70.3Confident138 Ų138127.3 Ų127.360%0.666%0.66SS**Hα-helixtrans-63.4-44174.4-73.2175.7-178172.20111.6S31 D32 L37 M38 T39S31-K35 WeakPolarHBondContact O-CG 3.4Å; S31-K35 PolarHBondContact O-N 3.22Å; S31-K35 VanDerWaalsContact O-N 3.1Å; D32-K35 PolarHBondContact O-N 3.33Å; D32-K35 IonicContact OD1-NZ 3.67Å; K35-L37 VanDerWaalsContact C-N 3.32Å; K35-L37 PolarHBondContact O-N 3.41Å; K35-M38 PolarHBondContact O-N 3.47Å; K35-M38 VanDerWaalsContact O-N 3.13Å; K35-T39 WeakPolarHBondContact O-CG2 3.14Å; K35-T39 PolarHBondContact O-N 3.01Å; K35-T39 PolarHBondContact O-OG1 2.94Å
36L81.3Confident69.9Low111 Ų111125.1 Ų125.158%0.58166%0.655SS**Hα-helixtrans-67.2-31.4-178.9-159.3145000112.7D32 F33 T39D32-L36 WeakPolarHBondContact O-CB 3.18Å; D32-L36 PolarHBondContact O-N 2.96Å; F33-L36 PolarHBondContact O-N 3.39Å; L36-T39 WeakPolarHBondContact CA-OG1 3.25Å; L36-T39 PolarHBondContact O-OG1 2.79Å
37L81.2Confident69Low136 Ų136122.8 Ų122.871%0.71266%0.656SS**Hα-helixtrans-75.7-26.7172.5-77164.7000113.5F33 R34 K35F33-L37 WeakPolarHBondContact O-CB 3.44Å; F33-L37 WeakPolarHBondContact O-CG 3.06Å; F33-L37 PolarHBondContact O-N 2.78Å; R34-L37 PolarHBondContact O-N 3.3Å; K35-L37 VanDerWaalsContact C-N 3.32Å; K35-L37 PolarHBondContact O-N 3.41Å
38M81.3Confident67.8Low158 Ų158123.2 Ų123.278%0.77866%0.658SS**Hα-helixtrans-90.2-14.7179-66-68.8144.200112.8R34 K35 P40R34-M38 WeakPolarHBondContact O-CB 3.24Å; R34-M38 WeakPolarHBondContact O-CG 3.28Å; R34-M38 PolarHBondContact O-N 2.86Å; R34-M38 VanDerWaalsContact O-N 3.11Å; K35-M38 PolarHBondContact O-N 3.47Å; K35-M38 VanDerWaalsContact O-N 3.13Å; M38-P40 WeakPolarHBondContact O-CD 3.27Å
39T75Confident66Low88 Ų88124.7 Ų124.754%0.5467%0.67SS.*SBendtrans-78116.9171.944.40000110.2K35 L36 K41K35-T39 WeakPolarHBondContact O-CG2 3.14Å; K35-T39 PolarHBondContact O-N 3.01Å; K35-T39 PolarHBondContact O-OG1 2.94Å; L36-T39 WeakPolarHBondContact CA-OG1 3.25Å; L36-T39 PolarHBondContact O-OG1 2.79Å; T39-K41 PolarHBondContact O-N 3.39Å
40P66.8Low64Low121 Ų121128.4 Ų128.479%0.78669%0.685SS**PPolyproline II helixtrans-64.3125.9178.225.5-31.8000110M38M38-P40 WeakPolarHBondContact O-CD 3.27Å
41K58.9Low62.3Low201 Ų201130.6 Ų130.687%0.87469%0.691SS**PPolyproline II helixtrans-59.3129.8177.5-111.1177.3169.5175.20110.2T39 S43T39-K41 PolarHBondContact O-N 3.39Å; K41-S43 PolarHBondContact O-N 3.38Å
42P53.1Low60.2Low117 Ų117133.3 Ų133.376%0.7671%0.705SS**PPolyproline II helixtrans-70.1127.1171.228.2-31.1000109.8V44P42-V44 PolarHBondContact O-N 3.38Å
43S51.2Low58.3Low107 Ų107138.5 Ų138.575%0.74873%0.728SS**PPolyproline II helixtrans-63.3121.2172.1175.30000109.9K41 Q45K41-S43 PolarHBondContact O-N 3.38Å; S43-Q45 PolarHBondContact O-N 2.81Å
44V46.5Very low56.3Low138 Ų138140.8 Ų140.884%0.83674%0.74SS**  trans-79.8109.8171.8177.10000107.8P42P42-V44 PolarHBondContact O-N 3.38Å
45Q48.7Very low53.8Low171 Ų171139 Ų13980%0.79975%0.749SS**  trans-101.3136.2162.2-74.3-164.5-19.500109.6S43S43-Q45 PolarHBondContact O-N 2.81Å
46P41.7Very low51.6Low117 Ų117135.7 Ų135.776%0.7675%0.754SS**  trans-77.5129.3178.930.5-31.2000111.3
47S36.1Very low49.6Very low105 Ų105136 Ų13673%0.73476%0.76SS**  trans-18.9122161.454.70000116.6
48K41.9Very low47.6Very low210 Ų210140.2 Ų140.291%0.91377%0.767SS**  -141.9137.8129.8-71.5-162.8-179.9174.40110.7
49T39.8Very low45.7Very low119 Ų119140.5 Ų140.573%0.7377%0.77SS**  trans-65.2157.7-171450000115.6
50D39.3Very low44.2Very low137 Ų137141 Ų14173%0.73378%0.777SS**  trans108.7111.5142.4-64.1-25.4000120.6
51E43.1Very low43.2Very low171 Ų171140.8 Ų140.880%0.79977%0.774SS**  trans77.7105.7135.9-59.7-164.3164.400122.8
52V41.9Very low42.5Very low116 Ų116139 Ų13970%0.70377%0.768SS**  24.4110.3126.1-150.30000117.8
53H42.3Very low41.8Very low164 Ų164140.9 Ų140.976%0.75977%0.767SS**  174.8148.6106.3-105.3-77.5000113.8
54E39.9Very low41.4Very low152 Ų152141 Ų14171%0.7176%0.758SS**  trans-42.4150.2174.5-83173.6141.700120.4
55T36.5Very low41.2Very low141 Ų141140.5 Ų140.587%0.86575%0.747SS**  trans74.9125.7140.161.60000119.9
56G38.2Very low40.9Very low69 Ų69141.5 Ų141.571%0.71174%0.743SS**  trans16266.416400000117.7
57T38.9Very low41Very low117 Ų117140.3 Ų140.372%0.71874%0.738SS**  trans34.9120.6140.432.90000123
58R37.5Very low41.3Very low225 Ų225141.4 Ų141.485%0.84974%0.735SS**  75.5127.9126.5-65.3173.4-176.3-173.62.1120.3
59I42Very low41.3Very low165 Ų165141.6 Ų141.685%0.84673%0.73SS**  170.2104.5120.5-79.7151000107.6
60S44.9Very low41.5Very low99 Ų99142.8 Ų142.869%0.69273%0.731SS**  64.3117.9108.7-150.40000115.3
61T44.5Very low41.6Very low116 Ų116147 Ų14771%0.71274%0.736SS**  -178.2141.775.132.80000112.5
62H45.2Very low41.5Very low164 Ų164147.9 Ų147.976%0.75974%0.74SS**  trans57.8132149.1-85.3-90.7000120.6
63H38.1Very low41.4Very low156 Ų156150 Ų15072%0.72275%0.747SS**  cis-163.6120.434.1171.9-78.7000112.8
64L43.6Very low41.3Very low108 Ų108147 Ų14757%0.56574%0.743SS**  trans31.1118140.2-76.499.4000120.9
65E42.1Very low41.3Very low128 Ų128144.4 Ų144.460%0.59874%0.741SS**  80.3138.381.8-89.1-157.1138.900112.4
66R42.1Very low42Very low193 Ų193145.7 Ų145.773%0.72874%0.737SS**  cis-167.2135.929.9-113.2156.2-177.5173.413107.6
67S43.4Very low42.1Very low92 Ų92147.4 Ų147.464%0.64374%0.735SS**  69.4130.987.3-44.30000112.4
68D42.4Very low42.3Very low128 Ų128147 Ų14768%0.68473%0.732SS**  cis-168.4130.147-87.6-52.6000108.7
69R41.5Very low42.7Very low213 Ų213144.3 Ų144.380%0.80473%0.729SS**  78140.382.7-77.8-171.8-175.5-1683.5116.4
70I44.3Very low42.4Very low144 Ų144147.6 Ų147.674%0.73873%0.73SS**  trans86.2127155.1-62.1146.3000114.1
71R42.2Very low42.4Very low227 Ų227146.9 Ų146.986%0.85773%0.725SS**  cis-165128.421-116.4158.9-170.3-156.7-0.4108.1
72Q39.8Very low42.4Very low189 Ų189149.7 Ų149.788%0.88373%0.728SS**  23.1117.3107-93.4-179.1-1.900118.4
73D40.7Very low42.1Very low159 Ų159149 Ų14985%0.8573%0.725SS**  trans-156.7130.5131.2-149.71.6000111
74P40.1Very low42.1Very low103 Ų103151.2 Ų151.267%0.66973%0.732SS**  trans-107.5160.9169.436.4-25.3000112.3
75S40.1Very low42.1Very low96 Ų96152.6 Ų152.667%0.67174%0.738SS**  trans120.3128.4152.384.40000116.7
76Q49.8Very low41.8Very low168 Ų168151.1 Ų151.179%0.78574%0.742SS**  trans73.2133.2150.7-63-179.981.900116.8
77T41Very low41.8Very low106 Ų106149.7 Ų149.765%0.6574%0.744SS**  cis-176148.31221.30000106.8
78T42.8Very low41.5Very low107 Ų107155 Ų15566%0.65676%0.755SS**  trans58119.915361.50000117.3
79H45.6Very low41.4Very low170 Ų170159.8 Ų159.879%0.78776%0.764SS**  -158.5121.973.1-62.8-73.4000108.2
80R37.1Very low41Very low234 Ų234158 Ų15888%0.88376%0.764SS**  58.1121.396.9-168-174.6168.9-166.9-3.8112.3
81S44.8Very low40.7Very low83 Ų83159.9 Ų159.958%0.5877%0.769SS**  cis-169.1149.1-6.357.80000106.3
82K42.9Very low40.5Very low176 Ų176155.2 Ų155.277%0.76577%0.766SS**  45.4135.1127.4-62.7178.9-176.5-173.80118.6
83H40.1Very low40.7Very low150 Ų150157.5 Ų157.569%0.69477%0.766SS**  cis-166.1139.529.9-112.3-66.5000108.2
84K38.3Very low41Very low201 Ų201155 Ų15587%0.87476%0.761SS**  trans-67.2130.3149.6-75.1174.7173.5177.40107.6
85I43.1Very low41.1Very low137 Ų137160.2 Ų160.270%0.70377%0.773SS**  trans-124.3100157.5-71.3161.4000106.9
86S35.7Very low41.1Very low98 Ų98164 Ų16469%0.68578%0.778SS**  trans-63.7133.5151.4540000109
87H41.6Very low40.8Very low162 Ų162163.7 Ų163.775%0.7578%0.781SS**  trans-17097.8146.8-73.9-50.7000107
88K37.6Very low40.8Very low205 Ų205163.1 Ų163.189%0.89178%0.778SS**  34.790.490-81.4-175.3178.5177.80114.1
89R39.5Very low40.7Very low227 Ų227165 Ų16586%0.85778%0.779SS**  trans-144.3103.5148.7-75.2-168.2165.8-176.5-5.2108
90H33Very low40.5Very low177 Ų177166.6 Ų166.682%0.81978%0.784SS**  66.675105-83-77.5000113.7
91H39.5Very low40.7Very low183 Ų183160.8 Ų160.885%0.84778%0.776SS**  trans-102.7100151.3-92.7-62.3000109.8R93H91-R93 PolarHBondContact O-N 3.46Å; H91-R93 VanDerWaalsContact O-N 3.08Å
92V38Very low40.5Very low128 Ų128163.1 Ų163.178%0.77678%0.783SS**  trans-52.3101.5152.7173.40000106.7S94V92-S94 PolarHBondContact O-N 2.9Å
93R43.3Very low40.5Very low237 Ų237163.2 Ų163.289%0.89479%0.789SS**  trans-84.1102.6172.6-125.4177.9177.3-173.7-1.4107.8H91 K95H91-R93 PolarHBondContact O-N 3.46Å; H91-R93 VanDerWaalsContact O-N 3.08Å; R93-K95 PolarHBondContact O-N 3.42Å
94S46.7Very low40.7Very low106 Ų106160.7 Ų160.774%0.74179%0.789SS**  trans-43.6124167.319.40000111.4V92 K96V92-S94 PolarHBondContact O-N 2.9Å; S94-K96 PolarHBondContact O-N 2.85Å; S94-K96 VanDerWaalsContact O-N 3.16Å
95K42.1Very low40.9Very low214 Ų214159.9 Ų159.993%0.9379%0.788SS**  trans-71.991.1165.2-73-175.9173.1-178.30108.7R93R93-K95 PolarHBondContact O-N 3.42Å
96K41.2Very low40.9Very low175 Ų175158.5 Ų158.576%0.76179%0.791SS**  trans-163.493.7161.3-149.8155.3-178175.60110.9S94S94-K96 PolarHBondContact O-N 2.85Å; S94-K96 VanDerWaalsContact O-N 3.16Å
97D42.8Very low41.3Very low161 Ų161159 Ų15986%0.86179%0.79SS**  trans-173.766.9159.6-91.6-21.1000104.7
98T41.4Very low41.2Very low94 Ų94160.4 Ų160.458%0.57780%0.796SS**  35.899.687.843.90000115
99Q40.4Very low42.2Very low148 Ų148161.8 Ų161.869%0.69280%0.796SS**  52.387.6120.2-65.9173.8-15.300115.7
100K41.4Very low43.1Very low203 Ų203161.9 Ų161.988%0.88380%0.798SS**  trans-123.4117.1147.2-76.8-173.3176.3-177.20107.3
101P42Very low45.2Very low111 Ų111161.5 Ų161.572%0.72179%0.789SS**  trans-77.9131.6173.831.4-29000110
102D40.8Very low46.7Very low133 Ų133157 Ų15771%0.71177%0.772SS**SBendtrans34.593144.4-54.4-22.8000118.9
103I42.8Very low48.5Very low177 Ų177157.8 Ų157.891%0.90876%0.761SS**SBendtrans-152.83.5151.9-98.8143.7000113
104S43Very low49.9Very low98 Ų98149.2 Ų149.269%0.68574%0.74SS**  trans-125.546.2-177.675.60000113.7S106S104-S106 PolarHBondContact O-N 3.04Å
105E43.8Very low51.5Low183 Ų183149.7 Ų149.786%0.85573%0.729SS**THydrogen-bonded Turntrans-82.377.6169.8-77.6-169.5140.500110.9
106S42.1Very low53Low109 Ų109141.4 Ų141.476%0.76269%0.694SS**THydrogen-bonded Turntrans-1632.6162.5570000114.9S104S104-S106 PolarHBondContact O-N 3.04Å
107T43.8Very low54.6Low108 Ų108141.3 Ų141.366%0.66369%0.688SS**SBendtrans-106.1113.5178.258.20000110.1R109T107-R109 PolarHBondContact O-N 3.34Å
108H40.5Very low56.3Low192 Ų192143.7 Ų143.789%0.88969%0.685SS**  trans-50.5103.9-176.6-74.2-78.9000112.4
109R58.8Low58Low233 Ų233143.7 Ų143.788%0.87968%0.682SS**  trans-83.2123.8168.9-69.9-107.4-86-112.1-4.9108.6T107 R111T107-R109 PolarHBondContact O-N 3.34Å; R109-R111 PolarHBondContact O-N 2.65Å
110Y57.8Low59.1Low230 Ų230139.7 Ų139.790%0.90268%0.68SS**  trans-52.1128.4172.7-72.7-81.9000110.6D112Y110-D112 PolarHBondContact O-N 3.38Å; Y110-D112 VanDerWaalsContact O-N 3.12Å
111R76.4Confident60.2Low169 Ų169138.2 Ų138.264%0.63867%0.674SS**  trans-60.9111.7174.6-176.5171.6167135.14.5109.4R109 R113 E116R109-R111 PolarHBondContact O-N 2.65Å; R111-R113 VanDerWaalsContact C-N 3.26Å; R111-R113 PolarHBondContact O-N 3.2Å; R111-E116 VanDerWaalsContact CG-OE1 3.23Å; R111-E116 WeakPolarHBondContact CG-OE1 3.4Å; R111-E116 IonicContact CZ-OE1 2.63Å; R111-E116 IonicContact CZ-OE2 3.17Å; R111-E116 VanDerWaalsContact CZ-OE2 3.27Å; R111-E116 IonicContact NE-OE1 3.22Å; R111-E116 PolarHBondContact NE-OE1 3.14Å; R111-E116 IonicContact NE-OE2 2.83Å; R111-E116 PolarHBondContact NE-OE2 2.83Å; R111-E116 VanDerWaalsContact NH2-CD 3.31Å; R111-E116 IonicContact NH2-OE1 3.06Å; R111-E116 PolarHBondContact NH2-OE1 2.89Å; R111-E116 IonicContact NH2-OE2 3.21Å; R111-E116 PolarHBondContact NH2-OE2 3.32Å
112D70.5Confident60.6Low89 Ų89136.3 Ų136.348%0.47666%0.657SS.*  trans-72.182.3179.1-173.3-8.6000110.6Y110 A114 K115 E116Y110-D112 PolarHBondContact O-N 3.38Å; Y110-D112 VanDerWaalsContact O-N 3.12Å; D112-A114 PolarHBondContact O-N 3.08Å; D112-A114 WeakPolarHBondContact OD1-CA 3.34Å; D112-A114 WeakPolarHBondContact OD1-CB 3.35Å; D112-A114 PolarHBondContact OD1-N 3.44Å; D112-K115 HydrophobicContact CB-CB 3.95Å; D112-K115 PolarHBondContact O-N 3.1Å; D112-K115 VanDerWaalsContact O-N 3.15Å; D112-K115 PolarHBondContact OD1-N 3.4Å; D112-K115 VanDerWaalsContact OD2-CB 3.31Å; D112-K115 WeakPolarHBondContact OD2-CB 3.37Å; D112-E116 PolarHBondContact O-N 3.28Å
113R77.5Confident61.1Low144 Ų144136.3 Ų136.354%0.54366%0.662SS.*Hα-helixtrans-63.6-18.6177.7-158.7174.9-74.9-141-0.9112R111 R117 L122R111-R113 VanDerWaalsContact C-N 3.26Å; R111-R113 PolarHBondContact O-N 3.2Å; R113-R117 VanDerWaalsContact O-CG 3.26Å; R113-R117 WeakPolarHBondContact O-CG 3.21Å; R113-R117 PolarHBondContact O-N 2.88Å; R113-L122 HydrophobicContact CG-CD1 4.01Å
114A72.2Confident61.4Low57 Ų57131.3 Ų131.347%0.47165%0.647SS.*Hα-helixtrans-79.9-35.9175.700000111.6D112 R118D112-A114 PolarHBondContact O-N 3.08Å; D112-A114 WeakPolarHBondContact OD1-CA 3.34Å; D112-A114 WeakPolarHBondContact OD1-CB 3.35Å; D112-A114 PolarHBondContact OD1-N 3.44Å; A114-R118 PolarHBondContact O-N 2.81Å
115K80.7Confident61.3Low115 Ų115133.1 Ų133.150%0.566%0.656SS.*Hα-helixtrans-67.3-43.2169.3-176.8177.9-175-62.50111.9D112 R117 R118 D119D112-K115 HydrophobicContact CB-CB 3.95Å; D112-K115 PolarHBondContact O-N 3.1Å; D112-K115 VanDerWaalsContact O-N 3.15Å; D112-K115 PolarHBondContact OD1-N 3.4Å; D112-K115 VanDerWaalsContact OD2-CB 3.31Å; D112-K115 WeakPolarHBondContact OD2-CB 3.37Å; K115-R117 VanDerWaalsContact C-N 3.28Å; K115-R117 PolarHBondContact O-N 3.07Å; K115-R118 WeakPolarHBondContact O-CA 3.45Å; K115-R118 WeakPolarHBondContact O-CB 3.4Å; K115-R118 PolarHBondContact O-N 2.94Å; K115-D119 WeakPolarHBondContact CG-OD2 3.34Å; K115-D119 IonicContact NZ-OD2 2.65Å; K115-D119 PolarHBondContact NZ-OD2 2.66Å; K115-D119 WeakPolarHBondContact O-CB 3.42Å; K115-D119 PolarHBondContact O-N 3.01Å
116E73.4Confident61.1Low41 Ų41129.4 Ų129.419%0.19265%0.646CS.*Hα-helixtrans-63.7-31.2177-69177.8178.300113.5R111 D112 G120 K121 L122R111-E116 VanDerWaalsContact CG-OE1 3.23Å; R111-E116 WeakPolarHBondContact CG-OE1 3.4Å; R111-E116 IonicContact CZ-OE1 2.63Å; R111-E116 IonicContact CZ-OE2 3.17Å; R111-E116 VanDerWaalsContact CZ-OE2 3.27Å; R111-E116 IonicContact NE-OE1 3.22Å; R111-E116 PolarHBondContact NE-OE1 3.14Å; R111-E116 IonicContact NE-OE2 2.83Å; R111-E116 PolarHBondContact NE-OE2 2.83Å; R111-E116 VanDerWaalsContact NH2-CD 3.31Å; R111-E116 IonicContact NH2-OE1 3.06Å; R111-E116 PolarHBondContact NH2-OE1 2.89Å; R111-E116 IonicContact NH2-OE2 3.21Å; R111-E116 PolarHBondContact NH2-OE2 3.32Å; D112-E116 PolarHBondContact O-N 3.28Å; E116-G120 PolarHBondContact O-N 3.44Å; E116-K121 PolarHBondContact O-N 2.82Å; E116-L122 HydrophobicContact CB-CD1 3.8Å; E116-L122 HydrophobicContact CB-CG 4.02Å
117R74.6Confident61.2Low172 Ų172133.8 Ų133.865%0.64966%0.655SS**Hα-helixtrans-72.3-30.3170.7-74-179.4-175130.9-4.1112.8R113 K115 L122R113-R117 VanDerWaalsContact O-CG 3.26Å; R113-R117 WeakPolarHBondContact O-CG 3.21Å; R113-R117 PolarHBondContact O-N 2.88Å; K115-R117 VanDerWaalsContact C-N 3.28Å; K115-R117 PolarHBondContact O-N 3.07Å; R117-L122 HydrophobicContact CB-CD1 4.35Å; R117-L122 HydrophobicContact CG-CD1 3.37Å
118R78.4Confident60.7Low211 Ų211137.1 Ų137.180%0.79666%0.663SS**Hα-helixtrans-78.4-38178.7-165.7-178-59.4-176.43.6112A114 K115 G120A114-R118 PolarHBondContact O-N 2.81Å; K115-R118 WeakPolarHBondContact O-CA 3.45Å; K115-R118 WeakPolarHBondContact O-CB 3.4Å; K115-R118 PolarHBondContact O-N 2.94Å; R118-G120 PolarHBondContact O-N 2.96Å
119D76.1Confident60.7Low94 Ų94130.7 Ų130.750%0.50364%0.637SS.*THydrogen-bonded Turntrans-83.26.1178.1-66-15.6000112.4K115 K121K115-D119 WeakPolarHBondContact CG-OD2 3.34Å; K115-D119 IonicContact NZ-OD2 2.65Å; K115-D119 PolarHBondContact NZ-OD2 2.66Å; K115-D119 WeakPolarHBondContact O-CB 3.42Å; K115-D119 PolarHBondContact O-N 3.01Å; D119-K121 PolarHBondContact O-N 3.11Å; D119-K121 VanDerWaalsContact O-N 3.15Å
120G63.8Low59.8Low64 Ų64127.5 Ų127.566%0.6663%0.632SS**THydrogen-bonded Turntrans66.713.7176.100000115.3E116 R118 L122E116-G120 PolarHBondContact O-N 3.44Å; R118-G120 PolarHBondContact O-N 2.96Å; G120-L122 PolarHBondContact O-N 3.5Å
121K64.8Low59Low172 Ų172124.8 Ų124.875%0.74863%0.627SS**  trans-88.55.7-170.2-122173.1-177.6-172.60114.7E116 D119 V123E116-K121 PolarHBondContact O-N 2.82Å; D119-K121 PolarHBondContact O-N 3.11Å; D119-K121 VanDerWaalsContact O-N 3.15Å; K121-V123 PolarHBondContact O-N 3.24Å
122L51.4Low57.4Low72 Ų72122.9 Ų122.938%0.37763%0.626SS.*  trans-99.283.7177.3-85.2159.7000111.1R113 E116 R117 G120R113-L122 HydrophobicContact CG-CD1 4.01Å; E116-L122 HydrophobicContact CB-CD1 3.8Å; E116-L122 HydrophobicContact CB-CG 4.02Å; R117-L122 HydrophobicContact CB-CD1 4.35Å; R117-L122 HydrophobicContact CG-CD1 3.37Å; G120-L122 PolarHBondContact O-N 3.5Å
123V49.8Very low56.3Low133 Ų133126.9 Ų126.981%0.80663%0.634SS**  trans-71.7132.7153.2177.40000107.5K121K121-V123 PolarHBondContact O-N 3.24Å
124A49.5Very low54.7Low71 Ų71127.4 Ų127.459%0.58764%0.643SS**  trans-60148-17300000112.6T126A124-T126 PolarHBondContact O-N 3.37Å
125P41.1Very low53.5Low137 Ų137129.3 Ų129.389%0.8964%0.644SS**  trans-69.2101.9175.3-6.622.9000108.9
126T39Very low51.9Low104 Ų104131.1 Ų131.164%0.63865%0.654SS**  trans-107.2126.7166-31.30000105.6A124 E128A124-T126 PolarHBondContact O-N 3.37Å; T126-E128 PolarHBondContact O-N 3.29Å
127E44.2Very low50.6Low201 Ų201135 Ų13594%0.93968%0.676SS**THydrogen-bonded Turntrans-69.745.5-168.6-62.4-172.6151.900114.2
128E35.3Very low49.3Very low179 Ų179130.1 Ų130.184%0.83666%0.663SS**THydrogen-bonded Turntrans-145.312.7-179.7-64.2-172.2172.300113.5T126T126-E128 PolarHBondContact O-N 3.29Å
129V40.1Very low47.9Very low56 Ų56124.7 Ų124.734%0.33965%0.65SS.*  trans-130.952.3-169.5-163.50000112.4E132V129-E132 HydrophobicContact CG1-CB 3.75Å; V129-E132 HydrophobicContact CG1-CG 3.95Å; V129-E132 VanDerWaalsContact CG1-OE2 3.27Å; V129-E132 WeakPolarHBondContact CG1-OE2 3.33Å
130E39.4Very low46.7Very low167 Ų167126.5 Ų126.578%0.7866%0.66SS**SBendtrans-94.3-9.5164.4-74.3-172.3158.600112.6
131E40.9Very low46.2Very low173 Ų173127.5 Ų127.581%0.80865%0.653SS**SBendtrans-93.4-13.7179.1-67.6-174.7166.400114.3
132E43.6Very low45.5Very low129 Ų129124.7 Ų124.760%0.60365%0.646SS**SBendtrans-93.3-14.8-175.8-62.9-175.9162.400114.4V129 I135V129-E132 HydrophobicContact CG1-CB 3.75Å; V129-E132 HydrophobicContact CG1-CG 3.95Å; V129-E132 VanDerWaalsContact CG1-OE2 3.27Å; V129-E132 WeakPolarHBondContact CG1-OE2 3.33Å; E132-I135 PolarHBondContact O-N 3.28Å
133R45.9Very low45.8Very low172 Ų172126 Ų12665%0.64966%0.657SS**THydrogen-bonded Turntrans-86.1-7.1178.8-80.6-164.3-70.5-95.7-5.2114.5I135R133-I135 VanDerWaalsContact C-N 3.34Å
134E44.1Very low46.2Very low155 Ų155130.4 Ų130.472%0.72466%0.659SS**THydrogen-bonded Turntrans-88.2-6.3169.6-65.5-170.1166.500112.3
135I46.6Very low46.5Very low98 Ų98131.3 Ų131.350%0.50366%0.657SS.*THydrogen-bonded Turntrans-88.6-31.2-176.4-54.2177.7000111.9E132 R133 N137 D138E132-I135 PolarHBondContact O-N 3.28Å; R133-I135 VanDerWaalsContact C-N 3.34Å; I135-N137 PolarHBondContact O-N 2.8Å; I135-D138 PolarHBondContact O-N 3.29Å; I135-D138 VanDerWaalsContact O-N 3.1Å
136E47.2Very low47.1Very low153 Ų153127.8 Ų127.872%0.71564%0.64SS**THydrogen-bonded Turntrans-71.1-15.3-178.9-73.3-175.6161.100114.1
137N47.2Very low47.7Very low121 Ų121129.8 Ų129.865%0.64765%0.647SS**THydrogen-bonded Turntrans-93.2-7.2173.2-64.9-55.8000112.9I135 T141I135-N137 PolarHBondContact O-N 2.8Å; N137-T141 PolarHBondContact O-OG1 3.26Å
138D46.6Very low48Very low70 Ų70131 Ų13137%0.37464%0.644SS.*THydrogen-bonded Turntrans-88.3-18.5177.5-95.7-7.2000112.2I135 T141 L142I135-D138 PolarHBondContact O-N 3.29Å; I135-D138 VanDerWaalsContact O-N 3.1Å; D138-T141 PolarHBondContact O-N 3.4Å; D138-L142 WeakPolarHBondContact O-CB 3.42Å; D138-L142 PolarHBondContact O-N 3.36Å
139D49.3Very low48.8Very low97 Ų97130.9 Ų130.952%0.51964%0.636SS.*Hα-helixtrans-69.2-37.7179.1-85.8-27.5000112.9T141 L142 T143D139-T141 PolarHBondContact O-N 3.46Å; D139-L142 PolarHBondContact O-N 3.18Å; D139-T143 PolarHBondContact O-N 2.97Å; D139-T143 VanDerWaalsContact O-N 3.09Å; D139-T143 PolarHBondContact O-OG1 3.12Å
140D51.3Low49.4Very low133 Ų133133.1 Ų133.171%0.71166%0.66SS**Hα-helixtrans-71.3-22.6173.9-77.5-25.9000112.3
141T52.8Low49.7Very low84 Ų84131.4 Ų131.452%0.51566%0.661SS.*Hα-helixtrans-85.4-33.2177.5-39.80000111.7N137 D138 D139 T145N137-T141 PolarHBondContact O-OG1 3.26Å; D138-T141 PolarHBondContact O-N 3.4Å; D139-T141 PolarHBondContact O-N 3.46Å; T141-T145 PolarHBondContact O-OG1 3.26Å
142L51.3Low49.9Very low114 Ų114127.5 Ų127.560%0.59766%0.658SS**Hα-helixtrans-70-34.5172.8-11570.4000112.4D138 D139 T145 A146D138-L142 WeakPolarHBondContact O-CB 3.42Å; D138-L142 PolarHBondContact O-N 3.36Å; D139-L142 PolarHBondContact O-N 3.18Å; L142-T145 PolarHBondContact O-OG1 3.24Å; L142-A146 PolarHBondContact O-N 3.38Å
143T57.7Low50.5Low99 Ų99125.5 Ų125.561%0.60766%0.657SS**Hα-helixtrans-74.1-29.6-179-44.70000112.1D139 T145D139-T143 PolarHBondContact O-N 2.97Å; D139-T143 VanDerWaalsContact O-N 3.09Å; D139-T143 PolarHBondContact O-OG1 3.12Å; T143-T145 VanDerWaalsContact C-N 3.28Å; T143-T145 PolarHBondContact O-N 3.46Å
144R57.9Low50.2Low225 Ų225122.2 Ų122.285%0.84966%0.66SS**THydrogen-bonded Turntrans-76.5-10179.1-138.5177.889.9-176.75.2114.8
145T55.8Low50.3Low91 Ų91121.4 Ų121.456%0.55867%0.671SS**THydrogen-bonded Turntrans-117.91.2-178.358.90000113.2T141 L142 T143 D147T141-T145 PolarHBondContact O-OG1 3.26Å; L142-T145 PolarHBondContact O-OG1 3.24Å; T143-T145 VanDerWaalsContact C-N 3.28Å; T143-T145 PolarHBondContact O-N 3.46Å; T145-D147 VanDerWaalsContact C-N 3.3Å; T145-D147 PolarHBondContact O-N 3.5Å
146A53.3Low50.5Low63 Ų63120.6 Ų120.652%0.52168%0.679SS.*G310 helixtrans-69.4-22.3-177.500000114L142 Y148L142-A146 PolarHBondContact O-N 3.38Å; A146-Y148 VanDerWaalsContact C-N 3.29Å; A146-Y148 PolarHBondContact O-N 2.95Å
147D51.9Low50.6Low146 Ų146117.9 Ų117.978%0.78168%0.683SS**G310 helixtrans-79.6-2-174.3-67.5-18.8000114.9T145T145-D147 VanDerWaalsContact C-N 3.3Å; T145-D147 PolarHBondContact O-N 3.5Å
148Y50.1Low50.6Low225 Ų225116 Ų11688%0.88269%0.693SS**G310 helixtrans-1218.9-177.4-70.4-79000115.4A146A146-Y148 VanDerWaalsContact C-N 3.29Å; A146-Y148 PolarHBondContact O-N 2.95Å
149R52.1Low51.1Low178 Ų178115.3 Ų115.367%0.67270%0.696SS**  trans-110.451.3-171.5-155.7-177.1-173.8-178.24.9114V151 P153R149-V151 PolarHBondContact O-N 3.33Å; R149-P153 VanDerWaalsContact NH2-CB 3.3Å
150A52.3Low51.3Low103 Ų103114.3 Ų114.385%0.85170%0.697SS**  trans-82.621176.500000114.7
151V47Very low51.6Low130 Ų130115.4 Ų115.479%0.78870%0.698SS**SBendtrans-142.7129.1177.2-155.60000109.8R149R149-V151 PolarHBondContact O-N 3.33Å
152A44.9Very low52.5Low91 Ų91114 Ų11475%0.75269%0.694SS**  trans-48.9137.3-168.400000114.5S154A152-S154 PolarHBondContact O-N 3.42Å
153P54.8Low53.3Low88 Ų88113.7 Ų113.757%0.57169%0.69SS**  trans-77.1115.5179.130-29.3000110.7R149R149-P153 VanDerWaalsContact NH2-CB 3.3Å
154S40.8Very low53.7Low102 Ų102116.6 Ų116.671%0.71369%0.69SS**  trans-63.6139.4169.759.70000111.1A152 A156A152-S154 PolarHBondContact O-N 3.42Å; S154-A156 PolarHBondContact O-N 2.88Å
155S45.5Very low54.2Low138 Ų138113.8 Ų113.897%0.96568%0.679SS**SBendtrans-60.949.5-171.9-49.30000117.7
156A50.1Low55.1Low81 Ų81118 Ų11867%0.66969%0.685SS**  trans-130.211.6-177.600000115.3S154 G158S154-A156 PolarHBondContact O-N 2.88Å; A156-G158 PolarHBondContact O-N 3.46Å
157A50.1Low56Low97 Ų97120.7 Ų120.780%0.80269%0.688SS**  trans-79.422.7-171.900000116A159A157-A159 PolarHBondContact O-N 2.93Å
158G47.3Very low57Low82 Ų82119.1 Ų119.185%0.84568%0.679SS**  trans-8526.9176.900000114.5A156 S160A156-G158 PolarHBondContact O-N 3.46Å; G158-S160 PolarHBondContact O-N 3.46Å
159A56.3Low57.7Low55 Ų55113 Ų11346%0.45566%0.66SS.*  trans-78.1102.6-172.500000111.7A157 E163A157-A159 PolarHBondContact O-N 2.93Å; A159-E163 VanDerWaalsContact CB-OE2 3.26Å; A159-E163 WeakPolarHBondContact CB-OE2 3.15Å
160S54.7Low58.6Low76 Ų76110.1 Ų110.153%0.53166%0.655SS.*  trans-23.8138.7173.7176.20000116.1G158 A162 E163 R164G158-S160 PolarHBondContact O-N 3.46Å; S160-A162 PolarHBondContact O-N 3.2Å; S160-A162 PolarHBondContact OG-N 3.24Å; S160-E163 WeakPolarHBondContact O-CB 3.44Å; S160-E163 PolarHBondContact O-N 2.76Å; S160-R164 PolarHBondContact O-N 3.4Å
161H57.5Low59.2Low156 Ų156111.7 Ų111.772%0.72264%0.644SS**Hα-helixtrans-39.5-29.9167.4179.885.8000114.2R165H161-R165 WeakPolarHBondContact O-CB 3.47Å; H161-R165 PolarHBondContact O-N 3.03Å
162A70.6Confident59.9Low53 Ų53109.2 Ų109.244%0.43863%0.632SS.*Hα-helixtrans-66.8-33.4174.900000114.3S160 R166S160-A162 PolarHBondContact O-N 3.2Å; S160-A162 PolarHBondContact OG-N 3.24Å; A162-R166 WeakPolarHBondContact O-CG 3.49Å; A162-R166 PolarHBondContact O-N 3.21Å
163E67.8Low60.8Low109 Ų109112.5 Ų112.551%0.50963%0.63SS.*Hα-helixtrans-78.5-35.4178.9-142.4162.3-147.900111A159 S160 R165 R166 M167A159-E163 VanDerWaalsContact CB-OE2 3.26Å; A159-E163 WeakPolarHBondContact CB-OE2 3.15Å; S160-E163 WeakPolarHBondContact O-CB 3.44Å; S160-E163 PolarHBondContact O-N 2.76Å; E163-R165 VanDerWaalsContact C-N 3.33Å; E163-R165 PolarHBondContact O-N 3.29Å; E163-R166 PolarHBondContact O-N 3.38Å; E163-M167 WeakPolarHBondContact O-CG 3.18Å; E163-M167 PolarHBondContact O-N 3.25Å
164R66Low60.9Low160 Ų160116.1 Ų116.160%0.60463%0.633SS**Hα-helixtrans-61.7-40.9168.9-146.7-174.1-68.6-166.71.7111.2S160 M167 L168S160-R164 PolarHBondContact O-N 3.4Å; R164-M167 PolarHBondContact O-N 3.16Å; R164-L168 PolarHBondContact O-N 2.83Å
165R69.2Low61.6Low166 Ų166118 Ų11863%0.62663%0.634SS**Hα-helixtrans-66.4-37.3172.7-169178.5-179.8-157.71.5112.8H161 E163 L168 I169H161-R165 WeakPolarHBondContact O-CB 3.47Å; H161-R165 PolarHBondContact O-N 3.03Å; E163-R165 VanDerWaalsContact C-N 3.33Å; E163-R165 PolarHBondContact O-N 3.29Å; R165-L168 PolarHBondContact O-N 2.69Å; R165-I169 HydrophobicContact CG-CD1 4Å; R165-I169 WeakPolarHBondContact O-CB 3.38Å; R165-I169 WeakPolarHBondContact O-CD1 3.28Å; R165-I169 WeakPolarHBondContact O-CG1 3.39Å; R165-I169 PolarHBondContact O-N 2.62Å
166R75.7Confident61.7Low180 Ų180115 Ų11568%0.67963%0.626SS**Hα-helixtrans-67.3-39.8175-78.3178.4-179.1-178.11.5112.3A162 E163 I169 Q170A162-R166 WeakPolarHBondContact O-CG 3.49Å; A162-R166 PolarHBondContact O-N 3.21Å; E163-R166 PolarHBondContact O-N 3.38Å; R166-I169 PolarHBondContact O-N 3.07Å; R166-Q170 VanDerWaalsContact O-CB 3.29Å; R166-Q170 WeakPolarHBondContact O-CB 3.42Å; R166-Q170 PolarHBondContact O-N 3.47Å
167M71.3Confident62Low118 Ų118113.1 Ų113.158%0.58161%0.614SS**Hα-helixtrans-60-49172-72.8-81.8-152.500110.8E163 R164 I169 Q170 E171E163-M167 WeakPolarHBondContact O-CG 3.18Å; E163-M167 PolarHBondContact O-N 3.25Å; R164-M167 PolarHBondContact O-N 3.16Å; M167-I169 VanDerWaalsContact C-N 3.34Å; M167-I169 PolarHBondContact O-N 2.88Å; M167-Q170 PolarHBondContact O-N 2.8Å; M167-Q170 VanDerWaalsContact O-N 3.12Å; M167-E171 WeakPolarHBondContact O-CB 3.37Å; M167-E171 WeakPolarHBondContact O-CG 3.28Å; M167-E171 PolarHBondContact O-N 2.78Å
168L73.5Confident61.9Low114 Ų114114.3 Ų114.360%0.59761%0.607SS**Hα-helixtrans-56.5-43.2174.7-99.3151.8000113.1R164 R165 S172R164-L168 PolarHBondContact O-N 2.83Å; R165-L168 PolarHBondContact O-N 2.69Å; L168-S172 WeakPolarHBondContact O-CB 3.34Å; L168-S172 PolarHBondContact O-N 3.42Å; L168-S172 PolarHBondContact O-OG 3.14Å
169I63.5Low62.3Low97 Ų97119 Ų11950%0.49761%0.61SS.*Hα-helixtrans-69-38177.4-68.3165.2000110.8R165 R166 M167 S172 K173R165-I169 HydrophobicContact CG-CD1 4Å; R165-I169 WeakPolarHBondContact O-CB 3.38Å; R165-I169 WeakPolarHBondContact O-CD1 3.28Å; R165-I169 WeakPolarHBondContact O-CG1 3.39Å; R165-I169 PolarHBondContact O-N 2.62Å; R166-I169 PolarHBondContact O-N 3.07Å; M167-I169 VanDerWaalsContact C-N 3.34Å; M167-I169 PolarHBondContact O-N 2.88Å; I169-S172 WeakPolarHBondContact CA-OG 3.33Å; I169-S172 PolarHBondContact O-N 2.66Å; I169-S172 PolarHBondContact O-OG 3.09Å; I169-K173 PolarHBondContact O-N 2.79Å
170Q71.8Confident62.5Low117 Ų117123.9 Ų123.955%0.54762%0.623SS.*Hα-helixtrans-70.6-38.1178.3-171.9170.5-10.200111.9R166 M167 S172 K173 Y174R166-Q170 VanDerWaalsContact O-CB 3.29Å; R166-Q170 WeakPolarHBondContact O-CB 3.42Å; R166-Q170 PolarHBondContact O-N 3.47Å; M167-Q170 PolarHBondContact O-N 2.8Å; M167-Q170 VanDerWaalsContact O-N 3.12Å; Q170-S172 VanDerWaalsContact C-N 3.33Å; Q170-K173 WeakPolarHBondContact O-CB 3.39Å; Q170-K173 PolarHBondContact O-N 3.41Å; Q170-Y174 HydrophobicContact CG-CE2 4.36Å; Q170-Y174 VanDerWaalsContact O-CD2 3.32Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.4Å
171E64.1Low62.4Low135 Ų135127.2 Ų127.263%0.63163%0.63SS**Hα-helixtrans-65.8-35.5172.2-72.4175.3179.100111.5M167 K173M167-E171 WeakPolarHBondContact O-CB 3.37Å; M167-E171 WeakPolarHBondContact O-CG 3.28Å; M167-E171 PolarHBondContact O-N 2.78Å; E171-K173 VanDerWaalsContact C-N 3.31Å; E171-K173 PolarHBondContact O-N 3.17Å
172S63Low62.2Low78 Ų78121.2 Ų121.255%0.54560%0.604SS.*Hα-helixtrans-71.8-20.9172.874.70000114.3L168 I169 Q170 Y174L168-S172 WeakPolarHBondContact O-CB 3.34Å; L168-S172 PolarHBondContact O-N 3.42Å; L168-S172 PolarHBondContact O-OG 3.14Å; I169-S172 WeakPolarHBondContact CA-OG 3.33Å; I169-S172 PolarHBondContact O-N 2.66Å; I169-S172 PolarHBondContact O-OG 3.09Å; Q170-S172 VanDerWaalsContact C-N 3.33Å; S172-Y174 VanDerWaalsContact C-N 3.32Å; S172-Y174 PolarHBondContact O-N 3.37Å
173K63.9Low61.4Low160 Ų160126.6 Ų126.670%0.69662%0.62SS**Hα-helixtrans-71.2-26-176.5-171.7176.7179.5-178.70113I169 Q170 E171I169-K173 PolarHBondContact O-N 2.79Å; Q170-K173 WeakPolarHBondContact O-CB 3.39Å; Q170-K173 PolarHBondContact O-N 3.41Å; E171-K173 VanDerWaalsContact C-N 3.31Å; E171-K173 PolarHBondContact O-N 3.17Å
174Y55.5Low60.9Low164 Ų164129.7 Ų129.764%0.64364%0.639SS**THydrogen-bonded Turntrans-1049-175.7-65.5-81.1000113.8Q170 S172Q170-Y174 HydrophobicContact CG-CE2 4.36Å; Q170-Y174 VanDerWaalsContact O-CD2 3.32Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.4Å; S172-Y174 VanDerWaalsContact C-N 3.32Å; S172-Y174 PolarHBondContact O-N 3.37Å
175L55.8Low60.4Low141 Ų141126.3 Ų126.374%0.73864%0.636SS**  trans-113.35-177.4-131.377.5000114.3G177L175-G177 PolarHBondContact O-N 3.47Å
176G48.9Very low60.1Low77 Ų77128.8 Ų128.879%0.79465%0.651SS**  trans-89.257.1-175.800000114.6
177G55.8Low59.6Low41 Ų41122.1 Ų122.142%0.42364%0.638SS.*  trans-127.8125.117500000111.6L175 T182L175-G177 PolarHBondContact O-N 3.47Å; G177-T182 VanDerWaalsContact C-CG2 3.42Å; G177-T182 VanDerWaalsContact O-CG2 3.25Å; G177-T182 WeakPolarHBondContact O-CG2 3.43Å
178D48.6Very low59.2Low121 Ų121119 Ų11965%0.64762%0.623SS**  trans-69.4157.1-175.6-45.8-17.1000111.1E180 H181 T182D178-E180 PolarHBondContact O-N 3.41Å; D178-H181 PolarHBondContact O-N 3.39Å; D178-T182 PolarHBondContact O-OG1 2.75Å
179M54.8Low58.7Low182 Ų182119.2 Ų119.290%0.89763%0.625SS**THydrogen-bonded Turntrans-50.1-20.4-172.9-95.3170.650.700116
180E59.8Low59.2Low156 Ų156122 Ų12273%0.72963%0.631SS**THydrogen-bonded Turntrans-103.1-9.6-172.5-42.4177.8-159.300112.2D178D178-E180 PolarHBondContact O-N 3.41Å
181H53.6Low59.4Low147 Ų147120.7 Ų120.768%0.68163%0.63SS**SBendtrans-128.822.9-164.7-64.3103.2000113.7D178D178-H181 PolarHBondContact O-N 3.39Å
182T52.3Low60.1Low29 Ų29118.7 Ų118.718%0.17862%0.623CS.*  trans-120.863.5-172.443.20000112.7G177 D178 L188G177-T182 VanDerWaalsContact C-CG2 3.42Å; G177-T182 VanDerWaalsContact O-CG2 3.25Å; G177-T182 WeakPolarHBondContact O-CG2 3.43Å; D178-T182 PolarHBondContact O-OG1 2.75Å; T182-L188 HydrophobicContact CG2-CD1 4.06Å; T182-L188 WeakPolarHBondContact O-CD2 3.45Å
183H54.4Low61.1Low167 Ų167119.6 Ų119.677%0.77362%0.622SS**SBendtrans-1122.6-177.4-83.3-62.9000116.4
184L56.9Low62Low174 Ų174115.8 Ų115.891%0.91161%0.606SS**  trans-140.418.2-170.8-79.5154.6000115.1
185V56.8Low63.4Low88 Ų88114.7 Ų114.753%0.53361%0.605SS.*  trans-93.5109.5174.8-176.20000109G187 L188V185-G187 PolarHBondContact O-N 3.41Å; V185-L188 HydrophobicContact CB-CB 4.41Å; V185-L188 WeakPolarHBondContact O-CB 3.06Å; V185-L188 PolarHBondContact O-N 3.47Å
186K62.4Low64.9Low219 Ų219110.9 Ų110.995%0.95259%0.587SS**THydrogen-bonded Turntrans-56.398.5179.3-170.3179.7-176.2-178.70109.9
187G65.5Low66.9Low39 Ų39114.5 Ų114.540%0.40258%0.577SS.*THydrogen-bonded Turntrans127.8-12.2-17600000114.9V185 Y190 V191V185-G187 PolarHBondContact O-N 3.41Å; G187-Y190 WeakPolarHBondContact O-CB 3.12Å; G187-Y190 PolarHBondContact O-N 3.1Å; G187-Y190 VanDerWaalsContact O-N 3.17Å; G187-V191 WeakPolarHBondContact O-CG2 3.5Å; G187-V191 PolarHBondContact O-N 3.19Å
188L62.6Low68.3Low52 Ų52117 Ų11727%0.27258%0.58SS.*Hα-helixtrans-64.4-42.1176.7-173.3128.2000112.4T182 V185 Y190 V191 L192T182-L188 HydrophobicContact CG2-CD1 4.06Å; T182-L188 WeakPolarHBondContact O-CD2 3.45Å; V185-L188 HydrophobicContact CB-CB 4.41Å; V185-L188 WeakPolarHBondContact O-CB 3.06Å; V185-L188 PolarHBondContact O-N 3.47Å; L188-Y190 PolarHBondContact O-N 3.09Å; L188-V191 PolarHBondContact O-N 3.45Å; L188-V191 VanDerWaalsContact O-N 3.15Å; L188-L192 WeakPolarHBondContact O-CB 3.3Å; L188-L192 PolarHBondContact O-N 3.25Å
189D62.2Low70.1Confident120 Ų120115.7 Ų115.764%0.64257%0.57SS**Hα-helixtrans-58.1-36173.8-63.8-15000111.5L193D189-L193 VanDerWaalsContact O-CB 3.23Å; D189-L193 WeakPolarHBondContact O-CB 3.38Å; D189-L193 WeakPolarHBondContact O-CG 3.34Å; D189-L193 PolarHBondContact O-N 2.88Å
190Y75.4Confident71.7Confident156 Ų156111.2 Ų111.261%0.61255%0.549SS*.Hα-helixtrans-71-41.9177.4-174.8-97000111.7G187 L188 L193 Q194G187-Y190 WeakPolarHBondContact O-CB 3.12Å; G187-Y190 PolarHBondContact O-N 3.1Å; G187-Y190 VanDerWaalsContact O-N 3.17Å; L188-Y190 PolarHBondContact O-N 3.09Å; Y190-L193 PolarHBondContact O-N 3.22Å; Y190-Q194 VanDerWaalsContact O-CB 3.29Å; Y190-Q194 WeakPolarHBondContact O-CB 3.5Å; Y190-Q194 PolarHBondContact O-N 3.44Å
191V76.1Confident73.1Confident88 Ų88108.8 Ų108.853%0.53354%0.538SS..Hα-helixtrans-65.5-40174.9175.30000111G187 L188 Q194 K195G187-V191 WeakPolarHBondContact O-CG2 3.5Å; G187-V191 PolarHBondContact O-N 3.19Å; L188-V191 PolarHBondContact O-N 3.45Å; L188-V191 VanDerWaalsContact O-N 3.15Å; V191-Q194 PolarHBondContact O-N 2.88Å; V191-K195 WeakPolarHBondContact O-CB 3.38Å; V191-K195 PolarHBondContact O-N 2.88Å
192L77.4Confident74.8Confident94 Ų94106.8 Ų106.849%0.49253%0.532SS..Hα-helixtrans-67.9-44.1177-174.461.6000111.2L188 Q194 K195 V196L188-L192 WeakPolarHBondContact O-CB 3.3Å; L188-L192 PolarHBondContact O-N 3.25Å; L192-Q194 VanDerWaalsContact C-N 3.3Å; L192-Q194 PolarHBondContact O-N 2.91Å; L192-K195 PolarHBondContact O-N 2.94Å; L192-V196 HydrophobicContact CD1-CG2 4.45Å; L192-V196 WeakPolarHBondContact O-CB 3.41Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.47Å; L192-V196 PolarHBondContact O-N 2.9Å
193L83.8Confident76.5Confident97 Ų97111 Ų11151%0.50855%0.548SS..Hα-helixtrans-62.3-38.2173.5-77.1170.7000111.8D189 Y190 R197D189-L193 VanDerWaalsContact O-CB 3.23Å; D189-L193 WeakPolarHBondContact O-CB 3.38Å; D189-L193 WeakPolarHBondContact O-CG 3.34Å; D189-L193 PolarHBondContact O-N 2.88Å; Y190-L193 PolarHBondContact O-N 3.22Å; L193-R197 VanDerWaalsContact O-CB 3.29Å; L193-R197 WeakPolarHBondContact O-CB 3.39Å; L193-R197 VanDerWaalsContact O-CG 3.24Å; L193-R197 WeakPolarHBondContact O-CG 3.24Å; L193-R197 PolarHBondContact O-N 3.16Å
194Q83.4Confident78Confident80 Ų80108.6 Ų108.637%0.37454%0.537SS..Hα-helixtrans-65.8-42.5174.7-167.769.612.700111.1Y190 V191 L192 R197 L198Y190-Q194 VanDerWaalsContact O-CB 3.29Å; Y190-Q194 WeakPolarHBondContact O-CB 3.5Å; Y190-Q194 PolarHBondContact O-N 3.44Å; V191-Q194 PolarHBondContact O-N 2.88Å; L192-Q194 VanDerWaalsContact C-N 3.3Å; L192-Q194 PolarHBondContact O-N 2.91Å; Q194-R197 PolarHBondContact O-N 3.09Å; Q194-L198 HydrophobicContact CG-CD1 4.36Å; Q194-L198 WeakPolarHBondContact O-CB 3.32Å; Q194-L198 VanDerWaalsContact O-CG 3.27Å; Q194-L198 WeakPolarHBondContact O-CG 3.46Å; Q194-L198 PolarHBondContact O-N 3.39Å
195K84.6Confident79.4Confident141 Ų141103.3 Ų103.361%0.61351%0.509SS*.Hα-helixtrans-64.2-44.1175.7-174179.8178.8-1770111.8V191 L192 L198 E199V191-K195 WeakPolarHBondContact O-CB 3.38Å; V191-K195 PolarHBondContact O-N 2.88Å; L192-K195 PolarHBondContact O-N 2.94Å; K195-L198 PolarHBondContact O-N 3.32Å; K195-E199 WeakPolarHBondContact O-CB 3.31Å; K195-E199 PolarHBondContact O-N 3.4Å
196V87.3Confident80.7Confident60 Ų60105.1 Ų105.136%0.36451%0.511SS..Hα-helixtrans-65.8-40.6176.9171.10000110.9L192 E199 I200L192-V196 HydrophobicContact CD1-CG2 4.45Å; L192-V196 WeakPolarHBondContact O-CB 3.41Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.47Å; L192-V196 PolarHBondContact O-N 2.9Å; V196-E199 PolarHBondContact O-N 2.78Å; V196-I200 HydrophobicContact CG1-CD1 3.84Å; V196-I200 HydrophobicContact CG1-CG1 4.45Å; V196-I200 WeakPolarHBondContact O-CB 3.28Å; V196-I200 VanDerWaalsContact O-CG1 3.26Å; V196-I200 WeakPolarHBondContact O-CG1 3.33Å; V196-I200 PolarHBondContact O-N 2.83Å
197R90.6Very high81.8Confident154 Ų15497.5 Ų97.558%0.58149%0.49SS*.Hα-helixtrans-62.2-44.5173.2-79.3175.4179.3173.2-0.3112L193 Q194 E199 I200 Q201L193-R197 VanDerWaalsContact O-CB 3.29Å; L193-R197 WeakPolarHBondContact O-CB 3.39Å; L193-R197 VanDerWaalsContact O-CG 3.24Å; L193-R197 WeakPolarHBondContact O-CG 3.24Å; L193-R197 PolarHBondContact O-N 3.16Å; Q194-R197 PolarHBondContact O-N 3.09Å; R197-E199 VanDerWaalsContact C-N 3.34Å; R197-I200 PolarHBondContact O-N 3.33Å; R197-Q201 VanDerWaalsContact O-CB 3.31Å; R197-Q201 WeakPolarHBondContact O-CB 3.31Å; R197-Q201 PolarHBondContact O-N 3.18Å
198L86.2Confident82.5Confident94 Ų94101.8 Ų101.849%0.49250%0.499SS..Hα-helixtrans-64.8-38.7175.7-73.9171.8000111.6Q194 K195 Q201 N202Q194-L198 HydrophobicContact CG-CD1 4.36Å; Q194-L198 WeakPolarHBondContact O-CB 3.32Å; Q194-L198 VanDerWaalsContact O-CG 3.27Å; Q194-L198 WeakPolarHBondContact O-CG 3.46Å; Q194-L198 PolarHBondContact O-N 3.39Å; K195-L198 PolarHBondContact O-N 3.32Å; L198-Q201 PolarHBondContact O-N 3.39Å; L198-N202 VanDerWaalsContact O-CB 3.22Å; L198-N202 WeakPolarHBondContact O-CB 3.4Å; L198-N202 PolarHBondContact O-N 2.89Å
199E86.4Confident83.5Confident93 Ų93104.7 Ų104.744%0.43551%0.511SS..Hα-helixtrans-66.7-42.1177.1-168.4-172.7148.300112K195 V196 R197 N202 K203K195-E199 WeakPolarHBondContact O-CB 3.31Å; K195-E199 PolarHBondContact O-N 3.4Å; V196-E199 PolarHBondContact O-N 2.78Å; R197-E199 VanDerWaalsContact C-N 3.34Å; E199-N202 PolarHBondContact O-N 3.18Å; E199-K203 HydrophobicContact CG-CD 4.48Å; E199-K203 WeakPolarHBondContact O-CB 3.31Å; E199-K203 WeakPolarHBondContact O-CG 2.76Å; E199-K203 PolarHBondContact O-N 3.31Å; E199-K203 IonicContact OE1-NZ 2.72Å; E199-K203 PolarHBondContact OE1-NZ 3.14Å
200I87.1Confident84.4Confident87 Ų87101.6 Ų101.645%0.44650%0.502SS..Hα-helixtrans-63.8-47.9174.4-68.1166.5000110V196 R197 N202 K203 E204V196-I200 HydrophobicContact CG1-CD1 3.84Å; V196-I200 HydrophobicContact CG1-CG1 4.45Å; V196-I200 WeakPolarHBondContact O-CB 3.28Å; V196-I200 VanDerWaalsContact O-CG1 3.26Å; V196-I200 WeakPolarHBondContact O-CG1 3.33Å; V196-I200 PolarHBondContact O-N 2.83Å; R197-I200 PolarHBondContact O-N 3.33Å; I200-N202 VanDerWaalsContact C-N 3.32Å; I200-N202 PolarHBondContact O-N 3.47Å; I200-K203 PolarHBondContact O-N 3.37Å; I200-E204 HydrophobicContact CG2-CG 4.48Å; I200-E204 WeakPolarHBondContact O-CG 3.43Å; I200-E204 PolarHBondContact O-N 2.75Å
201Q89.3Confident84.4Confident106 Ų10699.2 Ų99.250%0.49550%0.499SS..Hα-helixtrans-62.2-39.4178.6-172.8-178.6-5.500111.9R197 L198 E204 I205R197-Q201 VanDerWaalsContact O-CB 3.31Å; R197-Q201 WeakPolarHBondContact O-CB 3.31Å; R197-Q201 PolarHBondContact O-N 3.18Å; L198-Q201 PolarHBondContact O-N 3.39Å; Q201-E204 PolarHBondContact O-N 3.1Å; Q201-I205 HydrophobicContact CG-CD1 4.13Å; Q201-I205 VanDerWaalsContact O-CG1 3.28Å; Q201-I205 WeakPolarHBondContact O-CG1 3.29Å; Q201-I205 PolarHBondContact O-N 2.69Å
202N89.3Confident84.4Confident104 Ų10499.1 Ų99.156%0.55650%0.496SS*.Hα-helixtrans-69.4-36.2178-155.245.7000111.6L198 E199 I200 I205 E206L198-N202 VanDerWaalsContact O-CB 3.22Å; L198-N202 WeakPolarHBondContact O-CB 3.4Å; L198-N202 PolarHBondContact O-N 2.89Å; E199-N202 PolarHBondContact O-N 3.18Å; I200-N202 VanDerWaalsContact C-N 3.32Å; I200-N202 PolarHBondContact O-N 3.47Å; N202-I205 PolarHBondContact O-N 3.12Å; N202-E206 WeakPolarHBondContact O-CB 3.36Å; N202-E206 PolarHBondContact O-N 2.9Å
203K88Confident84.3Confident119 Ų11998 Ų9852%0.51749%0.49SS..Hα-helixtrans-66.7-36.7171.4-79.5171.1173.1163.60112.5E199 I200 A207E199-K203 HydrophobicContact CG-CD 4.48Å; E199-K203 WeakPolarHBondContact O-CB 3.31Å; E199-K203 WeakPolarHBondContact O-CG 2.76Å; E199-K203 PolarHBondContact O-N 3.31Å; E199-K203 IonicContact OE1-NZ 2.72Å; E199-K203 PolarHBondContact OE1-NZ 3.14Å; I200-K203 PolarHBondContact O-N 3.37Å; K203-A207 VanDerWaalsContact O-CB 3.25Å; K203-A207 WeakPolarHBondContact O-CB 3.33Å; K203-A207 PolarHBondContact O-N 3.43Å
204E86Confident83.7Confident116 Ų11698.9 Ų98.954%0.54249%0.491SS..Hα-helixtrans-65.2-45.3173.5-74.4174.817200111I200 Q201 A207 E208I200-E204 HydrophobicContact CG2-CG 4.48Å; I200-E204 WeakPolarHBondContact O-CG 3.43Å; I200-E204 PolarHBondContact O-N 2.75Å; Q201-E204 PolarHBondContact O-N 3.1Å; E204-A207 PolarHBondContact O-N 2.8Å; E204-E208 WeakPolarHBondContact O-CB 3.26Å; E204-E208 WeakPolarHBondContact O-CG 3.13Å; E204-E208 PolarHBondContact O-N 3.28Å
205I87.1Confident82.9Confident63 Ų63100.9 Ų100.932%0.32350%0.504SS..Hα-helixtrans-63.8-42.2175.4-67.5164.9000111.3Q201 N202 A207 E208 Q209Q201-I205 HydrophobicContact CG-CD1 4.13Å; Q201-I205 VanDerWaalsContact O-CG1 3.28Å; Q201-I205 WeakPolarHBondContact O-CG1 3.29Å; Q201-I205 PolarHBondContact O-N 2.69Å; N202-I205 PolarHBondContact O-N 3.12Å; I205-A207 VanDerWaalsContact C-N 3.33Å; I205-E208 PolarHBondContact O-N 3.41Å; I205-Q209 HydrophobicContact CG2-CG 4.29Å; I205-Q209 WeakPolarHBondContact O-CB 3.25Å; I205-Q209 VanDerWaalsContact O-CG 3.25Å; I205-Q209 WeakPolarHBondContact O-CG 3.33Å; I205-Q209 PolarHBondContact O-N 2.82Å
206E83.8Confident81.9Confident125 Ų125100.3 Ų100.358%0.58451%0.507SS*.Hα-helixtrans-65.1-38.2176.8-171.5179.4-176.100111.4N202 Q209 A210N202-E206 WeakPolarHBondContact O-CB 3.36Å; N202-E206 PolarHBondContact O-N 2.9Å; E206-Q209 PolarHBondContact O-N 3.48Å; E206-A210 VanDerWaalsContact O-CB 3.26Å; E206-A210 WeakPolarHBondContact O-CB 3.25Å; E206-A210 PolarHBondContact O-N 2.79Å
207A84.9Confident80.7Confident60 Ų60103.4 Ų103.450%0.49652%0.516SS..Hα-helixtrans-67-41.9173.900000112.2K203 E204 I205 A210 L211K203-A207 VanDerWaalsContact O-CB 3.25Å; K203-A207 WeakPolarHBondContact O-CB 3.33Å; K203-A207 PolarHBondContact O-N 3.43Å; E204-A207 PolarHBondContact O-N 2.8Å; I205-A207 VanDerWaalsContact C-N 3.33Å; A207-A210 PolarHBondContact O-N 2.92Å; A207-L211 WeakPolarHBondContact O-CB 3.43Å; A207-L211 PolarHBondContact O-N 3.35Å
208E81.2Confident78.7Confident129 Ų129101.1 Ų101.160%0.60352%0.521SS*.Hα-helixtrans-64-43173.5-76.4-178.617700111.3E204 I205 L211 D212E204-E208 WeakPolarHBondContact O-CB 3.26Å; E204-E208 WeakPolarHBondContact O-CG 3.13Å; E204-E208 PolarHBondContact O-N 3.28Å; I205-E208 PolarHBondContact O-N 3.41Å; E208-L211 WeakPolarHBondContact O-CB 3.28Å; E208-L211 PolarHBondContact O-N 2.83Å; E208-D212 WeakPolarHBondContact O-CB 3.26Å; E208-D212 PolarHBondContact O-N 2.91Å
209Q82.8Confident76.7Confident113 Ų113100.7 Ų100.753%0.52852%0.519SS..Hα-helixtrans-65.4-39174.9-74.9178.37.800112.1I205 E206 L211 D212 I213I205-Q209 HydrophobicContact CG2-CG 4.29Å; I205-Q209 WeakPolarHBondContact O-CB 3.25Å; I205-Q209 VanDerWaalsContact O-CG 3.25Å; I205-Q209 WeakPolarHBondContact O-CG 3.33Å; I205-Q209 PolarHBondContact O-N 2.82Å; E206-Q209 PolarHBondContact O-N 3.48Å; Q209-L211 VanDerWaalsContact C-N 3.34Å; Q209-D212 PolarHBondContact O-N 2.87Å; Q209-I213 WeakPolarHBondContact O-CB 3.5Å; Q209-I213 WeakPolarHBondContact O-CD1 3.36Å; Q209-I213 WeakPolarHBondContact O-CG1 3.31Å; Q209-I213 PolarHBondContact O-N 2.92Å
210A81.5Confident74.7Confident55 Ų55105.6 Ų105.646%0.45553%0.534SS..Hα-helixtrans-64.6-40.8174.600000111.2E206 A207 I213 E214E206-A210 VanDerWaalsContact O-CB 3.26Å; E206-A210 WeakPolarHBondContact O-CB 3.25Å; E206-A210 PolarHBondContact O-N 2.79Å; A207-A210 PolarHBondContact O-N 2.92Å; A210-I213 PolarHBondContact O-N 3.32Å; A210-E214 WeakPolarHBondContact O-CB 3.4Å; A210-E214 PolarHBondContact O-N 2.87Å
211L76.5Confident72.9Confident105 Ų105109.9 Ų109.955%0.5555%0.554SS.*Hα-helixtrans-66-42174.8-164113.2000111.4A207 E208 Q209 E214 L215A207-L211 WeakPolarHBondContact O-CB 3.43Å; A207-L211 PolarHBondContact O-N 3.35Å; E208-L211 WeakPolarHBondContact O-CB 3.28Å; E208-L211 PolarHBondContact O-N 2.83Å; Q209-L211 VanDerWaalsContact C-N 3.34Å; L211-E214 CarbonylContact O-C 3.58Å; L211-E214 PolarHBondContact O-N 3.29Å; L211-E214 VanDerWaalsContact O-N 3.17Å; L211-L215 HydrophobicContact CD2-CD1 3.57Å; L211-L215 HydrophobicContact CG-CD1 4.06Å; L211-L215 WeakPolarHBondContact O-CB 3.29Å; L211-L215 WeakPolarHBondContact O-CD1 3.27Å; L211-L215 VanDerWaalsContact O-CG 3.3Å; L211-L215 WeakPolarHBondContact O-CG 3.45Å; L211-L215 PolarHBondContact O-N 3.23Å
212D75.3Confident70.8Confident87 Ų87110.6 Ų110.647%0.46556%0.556SS.*Hα-helixtrans-67.2-36.7175.2-86.5-8.1000112.1E208 Q209 E214 L215 N216E208-D212 WeakPolarHBondContact O-CB 3.26Å; E208-D212 PolarHBondContact O-N 2.91Å; Q209-D212 PolarHBondContact O-N 2.87Å; D212-E214 VanDerWaalsContact C-N 3.3Å; D212-L215 PolarHBondContact O-N 3.46Å; D212-N216 WeakPolarHBondContact O-CB 3.29Å; D212-N216 VanDerWaalsContact O-CG 3.28Å; D212-N216 PolarHBondContact O-N 2.99Å; D212-N216 PolarHBondContact O-ND2 2.83Å
213I76.1Confident68.6Low69 Ų69113.6 Ų113.635%0.35457%0.567SS.*Hα-helixtrans-67.3-35171.9-70.9161.9000110.2Q209 A210 K217Q209-I213 WeakPolarHBondContact O-CB 3.5Å; Q209-I213 WeakPolarHBondContact O-CD1 3.36Å; Q209-I213 WeakPolarHBondContact O-CG1 3.31Å; Q209-I213 PolarHBondContact O-N 2.92Å; A210-I213 PolarHBondContact O-N 3.32Å; I213-K217 VanDerWaalsContact O-CG 3.29Å; I213-K217 WeakPolarHBondContact O-CG 3.16Å; I213-K217 PolarHBondContact O-N 3.41Å; I213-K217 VanDerWaalsContact O-N 3.12Å
214E70.7Confident66.5Low116 Ų116112 Ų11254%0.54257%0.57SS.*Hα-helixtrans-72.2-35.5176-166.4162-169.800112.6A210 L211 D212A210-E214 WeakPolarHBondContact O-CB 3.4Å; A210-E214 PolarHBondContact O-N 2.87Å; L211-E214 CarbonylContact O-C 3.58Å; L211-E214 PolarHBondContact O-N 3.29Å; L211-E214 VanDerWaalsContact O-N 3.17Å; D212-E214 VanDerWaalsContact C-N 3.3Å
215L66Low64.5Low123 Ų123108.4 Ų108.464%0.64456%0.561SS**Hα-helixtrans-77.3-32.2174.8-73.8161.8000113.3L211 D212L211-L215 HydrophobicContact CD2-CD1 3.57Å; L211-L215 HydrophobicContact CG-CD1 4.06Å; L211-L215 WeakPolarHBondContact O-CB 3.29Å; L211-L215 WeakPolarHBondContact O-CD1 3.27Å; L211-L215 VanDerWaalsContact O-CG 3.3Å; L211-L215 WeakPolarHBondContact O-CG 3.45Å; L211-L215 PolarHBondContact O-N 3.23Å; D212-L215 PolarHBondContact O-N 3.46Å
216N64.5Low62.3Low128 Ų128113 Ų11368%0.68459%0.586SS**Hα-helixtrans-90.7-3.7178.9-72.9-55.8000114D212 P218D212-N216 WeakPolarHBondContact O-CB 3.29Å; D212-N216 VanDerWaalsContact O-CG 3.28Å; D212-N216 PolarHBondContact O-N 2.99Å; D212-N216 PolarHBondContact O-ND2 2.83Å; N216-P218 WeakPolarHBondContact O-CD 3.23Å
217K60.3Low60.3Low125 Ų125114.1 Ų114.154%0.54360%0.596SS.*SBendtrans-59.7120.3163.2-85.9162.6-166.7166.40106.5I213 D219I213-K217 VanDerWaalsContact O-CG 3.29Å; I213-K217 WeakPolarHBondContact O-CG 3.16Å; I213-K217 PolarHBondContact O-N 3.41Å; I213-K217 VanDerWaalsContact O-N 3.12Å; K217-D219 PolarHBondContact O-N 3.48Å
218P48.7Very low58.8Low107 Ų107118 Ų11870%0.69560%0.603SS**  trans-59.1124.1178.125.7-32.6000106.9N216 R220N216-P218 WeakPolarHBondContact O-CD 3.23Å; P218-R220 PolarHBondContact O-N 3.47Å
219D44.7Very low57.3Low84 Ų84120.8 Ų120.845%0.44962%0.616SS.*  trans-69.343.9-172.3-126.711.4000112.6K217 M221 K222K217-D219 PolarHBondContact O-N 3.48Å; D219-M221 PolarHBondContact O-N 2.91Å; D219-M221 VanDerWaalsContact O-N 3.14Å; D219-K222 WeakPolarHBondContact OD1-CB 3.41Å
220R45.7Very low56.3Low196 Ų196117.8 Ų117.874%0.7462%0.616SS**THydrogen-bonded Turntrans-73.65.6174.1-71.7-160.3169.9-152-2.3113.2P218P218-R220 PolarHBondContact O-N 3.47Å
221M48.3Very low55.9Low178 Ų178120.9 Ų120.988%0.87762%0.624SS**THydrogen-bonded Turntrans-137.610.4175.5-73.9-176.3151.900114.3D219D219-M221 PolarHBondContact O-N 2.91Å; D219-M221 VanDerWaalsContact O-N 3.14Å
222K45.7Very low56.2Low121 Ų121124.8 Ų124.853%0.52664%0.639SS.*THydrogen-bonded Turntrans-137.3-5.3-179.6-104.2179.2-172179.40115.5D219 S224 A225D219-K222 WeakPolarHBondContact OD1-CB 3.41Å; K222-S224 PolarHBondContact O-N 3.45Å; K222-A225 PolarHBondContact O-N 2.91Å
223E42.7Very low56.7Low167 Ų167124.4 Ų124.478%0.7863%0.634SS**THydrogen-bonded Turntrans-71.3-2.7162.4-80.8-176.516300113.8
224S43.5Very low57.3Low84 Ų84133.1 Ų133.159%0.58766%0.662SS**THydrogen-bonded Turntrans-90.7-17.5169.9-25.70000113.5K222K222-S224 PolarHBondContact O-N 3.45Å
225A44.8Very low58.4Low42 Ų42131.2 Ų131.235%0.34766%0.659SS.*THydrogen-bonded Turntrans-101.4-9.6-164.800000114.4K222K222-A225 PolarHBondContact O-N 2.91Å
226N40Very low59.6Low159 Ų159132.3 Ų132.385%0.8566%0.66SS**THydrogen-bonded Turntrans-99.611.2178-97.2-9.9000114.6
227N43.1Very low61Low148 Ų148131.9 Ų131.979%0.79166%0.657SS**THydrogen-bonded Turntrans-113.519.1161.7-75.7-34.5000111.8E229N227-E229 PolarHBondContact O-N 3.34Å; N227-E229 VanDerWaalsContact O-N 3.11Å
228E51.8Low62.5Low141 Ų141127.6 Ų127.666%0.65965%0.645SS**  trans-84.153.6174.4-63.3-174.7-171.500111.8G230E228-G230 PolarHBondContact O-N 2.81Å
229E51.1Low64.5Low188 Ų188123.5 Ų123.588%0.87962%0.62SS**SBendtrans-70.180.8132.2-79.8-169.9172.200104.6N227 I231N227-E229 PolarHBondContact O-N 3.34Å; N227-E229 VanDerWaalsContact O-N 3.11Å; E229-I231 PolarHBondContact O-N 3.34Å
230G60.8Low66.7Low51 Ų51123 Ų12353%0.52662%0.618SS.*  trans-45.3111.8-164.500000111.1E228 Q232E228-G230 PolarHBondContact O-N 2.81Å; G230-Q232 VanDerWaalsContact C-N 3.33Å; G230-Q232 PolarHBondContact O-N 2.89Å
231I74.4Confident69Low119 Ų119118 Ų11861%0.6160%0.604SS**  trans-60103.2174.4-61.9168.7000106E229 F233E229-I231 PolarHBondContact O-N 3.34Å; I231-F233 HydrophobicContact CB-CE1 4.3Å; I231-F233 HydrophobicContact CB-CE2 4.35Å; I231-F233 HydrophobicContact CB-CZ 3.89Å; I231-F233 HydrophobicContact CG2-CD1 4.04Å; I231-F233 HydrophobicContact CG2-CE1 3.44Å; I231-F233 VanDerWaalsContact CG2-CE1 3.44Å; I231-F233 HydrophobicContact CG2-CE2 4.26Å; I231-F233 HydrophobicContact CG2-CZ 3.55Å; I231-F233 WeakPolarHBondContact O-CD2 3.46Å; I231-F233 VanDerWaalsContact O-CE2 3.28Å; I231-F233 WeakPolarHBondContact O-CE2 3.36Å; I231-F233 PolarHBondContact O-N 2.86Å
232Q81.5Confident70.9Confident187 Ų187110.5 Ų110.587%0.87457%0.569SS**  trans-77.1109.5177.1-69.3-172.1-11.200108.2G230G230-Q232 VanDerWaalsContact C-N 3.33Å; G230-Q232 PolarHBondContact O-N 2.89Å
233F85.8Confident72.9Confident80 Ų80108 Ų10835%0.35156%0.562SS.*  trans-81.3122.1174.9-56.1-74.6000109.9I231 T235 A238 A239 C242I231-F233 HydrophobicContact CB-CE1 4.3Å; I231-F233 HydrophobicContact CB-CE2 4.35Å; I231-F233 HydrophobicContact CB-CZ 3.89Å; I231-F233 HydrophobicContact CG2-CD1 4.04Å; I231-F233 HydrophobicContact CG2-CE1 3.44Å; I231-F233 VanDerWaalsContact CG2-CE1 3.44Å; I231-F233 HydrophobicContact CG2-CE2 4.26Å; I231-F233 HydrophobicContact CG2-CZ 3.55Å; I231-F233 WeakPolarHBondContact O-CD2 3.46Å; I231-F233 VanDerWaalsContact O-CE2 3.28Å; I231-F233 WeakPolarHBondContact O-CE2 3.36Å; I231-F233 PolarHBondContact O-N 2.86Å; F233-T235 PolarHBondContact O-N 3.43Å; F233-A238 HydrophobicContact CB-CB 4.41Å; F233-A238 HydrophobicContact CD1-CB 4.01Å; F233-A239 HydrophobicContact CB-CB 3.82Å; F233-A239 HydrophobicContact CD2-CB 3.61Å; F233-A239 HydrophobicContact CE2-CB 4.39Å; F233-A239 HydrophobicContact CG-CB 3.74Å; F233-C242 HydrophobicContact CD1-CB 4.48Å; F233-C242 HydrophobicContact CE1-CB 3.48Å; F233-C242 VanDerWaalsContact CE1-CB 3.48Å; F233-C242 HydrophobicContact CE2-CB 4.24Å; F233-C242 HydrophobicContact CZ-CB 3.36Å; F233-C242 WeakPolarHBondContact CZ-SG 3.39Å
234R89.8Confident75.1Confident251 Ų251103.6 Ų103.695%0.94755%0.546SS*.SBendtrans-67-25.7173.2-70.5-174.2175.3-177.1-2113.3
235T93.5Very high77.3Confident77 Ų77104.8 Ų104.847%0.47255%0.545SS..SBendtrans-128.5140.6-175.359.90000110.2F233 L237 A238 A239F233-T235 PolarHBondContact O-N 3.43Å; T235-L237 PolarHBondContact O-N 2.86Å; T235-A238 PolarHBondContact O-N 3.44Å; T235-A238 VanDerWaalsContact O-N 3.12Å; T235-A238 WeakPolarHBondContact OG1-CB 3.28Å; T235-A238 PolarHBondContact OG1-N 3.37Å; T235-A239 PolarHBondContact O-N 3.23Å
236H90.4Very high79.2Confident146 Ų146110.1 Ų110.168%0.67656%0.56SS**Hα-helixtrans-59.7-32175.1-165-59.9000112.4A239 N240H236-A239 PolarHBondContact O-N 3.03Å; H236-N240 PolarHBondContact CE1-ND2 3.05Å; H236-N240 PolarHBondContact CE1-OD1 3.49Å; H236-N240 PolarHBondContact ND1-ND2 2.93Å; H236-N240 VanDerWaalsContact ND1-ND2 3.13Å; H236-N240 PolarHBondContact ND1-OD1 3.5Å; H236-N240 VanDerWaalsContact O-CG 3.28Å; H236-N240 PolarHBondContact O-N 3.47Å; H236-N240 PolarHBondContact O-OD1 3.31Å
237L94.5Very high81.1Confident119 Ų119107.6 Ų107.662%0.62355%0.547SS*.Hα-helixtrans-62.4-46.4175-176.2153.6000111.4T235 A239 N240 I241T235-L237 PolarHBondContact O-N 2.86Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-A239 PolarHBondContact O-N 3.27Å; L237-N240 PolarHBondContact O-N 2.84Å; L237-I241 HydrophobicContact CD2-CD1 3.39Å; L237-I241 HydrophobicContact CD2-CG1 4.13Å; L237-I241 HydrophobicContact CG-CD1 4.38Å; L237-I241 WeakPolarHBondContact O-CG1 3.43Å; L237-I241 PolarHBondContact O-N 3.17Å
238A92.4Very high82.9Confident34 Ų34106.3 Ų106.328%0.28154%0.536SS..Hα-helixtrans-63.1-38.8176.600000112.3F233 T235 I241 C242F233-A238 HydrophobicContact CB-CB 4.41Å; F233-A238 HydrophobicContact CD1-CB 4.01Å; T235-A238 PolarHBondContact O-N 3.44Å; T235-A238 VanDerWaalsContact O-N 3.12Å; T235-A238 WeakPolarHBondContact OG1-CB 3.28Å; T235-A238 PolarHBondContact OG1-N 3.37Å; A238-I241 PolarHBondContact O-N 2.86Å; A238-C242 WeakPolarHBondContact O-CB 3.29Å; A238-C242 PolarHBondContact O-N 3.38Å
239A89.8Confident84.2Confident21 Ų21109.3 Ų109.317%0.17454%0.541CS..Hα-helixtrans-61.6-44.5174.100000111.6F233 T235 H236 L237 C242 N243F233-A239 HydrophobicContact CB-CB 3.82Å; F233-A239 HydrophobicContact CD2-CB 3.61Å; F233-A239 HydrophobicContact CE2-CB 4.39Å; F233-A239 HydrophobicContact CG-CB 3.74Å; T235-A239 PolarHBondContact O-N 3.23Å; H236-A239 PolarHBondContact O-N 3.03Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-A239 PolarHBondContact O-N 3.27Å; A239-C242 PolarHBondContact O-N 3.09Å; A239-N243 WeakPolarHBondContact O-CB 3.45Å; A239-N243 VanDerWaalsContact O-CG 3.27Å; A239-N243 PolarHBondContact O-N 2.88Å; A239-N243 PolarHBondContact O-ND2 3.31Å
240N91.6Very high85.4Confident75 Ų75107.6 Ų107.640%0.40154%0.538SS..Hα-helixtrans-64.7-44.5177.6-71.9-4.4000112.2H236 L237 C242 N243 V244H236-N240 PolarHBondContact CE1-ND2 3.05Å; H236-N240 PolarHBondContact CE1-OD1 3.49Å; H236-N240 PolarHBondContact ND1-ND2 2.93Å; H236-N240 VanDerWaalsContact ND1-ND2 3.13Å; H236-N240 PolarHBondContact ND1-OD1 3.5Å; H236-N240 VanDerWaalsContact O-CG 3.28Å; H236-N240 PolarHBondContact O-N 3.47Å; H236-N240 PolarHBondContact O-OD1 3.31Å; L237-N240 PolarHBondContact O-N 2.84Å; N240-C242 VanDerWaalsContact C-N 3.29Å; N240-C242 PolarHBondContact O-N 3.28Å; N240-N243 PolarHBondContact O-N 3.43Å; N240-V244 WeakPolarHBondContact O-CG2 3.46Å; N240-V244 PolarHBondContact O-N 3.1Å
241I92.6Very high86.4Confident89 Ų89110.9 Ų110.946%0.45655%0.549SS..Hα-helixtrans-59.5-44175.8-70.2179.1000110.3L237 A238 N243 V244 I245L237-I241 HydrophobicContact CD2-CD1 3.39Å; L237-I241 HydrophobicContact CD2-CG1 4.13Å; L237-I241 HydrophobicContact CG-CD1 4.38Å; L237-I241 WeakPolarHBondContact O-CG1 3.43Å; L237-I241 PolarHBondContact O-N 3.17Å; A238-I241 PolarHBondContact O-N 2.86Å; I241-N243 VanDerWaalsContact C-N 3.34Å; I241-N243 PolarHBondContact O-N 3.39Å; I241-V244 PolarHBondContact O-N 3.13Å; I241-I245 HydrophobicContact CG2-CD1 3.54Å; I241-I245 HydrophobicContact CG2-CG1 4.31Å; I241-I245 WeakPolarHBondContact O-CB 3.35Å; I241-I245 VanDerWaalsContact O-CG1 3.28Å; I241-I245 WeakPolarHBondContact O-CG1 3.34Å; I241-I245 PolarHBondContact O-N 3.07Å
242C89.6Confident86.7Confident21 Ų21114.5 Ų114.514%0.14256%0.564CS.*Hα-helixtrans-64-41.3177.8-165.70000111.5F233 A238 A239 N240 I245 F246F233-C242 HydrophobicContact CD1-CB 4.48Å; F233-C242 HydrophobicContact CE1-CB 3.48Å; F233-C242 VanDerWaalsContact CE1-CB 3.48Å; F233-C242 HydrophobicContact CE2-CB 4.24Å; F233-C242 HydrophobicContact CZ-CB 3.36Å; F233-C242 WeakPolarHBondContact CZ-SG 3.39Å; A238-C242 WeakPolarHBondContact O-CB 3.29Å; A238-C242 PolarHBondContact O-N 3.38Å; A239-C242 PolarHBondContact O-N 3.09Å; N240-C242 VanDerWaalsContact C-N 3.29Å; N240-C242 PolarHBondContact O-N 3.28Å; C242-I245 PolarHBondContact O-N 3.09Å; C242-F246 HydrophobicContact CB-CD2 4.37Å; C242-F246 WeakPolarHBondContact O-CB 3.39Å; C242-F246 WeakPolarHBondContact O-CD2 3.22Å; C242-F246 PolarHBondContact O-N 3.24Å; C242-F246 WeakPolarHBondContact SG-CD2 3.25Å
243N88.1Confident86.9Confident69 Ų69113.6 Ų113.637%0.36955%0.553SS.*Iπ-helixtrans-61.6-47.3175.3-74.3-20.8000111.8A239 N240 I241 I245 N247 E248A239-N243 WeakPolarHBondContact O-CB 3.45Å; A239-N243 VanDerWaalsContact O-CG 3.27Å; A239-N243 PolarHBondContact O-N 2.88Å; A239-N243 PolarHBondContact O-ND2 3.31Å; N240-N243 PolarHBondContact O-N 3.43Å; I241-N243 VanDerWaalsContact C-N 3.34Å; I241-N243 PolarHBondContact O-N 3.39Å; N243-I245 PolarHBondContact O-N 3.2Å; N243-N247 CarbonylContact O-C 3.47Å; N243-N247 VanDerWaalsContact O-CA 3.31Å; N243-N247 WeakPolarHBondContact O-CA 3.34Å; N243-N247 VanDerWaalsContact O-CB 3.28Å; N243-N247 WeakPolarHBondContact O-CB 3.32Å; N243-N247 PolarHBondContact O-N 2.82Å; N243-N247 PolarHBondContact OD1-ND2 2.72Å; N243-E248 PolarHBondContact O-N 2.97Å
244V88.5Confident86.9Confident75 Ų75113.2 Ų113.246%0.45555%0.554SS.*Iπ-helixtrans-65.5-37.6179.9173.10000112.1N240 I241N240-V244 WeakPolarHBondContact O-CG2 3.46Å; N240-V244 PolarHBondContact O-N 3.1Å; I241-V244 PolarHBondContact O-N 3.13Å
245I88.3Confident86.8Confident109 Ų109105.2 Ų105.256%0.55953%0.527SS*.Iπ-helixtrans-79.3-42.8-177.1-67.4174.8000112.1I241 C242 N243I241-I245 HydrophobicContact CG2-CD1 3.54Å; I241-I245 HydrophobicContact CG2-CG1 4.31Å; I241-I245 WeakPolarHBondContact O-CB 3.35Å; I241-I245 VanDerWaalsContact O-CG1 3.28Å; I241-I245 WeakPolarHBondContact O-CG1 3.34Å; I241-I245 PolarHBondContact O-N 3.07Å; C242-I245 PolarHBondContact O-N 3.09Å; N243-I245 PolarHBondContact O-N 3.2Å
246F86.2Confident86.6Confident153 Ų153106.5 Ų106.567%0.67152%0.524SS*.Iπ-helixtrans-106.8-30.4-168.3-61-76.3000113.6C242C242-F246 HydrophobicContact CB-CD2 4.37Å; C242-F246 WeakPolarHBondContact O-CB 3.39Å; C242-F246 WeakPolarHBondContact O-CD2 3.22Å; C242-F246 PolarHBondContact O-N 3.24Å; C242-F246 WeakPolarHBondContact SG-CD2 3.25Å
247N79.4Confident86.6Confident107 Ų107105.6 Ų105.657%0.57252%0.519SS*.Iπ-helixtrans-101.2-30.3-174.6-61.9-20.5000112.4N243 R249N243-N247 CarbonylContact O-C 3.47Å; N243-N247 VanDerWaalsContact O-CA 3.31Å; N243-N247 WeakPolarHBondContact O-CA 3.34Å; N243-N247 VanDerWaalsContact O-CB 3.28Å; N243-N247 WeakPolarHBondContact O-CB 3.32Å; N243-N247 PolarHBondContact O-N 2.82Å; N243-N247 PolarHBondContact OD1-ND2 2.72Å; N247-R249 PolarHBondContact O-N 3.42Å
248E80.5Confident86.1Confident121 Ų121103.9 Ų103.957%0.56551%0.507SS*.SBendtrans-79.1115.1173.7-68.6-174173.500110.9N243 L250N243-E248 PolarHBondContact O-N 2.97Å; E248-L250 PolarHBondContact O-N 2.81Å
249R78.6Confident85.8Confident203 Ų203104.4 Ų104.477%0.76651%0.508SS*.PPolyproline II helixtrans-71.6118.2166.5-71.1-174.8-179.8137.44.9108.1N247N247-R249 PolarHBondContact O-N 3.42Å
250L78.2Confident85.7Confident153 Ų153104.7 Ų104.780%0.80151%0.513SS*.PPolyproline II helixtrans-50.5138.9170.9-63.1174.2000109.8E248 E252E248-L250 PolarHBondContact O-N 2.81Å; L250-E252 PolarHBondContact O-N 3.22Å
251P80.4Confident85.6Confident119 Ų119102 Ų10277%0.77350%0.497SS*.PPolyproline II helixtrans-58.6135.8-179.623-32.3000110.3R253P251-R253 PolarHBondContact O-N 3.44Å; P251-R253 VanDerWaalsContact O-N 3.09Å
252E82.2Confident85.7Confident195 Ų195100.1 Ų100.191%0.91149%0.487SS*.  trans-62.1114.2178.9-171.7176.9175.400109.4L250 N254L250-E252 PolarHBondContact O-N 3.22Å; E252-N254 PolarHBondContact O-N 3.15Å
253R83.7Confident85.8Confident169 Ų169101 Ų10164%0.63850%0.496SS*.  trans-73115.3-179.9-173.2174.4177.2-178.4-4.2109P251 E255P251-R253 PolarHBondContact O-N 3.44Å; P251-R253 VanDerWaalsContact O-N 3.09Å; R253-E255 PolarHBondContact O-N 3.39Å; R253-E255 VanDerWaalsContact O-N 3.14Å
254N87.3Confident86Confident71 Ų71104.4 Ų104.438%0.3851%0.505SS..  trans-57.7122176.31776.5000110.3E252 Y256 F257E252-N254 PolarHBondContact O-N 3.15Å; N254-Y256 PolarHBondContact O-N 3.26Å; N254-Y256 WeakPolarHBondContact OD1-CD2 3.42Å; N254-Y256 PolarHBondContact OD1-N 3.15Å; N254-Y256 VanDerWaalsContact OD1-N 3.09Å; N254-F257 HydrophobicContact CB-CD2 3.65Å; N254-F257 HydrophobicContact CB-CE2 3.85Å; N254-F257 WeakPolarHBondContact ND2-CE2 3.29Å; N254-F257 PolarHBondContact O-N 3.44Å; N254-F257 VanDerWaalsContact O-N 3.1Å
255E87.4Confident86.1Confident83 Ų83107.7 Ų107.739%0.38851%0.509SS..G310 helixtrans-56.7-30.5-177.9-82.6-159.6173.300114.3R253 F257 Q258 R261 K285R253-E255 PolarHBondContact O-N 3.39Å; R253-E255 VanDerWaalsContact O-N 3.14Å; E255-F257 PolarHBondContact O-N 2.85Å; E255-Q258 WeakPolarHBondContact O-CB 3.46Å; E255-Q258 VanDerWaalsContact O-CG 3.31Å; E255-Q258 WeakPolarHBondContact O-CG 3.43Å; E255-Q258 PolarHBondContact O-N 3.01Å; E255-R261 VanDerWaalsContact O-CD 3.31Å; E255-R261 WeakPolarHBondContact O-CD 3.37Å; E255-R261 PolarHBondContact O-NH1 2.8Å; E255-R261 IonicContact OE2-CZ 3.37Å; E255-R261 IonicContact OE2-NH1 3.1Å; E255-R261 PolarHBondContact OE2-NH1 3.18Å; E255-R261 VanDerWaalsContact OE2-NH1 3.1Å; E255-R261 IonicContact OE2-NH2 2.75Å; E255-R261 PolarHBondContact OE2-NH2 3.17Å; E255-K285 VanDerWaalsContact CD-CE 3.49Å; E255-K285 IonicContact OE1-NZ 2.69Å; E255-K285 PolarHBondContact OE1-NZ 2.97Å; E255-K285 WeakPolarHBondContact OE2-CE 3.5Å; E255-K285 IonicContact OE2-NZ 2.83Å; E255-K285 PolarHBondContact OE2-NZ 3.2Å
256Y89.6Confident86.2Confident104 Ų104107 Ų10741%0.40851%0.505SS..G310 helixtrans-68.8-19.6179.4-60.4-51.5000113.6N254 Q258 R261 M262 I282N254-Y256 PolarHBondContact O-N 3.26Å; N254-Y256 WeakPolarHBondContact OD1-CD2 3.42Å; N254-Y256 PolarHBondContact OD1-N 3.15Å; N254-Y256 VanDerWaalsContact OD1-N 3.09Å; Y256-Q258 VanDerWaalsContact C-N 3.26Å; Y256-Q258 PolarHBondContact O-N 2.92Å; Y256-R261 HydrophobicContact CD1-CG 4.5Å; Y256-M262 VanDerWaalsContact O-CB 3.25Å; Y256-M262 WeakPolarHBondContact O-CB 3.4Å; Y256-M262 PolarHBondContact O-N 3.37Å; Y256-I282 HydrophobicContact CD1-CD1 4.25Å; Y256-I282 HydrophobicContact CD1-CG2 3.82Å; Y256-I282 HydrophobicContact CE1-CD1 4.11Å; Y256-I282 HydrophobicContact CE1-CG2 3.85Å
257F88.8Confident86.1Confident127 Ų127104.4 Ų104.456%0.55750%0.495SS*.G310 helixtrans-88.112.2175-57-51.9000113.2N254 E255 M262N254-F257 HydrophobicContact CB-CD2 3.65Å; N254-F257 HydrophobicContact CB-CE2 3.85Å; N254-F257 WeakPolarHBondContact ND2-CE2 3.29Å; N254-F257 PolarHBondContact O-N 3.44Å; N254-F257 VanDerWaalsContact O-N 3.1Å; E255-F257 PolarHBondContact O-N 2.85Å; F257-M262 HydrophobicContact CD1-CE 3.78Å; F257-M262 HydrophobicContact CE1-CE 3.4Å; F257-M262 HydrophobicContact CZ-CE 4.42Å
258Q85.1Confident86.4Confident83 Ų83106.1 Ų106.139%0.38850%0.504SS..SBendtrans-62.6139.2163.7-74.3177.7-23.200109.3E255 Y256 G260 R261E255-Q258 WeakPolarHBondContact O-CB 3.46Å; E255-Q258 VanDerWaalsContact O-CG 3.31Å; E255-Q258 WeakPolarHBondContact O-CG 3.43Å; E255-Q258 PolarHBondContact O-N 3.01Å; Y256-Q258 VanDerWaalsContact C-N 3.26Å; Y256-Q258 PolarHBondContact O-N 2.92Å; Q258-G260 PolarHBondContact O-N 2.86Å; Q258-G260 VanDerWaalsContact O-N 3.16Å; Q258-R261 HydrophobicContact CB-CB 4.04Å; Q258-R261 WeakPolarHBondContact O-CB 3.27Å; Q258-R261 PolarHBondContact O-N 3.26Å
259P86.5Confident86.4Confident46 Ų46109.7 Ų109.730%0.29952%0.52SS..THydrogen-bonded Turntrans-51.3124.7-179.8-28.735.5000111.9R261 I291 D292P259-R261 VanDerWaalsContact C-N 3.3Å; P259-R261 PolarHBondContact O-N 3.1Å; P259-I291 HydrophobicContact CB-CB 4.46Å; P259-D292 WeakPolarHBondContact CG-OD2 3.35Å
260G86.9Confident86.3Confident27 Ų27104.7 Ų104.728%0.27851%0.509SS..THydrogen-bonded Turntrans76.34-17900000115.8Q258 R283 C288Q258-G260 PolarHBondContact O-N 2.86Å; Q258-G260 VanDerWaalsContact O-N 3.16Å; G260-R283 PolarHBondContact O-NE 3.33Å; G260-R283 PolarHBondContact O-NH2 2.84Å; G260-C288 PolarHBondContact O-SG 3.49Å; G260-C288 VanDerWaalsContact O-SG 3.33Å
261R90.5Very high86Confident19 Ų19105.3 Ų105.37%0.07251%0.513CS..THydrogen-bonded Turntrans-81.1-44.4178.9-171.5149.1168.6-159.8-7.2113.4E255 Y256 Q258 P259 I282 R283 K285 C288E255-R261 VanDerWaalsContact O-CD 3.31Å; E255-R261 WeakPolarHBondContact O-CD 3.37Å; E255-R261 PolarHBondContact O-NH1 2.8Å; E255-R261 IonicContact OE2-CZ 3.37Å; E255-R261 IonicContact OE2-NH1 3.1Å; E255-R261 PolarHBondContact OE2-NH1 3.18Å; E255-R261 VanDerWaalsContact OE2-NH1 3.1Å; E255-R261 IonicContact OE2-NH2 2.75Å; E255-R261 PolarHBondContact OE2-NH2 3.17Å; Y256-R261 HydrophobicContact CD1-CG 4.5Å; Q258-R261 HydrophobicContact CB-CB 4.04Å; Q258-R261 WeakPolarHBondContact O-CB 3.27Å; Q258-R261 PolarHBondContact O-N 3.26Å; P259-R261 VanDerWaalsContact C-N 3.3Å; P259-R261 PolarHBondContact O-N 3.1Å; R261-I282 HydrophobicContact CG-CG2 4.5Å; R261-I282 CarbonylContact O-C 3.6Å; R261-I282 WeakPolarHBondContact O-CA 3.47Å; R261-R283 PolarHBondContact O-N 3.42Å; R261-K285 VanDerWaalsContact CZ-CG 3.46Å; R261-K285 VanDerWaalsContact NH1-CG 3.31Å; R261-C288 VanDerWaalsContact CA-SG 3.53Å
262M93.2Very high85.5Confident48 Ų48103 Ų10324%0.23650%0.5CS..EExtended strand (participates in β ladder)trans-113.6133.8176-171.817168.500110.4Y256 F257 Y264 T280 V281Y256-M262 VanDerWaalsContact O-CB 3.25Å; Y256-M262 WeakPolarHBondContact O-CB 3.4Å; Y256-M262 PolarHBondContact O-N 3.37Å; F257-M262 HydrophobicContact CD1-CE 3.78Å; F257-M262 HydrophobicContact CE1-CE 3.4Å; F257-M262 HydrophobicContact CZ-CE 4.42Å; M262-Y264 HydrophobicContact CE-CE2 4.47Å; M262-Y264 WeakPolarHBondContact CE-OH 3.33Å; M262-T280 HydrophobicContact CG-CG2 3.57Å; M262-T280 HydrophobicContact SD-CG2 3.71Å; M262-V281 WeakPolarHBondContact CA-O 3.37Å
263A92.7Very high84.9Confident40 Ų4095.3 Ų95.333%0.33147%0.466SS..EExtended strand (participates in β ladder)trans-135.2155.1174.400000110.2V281A263-V281 PolarHBondContact N-O 3.04Å; A263-V281 PolarHBondContact O-N 2.97Å
264Y92.9Very high84.4Confident140 Ų14094.3 Ų94.355%0.54947%0.473SS..EExtended strand (participates in β ladder)trans-107.5125.7173.4-62.5-75.5000109.4M262 P278 A279 T280M262-Y264 HydrophobicContact CE-CE2 4.47Å; M262-Y264 WeakPolarHBondContact CE-OH 3.33Å; Y264-P278 HydrophobicContact CD1-CB 4.21Å; Y264-P278 HydrophobicContact CG-CB 4.47Å; Y264-A279 CarbonylContact C-O 3.59Å; Y264-A279 WeakPolarHBondContact CA-O 3.26Å; Y264-T280 HydrophobicContact CE1-CG2 4.15Å; Y264-T280 VanDerWaalsContact CE1-OG1 3.32Å; Y264-T280 WeakPolarHBondContact CE1-OG1 3.3Å
265R90.6Very high83.9Confident145 Ų145100.2 Ų100.255%0.54750%0.496SS..EExtended strand (participates in β ladder)trans-96.2115.9172.5-178.9173.8177.7-109.1-6107.8E267 A279 V281R265-E267 IonicContact CZ-OE1 3.27Å; R265-E267 IonicContact NH1-OE1 2.86Å; R265-E267 PolarHBondContact NH1-OE1 3.03Å; R265-E267 IonicContact NH2-OE1 2.84Å; R265-E267 PolarHBondContact NH2-OE1 2.99Å; R265-A279 HydrophobicContact CB-CB 4.36Å; R265-A279 PolarHBondContact N-O 3.49Å; R265-A279 PolarHBondContact O-N 3.47Å; R265-V281 HydrophobicContact CB-CG2 4.15Å
266I89Confident83.6Confident94 Ų94102 Ų10248%0.48250%0.504SS..  trans-111121.3177.1-58.1170000106.4L268 V273 P278I266-L268 HydrophobicContact CG2-CD2 3.85Å; I266-L268 HydrophobicContact CG2-CG 4.47Å; I266-V273 HydrophobicContact CG2-CG1 3.58Å; I266-P278 HydrophobicContact CD1-CG 4.31Å; I266-P278 HydrophobicContact CG1-CB 3.78Å; I266-P278 HydrophobicContact CG1-CG 3.91Å
267E85.2Confident83.4Confident98 Ų98103.1 Ų103.146%0.45852%0.522SS..  trans-88.1111.1175.9-63.1-172.6173.200108R265 V273R265-E267 IonicContact CZ-OE1 3.27Å; R265-E267 IonicContact NH1-OE1 2.86Å; R265-E267 PolarHBondContact NH1-OE1 3.03Å; R265-E267 IonicContact NH2-OE1 2.84Å; R265-E267 PolarHBondContact NH2-OE1 2.99Å; E267-V273 WeakPolarHBondContact O-CG1 3.33Å; E267-V273 WeakPolarHBondContact O-CG2 3.45Å
268L84.9Confident83.4Confident143 Ų14399.5 Ų99.575%0.74951%0.511SS*.  trans-89.1-3-173.9-63.8173000113.7I266I266-L268 HydrophobicContact CG2-CD2 3.85Å; I266-L268 HydrophobicContact CG2-CG 4.47Å
269E81.9Confident83.6Confident196 Ų19698.1 Ų98.192%0.91651%0.514SS*.SBendtrans-80.5-21.6-172.4-66.9-178179.400113.4
270D75.2Confident83.9Confident98 Ų9899.5 Ų99.552%0.52452%0.521SS..SBendtrans-96.7120.5-177.1-129.3-10.5000109S272 V273D270-S272 PolarHBondContact O-N 2.91Å; D270-V273 WeakPolarHBondContact O-CG2 3.48Å; D270-V273 PolarHBondContact O-N 3.28Å
271D71.5Confident84.2Confident166 Ų166101.4 Ų101.489%0.88853%0.527SS*.THydrogen-bonded Turntrans-59.60.1177.2-67.3-32.4000113.8
272S69.9Low84.3Confident72 Ų72104.8 Ų104.850%0.50355%0.546SS..THydrogen-bonded Turntrans-91.12.1174.2-51.90000114.2D270 D274 F275D270-S272 PolarHBondContact O-N 2.91Å; S272-D274 PolarHBondContact O-N 2.98Å; S272-D274 VanDerWaalsContact O-N 3.08Å; S272-F275 PolarHBondContact O-N 2.79Å
273V69.3Low84.2Confident32 Ų32108 Ų10819%0.19456%0.556CS.*G310 helixtrans-55.3-31.8-174.3-148.20000113.1I266 E267 D270 F275 E276I266-V273 HydrophobicContact CG2-CG1 3.58Å; E267-V273 WeakPolarHBondContact O-CG1 3.33Å; E267-V273 WeakPolarHBondContact O-CG2 3.45Å; D270-V273 WeakPolarHBondContact O-CG2 3.48Å; D270-V273 PolarHBondContact O-N 3.28Å; V273-F275 PolarHBondContact O-N 2.78Å; V273-E276 PolarHBondContact O-N 3.44Å; V273-E276 VanDerWaalsContact O-N 3.11Å
274D74Confident84Confident149 Ų149108.6 Ų108.680%0.79756%0.557SS**G310 helixtrans-60.8-21.4-174.7-68.5-17.7000113.4S272S272-D274 PolarHBondContact O-N 2.98Å; S272-D274 VanDerWaalsContact O-N 3.08Å
275F76.3Confident83.7Confident195 Ų195107.2 Ų107.286%0.85555%0.554SS**G310 helixtrans-109.3-2.2-179.7-62.4-78.1000114S272 V273S272-F275 PolarHBondContact O-N 2.79Å; V273-F275 PolarHBondContact O-N 2.78Å
276E82.9Confident83.3Confident119 Ų119105.5 Ų105.556%0.55656%0.564SS**SBendtrans-95.3135.8-175.6-170165.6-173.200112.2V273 P278V273-E276 PolarHBondContact O-N 3.44Å; V273-E276 VanDerWaalsContact O-N 3.11Å; E276-P278 WeakPolarHBondContact O-CD 3.44Å
277V84Confident83Confident128 Ų128106.4 Ų106.478%0.77657%0.57SS**PPolyproline II helixtrans-74.2120.5175.91790000108.5A279V277-A279 PolarHBondContact O-N 3.45Å
278P88.9Confident82.4Confident52 Ų52102.3 Ų102.334%0.33855%0.552SS.*PPolyproline II helixtrans-54.7134.8179.9-28.236.2000112.7Y264 I266 E276 T280Y264-P278 HydrophobicContact CD1-CB 4.21Å; Y264-P278 HydrophobicContact CG-CB 4.47Å; I266-P278 HydrophobicContact CD1-CG 4.31Å; I266-P278 HydrophobicContact CG1-CB 3.78Å; I266-P278 HydrophobicContact CG1-CG 3.91Å; E276-P278 WeakPolarHBondContact O-CD 3.44Å; P278-T280 PolarHBondContact O-N 3.16Å
279A89.1Confident81.6Confident53 Ų53102.6 Ų102.644%0.43855%0.553SS.*EExtended strand (participates in β ladder)trans-67.8124.2177.900000110.1Y264 R265 V277Y264-A279 CarbonylContact C-O 3.59Å; Y264-A279 WeakPolarHBondContact CA-O 3.26Å; R265-A279 HydrophobicContact CB-CB 4.36Å; R265-A279 PolarHBondContact N-O 3.49Å; R265-A279 PolarHBondContact O-N 3.47Å; V277-A279 PolarHBondContact O-N 3.45Å
280T93.8Very high80.7Confident75 Ų7598.6 Ų98.646%0.4654%0.535SS..EExtended strand (participates in β ladder)trans-85.8122.1178.2-53.30000110.3M262 Y264 P278 I282M262-T280 HydrophobicContact CG-CG2 3.57Å; M262-T280 HydrophobicContact SD-CG2 3.71Å; Y264-T280 HydrophobicContact CE1-CG2 4.15Å; Y264-T280 VanDerWaalsContact CE1-OG1 3.32Å; Y264-T280 WeakPolarHBondContact CE1-OG1 3.3Å; P278-T280 PolarHBondContact O-N 3.16Å; T280-I282 HydrophobicContact CG2-CG1 4.27Å
281V92.3Very high80Confident67 Ų67100.1 Ų100.141%0.40654%0.542SS..EExtended strand (participates in β ladder)trans-106123.8176.7-178.60000109.1M262 A263 R265M262-V281 WeakPolarHBondContact CA-O 3.37Å; A263-V281 PolarHBondContact N-O 3.04Å; A263-V281 PolarHBondContact O-N 2.97Å; R265-V281 HydrophobicContact CB-CG2 4.15Å
282I93Very high79.2Confident90 Ų9096.1 Ų96.146%0.46252%0.52SS..EExtended strand (participates in β ladder)trans-113.7119.2179.2-57.6174.4000109.1Y256 R261 T280Y256-I282 HydrophobicContact CD1-CD1 4.25Å; Y256-I282 HydrophobicContact CD1-CG2 3.82Å; Y256-I282 HydrophobicContact CE1-CD1 4.11Å; Y256-I282 HydrophobicContact CE1-CG2 3.85Å; R261-I282 HydrophobicContact CG-CG2 4.5Å; R261-I282 CarbonylContact O-C 3.6Å; R261-I282 WeakPolarHBondContact O-CA 3.47Å; T280-I282 HydrophobicContact CG2-CG1 4.27Å
283R90.4Very high78.3Confident117 Ų11795 Ų9544%0.44252%0.52SS..  trans-85.3153.7173.7-66.7-161.3-69.3-104.712.7111.2G260 R261G260-R283 PolarHBondContact O-NE 3.33Å; G260-R283 PolarHBondContact O-NH2 2.84Å; R261-R283 PolarHBondContact O-N 3.42Å
284S89.3Confident77.7Confident51 Ų51105 Ų10536%0.35755%0.554SS.*  trans-65.3156.2174.684.50000110.6S286 D287 C288S284-S286 PolarHBondContact O-N 3.31Å; S284-S286 PolarHBondContact OG-N 2.79Å; S284-D287 WeakPolarHBondContact CB-OD2 3.44Å; S284-D287 PolarHBondContact O-N 2.99Å; S284-D287 PolarHBondContact OG-N 3.25Å; S284-D287 VanDerWaalsContact OG-N 3.16Å; S284-D287 PolarHBondContact OG-OD2 3.37Å; S284-C288 PolarHBondContact O-N 3.5Å; S284-C288 PolarHBondContact O-SG 2.99Å
285K86Confident76.6Confident111 Ų11199 Ų9948%0.48353%0.528SS..THydrogen-bonded Turntrans-55.6-33.7174.1-71.9-176-178-171.70112.4E255 R261E255-K285 VanDerWaalsContact CD-CE 3.49Å; E255-K285 IonicContact OE1-NZ 2.69Å; E255-K285 PolarHBondContact OE1-NZ 2.97Å; E255-K285 WeakPolarHBondContact OE2-CE 3.5Å; E255-K285 IonicContact OE2-NZ 2.83Å; E255-K285 PolarHBondContact OE2-NZ 3.2Å; R261-K285 VanDerWaalsContact CZ-CG 3.46Å; R261-K285 VanDerWaalsContact NH1-CG 3.31Å
286S82.9Confident75.4Confident110 Ų11096.6 Ų96.677%0.76953%0.53SS*.THydrogen-bonded Turntrans-77.4-31.7-175.2-46.20000112.6S284S284-S286 PolarHBondContact O-N 3.31Å; S284-S286 PolarHBondContact OG-N 2.79Å
287D81.8Confident74.2Confident112 Ų11294.4 Ų94.460%0.59954%0.539SS*.THydrogen-bonded Turntrans-86.9-12.4-177.1-57.2-37000113.1S284 L289S284-D287 WeakPolarHBondContact CB-OD2 3.44Å; S284-D287 PolarHBondContact O-N 2.99Å; S284-D287 PolarHBondContact OG-N 3.25Å; S284-D287 VanDerWaalsContact OG-N 3.16Å; S284-D287 PolarHBondContact OG-OD2 3.37Å; D287-L289 PolarHBondContact O-N 3.44Å
288C74Confident72.9Confident12 Ų1290.8 Ų90.88%0.08152%0.522CS..SBendtrans-79.2102.2173.3-59.70000108.4G260 R261 S284 Q290G260-C288 PolarHBondContact O-SG 3.49Å; G260-C288 VanDerWaalsContact O-SG 3.33Å; R261-C288 VanDerWaalsContact CA-SG 3.53Å; S284-C288 PolarHBondContact O-N 3.5Å; S284-C288 PolarHBondContact O-SG 2.99Å; C288-Q290 PolarHBondContact O-N 3.47Å
289L68.2Low71.8Confident149 Ų14994 Ų9478%0.7854%0.535SS*.  trans-51.3118.3164.5-62.9176.3000107.1D287 I291D287-L289 PolarHBondContact O-N 3.44Å; L289-I291 PolarHBondContact O-N 2.99Å
290Q62.5Low71.4Confident112 Ų11294.3 Ų94.352%0.52353%0.532SS..  trans-67.189.1179.1-63.6-174.520.800107.9C288 D292 G295 T296C288-Q290 PolarHBondContact O-N 3.47Å; Q290-D292 PolarHBondContact O-N 3.03Å; Q290-G295 PolarHBondContact OE1-O 3.12Å; Q290-T296 PolarHBondContact NE2-OG1 2.86Å
291I59.4Low70.9Confident131 Ų13196 Ų9667%0.67254%0.542SS*.  trans-68.5-25.8176.7-68.4164.6000109.6P259 L289 G293P259-I291 HydrophobicContact CB-CB 4.46Å; L289-I291 PolarHBondContact O-N 2.99Å; I291-G293 VanDerWaalsContact C-N 3.32Å; I291-G293 PolarHBondContact O-N 3.36Å
292D54.5Low70.7Confident82 Ų8298.4 Ų98.444%0.43955%0.553SS.*SBendtrans-71.892.6163.9-66.3-13.2000107.5P259 Q290 R294P259-D292 WeakPolarHBondContact CG-OD2 3.35Å; Q290-D292 PolarHBondContact O-N 3.03Å; D292-R294 PolarHBondContact O-N 2.82Å
293G52.3Low70.4Confident48 Ų4898.2 Ų98.250%0.49555%0.55SS..THydrogen-bonded Turntrans-62.147.5-178.400000115.4I291I291-G293 VanDerWaalsContact C-N 3.32Å; I291-G293 PolarHBondContact O-N 3.36Å
294R55.6Low70.3Confident241 Ų24196.2 Ų96.291%0.90955%0.547SS*.THydrogen-bonded Turntrans-130.5-2.2-176.2-107.2169.8176.1-166.7-3.5113.9D292D292-R294 PolarHBondContact O-N 2.82Å
295G51.8Low70.6Confident24 Ų2497.4 Ų97.425%0.24755%0.552CS.*SBendtrans-127.5121.2171.500000111.1Q290 G297Q290-G295 PolarHBondContact OE1-O 3.12Å; G295-G297 VanDerWaalsContact C-N 3.28Å; G295-G297 PolarHBondContact O-N 3.36Å
296T51.9Low70.9Confident145 Ų14596.7 Ų96.789%0.8955%0.552SS**SBendtrans66.2-18.316444.40000120.4Q290Q290-T296 PolarHBondContact NE2-OG1 2.86Å
297G56.5Low71.3Confident73 Ų7396.5 Ų96.575%0.75354%0.543SS*.SBendtrans-114.5-23.8-171.300000118.1G295G295-G297 VanDerWaalsContact C-N 3.28Å; G295-G297 PolarHBondContact O-N 3.36Å
298A56.6Low71.9Confident51 Ų5197.4 Ų97.442%0.42154%0.541SS..  trans-128.373-174.700000110T300A298-T300 VanDerWaalsContact C-N 3.26Å; A298-T300 PolarHBondContact O-N 3.37Å
299I66.6Low72.9Confident121 Ų121101 Ų10162%0.62156%0.559SS**  trans-58100.7161-70.7167.3000105.7E303 I304I299-E303 HydrophobicContact CG2-CB 4.43Å; I299-I304 HydrophobicContact CG2-CD1 3.83Å; I299-I304 HydrophobicContact CG2-CG1 3.21Å
300T79.7Confident74.1Confident59 Ų5997.8 Ų97.836%0.36255%0.546SS..  trans-66150.9-177.966.40000108.5A298 N302 E303 I304A298-T300 VanDerWaalsContact C-N 3.26Å; A298-T300 PolarHBondContact O-N 3.37Å; T300-N302 PolarHBondContact O-N 2.98Å; T300-N302 VanDerWaalsContact O-N 3.07Å; T300-E303 PolarHBondContact N-OE2 2.96Å; T300-E303 WeakPolarHBondContact O-CA 3.46Å; T300-E303 WeakPolarHBondContact O-CB 3.32Å; T300-E303 PolarHBondContact O-N 3.49Å; T300-E303 WeakPolarHBondContact OG1-CG 3.39Å; T300-E303 PolarHBondContact OG1-N 3.21Å; T300-E303 VanDerWaalsContact OG1-N 3.14Å; T300-I304 PolarHBondContact O-N 3.5Å
301T83.9Confident75.5Confident110 Ų11097.3 Ų97.368%0.67554%0.544SS*.Hα-helixtrans-52.5-34.8175-10.90000111.2I304 V305T301-I304 PolarHBondContact O-N 3.01Å; T301-V305 WeakPolarHBondContact O-CB 3.46Å; T301-V305 WeakPolarHBondContact O-CG2 3.38Å; T301-V305 PolarHBondContact O-N 3.2Å
302N88.4Confident77.2Confident117 Ų11795.3 Ų95.363%0.62653%0.534SS*.Hα-helixtrans-63.1-44.3174.4-65.8-22000112.1T300 V305 I306T300-N302 PolarHBondContact O-N 2.98Å; T300-N302 VanDerWaalsContact O-N 3.07Å; N302-V305 PolarHBondContact O-N 3.49Å; N302-I306 WeakPolarHBondContact O-CB 3.34Å; N302-I306 WeakPolarHBondContact O-CD1 3.46Å; N302-I306 WeakPolarHBondContact O-CG1 3.29Å; N302-I306 PolarHBondContact O-N 2.87Å
303E87.2Confident79Confident87 Ų8796.6 Ų96.641%0.40754%0.54SS..Hα-helixtrans-65.1-38.6175.8-77.8173.3170.800112.5I299 T300 V305 I306 N307I299-E303 HydrophobicContact CG2-CB 4.43Å; T300-E303 PolarHBondContact N-OE2 2.96Å; T300-E303 WeakPolarHBondContact O-CA 3.46Å; T300-E303 WeakPolarHBondContact O-CB 3.32Å; T300-E303 PolarHBondContact O-N 3.49Å; T300-E303 WeakPolarHBondContact OG1-CG 3.39Å; T300-E303 PolarHBondContact OG1-N 3.21Å; T300-E303 VanDerWaalsContact OG1-N 3.14Å; E303-V305 VanDerWaalsContact C-N 3.34Å; E303-I306 PolarHBondContact O-N 2.77Å; E303-N307 WeakPolarHBondContact O-CB 3.36Å; E303-N307 VanDerWaalsContact O-CG 3.27Å; E303-N307 PolarHBondContact O-N 3.5Å; E303-N307 PolarHBondContact O-ND2 3.46Å
304I88.4Confident80.7Confident75 Ų7597.4 Ų97.439%0.38554%0.538SS..Hα-helixtrans-60.9-47.6173.2-55.6177.4000109.9I299 T300 T301 N307 K308I299-I304 HydrophobicContact CG2-CD1 3.83Å; I299-I304 HydrophobicContact CG2-CG1 3.21Å; T300-I304 PolarHBondContact O-N 3.5Å; T301-I304 PolarHBondContact O-N 3.01Å; I304-N307 PolarHBondContact O-N 2.84Å; I304-K308 HydrophobicContact CG2-CD 4.26Å; I304-K308 HydrophobicContact CG2-CG 4.46Å; I304-K308 WeakPolarHBondContact O-CB 3.39Å; I304-K308 WeakPolarHBondContact O-CG 3.37Å; I304-K308 PolarHBondContact O-N 3.4Å
305V94.3Very high82.4Confident75 Ų7593.5 Ų93.546%0.45552%0.524SS..Hα-helixtrans-62.7-43.9179.3170.30000110.5T301 N302 E303 K308 L309T301-V305 WeakPolarHBondContact O-CB 3.46Å; T301-V305 WeakPolarHBondContact O-CG2 3.38Å; T301-V305 PolarHBondContact O-N 3.2Å; N302-V305 PolarHBondContact O-N 3.49Å; E303-V305 VanDerWaalsContact C-N 3.34Å; V305-K308 PolarHBondContact O-N 2.9Å; V305-L309 HydrophobicContact CG1-CD1 3.79Å; V305-L309 HydrophobicContact CG1-CG 4.25Å; V305-L309 WeakPolarHBondContact O-CB 3.31Å; V305-L309 VanDerWaalsContact O-CG 3.25Å; V305-L309 WeakPolarHBondContact O-CG 3.08Å; V305-L309 PolarHBondContact O-N 3.32Å
306I92.4Very high84.2Confident96 Ų9698.1 Ų98.149%0.49254%0.543SS..Hα-helixtrans-62.6-47.3177.5-69.7162.5000110.6N302 E303 K308 L309 T310N302-I306 WeakPolarHBondContact O-CB 3.34Å; N302-I306 WeakPolarHBondContact O-CD1 3.46Å; N302-I306 WeakPolarHBondContact O-CG1 3.29Å; N302-I306 PolarHBondContact O-N 2.87Å; E303-I306 PolarHBondContact O-N 2.77Å; I306-K308 PolarHBondContact O-N 2.86Å; I306-L309 PolarHBondContact O-N 3.32Å; I306-T310 WeakPolarHBondContact O-CB 3.32Å; I306-T310 PolarHBondContact O-N 2.88Å; I306-T310 PolarHBondContact O-OG1 2.83Å
307N92.2Very high85.8Confident106 Ų106102.3 Ų102.357%0.56754%0.542SS*.Hα-helixtrans-63.1-41.8178.5-73.5-23.3000111.6E303 I304 T310 Q311E303-N307 WeakPolarHBondContact O-CB 3.36Å; E303-N307 VanDerWaalsContact O-CG 3.27Å; E303-N307 PolarHBondContact O-N 3.5Å; E303-N307 PolarHBondContact O-ND2 3.46Å; I304-N307 PolarHBondContact O-N 2.84Å; N307-T310 PolarHBondContact O-N 3.11Å; N307-Q311 WeakPolarHBondContact O-CB 3.36Å; N307-Q311 PolarHBondContact O-N 2.88Å
308K93.7Very high86.9Confident131 Ų131101.6 Ų101.657%0.5753%0.529SS*.Hα-helixtrans-63.2-45.6173.9-77.4-172.1177-167.20112.2I304 V305 I306 T310 Q311 I312I304-K308 HydrophobicContact CG2-CD 4.26Å; I304-K308 HydrophobicContact CG2-CG 4.46Å; I304-K308 WeakPolarHBondContact O-CB 3.39Å; I304-K308 WeakPolarHBondContact O-CG 3.37Å; I304-K308 PolarHBondContact O-N 3.4Å; V305-K308 PolarHBondContact O-N 2.9Å; I306-K308 PolarHBondContact O-N 2.86Å; K308-T310 VanDerWaalsContact C-N 3.35Å; K308-Q311 PolarHBondContact O-N 3.49Å; K308-I312 WeakPolarHBondContact O-CB 3.45Å; K308-I312 VanDerWaalsContact O-CG1 3.24Å; K308-I312 WeakPolarHBondContact O-CG1 3.31Å; K308-I312 PolarHBondContact O-N 2.95Å
309L95.2Very high87Confident88 Ų88100.8 Ų100.846%0.46153%0.526SS..Hα-helixtrans-63.4-41.5176.3-74.1173.1000111.2V305 I306 Q311 I312 L313V305-L309 HydrophobicContact CG1-CD1 3.79Å; V305-L309 HydrophobicContact CG1-CG 4.25Å; V305-L309 WeakPolarHBondContact O-CB 3.31Å; V305-L309 VanDerWaalsContact O-CG 3.25Å; V305-L309 WeakPolarHBondContact O-CG 3.08Å; V305-L309 PolarHBondContact O-N 3.32Å; I306-L309 PolarHBondContact O-N 3.32Å; L309-Q311 VanDerWaalsContact C-N 3.3Å; L309-Q311 PolarHBondContact O-N 3.36Å; L309-I312 PolarHBondContact O-N 3.43Å; L309-L313 VanDerWaalsContact O-CB 3.27Å; L309-L313 WeakPolarHBondContact O-CB 3.36Å; L309-L313 WeakPolarHBondContact O-CG 3.48Å; L309-L313 PolarHBondContact O-N 2.81Å
310T93.1Very high86.7Confident82 Ų82105.1 Ų105.150%0.50354%0.54SS..Hα-helixtrans-61.2-41.7177.1-52.10000110.7I306 N307 K308 S314I306-T310 WeakPolarHBondContact O-CB 3.32Å; I306-T310 PolarHBondContact O-N 2.88Å; I306-T310 PolarHBondContact O-OG1 2.83Å; N307-T310 PolarHBondContact O-N 3.11Å; K308-T310 VanDerWaalsContact C-N 3.35Å; T310-S314 WeakPolarHBondContact O-CB 3.23Å; T310-S314 PolarHBondContact O-N 3.26Å
311Q92.3Very high85.7Confident101 Ų101112.9 Ų112.947%0.47256%0.563SS.*Hα-helixtrans-67.4-42.7174.4-170.3177.220.200112.4N307 K308 L309 L313 S314 Y315N307-Q311 WeakPolarHBondContact O-CB 3.36Å; N307-Q311 PolarHBondContact O-N 2.88Å; K308-Q311 PolarHBondContact O-N 3.49Å; L309-Q311 VanDerWaalsContact C-N 3.3Å; L309-Q311 PolarHBondContact O-N 3.36Å; Q311-L313 VanDerWaalsContact C-N 3.34Å; Q311-L313 PolarHBondContact O-N 3.24Å; Q311-S314 PolarHBondContact O-N 3.1Å; Q311-S314 PolarHBondContact O-OG 2.98Å; Q311-Y315 HydrophobicContact CG-CD2 3.95Å; Q311-Y315 HydrophobicContact CG-CE2 3.5Å; Q311-Y315 VanDerWaalsContact CG-CE2 3.5Å; Q311-Y315 WeakPolarHBondContact O-CD2 3.48Å; Q311-Y315 PolarHBondContact O-N 2.87Å
312I93.6Very high84.4Confident90 Ų90116.1 Ų116.146%0.46257%0.57SS.*Hα-helixtrans-62.2-43.6175.3-70.9163.6000110.7K308 L309 Y315 L316K308-I312 WeakPolarHBondContact O-CB 3.45Å; K308-I312 VanDerWaalsContact O-CG1 3.24Å; K308-I312 WeakPolarHBondContact O-CG1 3.31Å; K308-I312 PolarHBondContact O-N 2.95Å; L309-I312 PolarHBondContact O-N 3.43Å; I312-Y315 PolarHBondContact O-N 2.82Å; I312-L316 HydrophobicContact CG2-CD1 3.75Å; I312-L316 WeakPolarHBondContact O-CB 3.44Å; I312-L316 WeakPolarHBondContact O-CG 3.48Å; I312-L316 PolarHBondContact O-N 3.3Å
313L92.2Very high82.9Confident109 Ų109114.8 Ų114.857%0.57158%0.575SS**Hα-helixtrans-68.4-35.2178.1-70.6173.2000111.7L309 Q311 L316 R317L309-L313 VanDerWaalsContact O-CB 3.27Å; L309-L313 WeakPolarHBondContact O-CB 3.36Å; L309-L313 WeakPolarHBondContact O-CG 3.48Å; L309-L313 PolarHBondContact O-N 2.81Å; Q311-L313 VanDerWaalsContact C-N 3.34Å; Q311-L313 PolarHBondContact O-N 3.24Å; L313-L316 HydrophobicContact CD2-CD1 4.41Å; L313-L316 PolarHBondContact O-N 3.4Å; L313-R317 WeakPolarHBondContact O-CB 3.26Å; L313-R317 PolarHBondContact O-N 3.31Å
314S89.4Confident81.3Confident64 Ų64120.4 Ų120.445%0.44860%0.598SS.*Hα-helixtrans-67-40.8173.774.70000111.4T310 Q311 R317 A318T310-S314 WeakPolarHBondContact O-CB 3.23Å; T310-S314 PolarHBondContact O-N 3.26Å; Q311-S314 PolarHBondContact O-N 3.1Å; Q311-S314 PolarHBondContact O-OG 2.98Å; S314-R317 PolarHBondContact O-N 3.29Å; S314-A318 VanDerWaalsContact O-CB 3.28Å; S314-A318 WeakPolarHBondContact O-CB 3.25Å; S314-A318 PolarHBondContact O-N 3.03Å
315Y90.5Very high79.4Confident160 Ų160127 Ų12763%0.62762%0.624SS**Hα-helixtrans-64.7-41.3172.2-74.1-56.9000112.7Q311 I312 G319Q311-Y315 HydrophobicContact CG-CD2 3.95Å; Q311-Y315 HydrophobicContact CG-CE2 3.5Å; Q311-Y315 VanDerWaalsContact CG-CE2 3.5Å; Q311-Y315 WeakPolarHBondContact O-CD2 3.48Å; Q311-Y315 PolarHBondContact O-N 2.87Å; I312-Y315 PolarHBondContact O-N 2.82Å; Y315-G319 PolarHBondContact O-N 2.65Å
316L89.6Confident77.1Confident121 Ų121127.8 Ų127.863%0.63464%0.638SS**Hα-helixtrans-64.3-42.5174.7-85.2158.8000111.8I312 L313 G319I312-L316 HydrophobicContact CG2-CD1 3.75Å; I312-L316 WeakPolarHBondContact O-CB 3.44Å; I312-L316 WeakPolarHBondContact O-CG 3.48Å; I312-L316 PolarHBondContact O-N 3.3Å; L313-L316 HydrophobicContact CD2-CD1 4.41Å; L313-L316 PolarHBondContact O-N 3.4Å; L316-G319 WeakPolarHBondContact O-CA 3.2Å; L316-G319 PolarHBondContact O-N 3.08Å; L316-G319 VanDerWaalsContact O-N 3.13Å
317R85.9Confident74.7Confident233 Ų233133.1 Ų133.188%0.87966%0.658SS**Hα-helixtrans-68.9-39.9178.9-167.6179.1-146.51686.6112.1L313 S314 G319L313-R317 WeakPolarHBondContact O-CB 3.26Å; L313-R317 PolarHBondContact O-N 3.31Å; S314-R317 PolarHBondContact O-N 3.29Å; R317-G319 PolarHBondContact O-N 2.9Å
318A79.9Confident72.5Confident58 Ų58136.3 Ų136.348%0.47967%0.674SS.*Hα-helixtrans-64.3-28.4171.400000111.2S314S314-A318 VanDerWaalsContact O-CB 3.28Å; S314-A318 WeakPolarHBondContact O-CB 3.25Å; S314-A318 PolarHBondContact O-N 3.03Å
319G59.6Low70Confident34 Ų34140.6 Ų140.635%0.35169%0.693SS.*G310 helixtrans59.2171.1179.300000112.1Y315 L316 R317 R321Y315-G319 PolarHBondContact O-N 2.65Å; L316-G319 WeakPolarHBondContact O-CA 3.2Å; L316-G319 PolarHBondContact O-N 3.08Å; L316-G319 VanDerWaalsContact O-N 3.13Å; R317-G319 PolarHBondContact O-N 2.9Å; G319-R321 PolarHBondContact O-N 2.6Å
320K59.6Low67.3Low211 Ų211139.7 Ų139.792%0.91771%0.705SS**G310 helixtrans-61.114.8176.4-104.8171.3174174.50115.3H322K320-H322 PolarHBondContact O-N 2.81Å
321R59.3Low64.5Low223 Ų223147.6 Ų147.684%0.84273%0.726SS**G310 helixtrans-86.60.8-162.8-61.3-168.9103.1164.54.7116.1G319G319-R321 PolarHBondContact O-N 2.6Å
322H55.4Low62.2Low177 Ų177150 Ų15082%0.81975%0.746SS**G310 helixtrans-105.26177.4-76.6-73.3000116.5K320K320-H322 PolarHBondContact O-N 2.81Å
323A57.1Low59.7Low90 Ų90150.3 Ų150.374%0.74476%0.763SS**SBendtrans-92.50.1-176.500000116.3
324K53.1Low57.2Low205 Ų205151.3 Ų151.389%0.89177%0.769SS**SBendtrans-135.513.8-172.5-68.5-165.6176.4-1740117.4
325K48.4Very low54.9Low214 Ų214158.1 Ų158.193%0.9379%0.785SS**  trans-129.164.7171.6-85.2-171.6171.7-176.50111
326A46.6Very low52.5Low90 Ų90155 Ų15574%0.74479%0.786SS**SBendtrans-141.3131.5156.600000105.2
327K41.4Very low50.1Low209 Ų209157.9 Ų157.991%0.90980%0.796SS**SBendtrans90.563.1-167.6-53.6180175.9179.60116.1
328L46.4Very low47.9Very low173 Ų173155.6 Ų155.691%0.90679%0.793SS**SBend-174.1119128.6-143.163.2000108.6
329K41.6Very low45.8Very low220 Ų220160.3 Ų160.396%0.95781%0.81SS**SBendtrans79.6110.2173.3-144.4167.7-174.9175.50114.3
330G37.9Very low45Very low70 Ų70168.5 Ų168.572%0.72283%0.832SS**  cis175.3143.1-100000109.4
331R33.9Very low44.5Very low248 Ų248167.1 Ų167.194%0.93683%0.829SS**  trans79.563.8168.6-53.5-169.3-177.3-166.51.7119.6
332V45.4Very low43.6Very low150 Ų150162.1 Ų162.191%0.90982%0.819SS**  trans-155.9120.1142.2-176.50000106.7
333A39.6Very low42.7Very low98 Ų98159.7 Ų159.781%0.8181%0.812SS**  trans-75.6153.5179.100000110.5
334D41Very low42.1Very low130 Ų130165.8 Ų165.870%0.69582%0.816SS**  cis-160.7142.4-3.1-173.217.5000106.4
335R41.5Very low41.4Very low207 Ų207164.9 Ų164.978%0.78181%0.814SS**  trans37.6115.3155.7-80.8168.7163.1169.7-6.3122
336S38.9Very low41Very low93 Ų93160.7 Ų160.765%0.6580%0.801SS**  63131.788.673.30000113.3
337E39.5Very low41.1Very low183 Ų183163.3 Ų163.386%0.85581%0.808SS**  -177.7158.150.2-163.2156.2-166.500108.4
338F39.7Very low41.1Very low184 Ų184160.9 Ų160.981%0.80780%0.799SS**  trans-66.8135.7174.4-94.8-111.4000111.3
339D36.6Very low41.1Very low158 Ų158161.7 Ų161.785%0.84580%0.796SS**  trans-153.8141.8134.7-130.3-12.4000110.5E341D339-E341 PolarHBondContact O-N 2.97Å
340Y41.7Very low41.2Very low205 Ų205159.6 Ų159.680%0.80479%0.793SS**  trans-74.1116173.8-89.6-97.4000108.1
341E49Very low41.8Very low182 Ų182160.2 Ų160.285%0.8579%0.791SS**  trans-142151.2157.9-88.2-54.7158.400112.4D339D339-E341 PolarHBondContact O-N 2.97Å
342D40.2Very low42.6Very low118 Ų118156.1 Ų156.163%0.63179%0.788SS**  trans-62.6165-163.7-167.614.8000115.4
343N37.8Very low43.1Very low127 Ų127155.1 Ų155.168%0.67978%0.782SS**SBendtrans-47.5158.4-176.1-67.2-83.1000116.1
344R44.2Very low44Very low218 Ų218154.1 Ų154.182%0.82377%0.774SS**  trans89.787.9159-49.6173.2-131.1-156.5-0.1114.2
345H38.3Very low45Very low185 Ų185155.2 Ų155.286%0.85678%0.778SS**  trans173.799.4140.7-100.4-79.1000108.7
346L39.3Very low46.3Very low126 Ų126152.9 Ų152.966%0.6677%0.774SS**  178.286.2128.5-123.262.1000111H348 K349L346-H348 PolarHBondContact O-N 2.84Å; L346-K349 HydrophobicContact CD2-CD 4.38Å
347V48.6Very low47.5Very low145 Ų145156.9 Ų156.988%0.87978%0.783SS**SBendtrans-74.916.9158.2167.40000110.9
348H43.1Very low48.7Very low158 Ų158151.7 Ų151.773%0.73178%0.778SS**  trans-134.778.7-176.5-87.718.1000111.5L346L346-H348 PolarHBondContact O-N 2.84Å
349K44.5Very low49.6Very low191 Ų191149.6 Ų149.683%0.8377%0.774SS**  trans-157.448.1158-114.6175.6-171.8-1780111.3L346L346-K349 HydrophobicContact CD2-CD 4.38Å
350I45.7Very low50.4Low176 Ų176144.9 Ų144.990%0.90376%0.763SS**  trans-111.390.1161.3-60.1170.9000104.6
351A49.4Very low51.2Low82 Ų82142.4 Ų142.468%0.67876%0.763SS**SBendtrans-161.3-23.5171.200000116.5
352N50.9Low51.8Low162 Ų162141.7 Ų141.787%0.86677%0.765SS**  trans-149.957.2-170.5-67.7-57.6000114.8
353T55.1Low52.8Low130 Ų130145.8 Ų145.880%0.79877%0.773SS**  trans-109.4114.1163.552.50000108.5I355T353-I355 PolarHBondContact O-N 3.03Å
354A59.6Low53.9Low76 Ų76147.4 Ų147.463%0.62878%0.781SS**  trans-63.4127.6176.900000109.7F356 E357A354-F356 PolarHBondContact O-N 2.89Å; A354-E357 PolarHBondContact O-N 3.15Å
355I60.9Low54.6Low153 Ų153141.3 Ų141.379%0.78577%0.77SS**THydrogen-bonded Turntrans-63.5-14.1-172-55167.3000112.3T353T353-I355 PolarHBondContact O-N 3.03Å
356F69.5Low55.1Low158 Ų158139.4 Ų139.469%0.69377%0.772SS**THydrogen-bonded Turntrans-107.96.5-170.4-63.7-79.2000115.4A354 G358 I359A354-F356 PolarHBondContact O-N 2.89Å; F356-G358 PolarHBondContact O-N 3Å; F356-G358 VanDerWaalsContact O-N 3.08Å; F356-I359 PolarHBondContact O-N 3.18Å
357E63.7Low55.6Low178 Ų178139.3 Ų139.383%0.83278%0.777SS**THydrogen-bonded Turntrans-69.4-6.2-179.5-159167.1-17400113.5A354A354-E357 PolarHBondContact O-N 3.15Å
358G65.5Low55.4Low74 Ų74142.5 Ų142.576%0.76378%0.778SS**THydrogen-bonded Turntrans-98.42.5174.300000116F356F356-G358 PolarHBondContact O-N 3Å; F356-G358 VanDerWaalsContact O-N 3.08Å
359I57.7Low55.6Low139 Ų139144.7 Ų144.771%0.71379%0.786SS**  trans-118.697.2178.3-70100.5000109.3F356F356-I359 PolarHBondContact O-N 3.18Å
360G53.8Low55.5Low60 Ų60144.5 Ų144.562%0.61979%0.788SS**  trans172.499.9173.200000112.3
361N59.1Low55.5Low152 Ų152139.6 Ų139.681%0.81378%0.781SS**SBendtrans160.51.7137.1-76.1-13000114.4Y363N361-Y363 PolarHBondContact O-N 2.84Å
362D61.8Low55.1Low167 Ų167145.3 Ų145.389%0.89379%0.79SS**  trans-9316.9-171-60-19000115.4
363Y61.1Low55Low204 Ų204143.1 Ų143.180%0.879%0.787SS**  trans-127.9101.4176.6-147.1-97.1000112.3N361 P365N361-Y363 PolarHBondContact O-N 2.84Å; Y363-P365 HydrophobicContact CD1-CG 4.18Å; Y363-P365 HydrophobicContact CE1-CG 4.17Å
364L61Low54.4Low161 Ų161144.7 Ų144.784%0.84379%0.791SS**  trans-118.3108.6168.6-74.3173.2000109.3T366L364-T366 PolarHBondContact O-N 2.86Å
365P58.4Low53.8Low91 Ų91149 Ų14959%0.59180%0.804SS**  trans-72.5124.1176.2-11.726.3000111.1Y363 T367Y363-P365 HydrophobicContact CD1-CG 4.18Å; Y363-P365 HydrophobicContact CE1-CG 4.17Å; P365-T367 PolarHBondContact O-N 3.21Å; P365-T367 VanDerWaalsContact O-N 3.1Å
366T47.9Very low53.1Low145 Ų145152.1 Ų152.189%0.8981%0.806SS**  trans-69.5102.6173.756.10000110.4L364L364-T366 PolarHBondContact O-N 2.86Å
367T50.5Low52.2Low124 Ų124151.1 Ų151.176%0.76181%0.812SS**  trans-109.2118.7167.254.60000110.1P365 K369P365-T367 PolarHBondContact O-N 3.21Å; P365-T367 VanDerWaalsContact O-N 3.1Å; T367-K369 PolarHBondContact O-N 2.83Å
368K44Very low51.4Low211 Ų211149.6 Ų149.692%0.91781%0.81SS**  trans-66.4119.6175.9-68.9175.7178.7173.30109.5
369K48Very low50.8Low205 Ų205154.1 Ų154.189%0.89182%0.816SS**  trans-103.6109.7161.4-87.7-173.1176.6178.60110.1T367T367-K369 PolarHBondContact O-N 2.83Å
370Q42.9Very low50.1Low186 Ų186152.9 Ų152.987%0.86982%0.817SS**  trans-66.9125.1160.9-77.3-86.5-23.300109.1
371G44.6Very low49.8Very low73 Ų73160.8 Ų160.875%0.75383%0.829SS**  trans-134.5102.3171.500000109.3
372K42.2Very low49.3Very low203 Ų203160.3 Ų160.388%0.88383%0.827SS**  trans-68.6130.1171.9-84168.41661710110.2
373S48.5Very low48.3Very low115 Ų115159.2 Ų159.280%0.80482%0.821SS**  trans-152.4112.914459.20000109.5
374N42Very low47.6Very low164 Ų164154.1 Ų154.188%0.87782%0.815SS**  trans-65.6131.3167.1-65.5-39.3000109
375D47.6Very low46.7Very low166 Ų166151.1 Ų151.189%0.88881%0.808SS**  trans-144.5135.4142.6-142.7-9.5000110.7
376R45.5Very low46.1Very low219 Ų219153.1 Ų153.183%0.82682%0.818SS**  trans-90.2143-173.7-80.5171.3154.4142.2-7.9109.5
377T49.7Very low46Very low136 Ų136150.8 Ų150.883%0.83481%0.808SS**  trans173.696.1145.124.80000106.7
378D47.8Very low45.5Very low147 Ų147152.1 Ų152.179%0.78681%0.81SS**  65.5112.784-81.7-16.3000115.7
379L52Low45.5Very low168 Ų168146.8 Ų146.888%0.8880%0.799SS**  trans96.5121.5149.6-58.2172.2000121
380P44.1Very low45.5Very low113 Ų113147.7 Ų147.773%0.73480%0.797SS**  trans-108.9145.1164.636.7-25.4000112.7
381Y47.1Very low45.8Very low226 Ų226145.5 Ų145.589%0.88679%0.792SS**  trans174.1126.5148.6-121.3-95.1000109.2
382D48.5Very low45.9Very low143 Ų143152.8 Ų152.877%0.76580%0.796SS**  -171.9125.6124-160.310.6000110.4
383D42.1Very low46.4Very low144 Ų144150.8 Ų150.877%0.7780%0.795SS**  trans-112.4117.3170.5169.226.4000105.8
384S44.5Very low46.5Very low96 Ų96150.7 Ų150.767%0.67179%0.791SS**  trans-145.3111.2163.452.90000111.8
385S43.7Very low46.4Very low99 Ų99147.6 Ų147.669%0.69279%0.788SS**  trans-33150.4153.857.70000114.8
386V45.1Very low46.3Very low133 Ų133145.5 Ų145.581%0.80679%0.786SS**  177128.6119156.80000110.1
387S44.7Very low46.2Very low96 Ų96142.2 Ų142.267%0.67179%0.785SS**  trans-66.2140.2171.234.60000113.3
388N41.9Very low46.1Very low152 Ų152142.7 Ų142.781%0.81379%0.788SS**  170.3124.9120.3-106.8-33.7000113.8
389S43.6Very low45.8Very low98 Ų98141.5 Ų141.569%0.68579%0.786SS**  43.6123.1125.4-167.40000120.1
390R47.6Very low45.5Very low224 Ų224140.2 Ų140.285%0.84579%0.786SS**  -171.2123.5129.8-99.5157.5-160.4-179.97.5113.9
391N48.3Very low45.3Very low141 Ų141140 Ų14075%0.75479%0.794SS**  trans72.1108.6138.7-54.7-17.4000118.4
392R47.2Very low45Very low225 Ų225133.2 Ų133.285%0.84979%0.792SS**  cis77.3111.749.6-153.5-169-128.6-144.24.6113.3
393L52.1Low44.6Very low162 Ų162132.3 Ų132.385%0.84880%0.797SS**  169.9156.6118.2-84.7154.6000114.2
394P51.3Low44.7Very low113 Ų113132.8 Ų132.873%0.73480%0.8SS**  trans-134.3-175.4-155.942.1-22.4000117.9
395A40.1Very low44.7Very low98 Ų98134.1 Ų134.181%0.8181%0.809SS**  trans81.8131.3145.900000123.2
396S45.7Very low44.6Very low122 Ų122136.6 Ų136.685%0.85381%0.814SS**  trans-171.8129.9145.7176.30000113.1
397N42.5Very low44.7Very low151 Ų151136.5 Ų136.581%0.80781%0.814SS**  trans-76.3161.2-175.3-65.5-35.6000115.6
398T47.6Very low44.6Very low145 Ų145139.2 Ų139.289%0.8982%0.821SS**  -161.9138.1128.9-23.20000113.2
399T42.5Very low44.5Very low122 Ų122136.5 Ų136.575%0.74882%0.82SS**  trans-114151.5-177.739.90000111.4
400T44.7Very low44.6Very low142 Ų142140.9 Ų140.987%0.87183%0.829SS**  trans172.6115.3149.944.60000107.8
401A39.5Very low44.4Very low109 Ų109134.6 Ų134.690%0.90182%0.818SS**  82.7121.651.600000115.7
402G42.1Very low44.3Very low82 Ų82135.5 Ų135.585%0.84582%0.823SS**  trans117.9134.116600000113.9
403S40.6Very low43.9Very low124 Ų124130.4 Ų130.487%0.86782%0.821SS**  cis-165.3156.99.8-162.60000110.5
404N44.2Very low43.8Very low155 Ų155129.2 Ų129.283%0.82982%0.821SS**  trans-76.6160.6-173.3-64.9-42.2000115.4
405S44Very low43.9Very low123 Ų123133.1 Ų133.186%0.8683%0.829SS**  -177.1135.4111.354.40000114
406N41.6Very low44.3Very low151 Ų151133.2 Ų133.281%0.80783%0.83SS**  trans-73.9160.8176.8-76.3-31.2000113
407T46.6Very low44.9Very low131 Ų131130.8 Ų130.880%0.80481%0.813SS**  179.3112.9109.441.70000113.2
408N43.5Very low45.9Very low154 Ų154133.4 Ų133.482%0.82481%0.813SS**  trans29.9124.2132.7-55.7-23.8000122.6
409A39.8Very low46.6Very low95 Ų95134.5 Ų134.579%0.78581%0.806SS**  172.1101.3128.400000109.7
410E44.2Very low47.6Very low189 Ų189135.2 Ų135.288%0.88381%0.805SS**  79.1141.4111.2-90.7-88.1128.200116.3
411P45.2Very low48.5Very low93 Ų93135.4 Ų135.460%0.60480%0.799SS**  trans-102.8137.8-143.637.2-30.7000113.7
412N44.7Very low49.8Very low160 Ų160135.2 Ų135.286%0.85679%0.789SS**  trans-157.4116.2161.7-93.5-37.8000111.9
413S39.2Very low50.5Low117 Ų117136.2 Ų136.282%0.81879%0.789SS**  trans21.8101.3146.5172.10000118
414T51.1Low51.1Low138 Ų138138 Ų13885%0.84779%0.789SS**  trans-138.6126.8152.552.60000110.2
415Q52.6Low51.4Low194 Ų194133.1 Ų133.191%0.90777%0.77SS**  trans-45.3142.6178.1-72170.2-30.900113.2S417Q415-S417 PolarHBondContact O-N 2.85Å
416A49Very low51.8Low100 Ų100134.1 Ų134.183%0.82677%0.766SS**  trans-55.4131168.700000110.7Y418A416-Y418 PolarHBondContact O-N 2.96Å
417S56.7Low52.5Low71 Ų71131.5 Ų131.550%0.49776%0.76SS.*  trans-62.8125.3168.1177.90000108.8Q415 F419 D420Q415-S417 PolarHBondContact O-N 2.85Å; S417-F419 PolarHBondContact O-N 3.21Å; S417-D420 PolarHBondContact O-N 2.8Å
418Y64.1Low52.9Low207 Ų207130.4 Ų130.481%0.81275%0.752SS**THydrogen-bonded Turntrans-57.9-7.2177.3-179.3-103000113.9A416A416-Y418 PolarHBondContact O-N 2.96Å
419F63.4Low53.4Low168 Ų168126.4 Ų126.474%0.73773%0.734SS**THydrogen-bonded Turntrans-105.4-3.4-173.1-71.1-77.8000115.9S417 I421S417-F419 PolarHBondContact O-N 3.21Å; F419-I421 PolarHBondContact O-N 3.42Å
420D63.8Low54.1Low136 Ų136127.2 Ų127.273%0.72773%0.725SS**  trans-99.689.9-179.4-69.5-36.9000111.5S417S417-D420 PolarHBondContact O-N 2.8Å
421I63.4Low54.7Low146 Ų146124.5 Ų124.575%0.74972%0.716SS**  trans-87.4119.1172-56.9171.9000108.6F419F419-I421 PolarHBondContact O-N 3.42Å
422P66.7Low55.7Low106 Ų106123.1 Ų123.169%0.68871%0.709SS**  trans-66.9134.6178.125.6-32.1000111.6N424P422-N424 PolarHBondContact O-N 2.71Å
423A56.5Low56.7Low103 Ų103119.3 Ų119.385%0.85169%0.688SS**SBendtrans-68.835.9-169.400000116.7
424N52Low58.4Low161 Ų161116.9 Ų116.986%0.86167%0.67SS**  trans-137.825.3-175.4-104.1-28.6000114.4P422P422-N424 PolarHBondContact O-N 2.71Å
425A50.4Low59.6Low52 Ų52113 Ų11343%0.4365%0.653SS.*  trans-1005.1-174.600000115.7S427A425-S427 PolarHBondContact O-N 3.07Å; A425-S427 VanDerWaalsContact O-N 3.09Å
426D53.1Low60.6Low145 Ų145107.4 Ų107.478%0.77563%0.632SS**THydrogen-bonded Turntrans-74.61.2-169.4-69.1-22.2000115.6
427S56Low62.1Low96 Ų96109.3 Ų109.367%0.67162%0.621SS**THydrogen-bonded Turntrans-103.8-5-179770000115.4A425A425-S427 PolarHBondContact O-N 3.07Å; A425-S427 VanDerWaalsContact O-N 3.09Å
428V55.5Low63.2Low107 Ų107112.4 Ų112.465%0.64863%0.628SS**THydrogen-bonded Turntrans-104.4-18.9-173.6-170.80000112.7
429T54.9Low64.1Low71 Ų71108.6 Ų108.644%0.43662%0.616SS.*Hα-helixtrans-75.2-25.2-174.552.20000114.1N431 S432 I433T429-N431 PolarHBondContact O-N 2.99Å; T429-S432 PolarHBondContact O-N 2.89Å; T429-S432 PolarHBondContact O-OG 2.79Å; T429-S432 VanDerWaalsContact O-OG 3.05Å; T429-I433 WeakPolarHBondContact O-CD1 3.48Å; T429-I433 VanDerWaalsContact O-CG1 3.28Å; T429-I433 WeakPolarHBondContact O-CG1 3.45Å; T429-I433 PolarHBondContact O-N 3.49Å
430N53.3Low64.8Low112 Ų112105.9 Ų105.960%0.59961%0.608SS**Hα-helixtrans-72.9-29-178.7-68.9-39.4000113.2
431N57.7Low65.5Low131 Ų131104.6 Ų104.670%0.70160%0.602SS**Hα-helixtrans-80.7-30.3177.4-69.6-11.4000112.2T429 A435T429-N431 PolarHBondContact O-N 2.99Å; N431-A435 PolarHBondContact O-N 2.63Å
432S65.2Low66.3Low64 Ų64101.6 Ų101.645%0.44858%0.584SS.*Hα-helixtrans-72.1-32.9176.968.90000112.3T429 A435 T436T429-S432 PolarHBondContact O-N 2.89Å; T429-S432 PolarHBondContact O-OG 2.79Å; T429-S432 VanDerWaalsContact O-OG 3.05Å; S432-A435 PolarHBondContact O-N 3.06Å; S432-T436 VanDerWaalsContact O-CG2 3.3Å; S432-T436 WeakPolarHBondContact O-CG2 3.4Å; S432-T436 PolarHBondContact O-N 3.47Å; S432-T436 PolarHBondContact O-OG1 3.38Å
433I67Low66.7Low81 Ų8199.3 Ų99.342%0.41557%0.566SS.*Hα-helixtrans-70.1-33.9178.7-64.6163.6000111.5T429 T436 K437T429-I433 WeakPolarHBondContact O-CD1 3.48Å; T429-I433 VanDerWaalsContact O-CG1 3.28Å; T429-I433 WeakPolarHBondContact O-CG1 3.45Å; T429-I433 PolarHBondContact O-N 3.49Å; I433-T436 WeakPolarHBondContact CA-OG1 3.43Å; I433-T436 PolarHBondContact O-OG1 3.46Å; I433-T436 VanDerWaalsContact O-OG1 3.07Å; I433-K437 HydrophobicContact CG2-CD 4.37Å; I433-K437 WeakPolarHBondContact O-CB 3.42Å; I433-K437 VanDerWaalsContact O-CG 3.29Å; I433-K437 WeakPolarHBondContact O-CG 3.47Å; I433-K437 PolarHBondContact O-N 3.38Å; I433-K437 VanDerWaalsContact O-N 3.09Å
434S74.9Confident67.5Low65 Ų6598 Ų9846%0.45555%0.551SS.*Hα-helixtrans-70.5-43.3175.4-158.80000111.4T436 K437 E438S434-T436 PolarHBondContact O-N 2.93Å; S434-K437 PolarHBondContact O-N 3.06Å; S434-E438 PolarHBondContact O-N 3.29Å
435A74.9Confident68.5Low58 Ų5897.8 Ų97.848%0.47955%0.545SS..Hα-helixtrans-65-36.6177.200000112.6N431 S432 F439N431-A435 PolarHBondContact O-N 2.63Å; S432-A435 PolarHBondContact O-N 3.06Å; A435-F439 WeakPolarHBondContact O-CB 3.27Å; A435-F439 PolarHBondContact O-N 3.38Å
436T75Confident69.6Low76 Ų76103.9 Ų103.947%0.46656%0.557SS.*Hα-helixtrans-72-33.6175.253.40000112.6S432 I433 S434 L440S432-T436 VanDerWaalsContact O-CG2 3.3Å; S432-T436 WeakPolarHBondContact O-CG2 3.4Å; S432-T436 PolarHBondContact O-N 3.47Å; S432-T436 PolarHBondContact O-OG1 3.38Å; I433-T436 WeakPolarHBondContact CA-OG1 3.43Å; I433-T436 PolarHBondContact O-OG1 3.46Å; I433-T436 VanDerWaalsContact O-OG1 3.07Å; S434-T436 PolarHBondContact O-N 2.93Å; T436-L440 WeakPolarHBondContact O-CB 3.42Å; T436-L440 PolarHBondContact O-N 3.4Å
437K79.6Confident70Confident139 Ų139103.5 Ų103.560%0.60455%0.548SS*.Hα-helixtrans-67-42173.4-79.3178.8179.7-177.30112.5I433 S434 L440 N441I433-K437 HydrophobicContact CG2-CD 4.37Å; I433-K437 WeakPolarHBondContact O-CB 3.42Å; I433-K437 VanDerWaalsContact O-CG 3.29Å; I433-K437 WeakPolarHBondContact O-CG 3.47Å; I433-K437 PolarHBondContact O-N 3.38Å; I433-K437 VanDerWaalsContact O-N 3.09Å; S434-K437 PolarHBondContact O-N 3.06Å; K437-L440 PolarHBondContact O-N 2.93Å; K437-N441 PolarHBondContact O-N 3.01Å
438E79.1Confident69.7Low137 Ų137105.9 Ų105.964%0.6455%0.554SS**Hα-helixtrans-65.8-42175.4-74-177.3177.100111.5S434 L440 N441 E442S434-E438 PolarHBondContact O-N 3.29Å; E438-L440 PolarHBondContact O-N 2.93Å; E438-N441 PolarHBondContact O-N 2.9Å; E438-E442 WeakPolarHBondContact O-CB 3.24Å; E438-E442 PolarHBondContact O-N 3.48Å
439F83.5Confident69.5Low126 Ų126103.8 Ų103.855%0.55354%0.541SS*.Hα-helixtrans-64.5-38.9175.1-176-109.1000113A435 E442 L443A435-F439 WeakPolarHBondContact O-CB 3.27Å; A435-F439 PolarHBondContact O-N 3.38Å; F439-E442 PolarHBondContact O-N 2.8Å; F439-L443 HydrophobicContact CD1-CD1 3.74Å; F439-L443 HydrophobicContact CD1-CG 4.4Å; F439-L443 HydrophobicContact CE1-CD1 3.33Å; F439-L443 HydrophobicContact CE1-CG 4.08Å; F439-L443 HydrophobicContact CE2-CG 4.47Å; F439-L443 HydrophobicContact CZ-CD1 3.79Å; F439-L443 HydrophobicContact CZ-CD2 4.4Å; F439-L443 HydrophobicContact CZ-CG 4.11Å; F439-L443 WeakPolarHBondContact O-CB 3.37Å; F439-L443 WeakPolarHBondContact O-CG 3.32Å; F439-L443 PolarHBondContact O-N 3.1Å
440L78.2Confident69.5Low111 Ų111108.7 Ų108.758%0.58156%0.556SS**Hα-helixtrans-66.7-39174.5-91.8158.6000112.4T436 K437 E438 L443 S444T436-L440 WeakPolarHBondContact O-CB 3.42Å; T436-L440 PolarHBondContact O-N 3.4Å; K437-L440 PolarHBondContact O-N 2.93Å; E438-L440 PolarHBondContact O-N 2.93Å; L440-L443 PolarHBondContact O-N 2.84Å; L440-S444 WeakPolarHBondContact O-CB 3.42Å; L440-S444 PolarHBondContact O-N 3.45Å
441N79Confident69.5Low109 Ų109110.5 Ų110.558%0.58356%0.561SS**Hα-helixtrans-67.1-39.5173.3-94.8-10.4000111.9K437 E438 S444 Q445K437-N441 PolarHBondContact O-N 3.01Å; E438-N441 PolarHBondContact O-N 2.9Å; N441-S444 PolarHBondContact O-N 3.4Å; N441-Q445 WeakPolarHBondContact O-CG 3.36Å; N441-Q445 PolarHBondContact O-N 2.96Å
442E80.6Confident69.5Low83 Ų83111.4 Ų111.439%0.38856%0.561SS.*Hα-helixtrans-66.5-39.5175.8-173176.7-177.400111.8E438 F439 Q445 R446E438-E442 WeakPolarHBondContact O-CB 3.24Å; E438-E442 PolarHBondContact O-N 3.48Å; F439-E442 PolarHBondContact O-N 2.8Å; E442-Q445 PolarHBondContact O-N 2.85Å; E442-R446 WeakPolarHBondContact O-CB 3.25Å; E442-R446 VanDerWaalsContact O-CG 3.27Å; E442-R446 WeakPolarHBondContact O-CG 2.81Å; E442-R446 PolarHBondContact O-N 2.97Å; E442-R446 IonicContact OE1-CZ 3.88Å; E442-R446 IonicContact OE1-NE 2.98Å; E442-R446 PolarHBondContact OE1-NE 3.15Å; E442-R446 IonicContact OE1-NH2 2.79Å; E442-R446 PolarHBondContact OE1-NH2 3.12Å
443L75.5Confident69.2Low58 Ų58112.4 Ų112.430%0.30456%0.561SS.*Hα-helixtrans-63.7-41170.3-79.1173.2000111.6F439 L440 Q445 R446 F447F439-L443 HydrophobicContact CD1-CD1 3.74Å; F439-L443 HydrophobicContact CD1-CG 4.4Å; F439-L443 HydrophobicContact CE1-CD1 3.33Å; F439-L443 HydrophobicContact CE1-CG 4.08Å; F439-L443 HydrophobicContact CE2-CG 4.47Å; F439-L443 HydrophobicContact CZ-CD1 3.79Å; F439-L443 HydrophobicContact CZ-CD2 4.4Å; F439-L443 HydrophobicContact CZ-CG 4.11Å; F439-L443 WeakPolarHBondContact O-CB 3.37Å; F439-L443 WeakPolarHBondContact O-CG 3.32Å; F439-L443 PolarHBondContact O-N 3.1Å; L440-L443 PolarHBondContact O-N 2.84Å; L443-Q445 VanDerWaalsContact C-N 3.29Å; L443-Q445 PolarHBondContact O-N 3.36Å; L443-R446 PolarHBondContact O-N 2.68Å; L443-F447 HydrophobicContact CD2-CD2 3.79Å; L443-F447 HydrophobicContact CD2-CE2 3.54Å; L443-F447 WeakPolarHBondContact O-CB 3.46Å; L443-F447 WeakPolarHBondContact O-CD2 3.32Å; L443-F447 PolarHBondContact O-N 3.42Å
444S72Confident68.9Low76 Ų76116.7 Ų116.753%0.53157%0.572SS.*Hα-helixtrans-65.1-31.4177.3-167.10000112.7L440 N441L440-S444 WeakPolarHBondContact O-CB 3.42Å; L440-S444 PolarHBondContact O-N 3.45Å; N441-S444 PolarHBondContact O-N 3.4Å
445Q72.6Confident68.4Low156 Ų156119.6 Ų119.673%0.72958%0.582SS**Hα-helixtrans-82.4-33.2175.9-74.4177.910.800113N441 E442 L443N441-Q445 WeakPolarHBondContact O-CG 3.36Å; N441-Q445 PolarHBondContact O-N 2.96Å; E442-Q445 PolarHBondContact O-N 2.85Å; L443-Q445 VanDerWaalsContact C-N 3.29Å; L443-Q445 PolarHBondContact O-N 3.36Å
446R74.4Confident68.2Low181 Ų181123.3 Ų123.368%0.68359%0.589SS**Hα-helixtrans-78.3-29.2178.8-72.5177.1-175.6-120.28.7112.9E442 L443E442-R446 WeakPolarHBondContact O-CB 3.25Å; E442-R446 VanDerWaalsContact O-CG 3.27Å; E442-R446 WeakPolarHBondContact O-CG 2.81Å; E442-R446 PolarHBondContact O-N 2.97Å; E442-R446 IonicContact OE1-CZ 3.88Å; E442-R446 IonicContact OE1-NE 2.98Å; E442-R446 PolarHBondContact OE1-NE 3.15Å; E442-R446 IonicContact OE1-NH2 2.79Å; E442-R446 PolarHBondContact OE1-NH2 3.12Å; L443-R446 PolarHBondContact O-N 2.68Å
447F61.2Low67.8Low136 Ų136125.8 Ų125.860%0.59660%0.596SS**THydrogen-bonded Turntrans-112.646.6179.6-64.8-81.3000111.4L443 V449L443-F447 HydrophobicContact CD2-CD2 3.79Å; L443-F447 HydrophobicContact CD2-CE2 3.54Å; L443-F447 WeakPolarHBondContact O-CB 3.46Å; L443-F447 WeakPolarHBondContact O-CD2 3.32Å; L443-F447 PolarHBondContact O-N 3.42Å; F447-V449 HydrophobicContact CB-CG2 4.15Å; F447-V449 WeakPolarHBondContact O-CB 3.15Å; F447-V449 VanDerWaalsContact O-CG2 3.25Å; F447-V449 WeakPolarHBondContact O-CG2 3.37Å; F447-V449 PolarHBondContact O-N 3.2Å
448D49.5Very low67.4Low147 Ų147126 Ų12679%0.78660%0.597SS**  trans-65.779.4168.7-131.1-9000108.7K450D448-K450 PolarHBondContact O-N 2.82Å
449V51.6Low67.2Low63 Ų63122.1 Ų122.138%0.38259%0.588SS.*  trans-85.5110.7-169.8162.60000106.4F447 E451 N453F447-V449 HydrophobicContact CB-CG2 4.15Å; F447-V449 WeakPolarHBondContact O-CB 3.15Å; F447-V449 VanDerWaalsContact O-CG2 3.25Å; F447-V449 WeakPolarHBondContact O-CG2 3.37Å; F447-V449 PolarHBondContact O-N 3.2Å; V449-E451 PolarHBondContact O-N 3.29Å; V449-N453 HydrophobicContact CG1-CB 3.23Å; V449-N453 WeakPolarHBondContact CG1-ND2 3.08Å
450K53.9Low66.7Low173 Ų173119.8 Ų119.875%0.75259%0.588SS**  trans-28.4128.6171.1-66.1176.6177.1179.40111.4D448 E452 N453D448-K450 PolarHBondContact O-N 2.82Å; K450-E452 PolarHBondContact O-N 3.24Å; K450-N453 PolarHBondContact O-N 2.9Å
451E55.1Low66.3Low151 Ų151118.8 Ų118.871%0.70658%0.582SS**Hα-helixtrans-45.4-24.9-174.1-75.8-126.8133.800115.7V449 N453 R454V449-E451 PolarHBondContact O-N 3.29Å; E451-N453 VanDerWaalsContact C-N 3.34Å; E451-N453 PolarHBondContact O-N 3.42Å; E451-R454 PolarHBondContact O-N 2.79Å
452E56Low66Low149 Ų149120 Ų12070%0.69658%0.584SS**Hα-helixtrans-60.1-35.7175.3-77-176.9137.900114.2K450 L455 Q456K450-E452 PolarHBondContact O-N 3.24Å; E452-L455 PolarHBondContact O-N 3.22Å; E452-Q456 PolarHBondContact O-N 2.83Å
453N58.5Low65.5Low85 Ų85125 Ų12546%0.45560%0.6SS.*Hα-helixtrans-75.8-30.8-178.9-82.5-6.8000112.3V449 K450 E451 L455 Q456 E457V449-N453 HydrophobicContact CG1-CB 3.23Å; V449-N453 WeakPolarHBondContact CG1-ND2 3.08Å; K450-N453 PolarHBondContact O-N 2.9Å; E451-N453 VanDerWaalsContact C-N 3.34Å; E451-N453 PolarHBondContact O-N 3.42Å; N453-L455 PolarHBondContact O-N 2.99Å; N453-Q456 PolarHBondContact O-N 3.44Å; N453-E457 WeakPolarHBondContact O-CB 3.27Å; N453-E457 PolarHBondContact O-N 2.89Å
454R60.8Low65.3Low171 Ų171128.6 Ų128.665%0.64561%0.613SS**Hα-helixtrans-64.2-31.7174.3-77.9-179.578.7-173.87.3111.8E451 K458E451-R454 PolarHBondContact O-N 2.79Å; R454-K458 WeakPolarHBondContact O-CB 3.39Å; R454-K458 PolarHBondContact O-N 2.91Å
455L65.1Low65.2Low126 Ų126131 Ų13166%0.6661%0.614SS**Hα-helixtrans-72-40.8176.7-68.3169.4000111.7E452 N453 A459E452-L455 PolarHBondContact O-N 3.22Å; N453-L455 PolarHBondContact O-N 2.99Å; L455-A459 VanDerWaalsContact O-CB 3.27Å; L455-A459 WeakPolarHBondContact O-CB 3.28Å; L455-A459 PolarHBondContact O-N 3.3Å
456Q69.9Low65Low136 Ų136126.6 Ų126.664%0.63660%0.604SS**Hα-helixtrans-69.4-39.5175.5-75.3-176.2-1.600112.8E452 N453 A459 S460E452-Q456 PolarHBondContact O-N 2.83Å; N453-Q456 PolarHBondContact O-N 3.44Å; Q456-A459 PolarHBondContact O-N 2.81Å; Q456-S460 WeakPolarHBondContact O-CB 3.39Å; Q456-S460 PolarHBondContact O-N 3.36Å; Q456-S460 PolarHBondContact O-OG 3.41Å
457E67Low64.5Low129 Ų129125 Ų12560%0.60360%0.603SS**Hα-helixtrans-71.7-38.1179.1-157.7172.6-152.500111.2N453 S460 L461N453-E457 WeakPolarHBondContact O-CB 3.27Å; N453-E457 PolarHBondContact O-N 2.89Å; E457-S460 PolarHBondContact O-N 3.48Å; E457-L461 WeakPolarHBondContact O-CB 3.35Å; E457-L461 WeakPolarHBondContact O-CG 3.33Å; E457-L461 PolarHBondContact O-N 2.72Å
458K72.6Confident64.6Low143 Ų143122.2 Ų122.262%0.62260%0.597SS**Hα-helixtrans-66.2-41.7172.3-168.7179.3-179.2-174.10112.1R454 S460 L461 E462R454-K458 WeakPolarHBondContact O-CB 3.39Å; R454-K458 PolarHBondContact O-N 2.91Å; K458-S460 VanDerWaalsContact C-N 3.33Å; K458-L461 PolarHBondContact O-N 2.97Å; K458-E462 VanDerWaalsContact O-CB 3.24Å; K458-E462 WeakPolarHBondContact O-CB 3.45Å; K458-E462 PolarHBondContact O-N 3.05Å
459A73.2Confident65.1Low56 Ų56122.1 Ų122.146%0.46359%0.591SS.*Hα-helixtrans-65.2-36.9174.400000112.2L455 Q456 R463L455-A459 VanDerWaalsContact O-CB 3.27Å; L455-A459 WeakPolarHBondContact O-CB 3.28Å; L455-A459 PolarHBondContact O-N 3.3Å; Q456-A459 PolarHBondContact O-N 2.81Å; A459-R463 WeakPolarHBondContact O-CB 3.33Å; A459-R463 PolarHBondContact O-N 3.21Å
460S73.7Confident65.6Low77 Ų77123.9 Ų123.954%0.53860%0.602SS.*Hα-helixtrans-69.2-41.4175.9-61.70000112Q456 E457 K458 R463 F464Q456-S460 WeakPolarHBondContact O-CB 3.39Å; Q456-S460 PolarHBondContact O-N 3.36Å; Q456-S460 PolarHBondContact O-OG 3.41Å; E457-S460 PolarHBondContact O-N 3.48Å; K458-S460 VanDerWaalsContact C-N 3.33Å; S460-R463 PolarHBondContact O-N 3.08Å; S460-F464 WeakPolarHBondContact O-CB 3.42Å; S460-F464 PolarHBondContact O-N 2.96Å
461L70.2Confident65.8Low90 Ų90119 Ų11947%0.47159%0.587SS.*Hα-helixtrans-65.6-41.9173.6-81.4164.5000111.7E457 K458 R463 F464 F465E457-L461 WeakPolarHBondContact O-CB 3.35Å; E457-L461 WeakPolarHBondContact O-CG 3.33Å; E457-L461 PolarHBondContact O-N 2.72Å; K458-L461 PolarHBondContact O-N 2.97Å; L461-R463 VanDerWaalsContact C-N 3.31Å; L461-R463 PolarHBondContact O-N 3.11Å; L461-F464 CarbonylContact O-C 3.45Å; L461-F464 WeakPolarHBondContact O-CB 3.27Å; L461-F464 PolarHBondContact O-N 3.41Å; L461-F464 VanDerWaalsContact O-N 3.1Å; L461-F465 HydrophobicContact CB-CD2 4.47Å; L461-F465 HydrophobicContact CB-CE2 4.42Å; L461-F465 HydrophobicContact CD2-CE2 4.23Å; L461-F465 WeakPolarHBondContact O-CD2 3.46Å; L461-F465 PolarHBondContact O-N 3.38Å
462E71.6Confident66.1Low133 Ų133116.6 Ų116.662%0.62159%0.586SS**Hα-helixtrans-64.4-37.1176.5-165.8164.2-160.900111.4K458 F465 A466K458-E462 VanDerWaalsContact O-CB 3.24Å; K458-E462 WeakPolarHBondContact O-CB 3.45Å; K458-E462 PolarHBondContact O-N 3.05Å; E462-F465 PolarHBondContact O-N 3.4Å; E462-A466 WeakPolarHBondContact O-CB 3.31Å; E462-A466 PolarHBondContact O-N 2.97Å
463R70.9Confident66.7Low189 Ų189118.2 Ų118.271%0.71359%0.587SS**Hα-helixtrans-66.4-35.3170.9-152.9174.5-166.2-177.82.8112.2A459 S460 L461 K467A459-R463 WeakPolarHBondContact O-CB 3.33Å; A459-R463 PolarHBondContact O-N 3.21Å; S460-R463 PolarHBondContact O-N 3.08Å; L461-R463 VanDerWaalsContact C-N 3.31Å; L461-R463 PolarHBondContact O-N 3.11Å; R463-K467 WeakPolarHBondContact O-CG 3.4Å; R463-K467 PolarHBondContact O-N 2.81Å
464F71.5Confident67.3Low133 Ų133116.5 Ų116.558%0.58358%0.577SS**Hα-helixtrans-70.8-41.5175.4-164.9-90.6000112.3S460 L461 A466 K467 T468S460-F464 WeakPolarHBondContact O-CB 3.42Å; S460-F464 PolarHBondContact O-N 2.96Å; L461-F464 CarbonylContact O-C 3.45Å; L461-F464 WeakPolarHBondContact O-CB 3.27Å; L461-F464 PolarHBondContact O-N 3.41Å; L461-F464 VanDerWaalsContact O-N 3.1Å; F464-A466 VanDerWaalsContact C-N 3.35Å; F464-K467 PolarHBondContact O-N 3.44Å; F464-T468 HydrophobicContact CD1-CG2 4.26Å; F464-T468 HydrophobicContact CE1-CG2 4.02Å; F464-T468 WeakPolarHBondContact O-CG2 3.39Å; F464-T468 PolarHBondContact O-N 3.4Å; F464-T468 PolarHBondContact O-OG1 2.84Å
465F70.6Confident67.8Low128 Ų128115.2 Ų115.256%0.56158%0.579SS**Hα-helixtrans-67.6-34.3173.8-75.7-65000112.2L461 E462 T468 Q469L461-F465 HydrophobicContact CB-CD2 4.47Å; L461-F465 HydrophobicContact CB-CE2 4.42Å; L461-F465 HydrophobicContact CD2-CE2 4.23Å; L461-F465 WeakPolarHBondContact O-CD2 3.46Å; L461-F465 PolarHBondContact O-N 3.38Å; E462-F465 PolarHBondContact O-N 3.4Å; F465-T468 VanDerWaalsContact CA-OG1 3.31Å; F465-T468 WeakPolarHBondContact CA-OG1 3.45Å; F465-T468 PolarHBondContact O-N 3.16Å; F465-T468 PolarHBondContact O-OG1 3Å; F465-T468 VanDerWaalsContact O-OG1 3.1Å; F465-Q469 PolarHBondContact O-N 3.22Å
466A67.2Low68.2Low63 Ų63113.2 Ų113.252%0.52158%0.575SS.*Hα-helixtrans-67.2-38171.700000112.5E462 F464 T468 Q469E462-A466 WeakPolarHBondContact O-CB 3.31Å; E462-A466 PolarHBondContact O-N 2.97Å; F464-A466 VanDerWaalsContact C-N 3.35Å; A466-T468 VanDerWaalsContact C-N 3.29Å; A466-T468 PolarHBondContact O-N 2.89Å; A466-Q469 PolarHBondContact O-N 3.21Å
467K64.4Low68.3Low148 Ų148113.4 Ų113.464%0.64357%0.57SS**Hα-helixtrans-69.1-23.3174.4-79-173175-152.60113.8R463 F464R463-K467 WeakPolarHBondContact O-CG 3.4Å; R463-K467 PolarHBondContact O-N 2.81Å; F464-K467 PolarHBondContact O-N 3.44Å
468T63.1Low68.1Low77 Ų77113.4 Ų113.447%0.47258%0.582SS.*Hα-helixtrans-95.2-5.3179.649.10000113.6F464 F465 A466 V470F464-T468 HydrophobicContact CD1-CG2 4.26Å; F464-T468 HydrophobicContact CE1-CG2 4.02Å; F464-T468 WeakPolarHBondContact O-CG2 3.39Å; F464-T468 PolarHBondContact O-N 3.4Å; F464-T468 PolarHBondContact O-OG1 2.84Å; F465-T468 VanDerWaalsContact CA-OG1 3.31Å; F465-T468 WeakPolarHBondContact CA-OG1 3.45Å; F465-T468 PolarHBondContact O-N 3.16Å; F465-T468 PolarHBondContact O-OG1 3Å; F465-T468 VanDerWaalsContact O-OG1 3.1Å; A466-T468 VanDerWaalsContact C-N 3.29Å; A466-T468 PolarHBondContact O-N 2.89Å; T468-V470 PolarHBondContact O-N 2.96Å
469Q59.7Low67.9Low145 Ų145108 Ų10868%0.67857%0.567SS**  trans-73.879.6166.2-75.3-175.229.300109.5F465 A466 T471F465-Q469 PolarHBondContact O-N 3.22Å; A466-Q469 PolarHBondContact O-N 3.21Å; Q469-T471 PolarHBondContact O-N 2.89Å; Q469-T471 VanDerWaalsContact O-N 3.11Å
470V61.6Low67.6Low99 Ų99110.2 Ų110.260%0.657%0.566SS**  trans-61.6110.3164.4-179.20000106.6T468 D474 E475T468-V470 PolarHBondContact O-N 2.96Å; V470-D474 HydrophobicContact CG1-CB 3.98Å; V470-E475 HydrophobicContact CG1-CG 4.36Å
471T59.2Low67.3Low70 Ų70109.3 Ų109.343%0.42956%0.563SS.*  trans-78.3150.7175.569.30000108.5Q469 Y473 D474Q469-T471 PolarHBondContact O-N 2.89Å; Q469-T471 VanDerWaalsContact O-N 3.11Å; T471-Y473 PolarHBondContact O-N 3.46Å; T471-D474 PolarHBondContact N-OD2 3.22Å; T471-D474 WeakPolarHBondContact O-CB 3.41Å; T471-D474 PolarHBondContact O-N 2.97Å; T471-D474 PolarHBondContact OG1-OD2 3.34Å
472C61.6Low67Low102 Ų102112.2 Ų112.269%0.68958%0.575SS**THydrogen-bonded Turntrans-55.2-15.1175.4-179.20000113.4
473Y68.7Low66.9Low182 Ų182108.4 Ų108.471%0.71456%0.563SS**THydrogen-bonded Turntrans-78.4-27.8173.2-114.5-92.7000113.5T471 E475 C476T471-Y473 PolarHBondContact O-N 3.46Å; Y473-E475 VanDerWaalsContact C-N 3.33Å; Y473-C476 PolarHBondContact O-N 3.38Å
474D70.1Confident66.5Low49 Ų49107.1 Ų107.126%0.26256%0.559SS.*G310 helixtrans-72.9-27.3178.5-60.4-46.1000111.8V470 T471 C476 Y477V470-D474 HydrophobicContact CG1-CB 3.98Å; T471-D474 PolarHBondContact N-OD2 3.22Å; T471-D474 WeakPolarHBondContact O-CB 3.41Å; T471-D474 PolarHBondContact O-N 2.97Å; T471-D474 PolarHBondContact OG1-OD2 3.34Å; D474-C476 VanDerWaalsContact C-N 3.28Å; D474-C476 PolarHBondContact O-N 3.45Å; D474-Y477 PolarHBondContact O-N 2.99Å
475E71.6Confident66.1Low144 Ų144105.8 Ų105.867%0.67356%0.558SS**G310 helixtrans-70-23.4174.5-63.1-175.417100113.2V470 Y473 Y477V470-E475 HydrophobicContact CG1-CG 4.36Å; Y473-E475 VanDerWaalsContact C-N 3.33Å; E475-Y477 VanDerWaalsContact C-N 3.34Å
476C74.7Confident65.7Low85 Ų85103.1 Ų103.157%0.57456%0.559SS**G310 helixtrans-83.1-11.7-179-63.50000113.4Y473 D474Y473-C476 PolarHBondContact O-N 3.38Å; D474-C476 VanDerWaalsContact C-N 3.28Å; D474-C476 PolarHBondContact O-N 3.45Å
477Y71.5Confident65.4Low139 Ų139107.8 Ų107.855%0.54557%0.572SS.*SBendtrans-139.280.6-179.8-64.5-86.8000111D474 E475 G479 F480D474-Y477 PolarHBondContact O-N 2.99Å; E475-Y477 VanDerWaalsContact C-N 3.34Å; Y477-G479 PolarHBondContact O-N 2.85Å; Y477-F480 VanDerWaalsContact CB-CB 3.44Å; Y477-F480 HydrophobicContact CG-CB 4.37Å; Y477-F480 WeakPolarHBondContact O-CB 2.94Å; Y477-F480 PolarHBondContact O-N 2.96Å
478P63.6Low65Low130 Ų130103.3 Ų103.384%0.84457%0.568SS**THydrogen-bonded Turntrans-59110.7171-14.427.9000108.3
479G67.4Low64.5Low30 Ų30105.9 Ų105.931%0.30958%0.579SS.*THydrogen-bonded Turntrans109.1-11.7-174.500000115.4Y477 S483Y477-G479 PolarHBondContact O-N 2.85Å; G479-S483 VanDerWaalsContact O-CB 3.27Å; G479-S483 WeakPolarHBondContact O-CB 3.13Å; G479-S483 PolarHBondContact O-N 3.46Å; G479-S483 PolarHBondContact O-OG 3.32Å
480F67.7Low64.1Low102 Ų102103.8 Ų103.845%0.44758%0.58SS.*Hα-helixtrans-70.1-43.1174.2-171.7-104000111.3Y477 E482 S483 Y484Y477-F480 VanDerWaalsContact CB-CB 3.44Å; Y477-F480 HydrophobicContact CG-CB 4.37Å; Y477-F480 WeakPolarHBondContact O-CB 2.94Å; Y477-F480 PolarHBondContact O-N 2.96Å; F480-E482 VanDerWaalsContact C-N 3.33Å; F480-E482 PolarHBondContact O-N 3.13Å; F480-S483 WeakPolarHBondContact CA-OG 3.3Å; F480-S483 CarbonylContact O-C 3.55Å; F480-S483 PolarHBondContact O-N 2.87Å; F480-S483 PolarHBondContact O-OG 3.1Å; F480-Y484 HydrophobicContact CE1-CD2 4.11Å; F480-Y484 HydrophobicContact CZ-CD2 4.02Å; F480-Y484 VanDerWaalsContact O-CB 3.28Å; F480-Y484 WeakPolarHBondContact O-CB 3.27Å; F480-Y484 PolarHBondContact O-N 3.45Å
481A65.9Low63.7Low58 Ų58104.8 Ų104.848%0.47958%0.582SS.*Hα-helixtrans-60.1-41.3175.300000112.3Y484 D485A481-Y484 PolarHBondContact O-N 3.28Å; A481-D485 WeakPolarHBondContact O-CB 3.45Å; A481-D485 PolarHBondContact O-N 2.95Å
482E65.4Low63.5Low151 Ų151108.6 Ų108.671%0.70660%0.6SS**Hα-helixtrans-70.1-37.5176.1-69.316416500111.8F480 A486F480-E482 VanDerWaalsContact C-N 3.33Å; F480-E482 PolarHBondContact O-N 3.13Å; E482-A486 VanDerWaalsContact O-CB 3.3Å; E482-A486 WeakPolarHBondContact O-CB 3.49Å; E482-A486 PolarHBondContact O-N 3.3Å
483S67.5Low63Low53 Ų53111.2 Ų111.237%0.37160%0.602SS.*Hα-helixtrans-71.2-30.417574.20000112.8G479 F480 M487G479-S483 VanDerWaalsContact O-CB 3.27Å; G479-S483 WeakPolarHBondContact O-CB 3.13Å; G479-S483 PolarHBondContact O-N 3.46Å; G479-S483 PolarHBondContact O-OG 3.32Å; F480-S483 WeakPolarHBondContact CA-OG 3.3Å; F480-S483 CarbonylContact O-C 3.55Å; F480-S483 PolarHBondContact O-N 2.87Å; F480-S483 PolarHBondContact O-OG 3.1Å; S483-M487 WeakPolarHBondContact O-CB 3.46Å; S483-M487 WeakPolarHBondContact O-CG 3.14Å; S483-M487 PolarHBondContact O-N 3.42Å
484Y64.3Low62.5Low162 Ų162105.2 Ų105.264%0.63559%0.59SS**Hα-helixtrans-79.6-33178.7-154.6-88.8000111.5F480 A481 G488F480-Y484 HydrophobicContact CE1-CD2 4.11Å; F480-Y484 HydrophobicContact CZ-CD2 4.02Å; F480-Y484 VanDerWaalsContact O-CB 3.28Å; F480-Y484 WeakPolarHBondContact O-CB 3.27Å; F480-Y484 PolarHBondContact O-N 3.45Å; A481-Y484 PolarHBondContact O-N 3.28Å; Y484-G488 WeakPolarHBondContact O-CA 3.44Å; Y484-G488 PolarHBondContact O-N 3.42Å
485D61.9Low61.8Low105 Ų105107.7 Ų107.756%0.56160%0.603SS**Hα-helixtrans-66.6-43.9168.4-155.435.2000110.1A481 M487 G488 D489A481-D485 WeakPolarHBondContact O-CB 3.45Å; A481-D485 PolarHBondContact O-N 2.95Å; D485-M487 PolarHBondContact O-N 3.11Å; D485-G488 PolarHBondContact O-N 3.5Å; D485-D489 VanDerWaalsContact O-CB 3.27Å; D485-D489 WeakPolarHBondContact O-CB 3.35Å; D485-D489 PolarHBondContact O-N 2.89Å
486A61.9Low61.3Low72 Ų72107.7 Ų107.760%0.59560%0.601SS**Hα-helixtrans-71.7-26177.200000114.7E482E482-A486 VanDerWaalsContact O-CB 3.3Å; E482-A486 WeakPolarHBondContact O-CB 3.49Å; E482-A486 PolarHBondContact O-N 3.3Å
487M60.6Low61Low161 Ų161109 Ų10979%0.79361%0.611SS**Hα-helixtrans-89-18.4174.5-67.5-88.5-74.100112.3S483 D485S483-M487 WeakPolarHBondContact O-CB 3.46Å; S483-M487 WeakPolarHBondContact O-CG 3.14Å; S483-M487 PolarHBondContact O-N 3.42Å; D485-M487 PolarHBondContact O-N 3.11Å
488G57.3Low60.5Low53 Ų53111 Ų11155%0.54662%0.623SS.*Hα-helixtrans-94.4-14.7176.900000114.4Y484 D485 S490Y484-G488 WeakPolarHBondContact O-CA 3.44Å; Y484-G488 PolarHBondContact O-N 3.42Å; D485-G488 PolarHBondContact O-N 3.5Å; G488-S490 VanDerWaalsContact C-N 3.28Å
489D53Low60.4Low132 Ų132110.1 Ų110.171%0.70661%0.609SS**SBendtrans-9113.7174.1-155.533.7000112.5D485D485-D489 VanDerWaalsContact O-CB 3.27Å; D485-D489 WeakPolarHBondContact O-CB 3.35Å; D485-D489 PolarHBondContact O-N 2.89Å
490S51.7Low59.9Low100 Ų100116.2 Ų116.270%0.69963%0.634SS**  trans-116.935.3174-177.70000111.5G488G488-S490 VanDerWaalsContact C-N 3.28Å
491D51.6Low59.6Low121 Ų121117 Ų11765%0.64764%0.642SS**  trans-129.272.4161.8-16114.8000107.7E493D491-E493 PolarHBondContact O-N 2.77Å
492D55.9Low58.6Low149 Ų149117 Ų11780%0.79765%0.648SS**  trans-59.577155.4-68.5-33.2000107.1A494D492-A494 VanDerWaalsContact C-N 3.34Å; D492-A494 PolarHBondContact O-N 3.26Å
493E51.7Low58.1Low158 Ų158116.9 Ų116.974%0.73865%0.652SS**  trans-53.6109.8160.9-83.5-164.8166.300105D491 D495D491-E493 PolarHBondContact O-N 2.77Å; E493-D495 PolarHBondContact O-N 3.27Å
494A58.1Low57.5Low56 Ų56122.5 Ų122.546%0.46367%0.67SS.*  trans-50.5110.8179.600000107.6D492 F496D492-A494 VanDerWaalsContact C-N 3.34Å; D492-A494 PolarHBondContact O-N 3.26Å; A494-F496 HydrophobicContact CB-CD2 4.42Å; A494-F496 HydrophobicContact CB-CE1 4.26Å; A494-F496 HydrophobicContact CB-CE2 3.87Å; A494-F496 HydrophobicContact CB-CZ 3.77Å; A494-F496 WeakPolarHBondContact O-CD2 3.4Å; A494-F496 VanDerWaalsContact O-CE2 3.3Å; A494-F496 WeakPolarHBondContact O-CE2 2.97Å; A494-F496 WeakPolarHBondContact O-CG 3.47Å; A494-F496 PolarHBondContact O-N 3.19Å
495D55Low57.1Low101 Ų101124.3 Ų124.354%0.5468%0.681SS.*  trans-66.484.3-179.3-175.810.4000108.9E493 S497 K498E493-D495 PolarHBondContact O-N 3.27Å; D495-S497 PolarHBondContact O-N 3.44Å; D495-S497 VanDerWaalsContact O-N 3.13Å; D495-S497 WeakPolarHBondContact OD1-CB 3.3Å; D495-S497 PolarHBondContact OD1-N 3.07Å; D495-K498 PolarHBondContact O-N 2.86Å
496F60.6Low57.3Low144 Ų144121.9 Ų121.963%0.63268%0.681SS**G310 helixtrans-66.6-8.5178.6-64.2-76.6000111.7A494 K498 M499A494-F496 HydrophobicContact CB-CD2 4.42Å; A494-F496 HydrophobicContact CB-CE1 4.26Å; A494-F496 HydrophobicContact CB-CE2 3.87Å; A494-F496 HydrophobicContact CB-CZ 3.77Å; A494-F496 WeakPolarHBondContact O-CD2 3.4Å; A494-F496 VanDerWaalsContact O-CE2 3.3Å; A494-F496 WeakPolarHBondContact O-CE2 2.97Å; A494-F496 WeakPolarHBondContact O-CG 3.47Å; A494-F496 PolarHBondContact O-N 3.19Å; F496-K498 PolarHBondContact O-N 2.87Å; F496-M499 HydrophobicContact CD1-CE 3.13Å; F496-M499 HydrophobicContact CD1-CG 4.4Å; F496-M499 HydrophobicContact CE1-CE 3.1Å; F496-M499 HydrophobicContact CG-CE 4.37Å; F496-M499 HydrophobicContact CZ-CE 4.33Å; F496-M499 PolarHBondContact O-N 2.84Å
497S68.1Low57.7Low111 Ų111124.5 Ų124.578%0.77669%0.692SS**G310 helixtrans-65.1-24.8174-162.20000112.2D495D495-S497 PolarHBondContact O-N 3.44Å; D495-S497 VanDerWaalsContact O-N 3.13Å; D495-S497 WeakPolarHBondContact OD1-CB 3.3Å; D495-S497 PolarHBondContact OD1-N 3.07Å
498K60.7Low58.2Low183 Ų183119.7 Ų119.780%0.79667%0.671SS**G310 helixtrans-106.82.1175.4-66.9-168.6-178169.30114.5D495 F496 D500D495-K498 PolarHBondContact O-N 2.86Å; F496-K498 PolarHBondContact O-N 2.87Å; K498-D500 PolarHBondContact O-N 3.24Å
499M62.1Low59.3Low110 Ų110117.9 Ų117.954%0.54265%0.653SS.*SBendtrans-77.7107.5171.2-78.4-128.1-95.800109.7F496 L501F496-M499 HydrophobicContact CD1-CE 3.13Å; F496-M499 HydrophobicContact CD1-CG 4.4Å; F496-M499 HydrophobicContact CE1-CE 3.1Å; F496-M499 HydrophobicContact CG-CE 4.37Å; F496-M499 HydrophobicContact CZ-CE 4.33Å; F496-M499 PolarHBondContact O-N 2.84Å; M499-L501 PolarHBondContact O-N 2.7Å
500D56.1Low60.7Low158 Ų158119.2 Ų119.285%0.84565%0.648SS**  trans-44.5116.1166.2-164.43.4000108.2K498 G502K498-D500 PolarHBondContact O-N 3.24Å; D500-G502 PolarHBondContact O-N 3.43Å
501L61.9Low62.1Low118 Ų118124.6 Ų124.662%0.61865%0.654SS**  trans-69.668-174.9-70.7162.3000109.1M499 N503 K504M499-L501 PolarHBondContact O-N 2.7Å; L501-N503 PolarHBondContact O-N 3.09Å; L501-K504 HydrophobicContact CD2-CD 3.86Å
502G46.3Very low63.6Low59 Ų59122.5 Ų122.561%0.60864%0.642SS**THydrogen-bonded Turntrans-54.3105.4179.600000110D500 K504D500-G502 PolarHBondContact O-N 3.43Å; G502-K504 PolarHBondContact O-N 3.12Å; G502-K504 VanDerWaalsContact O-N 3.15Å
503N53.5Low65.1Low148 Ų148117.6 Ų117.679%0.79161%0.614SS**THydrogen-bonded Turntrans45.148.5164-62.2-16.6000116.9L501 K505L501-N503 PolarHBondContact O-N 3.09Å; N503-K505 PolarHBondContact O-N 3.42Å
504K55.9Low66.5Low172 Ų172119.3 Ų119.375%0.74862%0.622SS**  trans-67.564.4164.4-57-173.8-179.3178.10111.1L501 G502L501-K504 HydrophobicContact CD2-CD 3.86Å; G502-K504 PolarHBondContact O-N 3.12Å; G502-K504 VanDerWaalsContact O-N 3.15Å
505K55.4Low67.7Low200 Ų200120 Ų12087%0.8762%0.62SS**  trans-10630.6176-86.9-177171.3175.90111.4N503N503-K505 PolarHBondContact O-N 3.42Å
506G65.6Low69Low54 Ų54119.6 Ų119.656%0.55762%0.615SS**SBendtrans-93.4147.8175.700000111.5V508G506-V508 PolarHBondContact O-N 3.47Å
507P70.5Confident70Confident126 Ų126119.7 Ų119.782%0.81862%0.618SS**PPolyproline II helixtrans-61.3123168.7-10.424.3000108.9G509P507-G509 PolarHBondContact O-N 2.89Å
508V72.2Confident70.8Confident60 Ų60118.8 Ų118.836%0.36460%0.601SS.*PPolyproline II helixtrans-60120.6179.3-171.10000109.5G506 D512 F513 Y522G506-V508 PolarHBondContact O-N 3.47Å; V508-D512 VanDerWaalsContact CA-OD2 3.28Å; V508-D512 WeakPolarHBondContact CA-OD2 3.42Å; V508-D512 HydrophobicContact CG1-CB 3.69Å; V508-F513 HydrophobicContact CG1-CE2 3.49Å; V508-F513 VanDerWaalsContact CG1-CE2 3.49Å; V508-F513 HydrophobicContact CG1-CZ 3.54Å; V508-Y522 HydrophobicContact CB-CE1 4.11Å; V508-Y522 HydrophobicContact CB-CE2 4.46Å; V508-Y522 HydrophobicContact CG1-CE1 4.25Å
509G78.8Confident72.1Confident16 Ų16112.7 Ų112.717%0.16557%0.574CS.*  trans-106.3174.8-177.100000112.7P507 W511 D512 F513P507-G509 PolarHBondContact O-N 2.89Å; G509-W511 PolarHBondContact O-N 2.85Å; G509-W511 VanDerWaalsContact O-N 3.1Å; G509-D512 PolarHBondContact N-OD2 3Å; G509-D512 PolarHBondContact O-N 3.27Å; G509-D512 VanDerWaalsContact O-N 3.12Å; G509-F513 WeakPolarHBondContact O-CD2 3.32Å; G509-F513 WeakPolarHBondContact O-CE2 2.9Å
510R82.5Confident73.1Confident160 Ų160110.5 Ų110.560%0.60457%0.569SS**G310 helixtrans-58-25.4179.1-178.8175.7176.9-94-4.5114Q516 Y519R510-Q516 VanDerWaalsContact CZ-OE1 3.32Å; R510-Y519 HydrophobicContact CB-CD1 4.38Å; R510-Y519 HydrophobicContact CB-CD2 4.19Å; R510-Y519 HydrophobicContact CB-CE1 4.14Å; R510-Y519 HydrophobicContact CB-CE2 3.95Å; R510-Y519 HydrophobicContact CB-CG 4.38Å; R510-Y519 HydrophobicContact CG-CD1 4.05Å; R510-Y519 HydrophobicContact CG-CE1 4.15Å; R510-Y519 HydrophobicContact CG-CG 4.2Å
511W81Confident74.5Confident213 Ų213107.6 Ų107.681%0.80755%0.554SS**G310 helixtrans-87.8-5.3-176.853.1-85.4000113.4G509G509-W511 PolarHBondContact O-N 2.85Å; G509-W511 VanDerWaalsContact O-N 3.1Å
512D83.8Confident75.7Confident77 Ų77105.1 Ų105.141%0.41254%0.536SS..G310 helixtrans-83.82.2173.4-65.5-50.3000112.6V508 G509V508-D512 VanDerWaalsContact CA-OD2 3.28Å; V508-D512 WeakPolarHBondContact CA-OD2 3.42Å; V508-D512 HydrophobicContact CG1-CB 3.69Å; G509-D512 PolarHBondContact N-OD2 3Å; G509-D512 PolarHBondContact O-N 3.27Å; G509-D512 VanDerWaalsContact O-N 3.12Å
513F87.3Confident77.4Confident46 Ų46106.9 Ų106.920%0.20253%0.53CS..  trans-121.3136-179.5-59.4-82.6000110.1V508 G509 T515 E518 Y519 Y522V508-F513 HydrophobicContact CG1-CE2 3.49Å; V508-F513 VanDerWaalsContact CG1-CE2 3.49Å; V508-F513 HydrophobicContact CG1-CZ 3.54Å; G509-F513 WeakPolarHBondContact O-CD2 3.32Å; G509-F513 WeakPolarHBondContact O-CE2 2.9Å; F513-T515 VanDerWaalsContact C-N 3.27Å; F513-E518 HydrophobicContact CB-CB 4.14Å; F513-E518 HydrophobicContact CD1-CB 3.96Å; F513-E518 HydrophobicContact CG-CB 4.4Å; F513-Y519 AromaticContact CD2-CD2 3.54Å; F513-Y519 HydrophobicContact CD2-CD2 3.54Å; F513-Y519 HydrophobicContact CD2-CG 4.16Å; F513-Y519 AromaticContact CE2-CD2 3.64Å; F513-Y519 HydrophobicContact CE2-CD2 3.64Å; F513-Y519 HydrophobicContact CE2-CE2 4.44Å; F513-Y522 HydrophobicContact CE1-CD2 4.28Å; F513-Y522 AromaticContact CE1-CG 3.93Å; F513-Y522 HydrophobicContact CE1-CG 3.93Å; F513-Y522 AromaticContact CE2-CD1 3.76Å; F513-Y522 HydrophobicContact CE2-CD1 3.76Å; F513-Y522 HydrophobicContact CE2-CE1 4.35Å; F513-Y522 AromaticContact CE2-CG 3.96Å; F513-Y522 HydrophobicContact CE2-CG 3.96Å; F513-Y522 VanDerWaalsContact CZ-CB 3.4Å; F513-Y522 AromaticContact CZ-CD1 3.49Å; F513-Y522 HydrophobicContact CZ-CD1 3.49Å; F513-Y522 VanDerWaalsContact CZ-CD1 3.49Å; F513-Y522 AromaticContact CZ-CD2 3.68Å; F513-Y522 HydrophobicContact CZ-CD2 3.68Å; F513-Y522 HydrophobicContact CZ-CE1 4.18Å; F513-Y522 HydrophobicContact CZ-CE2 4.33Å; F513-Y522 AromaticContact CZ-CG 3.22Å; F513-Y522 HydrophobicContact CZ-CG 3.22Å
514E82.2Confident78.7Confident194 Ų194104.6 Ų104.691%0.90753%0.525SS*.SBendtrans-72.3-28.7177.4-67.5-176.4172.600111.1
515T82.5Confident79.9Confident70 Ų70103 Ų10343%0.42953%0.525SS..SBendtrans-121.6138.6-176-19.20000111.7F513 E517 E518 Y519F513-T515 VanDerWaalsContact C-N 3.27Å; T515-E517 HydrophobicContact CG2-CB 4.37Å; T515-E517 PolarHBondContact O-N 3.44Å; T515-E518 PolarHBondContact N-OE2 3.17Å; T515-E518 WeakPolarHBondContact O-CB 3.2Å; T515-E518 PolarHBondContact O-N 3.22Å; T515-E518 PolarHBondContact OG1-OE2 2.8Å; T515-Y519 PolarHBondContact O-N 3.44Å; T515-Y519 VanDerWaalsContact O-N 3.12Å
516Q83.1Confident80.9Confident92 Ų9299 Ų9943%0.4351%0.508SS..Hα-helixtrans-61.5-28.8173.3176.260.962.300112.2R510 S520R510-Q516 VanDerWaalsContact CZ-OE1 3.32Å; Q516-S520 PolarHBondContact O-N 3.21Å; Q516-S520 VanDerWaalsContact O-N 3.09Å
517E81.6Confident81Confident146 Ų146104.9 Ų104.968%0.68252%0.521SS*.Hα-helixtrans-68.4-43.6176-160.1166.6-153.600110.9T515 Y519 S520 D521T515-E517 HydrophobicContact CG2-CB 4.37Å; T515-E517 PolarHBondContact O-N 3.44Å; E517-Y519 PolarHBondContact O-N 2.8Å; E517-S520 CarbonylContact O-C 3.55Å; E517-S520 WeakPolarHBondContact O-CA 3.37Å; E517-S520 WeakPolarHBondContact O-CB 3.31Å; E517-S520 PolarHBondContact O-N 3.13Å; E517-S520 VanDerWaalsContact O-N 3.07Å; E517-D521 PolarHBondContact O-N 3.24Å
518E84.6Confident80.5Confident92 Ų92103.5 Ų103.543%0.4352%0.52SS..Hα-helixtrans-59.5-42.1172-111-179.5155.400113F513 T515 S520 D521 Y522F513-E518 HydrophobicContact CB-CB 4.14Å; F513-E518 HydrophobicContact CD1-CB 3.96Å; F513-E518 HydrophobicContact CG-CB 4.4Å; T515-E518 PolarHBondContact N-OE2 3.17Å; T515-E518 WeakPolarHBondContact O-CB 3.2Å; T515-E518 PolarHBondContact O-N 3.22Å; T515-E518 PolarHBondContact OG1-OE2 2.8Å; E518-S520 VanDerWaalsContact C-N 3.3Å; E518-S520 PolarHBondContact O-N 3.29Å; E518-D521 PolarHBondContact O-N 3.35Å; E518-Y522 WeakPolarHBondContact O-CB 3.43Å; E518-Y522 PolarHBondContact O-N 3.05Å
519Y87.6Confident80Confident56 Ų56106.6 Ų106.622%0.2253%0.534CS..Hα-helixtrans-64.4-37.1174177.2-111.7000111.8R510 F513 T515 E517 M523R510-Y519 HydrophobicContact CB-CD1 4.38Å; R510-Y519 HydrophobicContact CB-CD2 4.19Å; R510-Y519 HydrophobicContact CB-CE1 4.14Å; R510-Y519 HydrophobicContact CB-CE2 3.95Å; R510-Y519 HydrophobicContact CB-CG 4.38Å; R510-Y519 HydrophobicContact CG-CD1 4.05Å; R510-Y519 HydrophobicContact CG-CE1 4.15Å; R510-Y519 HydrophobicContact CG-CG 4.2Å; F513-Y519 AromaticContact CD2-CD2 3.54Å; F513-Y519 HydrophobicContact CD2-CD2 3.54Å; F513-Y519 HydrophobicContact CD2-CG 4.16Å; F513-Y519 AromaticContact CE2-CD2 3.64Å; F513-Y519 HydrophobicContact CE2-CD2 3.64Å; F513-Y519 HydrophobicContact CE2-CE2 4.44Å; T515-Y519 PolarHBondContact O-N 3.44Å; T515-Y519 VanDerWaalsContact O-N 3.12Å; E517-Y519 PolarHBondContact O-N 2.8Å; Y519-M523 HydrophobicContact CD2-CG 4.3Å; Y519-M523 HydrophobicContact CE1-CG 4.17Å; Y519-M523 HydrophobicContact CE2-CG 3.92Å; Y519-M523 HydrophobicContact CE2-SD 4.22Å; Y519-M523 WeakPolarHBondContact O-CB 3.45Å; Y519-M523 WeakPolarHBondContact O-CG 3.35Å; Y519-M523 PolarHBondContact O-N 3.1Å
520S83.7Confident79.2Confident63 Ų63109.8 Ų109.844%0.44155%0.551SS.*Hα-helixtrans-67.7-42.6176.1-86.50000112.1Q516 E517 E518 M523 S524Q516-S520 PolarHBondContact O-N 3.21Å; Q516-S520 VanDerWaalsContact O-N 3.09Å; E517-S520 CarbonylContact O-C 3.55Å; E517-S520 WeakPolarHBondContact O-CA 3.37Å; E517-S520 WeakPolarHBondContact O-CB 3.31Å; E517-S520 PolarHBondContact O-N 3.13Å; E517-S520 VanDerWaalsContact O-N 3.07Å; E518-S520 VanDerWaalsContact C-N 3.3Å; E518-S520 PolarHBondContact O-N 3.29Å; S520-M523 PolarHBondContact O-N 3.12Å; S520-S524 VanDerWaalsContact O-CB 3.31Å; S520-S524 WeakPolarHBondContact O-CB 3.38Å; S520-S524 PolarHBondContact O-N 3.36Å
521D85.4Confident78Confident98 Ų98111.2 Ų111.252%0.52456%0.562SS.*Hα-helixtrans-65.5-41.2175.2-74.5-14.1000111.6E517 E518 M523 S524 N525E517-D521 PolarHBondContact O-N 3.24Å; E518-D521 PolarHBondContact O-N 3.35Å; D521-M523 VanDerWaalsContact C-N 3.33Å; D521-M523 PolarHBondContact O-N 3.1Å; D521-S524 PolarHBondContact O-N 2.68Å; D521-N525 WeakPolarHBondContact O-CB 3.45Å; D521-N525 PolarHBondContact O-N 2.9Å
522Y85.3Confident76.7Confident66 Ų66104.4 Ų104.426%0.25955%0.551SS.*Hα-helixtrans-59.4-42.8172.3170.6-103.2000112.2V508 F513 E518 S524 K526V508-Y522 HydrophobicContact CB-CE1 4.11Å; V508-Y522 HydrophobicContact CB-CE2 4.46Å; V508-Y522 HydrophobicContact CG1-CE1 4.25Å; F513-Y522 HydrophobicContact CE1-CD2 4.28Å; F513-Y522 AromaticContact CE1-CG 3.93Å; F513-Y522 HydrophobicContact CE1-CG 3.93Å; F513-Y522 AromaticContact CE2-CD1 3.76Å; F513-Y522 HydrophobicContact CE2-CD1 3.76Å; F513-Y522 HydrophobicContact CE2-CE1 4.35Å; F513-Y522 AromaticContact CE2-CG 3.96Å; F513-Y522 HydrophobicContact CE2-CG 3.96Å; F513-Y522 VanDerWaalsContact CZ-CB 3.4Å; F513-Y522 AromaticContact CZ-CD1 3.49Å; F513-Y522 HydrophobicContact CZ-CD1 3.49Å; F513-Y522 VanDerWaalsContact CZ-CD1 3.49Å; F513-Y522 AromaticContact CZ-CD2 3.68Å; F513-Y522 HydrophobicContact CZ-CD2 3.68Å; F513-Y522 HydrophobicContact CZ-CE1 4.18Å; F513-Y522 HydrophobicContact CZ-CE2 4.33Å; F513-Y522 AromaticContact CZ-CG 3.22Å; F513-Y522 HydrophobicContact CZ-CG 3.22Å; E518-Y522 WeakPolarHBondContact O-CB 3.43Å; E518-Y522 PolarHBondContact O-N 3.05Å; Y522-S524 VanDerWaalsContact C-N 3.34Å; Y522-K526 HydrophobicContact CE1-CD 4.43Å; Y522-K526 WeakPolarHBondContact O-CB 3.47Å; Y522-K526 PolarHBondContact O-N 3.23Å; Y522-K526 VanDerWaalsContact O-N 3.17Å; Y522-K526 PolarHBondContact OH-NZ 2.77Å
523M83.7Confident75.3Confident96 Ų96104 Ų10447%0.47356%0.558SS.*Hα-helixtrans-71.2-29.8177.5-71.2-66.4-71.100112.5Y519 S520 D521Y519-M523 HydrophobicContact CD2-CG 4.3Å; Y519-M523 HydrophobicContact CE1-CG 4.17Å; Y519-M523 HydrophobicContact CE2-CG 3.92Å; Y519-M523 HydrophobicContact CE2-SD 4.22Å; Y519-M523 WeakPolarHBondContact O-CB 3.45Å; Y519-M523 WeakPolarHBondContact O-CG 3.35Å; Y519-M523 PolarHBondContact O-N 3.1Å; S520-M523 PolarHBondContact O-N 3.12Å; D521-M523 VanDerWaalsContact C-N 3.33Å; D521-M523 PolarHBondContact O-N 3.1Å
524S80.9Confident73.8Confident99 Ų99108.5 Ų108.569%0.69258%0.578SS**Hα-helixtrans-77.9-38.5177.4-168.60000112.6S520 D521 Y522 K526S520-S524 VanDerWaalsContact O-CB 3.31Å; S520-S524 WeakPolarHBondContact O-CB 3.38Å; S520-S524 PolarHBondContact O-N 3.36Å; D521-S524 PolarHBondContact O-N 2.68Å; Y522-S524 VanDerWaalsContact C-N 3.34Å; S524-K526 PolarHBondContact O-N 3.25Å
525N80.7Confident72.5Confident138 Ų138107 Ų10774%0.73857%0.571SS**SBendtrans-79.1-5.1174.7-836.3000113.3D521 E527D521-N525 WeakPolarHBondContact O-CB 3.45Å; D521-N525 PolarHBondContact O-N 2.9Å; N525-E527 PolarHBondContact O-N 2.74Å
526K76.2Confident70.8Confident117 Ų117114.4 Ų114.451%0.50959%0.593SS.*  trans-72.681.2173.7-142178.7-172.9168.70108.8Y522 S524 A528Y522-K526 HydrophobicContact CE1-CD 4.43Å; Y522-K526 WeakPolarHBondContact O-CB 3.47Å; Y522-K526 PolarHBondContact O-N 3.23Å; Y522-K526 VanDerWaalsContact O-N 3.17Å; Y522-K526 PolarHBondContact OH-NZ 2.77Å; S524-K526 PolarHBondContact O-N 3.25Å; K526-A528 PolarHBondContact O-N 2.97Å; K526-A528 VanDerWaalsContact O-N 3.1Å
527E67.1Low69.2Low177 Ų177113.6 Ų113.683%0.82761%0.609SS**  trans-49.2119.9173.5-114.4-179.2175.500108.8N525 L529N525-E527 PolarHBondContact O-N 2.74Å; E527-L529 PolarHBondContact O-N 2.85Å
528A60.5Low67.9Low98 Ų98112.1 Ų112.181%0.8161%0.61SS**  trans-68.785.3-176.800000109.4K526 P530K526-A528 PolarHBondContact O-N 2.97Å; K526-A528 VanDerWaalsContact O-N 3.1Å; A528-P530 WeakPolarHBondContact O-CD 3.28Å
529L61.6Low66.7Low125 Ų125117.3 Ų117.365%0.65463%0.631SS**  trans-55123.6166.6-85.8155.4000108.1E527 K531 F534E527-L529 PolarHBondContact O-N 2.85Å; L529-K531 PolarHBondContact O-N 2.99Å; L529-F534 HydrophobicContact CB-CE2 4.16Å; L529-F534 HydrophobicContact CD1-CE2 4.48Å; L529-F534 HydrophobicContact CD2-CE2 3.88Å; L529-F534 HydrophobicContact CD2-CZ 4.18Å; L529-F534 HydrophobicContact CG-CE2 4.4Å
530P61.5Low65Low82 Ų82123.1 Ų123.153%0.53266%0.662SS.*  trans-57.3115.4-178.5-22.130.6000109.2A528 A532 A533A528-P530 WeakPolarHBondContact O-CD 3.28Å; P530-A532 PolarHBondContact O-N 3.15Å; P530-A533 HydrophobicContact CB-CB 4.07Å; P530-A533 WeakPolarHBondContact O-CB 3.42Å; P530-A533 PolarHBondContact O-N 2.72Å
531K58.6Low63.4Low191 Ų191125 Ų12583%0.8368%0.681SS**THydrogen-bonded Turntrans-58.1-20.7-179.9-146.1164.8-176.4172.90112.2L529L529-K531 PolarHBondContact O-N 2.99Å
532A53.7Low61.2Low70 Ų70128.3 Ų128.358%0.57970%0.699SS**THydrogen-bonded Turntrans-79.7-25.417400000114.4P530 F534 Q535P530-A532 PolarHBondContact O-N 3.15Å; A532-F534 VanDerWaalsContact C-N 3.28Å; A532-F534 PolarHBondContact O-N 3.37Å; A532-Q535 PolarHBondContact O-N 3.15Å; A532-Q535 VanDerWaalsContact O-N 3.15Å
533A52.9Low59.2Low67 Ų67128.3 Ų128.355%0.55472%0.72SS**THydrogen-bonded Turntrans-70.6-23.9-177.700000113P530P530-A533 HydrophobicContact CB-CB 4.07Å; P530-A533 WeakPolarHBondContact O-CB 3.42Å; P530-A533 PolarHBondContact O-N 2.72Å
534F55.6Low57.1Low142 Ų142134.7 Ų134.762%0.62374%0.738SS**THydrogen-bonded Turntrans-95-1.4173.5-65-80000113.7L529 A532L529-F534 HydrophobicContact CB-CE2 4.16Å; L529-F534 HydrophobicContact CD1-CE2 4.48Å; L529-F534 HydrophobicContact CD2-CE2 3.88Å; L529-F534 HydrophobicContact CD2-CZ 4.18Å; L529-F534 HydrophobicContact CG-CE2 4.4Å; A532-F534 VanDerWaalsContact C-N 3.28Å; A532-F534 PolarHBondContact O-N 3.37Å
535Q56Low55.5Low163 Ų163140.2 Ų140.276%0.76274%0.744SS**THydrogen-bonded Turntrans-89.6-12.9-177.7-155.9166.4-2.300112.5A532A532-Q535 PolarHBondContact O-N 3.15Å; A532-Q535 VanDerWaalsContact O-N 3.15Å
536Y45.9Very low53.9Low225 Ų225140.1 Ų140.188%0.88275%0.749SS**SBendtrans-100.383.4174.3-155.7-93.9000109.8
537G50.5Low52.3Low75 Ų75145.5 Ų145.577%0.77377%0.766SS**SBendtrans149.2-12172.200000116.8
538V54.5Low51.5Low115 Ų115148.8 Ų148.870%0.69777%0.771SS**  trans-103.499.7179.3-172.60000109.9M540V538-M540 PolarHBondContact O-N 2.98Å; V538-M540 VanDerWaalsContact O-N 3.14Å
539K58.4Low51.1Low201 Ų201150 Ų15087%0.87476%0.762SS**  trans-52.9112.2170.2-174.6175176.5177.60109A541K539-A541 PolarHBondContact O-N 3.14Å
540M51.7Low50.7Low178 Ų178146 Ų14688%0.87775%0.751SS**  trans-56.8106.2179.2-67.5-76.1-83.800109.7V538 D542V538-M540 PolarHBondContact O-N 2.98Å; V538-M540 VanDerWaalsContact O-N 3.14Å; M540-D542 PolarHBondContact O-N 3.43Å
541A50.1Low50.5Low101 Ų101147.4 Ų147.484%0.83576%0.76SS**  trans-74.188.5162.100000107.4K539 G543K539-A541 PolarHBondContact O-N 3.14Å; A541-G543 PolarHBondContact O-N 3.36Å
542D40.5Very low50.6Low168 Ų168146.9 Ų146.990%0.89876%0.758SS**  trans-42.9125.3158-171.514.9000109.8M540M540-D542 PolarHBondContact O-N 3.43Å
543G42.9Very low51.2Low67 Ų67148.4 Ų148.469%0.69176%0.756SS**  trans112.541.7165.500000120.4A541A541-G543 PolarHBondContact O-N 3.36Å
544R39.1Very low52.3Low230 Ų230150 Ų15087%0.86875%0.752SS**  trans-140.686.3160.5-126.6174.9-175.2-177.62.7114.1T546R544-T546 PolarHBondContact O-N 3.39Å
545R47.7Very low53.5Low214 Ų214150.7 Ų150.781%0.80876%0.755SS**  trans-53.5124.4163.6-78.6172.9112-171-0.9109.3E554R545-E554 IonicContact NH1-OE1 3.83Å; R545-E554 IonicContact NH2-OE1 3.6Å
546T46.5Very low54.7Low137 Ų137145.1 Ų145.184%0.8474%0.737SS**  trans-72.1130.1175.760.30000110.2R544 R548R544-T546 PolarHBondContact O-N 3.39Å; T546-R548 PolarHBondContact O-N 3.03Å
547R43.4Very low56.5Low230 Ų230138.6 Ų138.687%0.86872%0.715SS**SBendtrans-42.1123.3173-57.6171.9-173.9-158.4-0.1111.5
548R50.5Low58.3Low246 Ų246140.4 Ų140.493%0.92871%0.706SS**  trans165.17.8150.2-78.6-113.2-173-170.41.4114.1T546T546-R548 PolarHBondContact O-N 3.03Å
549I51.9Low60.1Low123 Ų123138.9 Ų138.963%0.63169%0.694SS**  trans-11998.9167.7-59.3150000106.5D553I549-D553 HydrophobicContact CG2-CB 4.31Å
550G53.2Low61.6Low40 Ų40137.6 Ų137.641%0.41268%0.683SS.*  trans-72.4159.7175.400000110.8K552 D553G550-K552 PolarHBondContact O-N 3.11Å; G550-D553 PolarHBondContact O-N 3.45Å
551P57.8Low63.7Low112 Ų112133.5 Ų133.573%0.72766%0.662SS**Hα-helixtrans-60.5-0.6178.824.5-33.8000114.7K555P551-K555 WeakPolarHBondContact O-CB 3.44Å; P551-K555 PolarHBondContact O-N 3.24Å
552K60.3Low65.7Low180 Ų180132.9 Ų132.978%0.78364%0.644SS**Hα-helixtrans-76.6-32.1177.7-129.1176.7179.2-177.80112.6G550 A556G550-K552 PolarHBondContact O-N 3.11Å; K552-A556 WeakPolarHBondContact O-CB 3.39Å; K552-A556 PolarHBondContact O-N 2.8Å; K552-A556 VanDerWaalsContact O-N 3.11Å
553D65.3Low68.3Low103 Ų103130.2 Ų130.255%0.55163%0.626SS**Hα-helixtrans-81.8-38.4178.7-71.4-23.1000112.1I549 G550 K555 A556 E557I549-D553 HydrophobicContact CG2-CB 4.31Å; G550-D553 PolarHBondContact O-N 3.45Å; D553-K555 VanDerWaalsContact C-N 3.3Å; D553-K555 PolarHBondContact O-N 2.89Å; D553-A556 PolarHBondContact O-N 3.27Å; D553-E557 WeakPolarHBondContact O-CB 3.33Å; D553-E557 PolarHBondContact O-N 2.88Å
554E75.9Confident70.8Confident99 Ų99133.9 Ų133.946%0.46362%0.624SS.*Hα-helixtrans-62.7-39171.6-72.2-177.3176.400110.8R545 E557 L558R545-E554 IonicContact NH1-OE1 3.83Å; R545-E554 IonicContact NH2-OE1 3.6Å; E554-E557 PolarHBondContact O-N 3.27Å; E554-L558 WeakPolarHBondContact O-CB 3.45Å; E554-L558 WeakPolarHBondContact O-CG 3.4Å; E554-L558 PolarHBondContact O-N 3.33Å
555K81.7Confident73.2Confident157 Ų157127.4 Ų127.468%0.68361%0.605SS**Hα-helixtrans-66-39.5174.5-171.4176.4-179.6-1790112.7P551 D553 D559P551-K555 WeakPolarHBondContact O-CB 3.44Å; P551-K555 PolarHBondContact O-N 3.24Å; D553-K555 VanDerWaalsContact C-N 3.3Å; D553-K555 PolarHBondContact O-N 2.89Å; K555-D559 WeakPolarHBondContact O-CB 3.19Å; K555-D559 PolarHBondContact O-N 2.97Å
556A80.2Confident75.4Confident47 Ų47122.2 Ų122.239%0.38859%0.59SS.*Hα-helixtrans-69.5-36177.200000112.4K552 D553 D559 R560K552-A556 WeakPolarHBondContact O-CB 3.39Å; K552-A556 PolarHBondContact O-N 2.8Å; K552-A556 VanDerWaalsContact O-N 3.11Å; D553-A556 PolarHBondContact O-N 3.27Å; A556-D559 PolarHBondContact O-N 3.46Å; A556-R560 WeakPolarHBondContact O-CG 3.42Å; A556-R560 PolarHBondContact O-N 2.88Å
557E84.8Confident77.6Confident88 Ų88118 Ų11841%0.41157%0.566SS.*Hα-helixtrans-69.6-42.5174.2-175.456.6-151.400111.5D553 E554 D559 R560 Q561D553-E557 WeakPolarHBondContact O-CB 3.33Å; D553-E557 PolarHBondContact O-N 2.88Å; E554-E557 PolarHBondContact O-N 3.27Å; E557-D559 VanDerWaalsContact C-N 3.31Å; E557-D559 PolarHBondContact O-N 2.89Å; E557-R560 PolarHBondContact O-N 3.36Å; E557-Q561 WeakPolarHBondContact O-CB 3.29Å; E557-Q561 VanDerWaalsContact O-CG 3.29Å; E557-Q561 WeakPolarHBondContact O-CG 3.34Å; E557-Q561 PolarHBondContact O-N 3.43Å; E557-Q561 PolarHBondContact OE1-NE2 3.01Å
558L88.8Confident79.8Confident113 Ų113110.3 Ų110.359%0.59254%0.542SS*.Hα-helixtrans-61-38.9173-73.8171.2000111.9E554 Q561 L562E554-L558 WeakPolarHBondContact O-CB 3.45Å; E554-L558 WeakPolarHBondContact O-CG 3.4Å; E554-L558 PolarHBondContact O-N 3.33Å; L558-Q561 PolarHBondContact O-N 3.48Å; L558-L562 VanDerWaalsContact O-CB 3.24Å; L558-L562 WeakPolarHBondContact O-CB 3.24Å; L558-L562 PolarHBondContact O-N 3.42Å
559D90.8Very high81.6Confident83 Ų83103.5 Ų103.544%0.44452%0.522SS..Hα-helixtrans-68.7-41.1177.2-162.446.5000112K555 A556 E557 L562 Q563K555-D559 WeakPolarHBondContact O-CB 3.19Å; K555-D559 PolarHBondContact O-N 2.97Å; A556-D559 PolarHBondContact O-N 3.46Å; E557-D559 VanDerWaalsContact C-N 3.31Å; E557-D559 PolarHBondContact O-N 2.89Å; D559-L562 PolarHBondContact O-N 2.98Å; D559-Q563 WeakPolarHBondContact O-CG 3.49Å; D559-Q563 PolarHBondContact O-N 3.49Å
560R91.4Very high83.4Confident173 Ų173103.7 Ų103.765%0.65352%0.521SS*.Hα-helixtrans-61.4-43.7171.4-77.8179.8-174.9174.92.1112.3A556 E557 Q563 K564A556-R560 WeakPolarHBondContact O-CG 3.42Å; A556-R560 PolarHBondContact O-N 2.88Å; E557-R560 PolarHBondContact O-N 3.36Å; R560-Q563 PolarHBondContact O-N 2.93Å; R560-K564 WeakPolarHBondContact O-CB 3.34Å; R560-K564 PolarHBondContact O-N 2.83Å
561Q94Very high85.1Confident93 Ų93108.4 Ų108.444%0.43553%0.53SS..Hα-helixtrans-67.2-38.6178.1-72.3-178.91600111.5E557 L558 K564 I565E557-Q561 WeakPolarHBondContact O-CB 3.29Å; E557-Q561 VanDerWaalsContact O-CG 3.29Å; E557-Q561 WeakPolarHBondContact O-CG 3.34Å; E557-Q561 PolarHBondContact O-N 3.43Å; E557-Q561 PolarHBondContact OE1-NE2 3.01Å; L558-Q561 PolarHBondContact O-N 3.48Å; Q561-K564 WeakPolarHBondContact O-CB 3.29Å; Q561-K564 PolarHBondContact O-N 3.29Å; Q561-I565 VanDerWaalsContact O-CG1 3.29Å; Q561-I565 WeakPolarHBondContact O-CG1 3.42Å; Q561-I565 PolarHBondContact O-N 2.85Å
562L93.7Very high86.4Confident88 Ų88111.6 Ų111.646%0.46153%0.527SS..Hα-helixtrans-62.6-47.7174.7-173.575.1000111.3L558 D559 K564 I565 Q566L558-L562 VanDerWaalsContact O-CB 3.24Å; L558-L562 WeakPolarHBondContact O-CB 3.24Å; L558-L562 PolarHBondContact O-N 3.42Å; D559-L562 PolarHBondContact O-N 2.98Å; L562-K564 VanDerWaalsContact C-N 3.29Å; L562-K564 PolarHBondContact O-N 2.97Å; L562-I565 PolarHBondContact O-N 2.69Å; L562-Q566 WeakPolarHBondContact O-CB 3.49Å; L562-Q566 WeakPolarHBondContact O-CG 3.36Å; L562-Q566 PolarHBondContact O-N 3.2Å
563Q95Very high87.6Confident111 Ų111109 Ų10952%0.51952%0.516SS..Hα-helixtrans-59.1-40.8174.8-73.2175.610.600111.5D559 R560 Q566 S567D559-Q563 WeakPolarHBondContact O-CG 3.49Å; D559-Q563 PolarHBondContact O-N 3.49Å; R560-Q563 PolarHBondContact O-N 2.93Å; Q563-Q566 PolarHBondContact O-N 2.87Å; Q563-S567 PolarHBondContact O-N 3.39Å
564K94.1Very high88.2Confident145 Ų145110 Ų11063%0.6352%0.517SS*.Hα-helixtrans-63.1-45.1175.4-168172.4-175.4176.40111.7R560 Q561 L562 S567 I568R560-K564 WeakPolarHBondContact O-CB 3.34Å; R560-K564 PolarHBondContact O-N 2.83Å; Q561-K564 WeakPolarHBondContact O-CB 3.29Å; Q561-K564 PolarHBondContact O-N 3.29Å; L562-K564 VanDerWaalsContact C-N 3.29Å; L562-K564 PolarHBondContact O-N 2.97Å; K564-S567 PolarHBondContact O-N 3.31Å; K564-S567 PolarHBondContact O-OG 2.88Å; K564-I568 HydrophobicContact CG-CD1 4.38Å; K564-I568 WeakPolarHBondContact O-CG1 3.36Å; K564-I568 PolarHBondContact O-N 3.42Å; K564-I568 VanDerWaalsContact O-N 3.08Å
565I91Very high88Confident93 Ų93111 Ų11148%0.47753%0.525SS..Hα-helixtrans-63.8-43.6176.9-69.3165.3000110.8Q561 L562 S567 I568 I569Q561-I565 VanDerWaalsContact O-CG1 3.29Å; Q561-I565 WeakPolarHBondContact O-CG1 3.42Å; Q561-I565 PolarHBondContact O-N 2.85Å; L562-I565 PolarHBondContact O-N 2.69Å; I565-S567 VanDerWaalsContact C-N 3.32Å; I565-S567 PolarHBondContact O-N 3.46Å; I565-I568 PolarHBondContact O-N 2.96Å; I565-I568 VanDerWaalsContact O-N 3.15Å; I565-I569 HydrophobicContact CG2-CD1 3.72Å; I565-I569 HydrophobicContact CG2-CG1 4.31Å; I565-I569 WeakPolarHBondContact O-CG1 3.38Å; I565-I569 PolarHBondContact O-N 2.88Å
566Q93.8Very high87.2Confident105 Ų105106.5 Ų106.549%0.49152%0.517SS..Hα-helixtrans-59.5-41.9175.9-74.6176.5-14.200111.9L562 Q563 I568 I569 Q570L562-Q566 WeakPolarHBondContact O-CB 3.49Å; L562-Q566 WeakPolarHBondContact O-CG 3.36Å; L562-Q566 PolarHBondContact O-N 3.2Å; Q563-Q566 PolarHBondContact O-N 2.87Å; Q566-I568 VanDerWaalsContact C-N 3.35Å; Q566-I568 PolarHBondContact O-N 3.08Å; Q566-I569 PolarHBondContact O-N 3.41Å; Q566-Q570 WeakPolarHBondContact O-CG 3.43Å; Q566-Q570 PolarHBondContact O-N 3.33Å
567S92.2Very high86.4Confident48 Ų48110.8 Ų110.834%0.33653%0.529SS..Hα-helixtrans-63.8-37.7175.4780000112.8Q563 K564 I565 K571Q563-S567 PolarHBondContact O-N 3.39Å; K564-S567 PolarHBondContact O-N 3.31Å; K564-S567 PolarHBondContact O-OG 2.88Å; I565-S567 VanDerWaalsContact C-N 3.32Å; I565-S567 PolarHBondContact O-N 3.46Å; S567-K571 WeakPolarHBondContact O-CB 3.41Å; S567-K571 WeakPolarHBondContact O-CG 3.34Å; S567-K571 PolarHBondContact O-N 2.87Å
568I89.8Confident85.2Confident70 Ų70113.6 Ų113.636%0.35955%0.547SS..Hα-helixtrans-69.6-39.9176.7-67.7167000110.4K564 I565 Q566 K571 R572K564-I568 HydrophobicContact CG-CD1 4.38Å; K564-I568 WeakPolarHBondContact O-CG1 3.36Å; K564-I568 PolarHBondContact O-N 3.42Å; K564-I568 VanDerWaalsContact O-N 3.08Å; I565-I568 PolarHBondContact O-N 2.96Å; I565-I568 VanDerWaalsContact O-N 3.15Å; Q566-I568 VanDerWaalsContact C-N 3.35Å; Q566-I568 PolarHBondContact O-N 3.08Å; I568-K571 PolarHBondContact O-N 3.15Å; I568-R572 WeakPolarHBondContact O-CB 3.38Å; I568-R572 WeakPolarHBondContact O-CG 3.45Å; I568-R572 PolarHBondContact O-N 3.46Å
569I88.2Confident83.5Confident102 Ų102112.5 Ų112.552%0.52355%0.549SS..Hα-helixtrans-65.2-43.8176-68.7169.4000110.5I565 Q566 R572 K573I565-I569 HydrophobicContact CG2-CD1 3.72Å; I565-I569 HydrophobicContact CG2-CG1 4.31Å; I565-I569 WeakPolarHBondContact O-CG1 3.38Å; I565-I569 PolarHBondContact O-N 2.88Å; Q566-I569 PolarHBondContact O-N 3.41Å; I569-R572 PolarHBondContact O-N 2.9Å; I569-K573 VanDerWaalsContact O-CB 3.26Å; I569-K573 WeakPolarHBondContact O-CB 3.36Å; I569-K573 PolarHBondContact O-N 2.77Å
570Q88.7Confident81.3Confident128 Ų128110.9 Ų110.960%0.59855%0.552SS**Hα-helixtrans-62-45.4175.2-76.3177.8-16.100111.9Q566 R572 K573 Q574Q566-Q570 WeakPolarHBondContact O-CG 3.43Å; Q566-Q570 PolarHBondContact O-N 3.33Å; Q570-R572 PolarHBondContact O-N 3.26Å; Q570-K573 PolarHBondContact O-N 3.47Å; Q570-Q574 WeakPolarHBondContact O-CG 3.27Å; Q570-Q574 PolarHBondContact O-N 3.48Å
571K89.6Confident79Confident138 Ų138108.5 Ų108.560%0.656%0.559SS**Hα-helixtrans-60.4-43.4174.4-77.9-177.5179.6-176.20112.2S567 I568 L575S567-K571 WeakPolarHBondContact O-CB 3.41Å; S567-K571 WeakPolarHBondContact O-CG 3.34Å; S567-K571 PolarHBondContact O-N 2.87Å; I568-K571 PolarHBondContact O-N 3.15Å; K571-L575 WeakPolarHBondContact O-CB 3.33Å; K571-L575 WeakPolarHBondContact O-CD1 3.07Å; K571-L575 VanDerWaalsContact O-CG 3.27Å; K571-L575 WeakPolarHBondContact O-CG 3.16Å; K571-L575 PolarHBondContact O-N 3.35Å
572R85.7Confident76.7Confident179 Ų179110.6 Ų110.668%0.67558%0.577SS**Hα-helixtrans-68.9-34.1176.7-78.9-176.2172.7153.6-1.1112.7I568 I569 Q570 L575 A576I568-R572 WeakPolarHBondContact O-CB 3.38Å; I568-R572 WeakPolarHBondContact O-CG 3.45Å; I568-R572 PolarHBondContact O-N 3.46Å; I569-R572 PolarHBondContact O-N 2.9Å; Q570-R572 PolarHBondContact O-N 3.26Å; R572-L575 PolarHBondContact O-N 2.83Å; R572-A576 WeakPolarHBondContact O-CB 3.42Å; R572-A576 PolarHBondContact O-N 2.82Å
573K84.6Confident74.1Confident127 Ų127113.2 Ų113.255%0.55259%0.591SS**Hα-helixtrans-69.2-42.1176-171.8-179.9170.9-172.50111I569 Q570 A576 E577I569-K573 VanDerWaalsContact O-CB 3.26Å; I569-K573 WeakPolarHBondContact O-CB 3.36Å; I569-K573 PolarHBondContact O-N 2.77Å; Q570-K573 PolarHBondContact O-N 3.47Å; K573-A576 PolarHBondContact O-N 3.33Å; K573-E577 WeakPolarHBondContact CE-OE1 3.26Å; K573-E577 IonicContact NZ-OE1 2.82Å; K573-E577 WeakPolarHBondContact O-CB 3.44Å; K573-E577 PolarHBondContact O-N 3.32Å
574Q78.2Confident71.7Confident123 Ų123113.1 Ų113.158%0.57560%0.602SS**Hα-helixtrans-60.8-46.1171.7-71.8171.93.500111.1Q570 A576 E577 D578Q570-Q574 WeakPolarHBondContact O-CG 3.27Å; Q570-Q574 PolarHBondContact O-N 3.48Å; Q574-A576 VanDerWaalsContact C-N 3.29Å; Q574-A576 PolarHBondContact O-N 2.97Å; Q574-E577 PolarHBondContact O-N 2.98Å; Q574-D578 PolarHBondContact O-N 3.31Å
575L71.5Confident68.9Low121 Ų121116.8 Ų116.863%0.63461%0.614SS**Hα-helixtrans-65.6-28.1175.6-73.4163.3000113.6K571 R572 S579K571-L575 WeakPolarHBondContact O-CB 3.33Å; K571-L575 WeakPolarHBondContact O-CD1 3.07Å; K571-L575 VanDerWaalsContact O-CG 3.27Å; K571-L575 WeakPolarHBondContact O-CG 3.16Å; K571-L575 PolarHBondContact O-N 3.35Å; R572-L575 PolarHBondContact O-N 2.83Å; L575-S579 WeakPolarHBondContact O-CB 3.4Å; L575-S579 PolarHBondContact O-N 3.23Å
576A65.1Low66.5Low62 Ų62117.7 Ų117.751%0.51263%0.628SS.*Hα-helixtrans-84.5-26.5176.700000113R572 K573 Q574 S579R572-A576 WeakPolarHBondContact O-CB 3.42Å; R572-A576 PolarHBondContact O-N 2.82Å; K573-A576 PolarHBondContact O-N 3.33Å; Q574-A576 VanDerWaalsContact C-N 3.29Å; Q574-A576 PolarHBondContact O-N 2.97Å; A576-S579 CarbonylContact O-C 3.59Å
577E63.5Low64Low137 Ų137122.6 Ų122.664%0.6464%0.642SS**Hα-helixtrans-77.2-31.3171.6-78.2-179.4-178.800111.5K573 Q574 S579K573-E577 WeakPolarHBondContact CE-OE1 3.26Å; K573-E577 IonicContact NZ-OE1 2.82Å; K573-E577 WeakPolarHBondContact O-CB 3.44Å; K573-E577 PolarHBondContact O-N 3.32Å; Q574-E577 PolarHBondContact O-N 2.98Å; E577-S579 VanDerWaalsContact C-N 3.31Å
578D59.3Low61.6Low147 Ų147130 Ų13079%0.78666%0.664SS**SBendtrans-78.4-13.5171.8-75-20.7000113.5Q574Q574-D578 PolarHBondContact O-N 3.31Å
579S53Low59.2Low90 Ų90131.9 Ų131.963%0.62968%0.683SS**SBendtrans-122.872.8177.6-169.60000110.3L575 A576 E577L575-S579 WeakPolarHBondContact O-CB 3.4Å; L575-S579 PolarHBondContact O-N 3.23Å; A576-S579 CarbonylContact O-C 3.59Å; E577-S579 VanDerWaalsContact C-N 3.31Å
580G45.8Very low57Low49 Ų49132 Ų13251%0.50569%0.693SS.*  trans-53163178.900000115.4V582G580-V582 PolarHBondContact O-N 3.5Å
581P41.8Very low54.8Low123 Ų123136.9 Ų136.980%0.79971%0.706SS**  trans-79124.4-150.531.9-33.7000112.3
582V45.7Very low52.6Low136 Ų136137.3 Ų137.382%0.82471%0.714SS**  trans-120.294.1162.7-169.70000109G580G580-V582 PolarHBondContact O-N 3.5Å
583I39.7Very low50.9Low144 Ų144135 Ų13574%0.73872%0.722SS**  trans-70.6119.8163.1-66160.8000107.2Y585I583-Y585 HydrophobicContact CG2-CD2 4.21Å; I583-Y585 HydrophobicContact CG2-CE2 4.43Å
584S44.1Very low49.1Very low108 Ų108135.7 Ų135.776%0.75573%0.73SS**  trans-145.2112.7156.268.80000111.5
585Y35.2Very low48.1Very low223 Ų223141.9 Ų141.988%0.87575%0.748SS**  trans-85.8124165.6-77.4-95.8000108.7I583I583-Y585 HydrophobicContact CG2-CD2 4.21Å; I583-Y585 HydrophobicContact CG2-CE2 4.43Å
586S42.1Very low47.2Very low111 Ų111140.7 Ų140.778%0.77675%0.75SS**  trans-170.2102.8153.2-160.50000109.9
587R39.9Very low47.1Very low209 Ų209144.3 Ų144.379%0.78977%0.766SS**  63.7114.778.8-91.9-159.4-92.4-168.9-4.6116.3
588Y41.2Very low46.4Very low204 Ų204152.6 Ų152.680%0.879%0.791SS**  trans74.5119.7148.6-67-70.7000122.6
589S39.4Very low45.8Very low108 Ų108152.9 Ų152.976%0.75579%0.791SS**  72.5110.9125.1-167.10000120
590S42.8Very low45.4Very low104 Ų104156.2 Ų156.273%0.72780%0.8SS**  167.1126.2104.650.10000115
591R42.7Very low45.4Very low232 Ų232162.2 Ų162.288%0.87582%0.816SS**  trans59.4105.6135.7-63.3-179-178.2-170.90.2122.9
592L44.1Very low45.6Very low147 Ų147164.5 Ų164.577%0.7782%0.817SS**  26.9151121.6-62176.7000121.3
593P49.8Very low45.6Very low131 Ų131166.3 Ų166.385%0.85182%0.817SS**  -135.1153.386.331-14000116
594I46.2Very low46Very low141 Ų141167.7 Ų167.772%0.72382%0.822SS**  trans-64.6143.9175.4-68.7150.2000111.9
595R57.7Low46.1Very low252 Ų252172 Ų17295%0.95183%0.827SS**  trans-138.3109.2152.3-129.3177.4-175179.91.1110
596S51Low47Very low96 Ų96168.1 Ų168.167%0.67182%0.823SS**  trans-67.5143.6168.2158.20000110.7
597V63Low47.4Very low138 Ų138172.8 Ų172.884%0.83683%0.827SS**  -158.9117.5129.4177.50000109.7
598R50.7Low48.1Very low312 Ų312169.5 Ų169.5100%1.17783%0.831SS**  trans65.70165.2-111.8176.8-172.11672.1121.5

Retrieved 598 of 598 residues in 332.6 ms (Link to these results)