A0A3Q0KBQ4_SCHMA Loading...

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

AlphaFold DB (G4LXH6), UniProt , Accession A0A3Q0KBQ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 588 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M42Very low50Low231 Ų231153.1 Ų153.1100%1.13884%0.844SS**  084.30-76.3-179.717300105.7
2T41.6Very low50.5Low130 Ų130153.9 Ų153.980%0.79885%0.845SS**  trans-149.436.9-158.331.10000109.4
3D46.9Very low51.4Low132 Ų132148.3 Ų148.371%0.70683%0.832SS**  trans-134.961.4-161.7-47.1-75.1000109.4
4F51.3Low52.2Low213 Ų213145.8 Ų145.893%0.93483%0.825SS**  trans-155.457.4175.2-100-69.1000111.9
5I52Low52.6Low179 Ų179147.2 Ų147.292%0.91883%0.829SS**  trans-137.780164.1-53179.9000107.5
6E50.3Low52.4Low188 Ų188145.8 Ų145.888%0.87983%0.825SS**  trans-120.6116178.9-159.8163.6-141.600111.1
7A48.8Very low51.9Low82 Ų82147.4 Ų147.468%0.67882%0.821SS**  trans3486.8157.400000119.7S9A7-S9 VanDerWaalsContact C-N 3.29Å; A7-S9 PolarHBondContact O-N 2.97Å
8V46.1Very low51.9Low157 Ų157146.3 Ų146.395%0.95282%0.818SS**  trans-85.775.6149.4-1730000108.8
9S47.1Very low51Low94 Ų94142.4 Ų142.466%0.65781%0.814SS**PPolyproline II helixtrans-98.2135.4168.5560000109.9A7A7-S9 VanDerWaalsContact C-N 3.29Å; A7-S9 PolarHBondContact O-N 2.97Å
10N61.4Low50.8Low153 Ų153142.2 Ų142.282%0.81881%0.805SS**PPolyproline II helixtrans-50.1142.5177-79.9-8.2000111.8L12N10-L12 PolarHBondContact O-N 2.9Å
11P62.6Low50.4Low125 Ų125138 Ų13881%0.81279%0.794SS**PPolyproline II helixtrans-61.3134.4-178.425.8-34.3000111
12L55.5Low50.5Low163 Ų163134.4 Ų134.485%0.85378%0.779SS**PPolyproline II helixtrans-64.7136.3175.4-164.370.5000109.5N10N10-L12 PolarHBondContact O-N 2.9Å
13A62.8Low50.7Low81 Ų81136.4 Ų136.467%0.66978%0.777SS**PPolyproline II helixtrans-64.1144.3175.500000110.6
14P62.3Low50.9Low113 Ų113134.9 Ų134.973%0.73477%0.773SS**PPolyproline II helixtrans-68.3141.2-175.727.1-34.6000112.5V16P14-V16 PolarHBondContact O-N 3.12Å
15D57.8Low51.1Low167 Ų167132.7 Ų132.789%0.89377%0.771SS**SBendtrans-63.916.5-177.7-87.1-30.7000115.8
16V49.6Very low51.7Low125 Ų125131.9 Ų131.976%0.75876%0.763SS**  trans-119.755.6-171.4-160.20000111.4P14P14-V16 PolarHBondContact O-N 3.12Å
17F45.2Very low52.7Low173 Ų173132.4 Ų132.476%0.75976%0.762SS**  trans-112.799.5159-151.5-93.5000109.9G19F17-G19 PolarHBondContact O-N 3.13Å
18V51.9Low54.2Low128 Ų128133.6 Ų133.678%0.77676%0.757SS**  trans-59.6123.4174.7176.10000108.3H20V18-H20 PolarHBondContact O-N 2.78Å
19G34.2Very low56.1Low71 Ų71129.1 Ų129.173%0.73273%0.732SS**  trans-60.4106.4-168.400000113.8F17 G21F17-G19 PolarHBondContact O-N 3.13Å; G19-G21 PolarHBondContact O-N 2.81Å; G19-G21 VanDerWaalsContact O-N 3.15Å
20H47.1Very low57.7Low139 Ų139130.6 Ų130.664%0.64473%0.733SS**  trans-73.595.5155.2-83.9-66.5000108.4V18 F23V18-H20 PolarHBondContact O-N 2.78Å; H20-F23 HydrophobicContact CB-CE2 4.03Å
21G42.8Very low59Low55 Ų55126 Ų12657%0.56771%0.713SS**  trans-63137.3-178.700000112.9G19 F23G19-G21 PolarHBondContact O-N 2.81Å; G19-G21 VanDerWaalsContact O-N 3.15Å; G21-F23 PolarHBondContact O-N 3.31Å
22D42.9Very low60.2Low154 Ų154122.5 Ų122.582%0.82469%0.687SS**  trans34.559.6152.6-55-20.4000116.7T24D22-T24 PolarHBondContact O-N 2.85Å
23F45.9Very low61.6Low172 Ų172119.9 Ų119.975%0.75467%0.669SS**  trans-68.377.9158.5-72.9-65.1000109.8H20 G21H20-F23 HydrophobicContact CB-CE2 4.03Å; G21-F23 PolarHBondContact O-N 3.31Å
24T52.4Low62.9Low101 Ų101124.6 Ų124.662%0.6267%0.67SS**  trans-48143.5160.563.10000109D22 H26D22-T24 PolarHBondContact O-N 2.85Å; T24-H26 PolarHBondContact O-N 3.38Å
25N55.5Low64.1Low167 Ų167125.5 Ų125.589%0.89366%0.662SS**  trans-65.170.5-174.4-75-64.3000113.1K27N25-K27 PolarHBondContact O-N 3.09Å; N25-K27 VanDerWaalsContact O-N 3.14Å
26H63.6Low65.4Low162 Ų162123.3 Ų123.375%0.7565%0.649SS**  trans-74.1101.5173.9-111.563.6000108.6T24 L28T24-H26 PolarHBondContact O-N 3.38Å; H26-L28 PolarHBondContact O-N 2.88Å
27K70.7Confident67.1Low199 Ų199124 Ų12487%0.86565%0.648SS**  trans-59.1112170-63.3-173.6178.1-171.40108N25 S29N25-K27 PolarHBondContact O-N 3.09Å; N25-K27 VanDerWaalsContact O-N 3.14Å; K27-S29 PolarHBondContact O-N 3.43Å
28L81.3Confident69.1Low107 Ų107123.2 Ų123.256%0.5665%0.649SS**  trans-55.9125.7-177.9-71.2164.8000110.3H26 D32 F33H26-L28 PolarHBondContact O-N 2.88Å; L28-D32 HydrophobicContact CD2-CB 3.92Å; L28-F33 HydrophobicContact CB-CD2 4.28Å; L28-F33 HydrophobicContact CB-CE2 3.74Å; L28-F33 HydrophobicContact CB-CZ 4.14Å; L28-F33 HydrophobicContact CD1-CZ 4.41Å
29S84.8Confident70.4Confident63 Ų63121.3 Ų121.344%0.44164%0.637SS.*  trans-71.7156.6175.4172.20000110.7K27 S31 D32 F33K27-S29 PolarHBondContact O-N 3.43Å; S29-S31 WeakPolarHBondContact CB-OG 3.22Å; S29-S31 PolarHBondContact O-N 3.48Å; S29-S31 PolarHBondContact OG-N 2.77Å; S29-S31 PolarHBondContact OG-OG 3.34Å; S29-S31 VanDerWaalsContact OG-OG 3.07Å; S29-D32 PolarHBondContact O-N 2.87Å; S29-F33 WeakPolarHBondContact O-CD2 3.39Å; S29-F33 PolarHBondContact O-N 3.46Å
30N82.2Confident72.1Confident124 Ų124123.7 Ų123.766%0.66364%0.64SS**Hα-helixtrans-52.4-24169.4-84.3-12000113R34N30-R34 VanDerWaalsContact O-CG 3.32Å; N30-R34 WeakPolarHBondContact O-CG 3.2Å; N30-R34 PolarHBondContact O-N 3.48Å
31S88.2Confident73Confident57 Ų57126.6 Ų126.640%0.39965%0.651SS.*Hα-helixtrans-66.9-35.6171.655.20000113.7S29 K35S29-S31 WeakPolarHBondContact CB-OG 3.22Å; S29-S31 PolarHBondContact O-N 3.48Å; S29-S31 PolarHBondContact OG-N 2.77Å; S29-S31 PolarHBondContact OG-OG 3.34Å; S29-S31 VanDerWaalsContact OG-OG 3.07Å; S31-K35 WeakPolarHBondContact O-CG 3.41Å; S31-K35 PolarHBondContact O-N 3.32Å; S31-K35 VanDerWaalsContact O-N 3.13Å
32D87.1Confident73.9Confident52 Ų52129.7 Ų129.728%0.27866%0.661SS.*Hα-helixtrans-82.9-33.1-177.5-64.1-33.8000111.8L28 S29 R34 K35 L36L28-D32 HydrophobicContact CD2-CB 3.92Å; S29-D32 PolarHBondContact O-N 2.87Å; D32-R34 VanDerWaalsContact C-N 3.28Å; D32-R34 PolarHBondContact O-N 3.36Å; D32-K35 PolarHBondContact O-N 2.88Å; D32-K35 WeakPolarHBondContact OD1-CD 3.21Å; D32-K35 WeakPolarHBondContact OD1-CE 3.48Å; D32-K35 IonicContact OD1-NZ 2.67Å; D32-K35 PolarHBondContact OD1-NZ 3.48Å; D32-L36 WeakPolarHBondContact O-CB 3.46Å; D32-L36 PolarHBondContact O-N 2.8Å
33F84.4Confident74.1Confident107 Ų107127.5 Ų127.547%0.46966%0.658SS.*Hα-helixtrans-58.3-40.8166.1-75.3-74.2000111.9L28 S29 L36 L37L28-F33 HydrophobicContact CB-CD2 4.28Å; L28-F33 HydrophobicContact CB-CE2 3.74Å; L28-F33 HydrophobicContact CB-CZ 4.14Å; L28-F33 HydrophobicContact CD1-CZ 4.41Å; S29-F33 WeakPolarHBondContact O-CD2 3.39Å; S29-F33 PolarHBondContact O-N 3.46Å; F33-L36 PolarHBondContact O-N 2.92Å; F33-L37 WeakPolarHBondContact O-CG 3.3Å; F33-L37 PolarHBondContact O-N 3.45Å
34R90.9Very high74.4Confident181 Ų181125.8 Ų125.868%0.68366%0.661SS**Hα-helixtrans-63.5-41.4173.5-72.9173.5-175.1179.22.2112.3N30 D32 L37 M38N30-R34 VanDerWaalsContact O-CG 3.32Å; N30-R34 WeakPolarHBondContact O-CG 3.2Å; N30-R34 PolarHBondContact O-N 3.48Å; D32-R34 VanDerWaalsContact C-N 3.28Å; D32-R34 PolarHBondContact O-N 3.36Å; R34-L37 PolarHBondContact O-N 3.34Å; R34-M38 WeakPolarHBondContact O-CB 3.21Å; R34-M38 WeakPolarHBondContact O-CG 3.17Å; R34-M38 PolarHBondContact O-N 3.46Å; R34-M38 VanDerWaalsContact O-N 3.16Å
35K88.6Confident73.9Confident131 Ų131129.2 Ų129.257%0.5767%0.67SS**Hα-helixtrans-61.1-46.4174.1-68.5171.2-165.7160.80111.4S31 D32 L37 M38 T39S31-K35 WeakPolarHBondContact O-CG 3.41Å; S31-K35 PolarHBondContact O-N 3.32Å; S31-K35 VanDerWaalsContact O-N 3.13Å; D32-K35 PolarHBondContact O-N 2.88Å; D32-K35 WeakPolarHBondContact OD1-CD 3.21Å; D32-K35 WeakPolarHBondContact OD1-CE 3.48Å; D32-K35 IonicContact OD1-NZ 2.67Å; D32-K35 PolarHBondContact OD1-NZ 3.48Å; K35-L37 VanDerWaalsContact C-N 3.3Å; K35-L37 PolarHBondContact O-N 3.3Å; K35-M38 CarbonylContact O-C 3.58Å; K35-M38 PolarHBondContact O-N 3.1Å; K35-T39 PolarHBondContact O-N 3.17Å; K35-T39 PolarHBondContact O-OG1 3.06Å
36L84.2Confident73.3Confident121 Ų121126.5 Ų126.563%0.63466%0.662SS**Hα-helixtrans-66.4-30.6-177-167.6144.1000112.9D32 F33 T39D32-L36 WeakPolarHBondContact O-CB 3.46Å; D32-L36 PolarHBondContact O-N 2.8Å; F33-L36 PolarHBondContact O-N 2.92Å; L36-T39 WeakPolarHBondContact CA-OG1 3.38Å; L36-T39 PolarHBondContact O-OG1 3Å
37L86Confident72Confident139 Ų139124.5 Ų124.573%0.72867%0.666SS**Hα-helixtrans-74.4-25.7170.3-74.1167.4000113.6F33 R34 K35F33-L37 WeakPolarHBondContact O-CG 3.3Å; F33-L37 PolarHBondContact O-N 3.45Å; R34-L37 PolarHBondContact O-N 3.34Å; K35-L37 VanDerWaalsContact C-N 3.3Å; K35-L37 PolarHBondContact O-N 3.3Å
38M85.7Confident70.6Confident158 Ų158124.3 Ų124.378%0.77867%0.665SS**Hα-helixtrans-93-16.1-179.3-66-68.9149.300113.3R34 K35 P40R34-M38 WeakPolarHBondContact O-CB 3.21Å; R34-M38 WeakPolarHBondContact O-CG 3.17Å; R34-M38 PolarHBondContact O-N 3.46Å; R34-M38 VanDerWaalsContact O-N 3.16Å; K35-M38 CarbonylContact O-C 3.58Å; K35-M38 PolarHBondContact O-N 3.1Å; M38-P40 WeakPolarHBondContact O-CD 3.44Å
39T79.6Confident68.6Low87 Ų87124.7 Ų124.753%0.53467%0.672SS.*SBendtrans-74.6116.1170.544.30000110.3K35 L36 K41K35-T39 PolarHBondContact O-N 3.17Å; K35-T39 PolarHBondContact O-OG1 3.06Å; L36-T39 WeakPolarHBondContact CA-OG1 3.38Å; L36-T39 PolarHBondContact O-OG1 3Å; T39-K41 PolarHBondContact O-N 2.76Å
40P71.3Confident66.5Low121 Ų121128.3 Ų128.379%0.78669%0.686SS**PPolyproline II helixtrans-64.2128.9177.726.2-33.2000110.2M38M38-P40 WeakPolarHBondContact O-CD 3.44Å
41K64.3Low64.6Low201 Ų201131 Ų13187%0.87470%0.695SS**PPolyproline II helixtrans-56.9132175.9-89-178.6170.21780110.2T39 S43T39-K41 PolarHBondContact O-N 2.76Å; K41-S43 PolarHBondContact O-N 2.88Å
42P61.8Low62.5Low120 Ų120134 Ų13478%0.77971%0.71SS**PPolyproline II helixtrans-63.2125.6168.526.6-32.4000109.3V44P42-V44 PolarHBondContact O-N 2.98Å
43S48.5Very low60.3Low108 Ų108138.9 Ų138.976%0.75573%0.731SS**  trans-67.5115.5176-1790000109.9K41 Q45K41-S43 PolarHBondContact O-N 2.88Å; S43-Q45 PolarHBondContact O-N 3.04Å
44V50.6Low58.3Low136 Ų136140.7 Ų140.782%0.82474%0.741SS**  trans-70108.6169178.40000107.4P42P42-V44 PolarHBondContact O-N 2.98Å
45Q43.5Very low55.7Low172 Ų172138.5 Ų138.580%0.80475%0.748SS**PPolyproline II helixtrans-73131.8176-71-169.5-22.200110.5S43S43-Q45 PolarHBondContact O-N 3.04Å
46P41.8Very low53.3Low111 Ų111136 Ų13672%0.72176%0.76SS**PPolyproline II helixtrans-74.8141.5170.931.1-33.2000110.5K48P46-K48 PolarHBondContact O-N 3.15Å
47S36.4Very low51.1Low119 Ų119135.8 Ų135.883%0.83276%0.763SS**PPolyproline II helixtrans-56.5130.1170.842.90000111.6
48K41.6Very low48.6Very low195 Ų195139.7 Ų139.785%0.84877%0.768SS**  trans-140.1135160.6-72.2-163.5175.3-172.40110.7P46P46-K48 PolarHBondContact O-N 3.15Å
49T39Very low46.5Very low115 Ų115140.4 Ų140.471%0.70677%0.773SS**  trans-77.8169.416751.40000110.6
50D40Very low44.6Very low140 Ų140141 Ų14175%0.74978%0.782SS**  trans84.9121.2154.6-51.4-40.4000120.6
51E42.8Very low43.3Very low181 Ų181141 Ų14185%0.84678%0.78SS**  trans71.6105.9147.5-59.6-165.7165.400123.1
52V44.2Very low42.2Very low118 Ų118139 Ų13972%0.71577%0.773SS**  trans12144.1136.8-139.60000121.3
53H41.5Very low41Very low155 Ų155140.9 Ų140.972%0.71877%0.771SS**  trans73.3147.8164.3-67.1-75.7000118
54E41.2Very low40.8Very low145 Ų145140.6 Ų140.668%0.67876%0.76SS**  cis-168.4151-34.7-143.9-177.7152.400108.6
55T37.7Very low40.2Very low136 Ų136141.8 Ų141.883%0.83476%0.757SS**  trans63.3140.4165.472.40000118.7
56G37.4Very low40.2Very low79 Ų79145 Ų14581%0.81476%0.761SS**  trans166.652.2-179.300000115
57T37.6Very low40.2Very low115 Ų115144.5 Ų144.571%0.70676%0.761SS**  trans-54.6135.7-173.334.40000117.2
58R34.6Very low40.4Very low222 Ų222145.7 Ų145.784%0.83876%0.758SS**  trans58.7131.1132.1-58.5168.4-176.8175.31119.4
59I42Very low40.7Very low172 Ų172148.6 Ų148.688%0.88276%0.763SS**  -148.6138.4122.1-94.5137000108.8
60S38.9Very low40.8Very low101 Ų101150.4 Ų150.471%0.70677%0.767SS**  trans-107.2151.4174.3161.90000108.5
61T43.6Very low41.1Very low121 Ų121153.7 Ų153.774%0.74277%0.769SS**  trans-171.7129.8139.223.10000113
62H41.3Very low41.3Very low158 Ų158152.1 Ų152.173%0.73176%0.762SS**  trans41.7137.6138.2-75.2-105.8000120.5
63H36.6Very low41.1Very low159 Ų159154.1 Ų154.174%0.73677%0.769SS**  -169.5124.466178.5-84.8000114.7
64L44.8Very low41Very low102 Ų102151.5 Ų151.553%0.53477%0.765SS.*  trans28.7127.5151.2-73.772.4000122.7
65E38.5Very low41.1Very low162 Ų162149.6 Ų149.676%0.75777%0.768SS**  36127.4119.5-54.8-169.8148.200121
66R42Very low41.6Very low238 Ų238152.4 Ų152.490%0.89877%0.772SS**  -171.8140.896.9-103.3173.3174.9172.7-2.6113.8
67S42.3Very low41.7Very low101 Ų101154.6 Ų154.671%0.70677%0.769SS**  trans-87.4176.8178.8-51.40000113.2
68D42.1Very low42.1Very low144 Ų144155.4 Ų155.477%0.7778%0.775SS**  trans75.6108.4153-53.3-35000119.8
69R46.1Very low42.6Very low256 Ų256153 Ų15397%0.96677%0.772SS**  trans-152.985.1134.4-107.1166.9-145.5-148.24.7111.3
70I42.3Very low42.6Very low154 Ų154155.7 Ų155.779%0.7977%0.771SS**  trans-89.2155.3156.9-67.2172.2000107.9
71R45.1Very low42.8Very low208 Ų208155 Ų15579%0.78577%0.767SS**  trans107.5140.2173.3-64.7175.3173.7-133.76.1113
72Q46.6Very low42.9Very low148 Ų148157.6 Ų157.669%0.69277%0.768SS**  cis-162143.8-7.8-118.4162.3-42.900106.6
73D40.9Very low43Very low160 Ų160157.6 Ų157.686%0.85677%0.768SS**  172.5124.3110.6-156.714.5000111.9
74P39.9Very low43.2Very low100 Ų100158.2 Ų158.265%0.64977%0.768SS**  trans-116.2137.5176.537.6-26.7000114.6
75S43.3Very low43.1Very low105 Ų105160.5 Ų160.573%0.73478%0.779SS**  trans43.4105.5146.163.10000120.3
76Q47.4Very low43.1Very low196 Ų196156.7 Ų156.792%0.91677%0.77SS**  trans26.9113.2130.1-59-176.932.700119.2
77T39.6Very low43.2Very low124 Ų124152.5 Ų152.576%0.76176%0.761SS**  trans-142.4128.8144.257.50000111.1
78T47.3Very low43.2Very low133 Ų133155.4 Ų155.482%0.81676%0.761SS**  trans-158.6109.8142.545.40000110.5
79H44.1Very low43.2Very low170 Ų170158.7 Ų158.779%0.78776%0.762SS**  trans-15.8149.5155.3-35.8-79.6000116.4
80R41.1Very low42.9Very low229 Ų229154.2 Ų154.286%0.86475%0.752SS**  173.311960.3176.2166.1155.8-165.5-7.5114.1
81S44.8Very low42.9Very low87 Ų87154.6 Ų154.661%0.60875%0.75SS**  trans50.9122.2143.481.40000124.7
82K45.9Very low42.8Very low176 Ų176149.8 Ų149.877%0.76574%0.744SS**  92.3130.8119.9-81.8176.4-176.1-177.90122.7
83H42.8Very low42.7Very low158 Ų158153.5 Ų153.573%0.73175%0.751SS**  trans67.7147.5157-63.4-58.3000118.1
84K41.2Very low42.9Very low172 Ų172150.9 Ų150.975%0.74875%0.746SS**  cis163.6154.3-23.5-119.7-164.7-179.5-174.40104.2
85I42.5Very low43Very low149 Ų149155.6 Ų155.676%0.76476%0.756SS**  trans71.4109167.7-54.9142.4000112.8
86S37.8Very low43Very low82 Ų82158.5 Ų158.557%0.57376%0.755SS**  cis99.1140.940.5830000115.2
87H43.1Very low42.8Very low150 Ų150155.2 Ų155.269%0.69474%0.744SS**  trans87.6110157.8-57.9-40.7000122.7
88K42.4Very low42.9Very low163 Ų163154.7 Ų154.771%0.70974%0.741SS**  86.3145.3113.1-76.9178.2177170.30121.5
89R43.7Very low42.8Very low212 Ų212155.6 Ų155.680%0.874%0.736SS**  trans80121153.5-74159.2172.9-169.2-5.3115.6
90H38.8Very low42.9Very low162 Ų162156.2 Ų156.275%0.7574%0.736SS**  91.8144.851.7-94.4-78.9000112.8
91H43.5Very low43Very low163 Ų163150.1 Ų150.176%0.75573%0.727SS**  trans84.8144.8168.8-62.9-63.2000116.7
92V42.2Very low42.8Very low106 Ų106152.9 Ų152.964%0.64273%0.734SS**  cis156.7157.7-19.4133.90000106
93R43.8Very low42.4Very low226 Ų226152.5 Ų152.585%0.85374%0.739SS**  trans78.8146.9177.2-68.7149.2174.3-147.5-4.9114.9
94S44.8Very low42.2Very low106 Ų106149.3 Ų149.374%0.74173%0.734SS**  cis-164.7165.4-15.9-1040000110.7
95K43.3Very low42.4Very low198 Ų198151.2 Ų151.286%0.86175%0.746SS**  trans-47155.7156.8-56.5175.9177.3-178.80109.6
96K43.6Very low42.4Very low167 Ų167149 Ų14973%0.72674%0.743SS**  178.6142.952.9-164.1-172.6168.2-109.90108.1
97D42.1Very low42.8Very low126 Ų126150 Ų15067%0.67475%0.747SS**  168.4156.4110.6-97.5-48.7000112.4
98T42.5Very low42.7Very low114 Ų114151.4 Ų151.470%0.69975%0.753SS**  trans-103.3145.2-167.947.70000111.5
99Q45.8Very low43.3Very low151 Ų151155.2 Ų155.271%0.70676%0.763SS**  163.7137.4112.4-90-174.845.600114.3
100K44.4Very low44.2Very low183 Ų183156.1 Ų156.180%0.79677%0.768SS**  trans82.8152.8148.1-72.5173.1-179.1-179.50119.8
101P44Very low46Very low102 Ų102155.9 Ų155.966%0.66276%0.761SS**  trans-124.8-175.4-147.342.3-25.9000114.6
102D40.2Very low47.6Very low144 Ų144152.5 Ų152.577%0.7775%0.748SS**  trans71.7145.5166.4-53.2-32.3000117.6
103I38.5Very low49.4Very low168 Ų168155.1 Ų155.186%0.86275%0.746SS**  trans76.579.9-176.2-46.8162.1000114.5
104S38.7Very low51Low91 Ų91147.3 Ų147.364%0.63673%0.73SS**  trans-178.648.4154.140.70000116S106S104-S106 PolarHBondContact O-N 2.75Å
105E44.8Very low52.7Low212 Ų212147.8 Ų147.899%0.99172%0.719SS**THydrogen-bonded Turntrans-78.354.8164.6-73.5-157.5132.700112.3
106S43.2Very low54.2Low102 Ų102140.7 Ų140.771%0.71369%0.688SS**THydrogen-bonded Turntrans-154.128.5179.961.90000115S104S104-S106 PolarHBondContact O-N 2.75Å
107T46.6Very low56Low104 Ų104140.7 Ų140.764%0.63868%0.684SS**SBendtrans-135.7103.1172.556.80000113.8
108H41Very low57.8Low180 Ų180144.9 Ų144.983%0.83369%0.69SS**  trans29.692.9151.4-58.2-72.6000118.8
109R54.2Low59.5Low243 Ų243143.9 Ų143.992%0.91768%0.681SS**  trans-79.7130.2157.1-68.6-110.6-86.6-100.2-2.6109.4R111R109-R111 PolarHBondContact O-N 3.25Å
110Y62.3Low60.3Low231 Ų231139.7 Ų139.791%0.90668%0.678SS**  trans-59.7133-179.9-74.1-93.7000111.9D112Y110-D112 PolarHBondContact O-N 3.09Å
111R77.2Confident61.3Low157 Ų157138 Ų13859%0.59267%0.67SS**  trans-68.4116177.9-177170.9165.1143.25.9110.6R109 R113 E116R109-R111 PolarHBondContact O-N 3.25Å; R111-R113 PolarHBondContact O-N 3.17Å; R111-E116 WeakPolarHBondContact CD-OE1 3.45Å; R111-E116 WeakPolarHBondContact CG-OE1 3.32Å; R111-E116 IonicContact CZ-OE1 3.29Å; R111-E116 VanDerWaalsContact CZ-OE1 3.29Å; R111-E116 IonicContact CZ-OE2 3.27Å; R111-E116 VanDerWaalsContact CZ-OE2 3.27Å; R111-E116 IonicContact NE-OE1 2.84Å; R111-E116 PolarHBondContact NE-OE1 2.84Å; R111-E116 IonicContact NE-OE2 2.84Å; R111-E116 PolarHBondContact NE-OE2 3.14Å; R111-E116 VanDerWaalsContact NH2-CD 3.28Å; R111-E116 IonicContact NH2-OE1 2.68Å; R111-E116 PolarHBondContact NH2-OE1 2.72Å; R111-E116 IonicContact NH2-OE2 2.82Å; R111-E116 PolarHBondContact NH2-OE2 3.13Å
112D75.9Confident61.6Low91 Ų91139.9 Ų139.949%0.48767%0.674SS.*  trans-74.586.1-177.6-173.9-6.4000111.9Y110 A114 K115 E116Y110-D112 PolarHBondContact O-N 3.09Å; D112-A114 PolarHBondContact O-N 3.31Å; D112-A114 VanDerWaalsContact O-N 3.17Å; D112-A114 WeakPolarHBondContact OD1-CA 3.49Å; D112-A114 VanDerWaalsContact OD1-CB 3.31Å; D112-A114 WeakPolarHBondContact OD1-CB 3.3Å; D112-A114 PolarHBondContact OD1-N 3.21Å; D112-K115 HydrophobicContact CB-CB 4Å; D112-K115 PolarHBondContact O-N 3.32Å; D112-K115 VanDerWaalsContact O-N 3.15Å; D112-K115 PolarHBondContact OD1-N 3.43Å; D112-K115 WeakPolarHBondContact OD2-CB 3.41Å; D112-E116 PolarHBondContact O-N 2.93Å
113R80.6Confident62.2Low162 Ų162137.8 Ų137.861%0.61167%0.667SS**Hα-helixtrans-65-11.9175.8-163174.3-70.4-148.9-1.3113.4R111 R117R111-R113 PolarHBondContact O-N 3.17Å; R113-R117 WeakPolarHBondContact O-CD 3.14Å; R113-R117 VanDerWaalsContact O-CG 3.27Å; R113-R117 WeakPolarHBondContact O-CG 3.41Å; R113-R117 PolarHBondContact O-N 2.87Å
114A77.3Confident62.7Low61 Ų61134 Ų13450%0.50466%0.66SS.*Hα-helixtrans-85-36.4172.600000111.5D112 R118D112-A114 PolarHBondContact O-N 3.31Å; D112-A114 VanDerWaalsContact O-N 3.17Å; D112-A114 WeakPolarHBondContact OD1-CA 3.49Å; D112-A114 VanDerWaalsContact OD1-CB 3.31Å; D112-A114 WeakPolarHBondContact OD1-CB 3.3Å; D112-A114 PolarHBondContact OD1-N 3.21Å; A114-R118 PolarHBondContact O-N 3.2Å
115K81.2Confident63Low117 Ų117135.5 Ų135.551%0.50967%0.668SS.*Hα-helixtrans-64.6-46.4168.7-174.6177.2-172.7-63.20111.6D112 R117 R118 D119D112-K115 HydrophobicContact CB-CB 4Å; D112-K115 PolarHBondContact O-N 3.32Å; D112-K115 VanDerWaalsContact O-N 3.15Å; D112-K115 PolarHBondContact OD1-N 3.43Å; D112-K115 WeakPolarHBondContact OD2-CB 3.41Å; K115-R117 VanDerWaalsContact C-N 3.28Å; K115-R117 PolarHBondContact O-N 2.91Å; K115-R118 CarbonylContact O-C 3.54Å; K115-R118 WeakPolarHBondContact O-CA 3.43Å; K115-R118 WeakPolarHBondContact O-CB 3.13Å; K115-R118 PolarHBondContact O-N 2.84Å; K115-D119 WeakPolarHBondContact CG-OD2 3.24Å; K115-D119 IonicContact NZ-OD2 3Å; K115-D119 PolarHBondContact NZ-OD2 3.01Å; K115-D119 PolarHBondContact O-N 3.12Å
116E75.1Confident62.9Low48 Ų48131.4 Ų131.422%0.22466%0.657CS.*Hα-helixtrans-63.3-31.5-179.9-70.6172.4-169.200113.8R111 D112 R118 G120 K121R111-E116 WeakPolarHBondContact CD-OE1 3.45Å; R111-E116 WeakPolarHBondContact CG-OE1 3.32Å; R111-E116 IonicContact CZ-OE1 3.29Å; R111-E116 VanDerWaalsContact CZ-OE1 3.29Å; R111-E116 IonicContact CZ-OE2 3.27Å; R111-E116 VanDerWaalsContact CZ-OE2 3.27Å; R111-E116 IonicContact NE-OE1 2.84Å; R111-E116 PolarHBondContact NE-OE1 2.84Å; R111-E116 IonicContact NE-OE2 2.84Å; R111-E116 PolarHBondContact NE-OE2 3.14Å; R111-E116 VanDerWaalsContact NH2-CD 3.28Å; R111-E116 IonicContact NH2-OE1 2.68Å; R111-E116 PolarHBondContact NH2-OE1 2.72Å; R111-E116 IonicContact NH2-OE2 2.82Å; R111-E116 PolarHBondContact NH2-OE2 3.13Å; D112-E116 PolarHBondContact O-N 2.93Å; E116-R118 VanDerWaalsContact C-N 3.31Å; E116-G120 PolarHBondContact O-N 3.21Å; E116-K121 PolarHBondContact O-N 3.31Å
117R80Confident63Low167 Ų167135.2 Ų135.263%0.6366%0.664SS**Hα-helixtrans-73.2-21.4171-75.9173.4177.7148.2-6113.6R113 K115R113-R117 WeakPolarHBondContact O-CD 3.14Å; R113-R117 VanDerWaalsContact O-CG 3.27Å; R113-R117 WeakPolarHBondContact O-CG 3.41Å; R113-R117 PolarHBondContact O-N 2.87Å; K115-R117 VanDerWaalsContact C-N 3.28Å; K115-R117 PolarHBondContact O-N 2.91Å
118R79.8Confident62.7Low214 Ų214138.9 Ų138.981%0.80867%0.674SS**Hα-helixtrans-85.4-38.2176-167.4-178.4-60-178.83111.4A114 K115 E116 G120A114-R118 PolarHBondContact O-N 3.2Å; K115-R118 CarbonylContact O-C 3.54Å; K115-R118 WeakPolarHBondContact O-CA 3.43Å; K115-R118 WeakPolarHBondContact O-CB 3.13Å; K115-R118 PolarHBondContact O-N 2.84Å; E116-R118 VanDerWaalsContact C-N 3.31Å; R118-G120 PolarHBondContact O-N 3.35Å
119D77.8Confident62.8Low94 Ų94136.2 Ų136.250%0.50367%0.67SS.*THydrogen-bonded Turntrans-84.18.3178.3-59.7-13.1000112.9K115 K121K115-D119 WeakPolarHBondContact CG-OD2 3.24Å; K115-D119 IonicContact NZ-OD2 3Å; K115-D119 PolarHBondContact NZ-OD2 3.01Å; K115-D119 PolarHBondContact O-N 3.12Å; D119-K121 PolarHBondContact O-N 3.14Å
120G63.7Low62.1Low62 Ų62133.5 Ų133.564%0.63967%0.668SS**THydrogen-bonded Turntrans69.8-3.1174.300000116.7E116 R118 L122E116-G120 PolarHBondContact O-N 3.21Å; R118-G120 PolarHBondContact O-N 3.35Å; G120-L122 PolarHBondContact O-N 3.12Å
121K65.1Low61.1Low148 Ų148130.8 Ų130.864%0.64366%0.663SS**  trans-88.568.6-170.3-142.3167.4-173.5-179.50112E116 D119 V123E116-K121 PolarHBondContact O-N 3.31Å; D119-K121 PolarHBondContact O-N 3.14Å; K121-V123 PolarHBondContact O-N 3.42Å
122L50.4Low59.6Low141 Ų141131.8 Ų131.874%0.73868%0.675SS**  trans-80.8106.3174.6-88.5167.9000111.7G120G120-L122 PolarHBondContact O-N 3.12Å
123V53Low58.3Low101 Ų101138.8 Ų138.861%0.61269%0.694SS**PPolyproline II helixtrans-84.1135.6174.9175.20000110.8K121K121-V123 PolarHBondContact O-N 3.42Å
124A48.7Very low56.7Low88 Ų88139.3 Ų139.373%0.72770%0.703SS**PPolyproline II helixtrans-90140.9166.200000110.1
125P44.5Very low55.4Low123 Ų123142.3 Ų142.380%0.79971%0.71SS**PPolyproline II helixtrans-103.6127.8-171.235.8-29.3000114.4
126T42.7Very low53.9Low126 Ų126145.2 Ų145.277%0.77373%0.725SS**  trans-151.6104.7161.3-34.30000104.3
127E45.1Very low52.6Low182 Ų182149.7 Ų149.785%0.8575%0.751SS**  54.6133.6102.2-62-165.3173.600114.1
128E40.3Very low51.1Low181 Ų181146.4 Ų146.485%0.84675%0.746SS**  trans79.884-164.7-54.9174.9-15600112.5
129V44.2Very low49.7Very low124 Ų124142.5 Ų142.575%0.75274%0.741SS**  62.495.681.3-174.90000112.8
130E38.5Very low48.5Very low185 Ų185144.7 Ų144.786%0.86475%0.753SS**SBendtrans69.543.5148.4-58.8-177.5166.800121
131E42.9Very low48.1Very low174 Ų174145.4 Ų145.481%0.81375%0.745SS**  trans-143.5-9.1166.4-113.3160.3-142.100117.6R133E131-R133 PolarHBondContact O-N 3.42Å
132E45.2Very low47.5Very low178 Ų178144.6 Ų144.683%0.83275%0.746SS**THydrogen-bonded Turntrans-83.745-167.4-56-172.1133.900117.1
133R48.2Very low47.9Very low239 Ų239142.5 Ų142.590%0.90274%0.74SS**THydrogen-bonded Turntrans-128.31.8173.9-95.1-155.6-63.6-103.7-1117.5E131E131-R133 PolarHBondContact O-N 3.42Å
134E47.3Very low48Very low172 Ų172148.6 Ų148.680%0.80475%0.752SS**SBendtrans-120.28.3-177.8-60.9-169.3166.100114.1
135I50.4Low48.3Very low125 Ų125149.2 Ų149.264%0.64175%0.747SS**SBendtrans-95.1-22.2-167.6-57.6175.3000114.1N137I135-N137 VanDerWaalsContact C-N 3.27Å; I135-N137 PolarHBondContact O-N 2.89Å
136E48.1Very low48.8Very low178 Ų178146.3 Ų146.383%0.83273%0.733SS**THydrogen-bonded Turntrans-79.79.6-176.7-71.7-172.515600115
137N49.6Very low49.3Very low142 Ų142147.6 Ų147.676%0.75974%0.735SS**THydrogen-bonded Turntrans-1196.8-178.7-74.1-44000115.1I135I135-N137 VanDerWaalsContact C-N 3.27Å; I135-N137 PolarHBondContact O-N 2.89Å
138D48.5Very low49.3Very low98 Ų98149.3 Ų149.352%0.52474%0.735SS.*  trans-96.8-7.5-171-114.3-16.2000115.6D140 T141 L142D138-D140 PolarHBondContact O-N 3.34Å; D138-T141 PolarHBondContact O-N 3.28Å; D138-T141 PolarHBondContact OD1-OG1 3.31Å; D138-L142 PolarHBondContact O-N 3.5Å
139D49.4Very low49.7Very low131 Ų131152 Ų15270%0.70174%0.738SS**Hα-helixtrans-68.6-33.3-178.3-80.8-39.5000113.6T143D139-T143 PolarHBondContact O-N 3.47Å; D139-T143 PolarHBondContact O-OG1 3.35Å
140D53.5Low50Low141 Ų141150.4 Ų150.475%0.75474%0.737SS**Hα-helixtrans-73-29175.6-76.9-28000112.3D138 R144D138-D140 PolarHBondContact O-N 3.34Å; D140-R144 PolarHBondContact O-N 3.42Å
141T53.9Low50.6Low77 Ų77148.5 Ų148.547%0.47274%0.738SS.*Hα-helixtrans-72.4-34.2177.6-32.80000111.8D138D138-T141 PolarHBondContact O-N 3.28Å; D138-T141 PolarHBondContact OD1-OG1 3.31Å
142L52.9Low50.8Low130 Ų130144.3 Ų144.368%0.68173%0.734SS**Hα-helixtrans-71.6-36.6178.1-136.671.7000111.8D138 T145D138-L142 PolarHBondContact O-N 3.5Å; L142-T145 PolarHBondContact O-OG1 2.91Å
143T58.7Low51Low97 Ų97141.8 Ų141.860%0.59573%0.732SS**Hα-helixtrans-70.9-35.1-177.2-51.20000112.2D139 T145 A146D139-T143 PolarHBondContact O-N 3.47Å; D139-T143 PolarHBondContact O-OG1 3.35Å; T143-T145 PolarHBondContact O-N 2.82Å; T143-T145 VanDerWaalsContact O-N 3.12Å; T143-A146 PolarHBondContact O-N 2.67Å
144R56.6Low50.8Low229 Ų229135.5 Ų135.586%0.86473%0.725SS**THydrogen-bonded Turntrans-73.50.7-178.3-131.8-177.787.6-178.36.4116.1D140D140-R144 PolarHBondContact O-N 3.42Å
145T54.4Low50.7Low102 Ų102133.7 Ų133.763%0.62673%0.731SS**THydrogen-bonded Turntrans-120.2-1.7178.959.40000114.1L142 T143 D147L142-T145 PolarHBondContact O-OG1 2.91Å; T143-T145 PolarHBondContact O-N 2.82Å; T143-T145 VanDerWaalsContact O-N 3.12Å; T145-D147 PolarHBondContact O-N 2.84Å
146A55.4Low50.7Low62 Ų62132 Ų13251%0.51274%0.736SS.*THydrogen-bonded Turntrans-73.2-21.8-175.300000114.7T143 Y148T143-A146 PolarHBondContact O-N 2.67Å; A146-Y148 VanDerWaalsContact C-N 3.32Å; A146-Y148 PolarHBondContact O-N 2.9Å
147D51.8Low50.7Low152 Ų152128.1 Ų128.181%0.81373%0.734SS**THydrogen-bonded Turntrans-77.3-10.5-172.7-67.7-24.2000114.7T145 R149T145-D147 PolarHBondContact O-N 2.84Å; D147-R149 VanDerWaalsContact C-N 3.31Å; D147-R149 PolarHBondContact O-N 2.79Å
148Y45.9Very low50.7Low218 Ų218125.2 Ų125.286%0.85574%0.738SS**  trans-93.545.1174.4-72.1-77.6000113A146 A150A146-Y148 VanDerWaalsContact C-N 3.32Å; A146-Y148 PolarHBondContact O-N 2.9Å; Y148-A150 VanDerWaalsContact C-N 3.32Å; Y148-A150 PolarHBondContact O-N 3.23Å; Y148-A150 VanDerWaalsContact O-N 3.13Å
149R48.5Very low51.2Low238 Ų238122.9 Ų122.990%0.89873%0.732SS**  trans-87.159178.6-163-173175.3177.1-0.2113.2D147D147-R149 VanDerWaalsContact C-N 3.31Å; D147-R149 PolarHBondContact O-N 2.79Å
150A51.3Low51.6Low90 Ų90120.1 Ų120.174%0.74472%0.724SS**  trans-156.770.2170.300000113.7Y148Y148-A150 VanDerWaalsContact C-N 3.32Å; Y148-A150 PolarHBondContact O-N 3.23Å; Y148-A150 VanDerWaalsContact O-N 3.13Å
151V49.3Very low52.1Low146 Ų146121 Ų12189%0.88572%0.722SS**SBendtrans175.7152.4142.6152.30000107.9
152A47.3Very low53.2Low86 Ų86119.9 Ų119.971%0.71172%0.722SS**PPolyproline II helixtrans-63.3148.5-164.700000115.5S154A152-S154 PolarHBondContact O-N 3.46Å
153P50.1Low54.2Low124 Ų124118.7 Ų118.781%0.80571%0.713SS**PPolyproline II helixtrans-71.7124.6177.429.7-34.2000111.5
154S43.1Very low54.9Low107 Ų107122.6 Ų122.675%0.74872%0.716SS**PPolyproline II helixtrans-86.4125.1169.457.10000110.7A152 A156A152-S154 PolarHBondContact O-N 3.46Å; S154-A156 VanDerWaalsContact C-N 3.28Å; S154-A156 PolarHBondContact O-N 2.85Å
155S46.7Very low55.8Low134 Ų134119.3 Ų119.394%0.93770%0.704SS**THydrogen-bonded Turntrans-74.658.5-167.2-50.20000115.3
156A49.7Very low57.1Low90 Ų90122.8 Ų122.874%0.74471%0.705SS**THydrogen-bonded Turntrans-137-16.3-177.700000116.4S154 G158S154-A156 VanDerWaalsContact C-N 3.28Å; S154-A156 PolarHBondContact O-N 2.85Å; A156-G158 PolarHBondContact O-N 3.41Å
157A47.7Very low58.1Low96 Ų96125.4 Ų125.479%0.79371%0.709SS**  trans-82.135.2-169.600000115.5A159A157-A159 PolarHBondContact O-N 2.82Å
158G51Low59.3Low81 Ų81123.7 Ų123.784%0.83570%0.699SS**  trans-71.628.5170.200000113.6A156 S160A156-G158 PolarHBondContact O-N 3.41Å; G158-S160 PolarHBondContact O-N 2.97Å; G158-S160 VanDerWaalsContact O-N 3.13Å
159A57.5Low60.4Low49 Ų49117.6 Ų117.641%0.40568%0.68SS.*  trans-80.698.2-16900000110.9A157 E163A157-A159 PolarHBondContact O-N 2.82Å; A159-E163 HydrophobicContact CB-CB 4.25Å; A159-E163 VanDerWaalsContact CB-OE2 3.22Å; A159-E163 WeakPolarHBondContact CB-OE2 3.32Å
160S57.6Low61.7Low74 Ų74111.5 Ų111.552%0.51766%0.662SS.*  trans4.3136.5158.2-170.90000117.6G158 A162 E163 R164G158-S160 PolarHBondContact O-N 2.97Å; G158-S160 VanDerWaalsContact O-N 3.13Å; S160-A162 PolarHBondContact O-N 2.86Å; S160-A162 WeakPolarHBondContact OG-CB 3.42Å; S160-A162 PolarHBondContact OG-N 3.37Å; S160-A162 VanDerWaalsContact OG-N 3.12Å; S160-E163 PolarHBondContact O-N 2.74Å; S160-R164 PolarHBondContact O-N 3.05Å
161H65.2Low62.5Low158 Ų158113.6 Ų113.673%0.73166%0.656SS**Hα-helixtrans-42.2-32.3161.917695.4000113.3E163 R164 R165H161-E163 PolarHBondContact O-N 3.33Å; H161-R164 PolarHBondContact O-N 3.22Å; H161-R165 VanDerWaalsContact O-CB 3.3Å; H161-R165 WeakPolarHBondContact O-CB 3.45Å; H161-R165 PolarHBondContact O-N 3.31Å
162A75.8Confident63.3Low55 Ų55109.8 Ų109.846%0.45564%0.636SS.*Hα-helixtrans-65.5-31.6174.600000114.6S160 R166S160-A162 PolarHBondContact O-N 2.86Å; S160-A162 WeakPolarHBondContact OG-CB 3.42Å; S160-A162 PolarHBondContact OG-N 3.37Å; S160-A162 VanDerWaalsContact OG-N 3.12Å; A162-R166 WeakPolarHBondContact O-CG 3.39Å; A162-R166 PolarHBondContact O-N 2.86Å
163E74.9Confident64.2Low105 Ų105113.2 Ų113.249%0.49164%0.635SS.*Hα-helixtrans-80.7-36.5176.5-164.6157.4-93.500111.6A159 S160 H161 R165 R166 M167A159-E163 HydrophobicContact CB-CB 4.25Å; A159-E163 VanDerWaalsContact CB-OE2 3.22Å; A159-E163 WeakPolarHBondContact CB-OE2 3.32Å; S160-E163 PolarHBondContact O-N 2.74Å; H161-E163 PolarHBondContact O-N 3.33Å; E163-R165 VanDerWaalsContact C-N 3.28Å; E163-R165 PolarHBondContact O-N 3.05Å; E163-R166 CarbonylContact O-C 3.51Å; E163-R166 WeakPolarHBondContact O-CB 3.24Å; E163-R166 PolarHBondContact O-N 3.15Å; E163-R166 VanDerWaalsContact O-N 3.09Å; E163-M167 PolarHBondContact O-N 2.98Å
164R73.8Confident64.6Low179 Ų179115.5 Ų115.568%0.67563%0.629SS**Hα-helixtrans-60.3-40.2167.3-156.7-174.4-64.1-172.92111.1S160 H161 M167 L168S160-R164 PolarHBondContact O-N 3.05Å; H161-R164 PolarHBondContact O-N 3.22Å; R164-M167 PolarHBondContact O-N 3.01Å; R164-L168 PolarHBondContact O-N 2.89Å
165R75.2Confident65.3Low160 Ų160116.1 Ų116.160%0.60462%0.623SS**Hα-helixtrans-66.5-35.7171.6-167.8-179.9-178.4-142.81.1112.6H161 E163 L168 I169H161-R165 VanDerWaalsContact O-CB 3.3Å; H161-R165 WeakPolarHBondContact O-CB 3.45Å; H161-R165 PolarHBondContact O-N 3.31Å; E163-R165 VanDerWaalsContact C-N 3.28Å; E163-R165 PolarHBondContact O-N 3.05Å; R165-L168 PolarHBondContact O-N 3.17Å; R165-I169 HydrophobicContact CG-CD1 3.95Å; R165-I169 WeakPolarHBondContact O-CB 3.4Å; R165-I169 WeakPolarHBondContact O-CD1 3.02Å; R165-I169 WeakPolarHBondContact O-CG1 3.41Å; R165-I169 PolarHBondContact O-N 3.46Å
166R80.8Confident65.5Low174 Ų174113.2 Ų113.266%0.65761%0.614SS**Hα-helixtrans-65.9-40.4172.3-82.3178.8174.5179.2-1.1112.3A162 E163 I169 Q170A162-R166 WeakPolarHBondContact O-CG 3.39Å; A162-R166 PolarHBondContact O-N 2.86Å; E163-R166 CarbonylContact O-C 3.51Å; E163-R166 WeakPolarHBondContact O-CB 3.24Å; E163-R166 PolarHBondContact O-N 3.15Å; E163-R166 VanDerWaalsContact O-N 3.09Å; R166-I169 CarbonylContact O-C 3.59Å; R166-I169 PolarHBondContact O-N 2.96Å; R166-Q170 WeakPolarHBondContact O-CB 3.31Å; R166-Q170 PolarHBondContact O-N 3.28Å
167M77.2Confident65.6Low118 Ų118110.8 Ų110.858%0.58160%0.598SS**Hα-helixtrans-58.6-51.3171.7-74.1-71.9-139.500110.5E163 R164 I169 Q170 E171E163-M167 PolarHBondContact O-N 2.98Å; R164-M167 PolarHBondContact O-N 3.01Å; M167-I169 VanDerWaalsContact C-N 3.31Å; M167-I169 PolarHBondContact O-N 2.84Å; M167-Q170 CarbonylContact O-C 3.55Å; M167-Q170 PolarHBondContact O-N 2.87Å; M167-E171 WeakPolarHBondContact O-CB 3.37Å; M167-E171 WeakPolarHBondContact O-CG 3.27Å; M167-E171 PolarHBondContact O-N 3.28Å
168L78.1Confident65.7Low116 Ų116112.2 Ų112.261%0.60759%0.592SS**Hα-helixtrans-56.6-40.1175.1-110.8160000113.2R164 R165 S172R164-L168 PolarHBondContact O-N 2.89Å; R165-L168 PolarHBondContact O-N 3.17Å; L168-S172 WeakPolarHBondContact O-CB 3.38Å; L168-S172 PolarHBondContact O-N 2.91Å; L168-S172 PolarHBondContact O-OG 2.64Å
169I67.3Low65.7Low89 Ų89117.1 Ų117.146%0.45660%0.595SS.*Hα-helixtrans-71.3-33175.4-70.7166.4000111.5R165 R166 M167 S172 K173R165-I169 HydrophobicContact CG-CD1 3.95Å; R165-I169 WeakPolarHBondContact O-CB 3.4Å; R165-I169 WeakPolarHBondContact O-CD1 3.02Å; R165-I169 WeakPolarHBondContact O-CG1 3.41Å; R165-I169 PolarHBondContact O-N 3.46Å; R166-I169 CarbonylContact O-C 3.59Å; R166-I169 PolarHBondContact O-N 2.96Å; M167-I169 VanDerWaalsContact C-N 3.31Å; M167-I169 PolarHBondContact O-N 2.84Å; I169-S172 VanDerWaalsContact CA-OG 3.3Å; I169-S172 WeakPolarHBondContact CA-OG 3.36Å; I169-S172 PolarHBondContact O-OG 3.39Å; I169-S172 VanDerWaalsContact O-OG 3.1Å; I169-K173 WeakPolarHBondContact O-CB 3.22Å; I169-K173 PolarHBondContact O-N 2.88Å
170Q76.6Confident65.8Low110 Ų110123 Ų12351%0.51461%0.614SS.*Hα-helixtrans-77.5-39.6179.7-173.4166.1-2200111.6R166 M167 K173 Y174R166-Q170 WeakPolarHBondContact O-CB 3.31Å; R166-Q170 PolarHBondContact O-N 3.28Å; M167-Q170 CarbonylContact O-C 3.55Å; M167-Q170 PolarHBondContact O-N 2.87Å; Q170-K173 PolarHBondContact O-N 3.16Å; Q170-Y174 HydrophobicContact CG-CD2 4.31Å; Q170-Y174 HydrophobicContact CG-CE2 3.96Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.26Å; Q170-Y174 PolarHBondContact O-N 2.88Å
171E67.6Low65.8Low134 Ų134126.1 Ų126.163%0.62662%0.621SS**Hα-helixtrans-61.2-45.8170.3-72.2178.116900111.1M167 Y174 L175M167-E171 WeakPolarHBondContact O-CB 3.37Å; M167-E171 WeakPolarHBondContact O-CG 3.27Å; M167-E171 PolarHBondContact O-N 3.28Å; E171-Y174 PolarHBondContact O-N 3.32Å; E171-L175 PolarHBondContact O-N 2.64Å
172S65.7Low65.3Low66 Ų66121.3 Ų121.346%0.46260%0.603SS.*Hα-helixtrans-68.8-31.5174.553.70000113.6L168 I169 Y174 L175 G176L168-S172 WeakPolarHBondContact O-CB 3.38Å; L168-S172 PolarHBondContact O-N 2.91Å; L168-S172 PolarHBondContact O-OG 2.64Å; I169-S172 VanDerWaalsContact CA-OG 3.3Å; I169-S172 WeakPolarHBondContact CA-OG 3.36Å; I169-S172 PolarHBondContact O-OG 3.39Å; I169-S172 VanDerWaalsContact O-OG 3.1Å; S172-Y174 VanDerWaalsContact C-N 3.29Å; S172-Y174 PolarHBondContact O-N 3.48Å; S172-L175 PolarHBondContact O-N 3.03Å; S172-L175 VanDerWaalsContact O-N 3.17Å; S172-G176 PolarHBondContact O-N 3.27Å; S172-G176 VanDerWaalsContact O-N 3.14Å
173K66.9Low64.3Low158 Ų158127 Ų12769%0.68762%0.62SS**Hα-helixtrans-62.1-32.3176.8-177.4175.7-179.1-176.80113.5I169 Q170I169-K173 WeakPolarHBondContact O-CB 3.22Å; I169-K173 PolarHBondContact O-N 2.88Å; Q170-K173 PolarHBondContact O-N 3.16Å
174Y58.3Low63.3Low173 Ų173128.6 Ų128.668%0.67863%0.631SS**THydrogen-bonded Turntrans-92.9-2.4177.5-67.5-69.2000113.9Q170 E171 S172Q170-Y174 HydrophobicContact CG-CD2 4.31Å; Q170-Y174 HydrophobicContact CG-CE2 3.96Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.26Å; Q170-Y174 PolarHBondContact O-N 2.88Å; E171-Y174 PolarHBondContact O-N 3.32Å; S172-Y174 VanDerWaalsContact C-N 3.29Å; S172-Y174 PolarHBondContact O-N 3.48Å
175L58.4Low62.5Low120 Ų120124.9 Ų124.963%0.62863%0.627SS**THydrogen-bonded Turntrans-110.1-4.4178.2-139.474.6000113.6E171 S172 G177E171-L175 PolarHBondContact O-N 2.64Å; S172-L175 PolarHBondContact O-N 3.03Å; S172-L175 VanDerWaalsContact O-N 3.17Å; L175-G177 VanDerWaalsContact C-N 3.33Å; L175-G177 PolarHBondContact O-N 3.4Å
176G50.9Low61.8Low73 Ų73127.6 Ų127.675%0.75364%0.644SS**  trans-87.250.1-174.500000115.2S172S172-G176 PolarHBondContact O-N 3.27Å; S172-G176 VanDerWaalsContact O-N 3.14Å
177G51.1Low61Low39 Ų39121 Ų12140%0.40263%0.63SS.*  trans-112.5131.7169.300000110.6L175 T182L175-G177 VanDerWaalsContact C-N 3.33Å; L175-G177 PolarHBondContact O-N 3.4Å; G177-T182 WeakPolarHBondContact O-CG2 3.27Å
178D50.3Low60.4Low125 Ų125117.3 Ų117.367%0.66861%0.612SS**  trans-64.8152.2176.7-57.2-35.5000111E180 H181 T182D178-E180 PolarHBondContact O-N 2.84Å; D178-H181 PolarHBondContact O-N 3.3Å; D178-T182 PolarHBondContact O-N 3.24Å
179M50.2Low59.6Low184 Ų184115.9 Ų115.991%0.90661%0.605SS**THydrogen-bonded Turntrans-50.3-26.9-172.3-81168.348.300115.4
180E60.9Low60.1Low172 Ų172118.8 Ų118.880%0.80461%0.611SS**THydrogen-bonded Turntrans-88.1-16.7-177.1-61.5167.8-139.400113D178D178-E180 PolarHBondContact O-N 2.84Å
181H56.9Low60.1Low140 Ų140118 Ų11865%0.64861%0.614SS**THydrogen-bonded Turntrans-123.9-1.8-165.9-63.1100.1000114.1D178 H183D178-H181 PolarHBondContact O-N 3.3Å; H181-H183 PolarHBondContact O-N 3.01Å; H181-H183 VanDerWaalsContact O-N 3.09Å
182T53.4Low60.5Low57 Ų57116.1 Ų116.135%0.3561%0.608SS.*  trans-74.992.7168470000110.8G177 D178 L184G177-T182 WeakPolarHBondContact O-CG2 3.27Å; D178-T182 PolarHBondContact O-N 3.24Å; T182-L184 PolarHBondContact O-N 3.07Å
183H55Low61.3Low176 Ų176117.6 Ų117.682%0.81561%0.61SS**  trans-53.5124.7163.3-92.1-66.6000109.4H181 V185H181-H183 PolarHBondContact O-N 3.01Å; H181-H183 VanDerWaalsContact O-N 3.09Å; H183-V185 PolarHBondContact O-N 2.95Å
184L53.6Low62.1Low138 Ų138114.6 Ų114.672%0.72360%0.598SS**  trans-52.191.9-171-64.895.3000112.6T182 K186T182-L184 PolarHBondContact O-N 3.07Å; L184-K186 PolarHBondContact O-N 2.93Å; L184-K186 VanDerWaalsContact O-N 3.15Å
185V57.2Low63.4Low100 Ų100112.9 Ų112.961%0.60659%0.594SS**  trans-68.9111.5165.7178.70000105.5H183 G187 L188H183-V185 PolarHBondContact O-N 2.95Å; V185-G187 VanDerWaalsContact C-N 3.29Å; V185-G187 PolarHBondContact O-N 3.49Å; V185-L188 HydrophobicContact CB-CB 4.26Å; V185-L188 PolarHBondContact O-N 3.23Å
186K60.8Low64.7Low218 Ų218110.1 Ų110.195%0.94858%0.582SS**THydrogen-bonded Turntrans-60.884.7-173.9-167.4178.7-175.8-179.90111.1L184L184-K186 PolarHBondContact O-N 2.93Å; L184-K186 VanDerWaalsContact O-N 3.15Å
187G65.1Low66.6Low35 Ų35114.7 Ų114.736%0.36158%0.577SS.*THydrogen-bonded Turntrans144.2-23.6-170.800000114.9V185 Y190 V191V185-G187 VanDerWaalsContact C-N 3.29Å; V185-G187 PolarHBondContact O-N 3.49Å; G187-Y190 WeakPolarHBondContact O-CB 3.32Å; G187-Y190 PolarHBondContact O-N 3.37Å; G187-Y190 VanDerWaalsContact O-N 3.14Å; G187-V191 PolarHBondContact O-N 2.87Å
188L63.5Low68.4Low41 Ų41117.7 Ų117.722%0.21558%0.583CS.*Hα-helixtrans-63.9-46.7177.3-168.8157.8000110.7V185 Y190 V191 L192V185-L188 HydrophobicContact CB-CB 4.26Å; V185-L188 PolarHBondContact O-N 3.23Å; L188-Y190 PolarHBondContact O-N 3.19Å; L188-V191 PolarHBondContact O-N 3.46Å; L188-V191 VanDerWaalsContact O-N 3.12Å; L188-L192 WeakPolarHBondContact O-CB 3.29Å; L188-L192 PolarHBondContact O-N 2.99Å
189D62.2Low70.1Confident85 Ų85116.1 Ų116.146%0.45557%0.572SS.*Hα-helixtrans-54.8-36.2172.6-60.2-5.8000111.9L193D189-L193 WeakPolarHBondContact O-CB 3.4Å; D189-L193 WeakPolarHBondContact O-CD1 3.49Å; D189-L193 WeakPolarHBondContact O-CG 3.48Å; D189-L193 PolarHBondContact O-N 3.04Å
190Y77.2Confident71.9Confident150 Ų150111.4 Ų111.459%0.58855%0.549SS*.Hα-helixtrans-70.8-43.4178.4-173.3-91.7000111.8G187 L188 L192 Q194G187-Y190 WeakPolarHBondContact O-CB 3.32Å; G187-Y190 PolarHBondContact O-N 3.37Å; G187-Y190 VanDerWaalsContact O-N 3.14Å; L188-Y190 PolarHBondContact O-N 3.19Å; Y190-L192 VanDerWaalsContact C-N 3.35Å; Y190-Q194 VanDerWaalsContact O-CB 3.24Å; Y190-Q194 WeakPolarHBondContact O-CB 3.44Å; Y190-Q194 PolarHBondContact O-N 2.82Å
191V77.2Confident73.2Confident93 Ų93108.4 Ų108.456%0.56454%0.535SS*.Hα-helixtrans-64.2-40.7174.8175.30000111G187 L188 Q194 K195G187-V191 PolarHBondContact O-N 2.87Å; L188-V191 PolarHBondContact O-N 3.46Å; L188-V191 VanDerWaalsContact O-N 3.12Å; V191-Q194 PolarHBondContact O-N 3.06Å; V191-K195 WeakPolarHBondContact O-CB 3.24Å; V191-K195 PolarHBondContact O-N 3.4Å
192L75.8Confident74.8Confident96 Ų96107 Ų10750%0.50353%0.532SS..Hα-helixtrans-69.4-45.5177.7-173.161.9000111.6L188 Y190 Q194 K195 V196L188-L192 WeakPolarHBondContact O-CB 3.29Å; L188-L192 PolarHBondContact O-N 2.99Å; Y190-L192 VanDerWaalsContact C-N 3.35Å; L192-Q194 VanDerWaalsContact C-N 3.3Å; L192-Q194 PolarHBondContact O-N 3.27Å; L192-K195 PolarHBondContact O-N 2.88Å; L192-V196 HydrophobicContact CD1-CG2 4.45Å; L192-V196 WeakPolarHBondContact O-CB 3.4Å; L192-V196 WeakPolarHBondContact O-CG2 3.34Å; L192-V196 PolarHBondContact O-N 3.03Å
193L82.8Confident76.4Confident97 Ų97109.8 Ų109.851%0.50854%0.54SS..Hα-helixtrans-60.7-38.3173.3-78.1167.8000111.8D189 R197D189-L193 WeakPolarHBondContact O-CB 3.4Å; D189-L193 WeakPolarHBondContact O-CD1 3.49Å; D189-L193 WeakPolarHBondContact O-CG 3.48Å; D189-L193 PolarHBondContact O-N 3.04Å; L193-R197 VanDerWaalsContact O-CB 3.26Å; L193-R197 WeakPolarHBondContact O-CB 3.28Å; L193-R197 WeakPolarHBondContact O-CG 3.37Å; L193-R197 PolarHBondContact O-N 3.45Å
194Q84.2Confident77.9Confident95 Ų95106.6 Ų106.644%0.44453%0.525SS..Hα-helixtrans-70.3-38.6176.6-169.8156.98.300111.5Y190 V191 L192 L198Y190-Q194 VanDerWaalsContact O-CB 3.24Å; Y190-Q194 WeakPolarHBondContact O-CB 3.44Å; Y190-Q194 PolarHBondContact O-N 2.82Å; V191-Q194 PolarHBondContact O-N 3.06Å; L192-Q194 VanDerWaalsContact C-N 3.3Å; L192-Q194 PolarHBondContact O-N 3.27Å; Q194-L198 HydrophobicContact CG-CD1 4.3Å; Q194-L198 WeakPolarHBondContact O-CB 3.45Å; Q194-L198 VanDerWaalsContact O-CG 3.24Å; Q194-L198 WeakPolarHBondContact O-CG 3.48Å; Q194-L198 PolarHBondContact O-N 2.95Å
195K85Confident79.6Confident136 Ų136103.1 Ų103.159%0.59151%0.507SS*.Hα-helixtrans-62.8-46171.7-174-178.3176.4-173.50111.9V191 L192 L198 E199V191-K195 WeakPolarHBondContact O-CB 3.24Å; V191-K195 PolarHBondContact O-N 3.4Å; L192-K195 PolarHBondContact O-N 2.88Å; K195-L198 PolarHBondContact O-N 3.49Å; K195-E199 WeakPolarHBondContact O-CB 3.42Å; K195-E199 PolarHBondContact O-N 2.96Å
196V86.5Confident80.9Confident62 Ų62104.7 Ų104.738%0.37651%0.508SS..Hα-helixtrans-67.2-40.6179.3170.80000111.4L192 E199 I200L192-V196 HydrophobicContact CD1-CG2 4.45Å; L192-V196 WeakPolarHBondContact O-CB 3.4Å; L192-V196 WeakPolarHBondContact O-CG2 3.34Å; L192-V196 PolarHBondContact O-N 3.03Å; V196-E199 PolarHBondContact O-N 3.41Å; V196-I200 HydrophobicContact CG1-CD1 3.77Å; V196-I200 HydrophobicContact CG1-CG1 4.39Å; V196-I200 WeakPolarHBondContact O-CB 3.42Å; V196-I200 VanDerWaalsContact O-CG1 3.29Å; V196-I200 WeakPolarHBondContact O-CG1 3.43Å; V196-I200 PolarHBondContact O-N 3.13Å
197R90.1Very high82.1Confident170 Ų17097.1 Ų97.164%0.64249%0.486SS*.Hα-helixtrans-61.3-44.5173-78.8174.1177-180-1.3112L193 I200 Q201L193-R197 VanDerWaalsContact O-CB 3.26Å; L193-R197 WeakPolarHBondContact O-CB 3.28Å; L193-R197 WeakPolarHBondContact O-CG 3.37Å; L193-R197 PolarHBondContact O-N 3.45Å; R197-I200 PolarHBondContact O-N 3.03Å; R197-Q201 VanDerWaalsContact O-CB 3.27Å; R197-Q201 WeakPolarHBondContact O-CB 3.23Å; R197-Q201 PolarHBondContact O-N 2.98Å
198L88Confident83Confident101 Ų101101.6 Ų101.653%0.52950%0.497SS..Hα-helixtrans-64.2-39.7175-72.6169.4000111.6Q194 K195 N202Q194-L198 HydrophobicContact CG-CD1 4.3Å; Q194-L198 WeakPolarHBondContact O-CB 3.45Å; Q194-L198 VanDerWaalsContact O-CG 3.24Å; Q194-L198 WeakPolarHBondContact O-CG 3.48Å; Q194-L198 PolarHBondContact O-N 2.95Å; K195-L198 PolarHBondContact O-N 3.49Å; L198-N202 VanDerWaalsContact O-CB 3.24Å; L198-N202 WeakPolarHBondContact O-CB 3.4Å; L198-N202 PolarHBondContact O-N 2.95Å
199E87.1Confident84Confident92 Ų92105.2 Ų105.243%0.4351%0.513SS..Hα-helixtrans-67.3-39177.6-169.1-178.6149.900112.5K195 V196 K203K195-E199 WeakPolarHBondContact O-CB 3.42Å; K195-E199 PolarHBondContact O-N 2.96Å; V196-E199 PolarHBondContact O-N 3.41Å; E199-K203 WeakPolarHBondContact O-CG 3.43Å; E199-K203 PolarHBondContact O-N 3.2Å; E199-K203 VanDerWaalsContact O-N 3.16Å; E199-K203 WeakPolarHBondContact OE1-CE 3.43Å; E199-K203 IonicContact OE1-NZ 3.26Å; E199-K203 PolarHBondContact OE1-NZ 2.79Å
200I86.8Confident85Confident86 Ų86103.8 Ų103.844%0.44151%0.513SS..Hα-helixtrans-65.9-52.3173.7-69.3167000109.9V196 R197 N202 K203 E204V196-I200 HydrophobicContact CG1-CD1 3.77Å; V196-I200 HydrophobicContact CG1-CG1 4.39Å; V196-I200 WeakPolarHBondContact O-CB 3.42Å; V196-I200 VanDerWaalsContact O-CG1 3.29Å; V196-I200 WeakPolarHBondContact O-CG1 3.43Å; V196-I200 PolarHBondContact O-N 3.13Å; R197-I200 PolarHBondContact O-N 3.03Å; I200-N202 VanDerWaalsContact C-N 3.27Å; I200-N202 PolarHBondContact O-N 3.02Å; I200-K203 CarbonylContact O-C 3.59Å; I200-K203 PolarHBondContact O-N 3.24Å; I200-E204 HydrophobicContact CG2-CG 4.27Å; I200-E204 WeakPolarHBondContact CG2-OE1 3.42Å; I200-E204 WeakPolarHBondContact O-CG 3.31Å; I200-E204 PolarHBondContact O-N 3.12Å
201Q89.7Confident85.1Confident108 Ų108101.6 Ų101.651%0.50551%0.511SS..Hα-helixtrans-58.7-38.2179.9-173.1-179.23.700112.2R197 E204 I205R197-Q201 VanDerWaalsContact O-CB 3.27Å; R197-Q201 WeakPolarHBondContact O-CB 3.23Å; R197-Q201 PolarHBondContact O-N 2.98Å; Q201-E204 PolarHBondContact O-N 3.43Å; Q201-I205 HydrophobicContact CG-CD1 4.11Å; Q201-I205 VanDerWaalsContact O-CG1 3.28Å; Q201-I205 WeakPolarHBondContact O-CG1 3.25Å; Q201-I205 PolarHBondContact O-N 3.41Å
202N89.6Confident85.1Confident110 Ų110101.5 Ų101.559%0.58851%0.507SS*.Hα-helixtrans-71-33.8178.4-149.268.4000112L198 I200 E206L198-N202 VanDerWaalsContact O-CB 3.24Å; L198-N202 WeakPolarHBondContact O-CB 3.4Å; L198-N202 PolarHBondContact O-N 2.95Å; I200-N202 VanDerWaalsContact C-N 3.27Å; I200-N202 PolarHBondContact O-N 3.02Å; N202-E206 WeakPolarHBondContact O-CB 3.49Å; N202-E206 PolarHBondContact O-N 3.31Å
203K88.3Confident85.3Confident116 Ų116102.1 Ų102.150%0.50451%0.51SS..Hα-helixtrans-72.5-33.7172-73.1173.1-170.7168.10112.7E199 I200 E206 A207E199-K203 WeakPolarHBondContact O-CG 3.43Å; E199-K203 PolarHBondContact O-N 3.2Å; E199-K203 VanDerWaalsContact O-N 3.16Å; E199-K203 WeakPolarHBondContact OE1-CE 3.43Å; E199-K203 IonicContact OE1-NZ 3.26Å; E199-K203 PolarHBondContact OE1-NZ 2.79Å; I200-K203 CarbonylContact O-C 3.59Å; I200-K203 PolarHBondContact O-N 3.24Å; K203-E206 PolarHBondContact O-N 3.32Å; K203-A207 VanDerWaalsContact O-CB 3.23Å; K203-A207 WeakPolarHBondContact O-CB 3.47Å; K203-A207 PolarHBondContact O-N 3.32Å
204E86.2Confident84.8Confident110 Ų110103.6 Ų103.651%0.51451%0.514SS..Hα-helixtrans-63.9-47.3172-73.9170167.800110.2I200 Q201 E206 A207 E208I200-E204 HydrophobicContact CG2-CG 4.27Å; I200-E204 WeakPolarHBondContact CG2-OE1 3.42Å; I200-E204 WeakPolarHBondContact O-CG 3.31Å; I200-E204 PolarHBondContact O-N 3.12Å; Q201-E204 PolarHBondContact O-N 3.43Å; E204-E206 PolarHBondContact O-N 3.23Å; E204-A207 PolarHBondContact O-N 3.47Å; E204-E208 WeakPolarHBondContact O-CB 3.46Å; E204-E208 WeakPolarHBondContact O-CG 3.36Å; E204-E208 PolarHBondContact O-N 3.37Å
205I88Confident84.1Confident65 Ų65104.8 Ų104.833%0.33352%0.523SS..Hα-helixtrans-63.1-40.7175.1-67.6164.8000111.6Q201 A207 E208 Q209Q201-I205 HydrophobicContact CG-CD1 4.11Å; Q201-I205 VanDerWaalsContact O-CG1 3.28Å; Q201-I205 WeakPolarHBondContact O-CG1 3.25Å; Q201-I205 PolarHBondContact O-N 3.41Å; I205-A207 VanDerWaalsContact C-N 3.35Å; I205-E208 PolarHBondContact O-N 3.48Å; I205-Q209 HydrophobicContact CG2-CG 4.42Å; I205-Q209 WeakPolarHBondContact O-CB 3.3Å; I205-Q209 VanDerWaalsContact O-CG 3.25Å; I205-Q209 WeakPolarHBondContact O-CG 3.28Å; I205-Q209 PolarHBondContact O-N 2.85Å
206E85.9Confident83.2Confident133 Ų133104.2 Ų104.262%0.62153%0.526SS*.Hα-helixtrans-65.6-37.8175.8-170.7177.2-174.600111.7N202 K203 E204 A210N202-E206 WeakPolarHBondContact O-CB 3.49Å; N202-E206 PolarHBondContact O-N 3.31Å; K203-E206 PolarHBondContact O-N 3.32Å; E204-E206 PolarHBondContact O-N 3.23Å; E206-A210 VanDerWaalsContact O-CB 3.28Å; E206-A210 WeakPolarHBondContact O-CB 3.35Å; E206-A210 PolarHBondContact O-N 2.85Å
207A86Confident82Confident59 Ų59106.3 Ų106.349%0.48853%0.53SS..Hα-helixtrans-70-40.8174.800000112.6K203 E204 I205 A210 L211K203-A207 VanDerWaalsContact O-CB 3.23Å; K203-A207 WeakPolarHBondContact O-CB 3.47Å; K203-A207 PolarHBondContact O-N 3.32Å; E204-A207 PolarHBondContact O-N 3.47Å; I205-A207 VanDerWaalsContact C-N 3.35Å; A207-A210 PolarHBondContact O-N 2.88Å; A207-L211 VanDerWaalsContact O-CB 3.3Å; A207-L211 WeakPolarHBondContact O-CB 3.41Å; A207-L211 PolarHBondContact O-N 2.88Å
208E83.7Confident80Confident128 Ų128102.7 Ų102.760%0.59853%0.529SS*.Hα-helixtrans-63.2-44.4172.7-77.2-176166.300110.9E204 I205 A210 L211 D212E204-E208 WeakPolarHBondContact O-CB 3.46Å; E204-E208 WeakPolarHBondContact O-CG 3.36Å; E204-E208 PolarHBondContact O-N 3.37Å; I205-E208 PolarHBondContact O-N 3.48Å; E208-A210 PolarHBondContact O-N 3.04Å; E208-L211 CarbonylContact O-C 3.45Å; E208-L211 PolarHBondContact O-N 3.12Å; E208-D212 WeakPolarHBondContact O-CB 3.18Å; E208-D212 PolarHBondContact O-N 3.23Å
209Q84.5Confident78Confident117 Ų117105.2 Ų105.255%0.54754%0.543SS..Hα-helixtrans-64.4-39174.7-73.817818.600112.2I205 D212 I213I205-Q209 HydrophobicContact CG2-CG 4.42Å; I205-Q209 WeakPolarHBondContact O-CB 3.3Å; I205-Q209 VanDerWaalsContact O-CG 3.25Å; I205-Q209 WeakPolarHBondContact O-CG 3.28Å; I205-Q209 PolarHBondContact O-N 2.85Å; Q209-D212 PolarHBondContact O-N 3.32Å; Q209-I213 WeakPolarHBondContact O-CB 2.96Å; Q209-I213 WeakPolarHBondContact O-CD1 3.44Å; Q209-I213 WeakPolarHBondContact O-CG1 3.31Å; Q209-I213 PolarHBondContact O-N 3.46Å
210A82.5Confident75.9Confident56 Ų56111.2 Ų111.246%0.46356%0.562SS.*Hα-helixtrans-64.1-41.4173.700000111.6E206 A207 E208 I213 E214E206-A210 VanDerWaalsContact O-CB 3.28Å; E206-A210 WeakPolarHBondContact O-CB 3.35Å; E206-A210 PolarHBondContact O-N 2.85Å; A207-A210 PolarHBondContact O-N 2.88Å; E208-A210 PolarHBondContact O-N 3.04Å; A210-I213 PolarHBondContact O-N 2.97Å; A210-E214 WeakPolarHBondContact O-CB 3.49Å; A210-E214 PolarHBondContact O-N 3.25Å
211L78.9Confident73.8Confident104 Ų104114.6 Ų114.655%0.54558%0.578SS.*Hα-helixtrans-66.6-42.5175.7-166.4100.2000111.7A207 E208 I213 E214 L215A207-L211 VanDerWaalsContact O-CB 3.3Å; A207-L211 WeakPolarHBondContact O-CB 3.41Å; A207-L211 PolarHBondContact O-N 2.88Å; E208-L211 CarbonylContact O-C 3.45Å; E208-L211 PolarHBondContact O-N 3.12Å; L211-I213 VanDerWaalsContact C-N 3.32Å; L211-I213 PolarHBondContact O-N 2.86Å; L211-E214 CarbonylContact O-C 3.59Å; L211-E214 WeakPolarHBondContact O-CA 3.21Å; L211-E214 VanDerWaalsContact O-CB 3.3Å; L211-E214 WeakPolarHBondContact O-CB 3.38Å; L211-E214 PolarHBondContact O-N 3.35Å; L211-E214 VanDerWaalsContact O-N 3.08Å; L211-L215 HydrophobicContact CD2-CD1 3.71Å; L211-L215 HydrophobicContact CG-CD1 3.93Å; L211-L215 HydrophobicContact CG-CG 4.46Å; L211-L215 WeakPolarHBondContact O-CB 3.15Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.21Å; L211-L215 PolarHBondContact O-N 3.31Å
212D78.3Confident71.6Confident90 Ų90118.5 Ų118.548%0.48159%0.593SS.*Hα-helixtrans-65.5-35.3174.7-94.2-7.6000111.5E208 Q209 E214 N216E208-D212 WeakPolarHBondContact O-CB 3.18Å; E208-D212 PolarHBondContact O-N 3.23Å; Q209-D212 PolarHBondContact O-N 3.32Å; D212-E214 VanDerWaalsContact C-N 3.35Å; D212-N216 WeakPolarHBondContact O-CB 3.38Å; D212-N216 PolarHBondContact O-N 3.32Å; D212-N216 PolarHBondContact O-ND2 2.76Å
213I78.7Confident69.3Low110 Ų110122.3 Ų122.356%0.56461%0.607SS**Hα-helixtrans-69.4-34.2170.7-70164.2000110.6Q209 A210 L211 K217Q209-I213 WeakPolarHBondContact O-CB 2.96Å; Q209-I213 WeakPolarHBondContact O-CD1 3.44Å; Q209-I213 WeakPolarHBondContact O-CG1 3.31Å; Q209-I213 PolarHBondContact O-N 3.46Å; A210-I213 PolarHBondContact O-N 2.97Å; L211-I213 VanDerWaalsContact C-N 3.32Å; L211-I213 PolarHBondContact O-N 2.86Å; I213-K217 WeakPolarHBondContact O-CD 3.42Å; I213-K217 VanDerWaalsContact O-CE 3.31Å; I213-K217 WeakPolarHBondContact O-CE 3.5Å; I213-K217 WeakPolarHBondContact O-CG 3.3Å; I213-K217 PolarHBondContact O-N 3.27Å; I213-K217 VanDerWaalsContact O-N 3.15Å
214E72.5Confident67.2Low127 Ų127122.4 Ų122.459%0.59362%0.622SS**Hα-helixtrans-67.5-39.7173.8-154.977.2-98.400112.1A210 L211 D212 K217A210-E214 WeakPolarHBondContact O-CB 3.49Å; A210-E214 PolarHBondContact O-N 3.25Å; L211-E214 CarbonylContact O-C 3.59Å; L211-E214 WeakPolarHBondContact O-CA 3.21Å; L211-E214 VanDerWaalsContact O-CB 3.3Å; L211-E214 WeakPolarHBondContact O-CB 3.38Å; L211-E214 PolarHBondContact O-N 3.35Å; L211-E214 VanDerWaalsContact O-N 3.08Å; D212-E214 VanDerWaalsContact C-N 3.35Å; E214-K217 IonicContact OE1-NZ 3.01Å; E214-K217 PolarHBondContact OE1-NZ 3.24Å; E214-K217 IonicContact OE2-NZ 3.55Å
215L69.5Low64.9Low121 Ų121121.1 Ų121.163%0.63463%0.631SS**Hα-helixtrans-83.4-32.9-178.1-70.2168.2000113.5L211L211-L215 HydrophobicContact CD2-CD1 3.71Å; L211-L215 HydrophobicContact CG-CD1 3.93Å; L211-L215 HydrophobicContact CG-CG 4.46Å; L211-L215 WeakPolarHBondContact O-CB 3.15Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.21Å; L211-L215 PolarHBondContact O-N 3.31Å
216N66.5Low62.4Low123 Ų123124.6 Ų124.666%0.65865%0.65SS**Hα-helixtrans-87.2-4.1174.6-69.1-74.1000113.2D212 P218D212-N216 WeakPolarHBondContact O-CB 3.38Å; D212-N216 PolarHBondContact O-N 3.32Å; D212-N216 PolarHBondContact O-ND2 2.76Å; N216-P218 WeakPolarHBondContact O-CD 3.32Å; N216-P218 VanDerWaalsContact O-N 3.14Å
217K60.7Low60.2Low106 Ų106125.4 Ų125.446%0.46166%0.658SS.*SBendtrans-58.4116.1154.6-80.3159.7-152172.30106.1I213 E214 D219I213-K217 WeakPolarHBondContact O-CD 3.42Å; I213-K217 VanDerWaalsContact O-CE 3.31Å; I213-K217 WeakPolarHBondContact O-CE 3.5Å; I213-K217 WeakPolarHBondContact O-CG 3.3Å; I213-K217 PolarHBondContact O-N 3.27Å; I213-K217 VanDerWaalsContact O-N 3.15Å; E214-K217 IonicContact OE1-NZ 3.01Å; E214-K217 PolarHBondContact OE1-NZ 3.24Å; E214-K217 IonicContact OE2-NZ 3.55Å; K217-D219 PolarHBondContact O-N 3.48Å
218P49.5Very low58.6Low94 Ų94129.2 Ų129.261%0.6167%0.666SS**  trans-60.9137.4-178.426.5-34.5000108.6N216 R220N216-P218 WeakPolarHBondContact O-CD 3.32Å; N216-P218 VanDerWaalsContact O-N 3.14Å; P218-R220 VanDerWaalsContact C-N 3.26Å; P218-R220 HydrophobicContact CG-CG 4.34Å; P218-R220 WeakPolarHBondContact O-CB 3.39Å; P218-R220 PolarHBondContact O-N 2.82Å
219D44.9Very low57.2Low155 Ų155131.9 Ų131.983%0.82968%0.679SS**SBendtrans-6188.5-178.1-144.5-17.5000110.4K217K217-D219 PolarHBondContact O-N 3.48Å
220R43Very low56.1Low217 Ų217129.2 Ų129.282%0.81968%0.683SS**  trans-118.221.3-174.3-85-166.8169.1-127.90.3111P218P218-R220 VanDerWaalsContact C-N 3.26Å; P218-R220 HydrophobicContact CG-CG 4.34Å; P218-R220 WeakPolarHBondContact O-CB 3.39Å; P218-R220 PolarHBondContact O-N 2.82Å
221M43.4Very low55.6Low157 Ų157131 Ų13177%0.77368%0.684SS**SBendtrans-15146.6-173.5-111161.5-164.500114.4
222K44.1Very low55.8Low190 Ų190135 Ų13583%0.82670%0.699SS**SBendtrans-159.929.2160.4-111152.3-166.6177.70118.3
223E40.8Very low56.1Low191 Ų191134.6 Ų134.689%0.89369%0.693SS**SBendtrans-17071.9158-114.7173.2-14900111.8
224S42.9Very low56.5Low117 Ų117141.3 Ų141.382%0.81871%0.712SS**  trans1635.6165.640.50000114.4N226S224-N226 PolarHBondContact O-N 3.48Å
225A39.6Very low57.5Low84 Ų84139 Ų13969%0.69471%0.706SS**  trans-74.445.1176.500000114.2
226N35.7Very low58.5Low138 Ų138141 Ų14174%0.73871%0.712SS**SBendtrans-100.695.3172.9-96.3-22.7000110.2S224S224-N226 PolarHBondContact O-N 3.48Å
227N39.6Very low59.8Low149 Ų149140.9 Ų140.980%0.79771%0.711SS**  trans5957.1156.2-52.8-34.9000118.1
228E51.7Low61.3Low139 Ų139137.5 Ų137.565%0.6570%0.703SS**  trans-98.970.1160.5-67.6-160.1177.100112.2G230E228-G230 PolarHBondContact O-N 2.81Å; E228-G230 VanDerWaalsContact O-N 3.08Å
229E54.1Low63.2Low184 Ų184134 Ų13486%0.8668%0.682SS**SBendtrans-59.6107.4145.9-70.3-172.9155.800106.6I231E229-I231 PolarHBondContact O-N 3.38Å
230G61.2Low65.4Low61 Ų61131.2 Ų131.263%0.62967%0.667SS**  trans-43.8109-158.500000115.1E228 Q232E228-G230 PolarHBondContact O-N 2.81Å; E228-G230 VanDerWaalsContact O-N 3.08Å; G230-Q232 PolarHBondContact O-N 2.78Å
231I73.2Confident67.7Low95 Ų95125.2 Ų125.249%0.48765%0.65SS.*  trans-66.1103.9-176.4-58.2173.5000109.2E229 F233E229-I231 PolarHBondContact O-N 3.38Å; I231-F233 HydrophobicContact CB-CE1 4.42Å; I231-F233 HydrophobicContact CB-CE2 4.28Å; I231-F233 HydrophobicContact CB-CZ 3.89Å; I231-F233 HydrophobicContact CG2-CD1 4.19Å; I231-F233 HydrophobicContact CG2-CE1 3.55Å; I231-F233 HydrophobicContact CG2-CE2 4.19Å; I231-F233 HydrophobicContact CG2-CZ 3.52Å; I231-F233 VanDerWaalsContact O-CD2 3.32Å; I231-F233 WeakPolarHBondContact O-CD2 3.16Å; I231-F233 VanDerWaalsContact O-CE2 3.24Å; I231-F233 WeakPolarHBondContact O-CE2 3.47Å; I231-F233 PolarHBondContact O-N 2.87Å
232Q81.1Confident69.9Low187 Ų187118.5 Ų118.587%0.87462%0.618SS**  trans-79.6101.7178.3-66.8-171.6-0.500111G230 R234G230-Q232 PolarHBondContact O-N 2.78Å; Q232-R234 PolarHBondContact O-N 3.08Å
233F85.1Confident71.9Confident81 Ų81112.8 Ų112.836%0.35560%0.597SS.*  trans-72.3123.4175.1-56.3-74.4000111.4I231 T235 A238 A239 C242I231-F233 HydrophobicContact CB-CE1 4.42Å; I231-F233 HydrophobicContact CB-CE2 4.28Å; I231-F233 HydrophobicContact CB-CZ 3.89Å; I231-F233 HydrophobicContact CG2-CD1 4.19Å; I231-F233 HydrophobicContact CG2-CE1 3.55Å; I231-F233 HydrophobicContact CG2-CE2 4.19Å; I231-F233 HydrophobicContact CG2-CZ 3.52Å; I231-F233 VanDerWaalsContact O-CD2 3.32Å; I231-F233 WeakPolarHBondContact O-CD2 3.16Å; I231-F233 VanDerWaalsContact O-CE2 3.24Å; I231-F233 WeakPolarHBondContact O-CE2 3.47Å; I231-F233 PolarHBondContact O-N 2.87Å; F233-T235 PolarHBondContact O-N 3.15Å; F233-A238 HydrophobicContact CB-CB 4.42Å; F233-A238 HydrophobicContact CD1-CB 3.96Å; F233-A239 HydrophobicContact CB-CB 3.85Å; F233-A239 HydrophobicContact CD2-CB 3.68Å; F233-A239 HydrophobicContact CE2-CB 4.48Å; F233-A239 HydrophobicContact CG-CB 3.76Å; F233-C242 HydrophobicContact CE1-CB 3.63Å; F233-C242 HydrophobicContact CE2-CB 4.22Å; F233-C242 HydrophobicContact CZ-CB 3.43Å; F233-C242 VanDerWaalsContact CZ-CB 3.43Å; F233-C242 WeakPolarHBondContact CZ-SG 3.45Å
234R88.2Confident74.2Confident251 Ų251107.5 Ų107.595%0.94758%0.577SS**SBendtrans-70.8-18.4173.9-69.3-174.9177.4-178.1-0.1113.8Q232Q232-R234 PolarHBondContact O-N 3.08Å
235T93.4Very high76.3Confident78 Ų78107.2 Ų107.248%0.47957%0.566SS.*SBendtrans-136.9142.3-17761.20000110.5F233 L237 A238 A239F233-T235 PolarHBondContact O-N 3.15Å; T235-L237 PolarHBondContact O-N 3Å; T235-A238 PolarHBondContact O-N 2.62Å; T235-A238 VanDerWaalsContact O-N 3.11Å; T235-A238 WeakPolarHBondContact OG1-CB 3.45Å; T235-A238 PolarHBondContact OG1-N 3.41Å; T235-A239 PolarHBondContact O-N 3.33Å
236H90.2Very high78.4Confident163 Ų163110.4 Ų110.476%0.75556%0.564SS**Hα-helixtrans-59.8-33.1175.5-70.2-76000112.4A238 A239 N240H236-A238 PolarHBondContact O-N 3.27Å; H236-A239 PolarHBondContact O-N 2.83Å; H236-N240 WeakPolarHBondContact O-CB 3.24Å; H236-N240 VanDerWaalsContact O-CG 3.24Å; H236-N240 PolarHBondContact O-N 3.07Å; H236-N240 PolarHBondContact O-OD1 3.16Å
237L94.4Very high80.4Confident122 Ų122108.6 Ų108.664%0.63955%0.554SS**Hα-helixtrans-61.2-42.3174.7-177.7151.2000111.9T235 N240 I241T235-L237 PolarHBondContact O-N 3Å; L237-N240 PolarHBondContact O-N 3.17Å; L237-I241 HydrophobicContact CD2-CD1 3.53Å; L237-I241 HydrophobicContact CD2-CG1 4.36Å; L237-I241 HydrophobicContact CG-CD1 4.34Å; L237-I241 WeakPolarHBondContact O-CG1 3.2Å; L237-I241 PolarHBondContact O-N 3.5Å
238A91.2Very high82.2Confident35 Ų35107.2 Ų107.229%0.28954%0.543SS..Hα-helixtrans-68-38.417700000112.1F233 T235 H236 I241 C242F233-A238 HydrophobicContact CB-CB 4.42Å; F233-A238 HydrophobicContact CD1-CB 3.96Å; T235-A238 PolarHBondContact O-N 2.62Å; T235-A238 VanDerWaalsContact O-N 3.11Å; T235-A238 WeakPolarHBondContact OG1-CB 3.45Å; T235-A238 PolarHBondContact OG1-N 3.41Å; H236-A238 PolarHBondContact O-N 3.27Å; A238-I241 PolarHBondContact O-N 2.93Å; A238-C242 WeakPolarHBondContact O-CB 3.43Å; A238-C242 PolarHBondContact O-N 3.43Å
239A89.8Confident83.4Confident20 Ų20112.2 Ų112.217%0.16556%0.556CS.*Hα-helixtrans-62.2-43.7173.500000111.8F233 T235 H236 C242 N243F233-A239 HydrophobicContact CB-CB 3.85Å; F233-A239 HydrophobicContact CD2-CB 3.68Å; F233-A239 HydrophobicContact CE2-CB 4.48Å; F233-A239 HydrophobicContact CG-CB 3.76Å; T235-A239 PolarHBondContact O-N 3.33Å; H236-A239 PolarHBondContact O-N 2.83Å; A239-C242 PolarHBondContact O-N 3.27Å; A239-N243 PolarHBondContact O-N 3.43Å; A239-N243 PolarHBondContact O-ND2 3.49Å
240N90.8Very high84.4Confident97 Ų97110.9 Ų110.952%0.51955%0.554SS.*Hα-helixtrans-66.4-42.7178.5-70.33.3000111.9H236 L237 C242 N243 V244H236-N240 WeakPolarHBondContact O-CB 3.24Å; H236-N240 VanDerWaalsContact O-CG 3.24Å; H236-N240 PolarHBondContact O-N 3.07Å; H236-N240 PolarHBondContact O-OD1 3.16Å; L237-N240 PolarHBondContact O-N 3.17Å; N240-C242 VanDerWaalsContact C-N 3.32Å; N240-C242 PolarHBondContact O-N 3.13Å; N240-N243 PolarHBondContact O-N 2.84Å; N240-V244 WeakPolarHBondContact O-CG2 3.45Å; N240-V244 PolarHBondContact O-N 3.34Å
241I91.8Very high85.3Confident90 Ų90113.2 Ų113.246%0.46256%0.558SS.*Hα-helixtrans-60.6-42.7174-71.7176.5000110.8L237 A238 V244 I245L237-I241 HydrophobicContact CD2-CD1 3.53Å; L237-I241 HydrophobicContact CD2-CG1 4.36Å; L237-I241 HydrophobicContact CG-CD1 4.34Å; L237-I241 WeakPolarHBondContact O-CG1 3.2Å; L237-I241 PolarHBondContact O-N 3.5Å; A238-I241 PolarHBondContact O-N 2.93Å; I241-V244 PolarHBondContact O-N 2.89Å; I241-I245 HydrophobicContact CG2-CD1 3.6Å; I241-I245 HydrophobicContact CG2-CG1 4.39Å; I241-I245 WeakPolarHBondContact O-CB 3.29Å; I241-I245 VanDerWaalsContact O-CG1 3.3Å; I241-I245 WeakPolarHBondContact O-CG1 3.33Å; I241-I245 PolarHBondContact O-N 2.81Å
242C89Confident85.7Confident16 Ų16117.9 Ų117.911%0.10858%0.578CS.*Hα-helixtrans-61.5-46.2175.8-164.80000111.3F233 A238 A239 N240 V244 I245 F246F233-C242 HydrophobicContact CE1-CB 3.63Å; F233-C242 HydrophobicContact CE2-CB 4.22Å; F233-C242 HydrophobicContact CZ-CB 3.43Å; F233-C242 VanDerWaalsContact CZ-CB 3.43Å; F233-C242 WeakPolarHBondContact CZ-SG 3.45Å; A238-C242 WeakPolarHBondContact O-CB 3.43Å; A238-C242 PolarHBondContact O-N 3.43Å; A239-C242 PolarHBondContact O-N 3.27Å; N240-C242 VanDerWaalsContact C-N 3.32Å; N240-C242 PolarHBondContact O-N 3.13Å; C242-V244 PolarHBondContact O-N 2.74Å; C242-I245 PolarHBondContact O-N 3.32Å; C242-F246 HydrophobicContact CB-CD2 4.47Å; C242-F246 WeakPolarHBondContact O-CB 3.38Å; C242-F246 WeakPolarHBondContact O-CD2 3.37Å; C242-F246 PolarHBondContact O-N 3.4Å; C242-F246 VanDerWaalsContact SG-CD2 3.51Å
243N86.8Confident85.7Confident71 Ų71119.3 Ų119.338%0.3858%0.575SS.*Iπ-helixtrans-59.1-47.1176.9-73.9-24.7000112.4A239 N240 I245 N247 E248A239-N243 PolarHBondContact O-N 3.43Å; A239-N243 PolarHBondContact O-ND2 3.49Å; N240-N243 PolarHBondContact O-N 2.84Å; N243-I245 VanDerWaalsContact C-N 3.34Å; N243-I245 PolarHBondContact O-N 3.14Å; N243-N247 CarbonylContact O-C 3.5Å; N243-N247 WeakPolarHBondContact O-CA 3.34Å; N243-N247 WeakPolarHBondContact O-CB 3.25Å; N243-N247 PolarHBondContact O-N 3.28Å; N243-N247 PolarHBondContact OD1-ND2 2.94Å; N243-E248 PolarHBondContact O-N 3.45Å
244V87.7Confident85.9Confident79 Ų79119.2 Ų119.248%0.47958%0.578SS.*Iπ-helixtrans-66.8-32.8179.9173.50000112.6N240 I241 C242N240-V244 WeakPolarHBondContact O-CG2 3.45Å; N240-V244 PolarHBondContact O-N 3.34Å; I241-V244 PolarHBondContact O-N 2.89Å; C242-V244 PolarHBondContact O-N 2.74Å
245I87Confident85.7Confident112 Ų112111.1 Ų111.157%0.57455%0.551SS**Iπ-helixtrans-83.8-39.3-178.3-67.5175000112.6I241 C242 N243I241-I245 HydrophobicContact CG2-CD1 3.6Å; I241-I245 HydrophobicContact CG2-CG1 4.39Å; I241-I245 WeakPolarHBondContact O-CB 3.29Å; I241-I245 VanDerWaalsContact O-CG1 3.3Å; I241-I245 WeakPolarHBondContact O-CG1 3.33Å; I241-I245 PolarHBondContact O-N 2.81Å; C242-I245 PolarHBondContact O-N 3.32Å; N243-I245 VanDerWaalsContact C-N 3.34Å; N243-I245 PolarHBondContact O-N 3.14Å
246F83.9Confident85.5Confident150 Ų150112.3 Ų112.366%0.65855%0.548SS*.Iπ-helixtrans-111.5-30.6-169.4-59.8-77.6000114C242C242-F246 HydrophobicContact CB-CD2 4.47Å; C242-F246 WeakPolarHBondContact O-CB 3.38Å; C242-F246 WeakPolarHBondContact O-CD2 3.37Å; C242-F246 PolarHBondContact O-N 3.4Å; C242-F246 VanDerWaalsContact SG-CD2 3.51Å
247N77.2Confident85.4Confident101 Ų101111.6 Ų111.654%0.5454%0.543SS..Iπ-helixtrans-103-26.4-174.8-64.2-32.4000113.4N243 R249N243-N247 CarbonylContact O-C 3.5Å; N243-N247 WeakPolarHBondContact O-CA 3.34Å; N243-N247 WeakPolarHBondContact O-CB 3.25Å; N243-N247 PolarHBondContact O-N 3.28Å; N243-N247 PolarHBondContact OD1-ND2 2.94Å; N247-R249 PolarHBondContact O-N 3.35Å
248E78.9Confident84.9Confident120 Ų120109.4 Ų109.456%0.56153%0.529SS*.SBendtrans-81.3111.1171.1-68.8-172.5173.600110.5N243 L250N243-E248 PolarHBondContact O-N 3.45Å; E248-L250 PolarHBondContact O-N 3.47Å
249R75.8Confident84.6Confident244 Ų244110.2 Ų110.292%0.92153%0.532SS*.PPolyproline II helixtrans-65.3125165.9-69.8-178.7177.6171.5-2.2108.4N247N247-R249 PolarHBondContact O-N 3.35Å
250L76.3Confident84.3Confident156 Ų156110.8 Ų110.882%0.81754%0.54SS*.PPolyproline II helixtrans-52.1140.1172.6-64175.7000109.9E248 E252E248-L250 PolarHBondContact O-N 3.47Å; L250-E252 PolarHBondContact O-N 3.09Å
251P79.7Confident84.3Confident110 Ų110107.1 Ų107.171%0.71452%0.518SS*.PPolyproline II helixtrans-60.2134.718025-34.1000110.3R253P251-R253 PolarHBondContact O-N 3.41Å; P251-R253 VanDerWaalsContact O-N 3.17Å
252E80.7Confident84.3Confident192 Ų192105.1 Ų105.190%0.89751%0.508SS*.PPolyproline II helixtrans-60.4119-179.9-170.5178.4172.100110.1L250 N254L250-E252 PolarHBondContact O-N 3.09Å; E252-N254 PolarHBondContact O-N 2.96Å
253R82.6Confident84.4Confident217 Ų217106 Ų10682%0.81952%0.516SS*.  trans-86.5108.4178.9-68.6-174.4177.1-167.6-2.3109.1P251 E255P251-R253 PolarHBondContact O-N 3.41Å; P251-R253 VanDerWaalsContact O-N 3.17Å; R253-E255 PolarHBondContact O-N 3.02Å; R253-E255 VanDerWaalsContact O-N 3.09Å
254N87.5Confident84.7Confident79 Ų79109.4 Ų109.442%0.42253%0.525SS..  trans-53.7117.6171171.41.5000109.7E252 Y256 F257E252-N254 PolarHBondContact O-N 2.96Å; N254-Y256 PolarHBondContact O-N 3.1Å; N254-Y256 VanDerWaalsContact O-N 3.15Å; N254-Y256 WeakPolarHBondContact OD1-CD2 3.28Å; N254-Y256 PolarHBondContact OD1-N 3.4Å; N254-F257 HydrophobicContact CB-CD2 3.81Å; N254-F257 HydrophobicContact CB-CE2 3.95Å; N254-F257 WeakPolarHBondContact ND2-CE2 3.43Å; N254-F257 PolarHBondContact O-N 2.87Å
255E86.1Confident84.8Confident82 Ų82112.3 Ų112.338%0.38353%0.527SS..G310 helixtrans-65.3-20.8-170.6-39.1-176.4135.300113.9R253 F257 Q258 R261 K285R253-E255 PolarHBondContact O-N 3.02Å; R253-E255 VanDerWaalsContact O-N 3.09Å; E255-F257 PolarHBondContact O-N 3.39Å; E255-Q258 VanDerWaalsContact O-CB 3.3Å; E255-Q258 WeakPolarHBondContact O-CB 3.45Å; E255-Q258 VanDerWaalsContact O-CG 3.23Å; E255-Q258 WeakPolarHBondContact O-CG 3.38Å; E255-Q258 PolarHBondContact O-N 2.73Å; E255-Q258 PolarHBondContact O-OE1 2.95Å; E255-R261 WeakPolarHBondContact O-CD 3.41Å; E255-R261 IonicContact OE2-CZ 2.63Å; E255-R261 VanDerWaalsContact OE2-CZ 3.26Å; E255-R261 IonicContact OE2-NH1 2.6Å; E255-R261 PolarHBondContact OE2-NH1 3.21Å; E255-R261 IonicContact OE2-NH2 3.76Å; E255-R261 PolarHBondContact OE2-NH2 3.4Å; E255-K285 VanDerWaalsContact CD-CE 3.45Å; E255-K285 VanDerWaalsContact CD-NZ 3.25Å; E255-K285 WeakPolarHBondContact OE1-CE 3.27Å; E255-K285 IonicContact OE1-NZ 2.64Å; E255-K285 PolarHBondContact OE1-NZ 3.23Å; E255-K285 WeakPolarHBondContact OE2-CE 3.48Å; E255-K285 IonicContact OE2-NZ 3.74Å; E255-K285 PolarHBondContact OE2-NZ 3.41Å
256Y88.5Confident84.9Confident103 Ų103111.4 Ų111.440%0.40452%0.522SS..G310 helixtrans-64.8-21.7178.6-61.2-52.8000112.8N254 Q258 M262 I282N254-Y256 PolarHBondContact O-N 3.1Å; N254-Y256 VanDerWaalsContact O-N 3.15Å; N254-Y256 WeakPolarHBondContact OD1-CD2 3.28Å; N254-Y256 PolarHBondContact OD1-N 3.4Å; Y256-Q258 VanDerWaalsContact C-N 3.26Å; Y256-Q258 PolarHBondContact O-N 3.49Å; Y256-M262 WeakPolarHBondContact O-CB 3.43Å; Y256-M262 PolarHBondContact O-N 2.86Å; Y256-I282 HydrophobicContact CD1-CD1 4.14Å; Y256-I282 HydrophobicContact CD1-CG2 3.82Å; Y256-I282 HydrophobicContact CE1-CD1 3.97Å; Y256-I282 HydrophobicContact CE1-CG2 3.86Å
257F88.1Confident84.9Confident148 Ų148109.2 Ų109.265%0.64951%0.514SS*.G310 helixtrans-82.86.1173.6-58.6-60.9000114N254 E255 M262N254-F257 HydrophobicContact CB-CD2 3.81Å; N254-F257 HydrophobicContact CB-CE2 3.95Å; N254-F257 WeakPolarHBondContact ND2-CE2 3.43Å; N254-F257 PolarHBondContact O-N 2.87Å; E255-F257 PolarHBondContact O-N 3.39Å; F257-M262 HydrophobicContact CD1-CE 3.88Å; F257-M262 HydrophobicContact CE1-CE 3.53Å; F257-M262 HydrophobicContact CZ-CE 4.45Å
258Q83.8Confident85.2Confident75 Ų75111.4 Ų111.435%0.3553%0.525SS..SBendtrans-56.6140.2167.4-77.1174.6-31.800110.1E255 Y256 G260 R261E255-Q258 VanDerWaalsContact O-CB 3.3Å; E255-Q258 WeakPolarHBondContact O-CB 3.45Å; E255-Q258 VanDerWaalsContact O-CG 3.23Å; E255-Q258 WeakPolarHBondContact O-CG 3.38Å; E255-Q258 PolarHBondContact O-N 2.73Å; E255-Q258 PolarHBondContact O-OE1 2.95Å; Y256-Q258 VanDerWaalsContact C-N 3.26Å; Y256-Q258 PolarHBondContact O-N 3.49Å; Q258-G260 PolarHBondContact O-N 3.13Å; Q258-R261 HydrophobicContact CB-CB 3.95Å; Q258-R261 WeakPolarHBondContact O-CB 3.33Å; Q258-R261 PolarHBondContact O-N 3.36Å
259P84.3Confident85.2Confident53 Ų53115 Ų11534%0.34454%0.542SS..THydrogen-bonded Turntrans-50.9117.1-178.2-3036.1000112.3R261 I291P259-R261 PolarHBondContact O-N 3.34Å; P259-I291 HydrophobicContact CB-CB 4.1Å; P259-I291 HydrophobicContact CB-CD1 3.95Å; P259-I291 HydrophobicContact CB-CG1 4.48Å; P259-I291 HydrophobicContact CG-CB 4.35Å
260G84.6Confident85.1Confident32 Ų32108.2 Ų108.233%0.3352%0.524SS..THydrogen-bonded Turntrans70.423.2-179.400000115.5Q258 R283 C288Q258-G260 PolarHBondContact O-N 3.13Å; G260-R283 VanDerWaalsContact CA-NH2 3.32Å; G260-R283 PolarHBondContact O-NE 3.38Å; G260-R283 PolarHBondContact O-NH2 2.91Å; G260-C288 PolarHBondContact O-SG 3.13Å; G260-C288 VanDerWaalsContact O-SG 3.36Å
261R89.5Confident84.8Confident20 Ų20109.1 Ų109.18%0.07553%0.53CS..THydrogen-bonded Turntrans-90.6-47.9171.1-174.8155.1166.5-160.2-11.3113.4E255 Q258 P259 I282 R283 C288E255-R261 WeakPolarHBondContact O-CD 3.41Å; E255-R261 IonicContact OE2-CZ 2.63Å; E255-R261 VanDerWaalsContact OE2-CZ 3.26Å; E255-R261 IonicContact OE2-NH1 2.6Å; E255-R261 PolarHBondContact OE2-NH1 3.21Å; E255-R261 IonicContact OE2-NH2 3.76Å; E255-R261 PolarHBondContact OE2-NH2 3.4Å; Q258-R261 HydrophobicContact CB-CB 3.95Å; Q258-R261 WeakPolarHBondContact O-CB 3.33Å; Q258-R261 PolarHBondContact O-N 3.36Å; P259-R261 PolarHBondContact O-N 3.34Å; R261-I282 WeakPolarHBondContact O-CA 3.49Å; R261-R283 PolarHBondContact O-N 2.98Å; R261-C288 VanDerWaalsContact CA-SG 3.52Å
262M92.5Very high84.3Confident48 Ų48106.8 Ų106.824%0.23652%0.516CS..EExtended strand (participates in β ladder)trans-102.2137.9171.8-171.917168.800110.7Y256 F257 Y264 T280Y256-M262 WeakPolarHBondContact O-CB 3.43Å; Y256-M262 PolarHBondContact O-N 2.86Å; F257-M262 HydrophobicContact CD1-CE 3.88Å; F257-M262 HydrophobicContact CE1-CE 3.53Å; F257-M262 HydrophobicContact CZ-CE 4.45Å; M262-Y264 HydrophobicContact CE-CE2 4.4Å; M262-Y264 WeakPolarHBondContact CE-OH 3.49Å; M262-T280 HydrophobicContact CG-CG2 3.65Å; M262-T280 HydrophobicContact SD-CG2 3.81Å
263A91.9Very high83.6Confident35 Ų3599.6 Ų99.629%0.28949%0.485SS..EExtended strand (participates in β ladder)trans-140.2156.6172.800000110V281A263-V281 PolarHBondContact N-O 2.99Å; A263-V281 PolarHBondContact O-N 2.69Å
264Y92.6Very high83Confident142 Ų14296.5 Ų96.556%0.55749%0.485SS*.EExtended strand (participates in β ladder)trans-108130.3173.3-61.5-75.4000109.6M262 P278 T280M262-Y264 HydrophobicContact CE-CE2 4.4Å; M262-Y264 WeakPolarHBondContact CE-OH 3.49Å; Y264-P278 HydrophobicContact CD1-CB 4.25Å; Y264-P278 HydrophobicContact CG-CB 4.49Å; Y264-T280 HydrophobicContact CD1-CG2 4.49Å; Y264-T280 HydrophobicContact CE1-CG2 4.14Å; Y264-T280 VanDerWaalsContact CE1-OG1 3.3Å; Y264-T280 WeakPolarHBondContact CE1-OG1 3.03Å
265R90.1Very high82.3Confident139 Ų139102 Ų10253%0.52551%0.505SS..EExtended strand (participates in β ladder)trans-102.5115.2173.2179.1168.8176.5-89.8-10.8107.9E267 A279 V281R265-E267 IonicContact CZ-OE1 2.66Å; R265-E267 IonicContact NH1-OE1 2.79Å; R265-E267 PolarHBondContact NH1-OE1 3.36Å; R265-E267 IonicContact NH2-OE1 2.69Å; R265-E267 PolarHBondContact NH2-OE1 3.02Å; R265-A279 HydrophobicContact CB-CB 4.37Å; R265-A279 PolarHBondContact N-O 2.91Å; R265-A279 PolarHBondContact O-N 3.37Å; R265-V281 HydrophobicContact CB-CG2 4.06Å
266I88.7Confident82Confident93 Ų93104.2 Ų104.248%0.47752%0.516SS..  trans-108.2124.3176-58.7171.2000106L268 V273 P278I266-L268 HydrophobicContact CG2-CD2 3.79Å; I266-L268 HydrophobicContact CG2-CG 4.38Å; I266-V273 HydrophobicContact CG2-CG1 3.46Å; I266-V273 VanDerWaalsContact CG2-CG1 3.46Å; I266-P278 HydrophobicContact CD1-CG 4.33Å; I266-P278 HydrophobicContact CG1-CB 3.81Å; I266-P278 HydrophobicContact CG1-CG 3.95Å
267E83.9Confident81.7Confident105 Ų105105.5 Ų105.549%0.49153%0.534SS..  trans-88.9120.8172.5-61.4-168.6173.200107.7R265 V273R265-E267 IonicContact CZ-OE1 2.66Å; R265-E267 IonicContact NH1-OE1 2.79Å; R265-E267 PolarHBondContact NH1-OE1 3.36Å; R265-E267 IonicContact NH2-OE1 2.69Å; R265-E267 PolarHBondContact NH2-OE1 3.02Å; E267-V273 WeakPolarHBondContact O-CG1 3.49Å; E267-V273 WeakPolarHBondContact O-CG2 3.37Å
268L83.4Confident81.6Confident146 Ų146101 Ų10176%0.76452%0.52SS*.  trans-100.76.7-173-64.2172.7000113.1I266 V273I266-L268 HydrophobicContact CG2-CD2 3.79Å; I266-L268 HydrophobicContact CG2-CG 4.38Å; L268-V273 HydrophobicContact CD2-CG1 4.5Å
269E79.5Confident81.8Confident195 Ų19599.9 Ų99.991%0.91152%0.523SS*.SBendtrans-92.9-18.3-173.7-64.8-174.6178.900113.6
270D73.1Confident82.3Confident103 Ų103101 Ų10155%0.55153%0.529SS*.SBendtrans-99.8127.6177.2-106.6-20.6000110.1S272 V273D270-S272 PolarHBondContact O-N 3.28Å; D270-V273 WeakPolarHBondContact O-CG2 3.4Å; D270-V273 PolarHBondContact O-N 3.34Å
271D70.4Confident82.6Confident175 Ų175102.5 Ų102.594%0.93653%0.532SS*.THydrogen-bonded Turntrans-632.4178.5-67.1-40.5000114
272S68.5Low82.7Confident61 Ų61105.8 Ų105.843%0.42755%0.55SS.*THydrogen-bonded Turntrans-95.95.2175.746.20000115.5D270 D274 F275D270-S272 PolarHBondContact O-N 3.28Å; S272-D274 PolarHBondContact O-N 3.06Å; S272-F275 PolarHBondContact O-N 3.14Å; S272-F275 VanDerWaalsContact O-N 3.13Å
273V65.3Low82.6Confident41 Ų41109 Ų10925%0.24856%0.56CS.*G310 helixtrans-50.3-36.8-177.2-153.80000113.5I266 E267 L268 D270 F275 E276I266-V273 HydrophobicContact CG2-CG1 3.46Å; I266-V273 VanDerWaalsContact CG2-CG1 3.46Å; E267-V273 WeakPolarHBondContact O-CG1 3.49Å; E267-V273 WeakPolarHBondContact O-CG2 3.37Å; L268-V273 HydrophobicContact CD2-CG1 4.5Å; D270-V273 WeakPolarHBondContact O-CG2 3.4Å; D270-V273 PolarHBondContact O-N 3.34Å; V273-F275 PolarHBondContact O-N 3.01Å; V273-E276 PolarHBondContact O-N 3.39Å; V273-E276 VanDerWaalsContact O-N 3.15Å
274D71.1Confident82.4Confident152 Ų152109.7 Ų109.781%0.81356%0.562SS**G310 helixtrans-60.4-18.5-175.2-71.5-17.7000114.3S272S272-D274 PolarHBondContact O-N 3.06Å
275F72Confident82.1Confident194 Ų194108 Ų10885%0.85156%0.558SS**G310 helixtrans-112.7-5.1-179.6-62.5-78.7000114.1S272 V273S272-F275 PolarHBondContact O-N 3.14Å; S272-F275 VanDerWaalsContact O-N 3.13Å; V273-F275 PolarHBondContact O-N 3.01Å
276E79.8Confident81.6Confident128 Ų128106.6 Ų106.660%0.59857%0.569SS**SBendtrans-95.3137.1-176.2-170.6163.9-175.100112.4V273 P278V273-E276 PolarHBondContact O-N 3.39Å; V273-E276 VanDerWaalsContact O-N 3.15Å; E276-P278 WeakPolarHBondContact O-CD 3.37Å
277V81.7Confident81.1Confident130 Ų130107.5 Ų107.579%0.78858%0.575SS**PPolyproline II helixtrans-76.2119.9177.6179.10000109.1A279V277-A279 PolarHBondContact O-N 2.98Å
278P86.9Confident80.5Confident54 Ų54103.1 Ų103.135%0.35156%0.556SS.*PPolyproline II helixtrans-55.2130-177.7-29.937.6000113.4Y264 I266 E276 T280Y264-P278 HydrophobicContact CD1-CB 4.25Å; Y264-P278 HydrophobicContact CG-CB 4.49Å; I266-P278 HydrophobicContact CD1-CG 4.33Å; I266-P278 HydrophobicContact CG1-CB 3.81Å; I266-P278 HydrophobicContact CG1-CG 3.95Å; E276-P278 WeakPolarHBondContact O-CD 3.37Å; P278-T280 PolarHBondContact O-N 2.89Å
279A88.6Confident79.8Confident52 Ų52103.5 Ų103.543%0.4356%0.558SS.*EExtended strand (participates in β ladder)trans-64.5118.9-178.800000110.5R265 V277R265-A279 HydrophobicContact CB-CB 4.37Å; R265-A279 PolarHBondContact N-O 2.91Å; R265-A279 PolarHBondContact O-N 3.37Å; V277-A279 PolarHBondContact O-N 2.98Å
280T93.4Very high79Confident75 Ų7599.3 Ų99.346%0.4654%0.538SS..EExtended strand (participates in β ladder)trans-82.9120.1-179.3-54.90000110.3M262 Y264 P278 I282M262-T280 HydrophobicContact CG-CG2 3.65Å; M262-T280 HydrophobicContact SD-CG2 3.81Å; Y264-T280 HydrophobicContact CD1-CG2 4.49Å; Y264-T280 HydrophobicContact CE1-CG2 4.14Å; Y264-T280 VanDerWaalsContact CE1-OG1 3.3Å; Y264-T280 WeakPolarHBondContact CE1-OG1 3.03Å; P278-T280 PolarHBondContact O-N 2.89Å; T280-I282 HydrophobicContact CG2-CG1 4.32Å
281V91.7Very high78.3Confident65 Ų65100.7 Ų100.739%0.39454%0.544SS..EExtended strand (participates in β ladder)trans-104.8122.2177.9-178.40000109.1A263 R265A263-V281 PolarHBondContact N-O 2.99Å; A263-V281 PolarHBondContact O-N 2.69Å; R265-V281 HydrophobicContact CB-CG2 4.06Å
282I92.4Very high77.4Confident89 Ų8996.6 Ų96.646%0.45652%0.522SS..EExtended strand (participates in β ladder)trans-111.1119.6178.7-57.3175.1000108.9Y256 R261 T280Y256-I282 HydrophobicContact CD1-CD1 4.14Å; Y256-I282 HydrophobicContact CD1-CG2 3.82Å; Y256-I282 HydrophobicContact CE1-CD1 3.97Å; Y256-I282 HydrophobicContact CE1-CG2 3.86Å; R261-I282 WeakPolarHBondContact O-CA 3.49Å; T280-I282 HydrophobicContact CG2-CG1 4.32Å
283R89.6Confident76.6Confident115 Ų11596.1 Ų96.143%0.43453%0.528SS..  trans-85.6157.1173.5-69.5-167.4-74.4-109.510.4111.5G260 R261G260-R283 VanDerWaalsContact CA-NH2 3.32Å; G260-R283 PolarHBondContact O-NE 3.38Å; G260-R283 PolarHBondContact O-NH2 2.91Å; R261-R283 PolarHBondContact O-N 2.98Å
284S88.4Confident76.1Confident49 Ų49105.8 Ų105.834%0.34356%0.56SS.*  trans-69.4156.117689.60000111S286 D287 C288S284-S286 PolarHBondContact O-N 2.94Å; S284-S286 VanDerWaalsContact O-N 3.13Å; S284-S286 PolarHBondContact OG-N 2.78Å; S284-D287 VanDerWaalsContact CB-OD2 3.26Å; S284-D287 WeakPolarHBondContact CB-OD2 3.5Å; S284-D287 PolarHBondContact O-N 2.91Å; S284-D287 PolarHBondContact OG-N 3.17Å; S284-D287 PolarHBondContact OG-OD2 2.86Å; S284-C288 PolarHBondContact O-N 3.45Å; S284-C288 PolarHBondContact O-SG 2.91Å
285K84.8Confident74.8Confident106 Ų10699.9 Ų99.946%0.46153%0.534SS..THydrogen-bonded Turntrans-53.8-29.6172.9-74.5-180173.2-177.60112.9E255E255-K285 VanDerWaalsContact CD-CE 3.45Å; E255-K285 VanDerWaalsContact CD-NZ 3.25Å; E255-K285 WeakPolarHBondContact OE1-CE 3.27Å; E255-K285 IonicContact OE1-NZ 2.64Å; E255-K285 PolarHBondContact OE1-NZ 3.23Å; E255-K285 WeakPolarHBondContact OE2-CE 3.48Å; E255-K285 IonicContact OE2-NZ 3.74Å; E255-K285 PolarHBondContact OE2-NZ 3.41Å
286S80.1Confident73.8Confident110 Ų11097.4 Ų97.477%0.76954%0.535SS*.THydrogen-bonded Turntrans-80.7-31.7-176-46.70000113S284S284-S286 PolarHBondContact O-N 2.94Å; S284-S286 VanDerWaalsContact O-N 3.13Å; S284-S286 PolarHBondContact OG-N 2.78Å
287D78Confident72.5Confident112 Ų11294.8 Ų94.860%0.59954%0.542SS*.THydrogen-bonded Turntrans-88.7-10.3-176-51.1-47.4000112.6S284 L289S284-D287 VanDerWaalsContact CB-OD2 3.26Å; S284-D287 WeakPolarHBondContact CB-OD2 3.5Å; S284-D287 PolarHBondContact O-N 2.91Å; S284-D287 PolarHBondContact OG-N 3.17Å; S284-D287 PolarHBondContact OG-OD2 2.86Å; D287-L289 PolarHBondContact O-N 3.38Å
288C72.4Confident71.1Confident14 Ų1491 Ų9110%0.09553%0.525CS..SBendtrans-80.1116.2173.4-58.40000109.3G260 R261 S284 Q290G260-C288 PolarHBondContact O-SG 3.13Å; G260-C288 VanDerWaalsContact O-SG 3.36Å; R261-C288 VanDerWaalsContact CA-SG 3.52Å; S284-C288 PolarHBondContact O-N 3.45Å; S284-C288 PolarHBondContact O-SG 2.91Å; C288-Q290 PolarHBondContact O-N 2.97Å
289L67.5Low70Confident154 Ų15494.6 Ų94.681%0.80654%0.54SS*.  trans-56.6115.9166.9-66.3175.3000108.4D287 I291D287-L289 PolarHBondContact O-N 3.38Å; L289-I291 VanDerWaalsContact C-N 3.29Å; L289-I291 PolarHBondContact O-N 2.95Å
290Q62.8Low69.4Low106 Ų10695 Ų9550%0.49554%0.537SS..  trans-71.385.6-178.3-64.7-176.120.200110.1C288 D292 G295C288-Q290 PolarHBondContact O-N 2.97Å; Q290-D292 PolarHBondContact O-N 3.47Å; Q290-G295 VanDerWaalsContact OE1-CA 3.26Å; Q290-G295 PolarHBondContact OE1-O 3.41Å
291I58.2Low68.8Low132 Ų13296.7 Ų96.768%0.67755%0.548SS*.  trans-65.5-29.5172.4-68.5169.8000110.3P259 L289 G293P259-I291 HydrophobicContact CB-CB 4.1Å; P259-I291 HydrophobicContact CB-CD1 3.95Å; P259-I291 HydrophobicContact CB-CG1 4.48Å; P259-I291 HydrophobicContact CG-CB 4.35Å; L289-I291 VanDerWaalsContact C-N 3.29Å; L289-I291 PolarHBondContact O-N 2.95Å; I291-G293 VanDerWaalsContact C-N 3.29Å; I291-G293 PolarHBondContact O-N 3.34Å
292D52.3Low68.5Low89 Ų8999 Ų9948%0.47656%0.558SS.*SBendtrans-67.589.1162.5-68.7-11.6000108.6Q290 R294Q290-D292 PolarHBondContact O-N 3.47Å; D292-R294 PolarHBondContact O-N 2.95Å
293G51.9Low68.1Low52 Ų5299.1 Ų99.154%0.53656%0.556SS.*THydrogen-bonded Turntrans-67.547.4-177.200000115I291I291-G293 VanDerWaalsContact C-N 3.29Å; I291-G293 PolarHBondContact O-N 3.34Å
294R54.3Low67.9Low244 Ų24497.1 Ų97.192%0.92155%0.554SS**THydrogen-bonded Turntrans-126.8-13-175.2-122.1173.7-179.4-164.8-2.8113.4D292D292-R294 PolarHBondContact O-N 2.95Å
295G44.5Very low68.2Low27 Ų2798.6 Ų98.628%0.27856%0.56SS.*SBendtrans-108.8126.7166.200000110.8Q290 G297Q290-G295 VanDerWaalsContact OE1-CA 3.26Å; Q290-G295 PolarHBondContact OE1-O 3.41Å; G295-G297 PolarHBondContact O-N 2.88Å
296T49.5Very low68.5Low143 Ų14398.2 Ų98.288%0.87756%0.562SS**SBendtrans58.8-21.8162.1420000121.1
297G53.5Low69Low72 Ų7298 Ų9874%0.74255%0.552SS**SBendtrans-103.5-26.3-165.600000117.7G295G295-G297 PolarHBondContact O-N 2.88Å
298A52.3Low69.7Low52 Ų5298.6 Ų98.643%0.4355%0.55SS..  trans-134.866.7-168.500000112.3T300A298-T300 VanDerWaalsContact C-N 3.3Å; A298-T300 PolarHBondContact O-N 2.81Å
299I64Low70.8Confident128 Ų128102.3 Ų102.366%0.65657%0.568SS**  trans-62.598.7162-68.2172.5000106.8I304I299-I304 HydrophobicContact CG2-CD1 3.99Å; I299-I304 HydrophobicContact CG2-CG1 3.41Å; I299-I304 VanDerWaalsContact CG2-CG1 3.41Å
300T75.7Confident72Confident62 Ų6299 Ų9938%0.3855%0.554SS.*  trans-68.4152.2-176.461.40000109.9A298 N302 E303 I304A298-T300 VanDerWaalsContact C-N 3.3Å; A298-T300 PolarHBondContact O-N 2.81Å; T300-N302 PolarHBondContact O-N 3.35Å; T300-N302 VanDerWaalsContact O-N 3.12Å; T300-E303 PolarHBondContact N-OE2 2.98Å; T300-E303 PolarHBondContact O-N 3.18Å; T300-E303 WeakPolarHBondContact OG1-CG 3.49Å; T300-E303 PolarHBondContact OG1-N 2.69Å; T300-E303 VanDerWaalsContact OG1-N 3.13Å; T300-E303 PolarHBondContact OG1-OE2 3.2Å; T300-E303 VanDerWaalsContact OG1-OE2 3.05Å; T300-I304 WeakPolarHBondContact O-CG1 2.97Å; T300-I304 PolarHBondContact O-N 2.66Å
301T81.3Confident73.4Confident110 Ų11098.8 Ų98.868%0.67555%0.554SS**Hα-helixtrans-53.5-33.9172.739.80000111.8I304 V305T301-I304 PolarHBondContact O-N 3.41Å; T301-V305 WeakPolarHBondContact O-CB 3.12Å; T301-V305 VanDerWaalsContact O-CG2 3.27Å; T301-V305 WeakPolarHBondContact O-CG2 3.48Å; T301-V305 PolarHBondContact O-N 3.28Å
302N85.4Confident75Confident113 Ų11396.9 Ų96.960%0.60454%0.544SS*.Hα-helixtrans-62.7-46173.3-66.2-23000112.4T300 V305 I306T300-N302 PolarHBondContact O-N 3.35Å; T300-N302 VanDerWaalsContact O-N 3.12Å; N302-V305 PolarHBondContact O-N 2.66Å; N302-I306 WeakPolarHBondContact O-CB 3.33Å; N302-I306 WeakPolarHBondContact O-CD1 3.41Å; N302-I306 WeakPolarHBondContact O-CG1 3.44Å; N302-I306 PolarHBondContact O-N 2.79Å
303E83.4Confident76.9Confident91 Ų9197.9 Ų97.943%0.42555%0.548SS..Hα-helixtrans-65.7-37.1175.8-74.9165.7140.100112.7T300 V305 I306 N307T300-E303 PolarHBondContact N-OE2 2.98Å; T300-E303 PolarHBondContact O-N 3.18Å; T300-E303 WeakPolarHBondContact OG1-CG 3.49Å; T300-E303 PolarHBondContact OG1-N 2.69Å; T300-E303 VanDerWaalsContact OG1-N 3.13Å; T300-E303 PolarHBondContact OG1-OE2 3.2Å; T300-E303 VanDerWaalsContact OG1-OE2 3.05Å; E303-V305 VanDerWaalsContact C-N 3.32Å; E303-V305 PolarHBondContact O-N 3.08Å; E303-I306 PolarHBondContact O-N 3.03Å; E303-N307 VanDerWaalsContact O-CB 3.31Å; E303-N307 WeakPolarHBondContact O-CB 3.4Å; E303-N307 VanDerWaalsContact O-CG 3.28Å; E303-N307 PolarHBondContact O-N 3.49Å; E303-N307 PolarHBondContact O-ND2 3.17Å
304I86.5Confident78.6Confident74 Ų7498.4 Ų98.438%0.37954%0.544SS..Hα-helixtrans-60.7-45.6172.5-57.4175.3000110.1I299 T300 T301 K308I299-I304 HydrophobicContact CG2-CD1 3.99Å; I299-I304 HydrophobicContact CG2-CG1 3.41Å; I299-I304 VanDerWaalsContact CG2-CG1 3.41Å; T300-I304 WeakPolarHBondContact O-CG1 2.97Å; T300-I304 PolarHBondContact O-N 2.66Å; T301-I304 PolarHBondContact O-N 3.41Å; I304-K308 HydrophobicContact CG2-CD 4.24Å; I304-K308 WeakPolarHBondContact O-CB 3.43Å; I304-K308 WeakPolarHBondContact O-CG 3.32Å; I304-K308 PolarHBondContact O-N 3.4Å
305V93.8Very high80.2Confident80 Ų8094.3 Ų94.349%0.48553%0.529SS..Hα-helixtrans-64.7-44.6178.4168.80000110.9T301 N302 E303 K308 L309T301-V305 WeakPolarHBondContact O-CB 3.12Å; T301-V305 VanDerWaalsContact O-CG2 3.27Å; T301-V305 WeakPolarHBondContact O-CG2 3.48Å; T301-V305 PolarHBondContact O-N 3.28Å; N302-V305 PolarHBondContact O-N 2.66Å; E303-V305 VanDerWaalsContact C-N 3.32Å; E303-V305 PolarHBondContact O-N 3.08Å; V305-K308 PolarHBondContact O-N 3.38Å; V305-L309 HydrophobicContact CG1-CD1 3.75Å; V305-L309 HydrophobicContact CG1-CG 4.27Å; V305-L309 WeakPolarHBondContact O-CB 3.36Å; V305-L309 VanDerWaalsContact O-CG 3.26Å; V305-L309 WeakPolarHBondContact O-CG 3.48Å; V305-L309 PolarHBondContact O-N 3.37Å
306I91.4Very high82.2Confident97 Ų9798.8 Ų98.850%0.49755%0.547SS..Hα-helixtrans-61.8-46.4177.1-70.3161.9000111N302 E303 K308 L309 T310N302-I306 WeakPolarHBondContact O-CB 3.33Å; N302-I306 WeakPolarHBondContact O-CD1 3.41Å; N302-I306 WeakPolarHBondContact O-CG1 3.44Å; N302-I306 PolarHBondContact O-N 2.79Å; E303-I306 PolarHBondContact O-N 3.03Å; I306-K308 PolarHBondContact O-N 2.97Å; I306-L309 PolarHBondContact O-N 3.22Å; I306-T310 WeakPolarHBondContact O-CB 3.3Å; I306-T310 PolarHBondContact O-N 3.3Å; I306-T310 PolarHBondContact O-OG1 3.15Å
307N91.2Very high83.8Confident106 Ų106103.4 Ų103.457%0.56755%0.548SS*.Hα-helixtrans-64.7-41.9178.9-73.3-24.8000111.5E303 T310 Q311E303-N307 VanDerWaalsContact O-CB 3.31Å; E303-N307 WeakPolarHBondContact O-CB 3.4Å; E303-N307 VanDerWaalsContact O-CG 3.28Å; E303-N307 PolarHBondContact O-N 3.49Å; E303-N307 PolarHBondContact O-ND2 3.17Å; N307-T310 PolarHBondContact O-N 3.1Å; N307-Q311 WeakPolarHBondContact O-CB 3.47Å; N307-Q311 PolarHBondContact O-N 2.82Å
308K92.5Very high84.8Confident125 Ų125102.5 Ų102.554%0.54353%0.533SS..Hα-helixtrans-63.5-43.8173.5-76.8-176.2177.3-174.80112.5I304 V305 I306 Q311 I312I304-K308 HydrophobicContact CG2-CD 4.24Å; I304-K308 WeakPolarHBondContact O-CB 3.43Å; I304-K308 WeakPolarHBondContact O-CG 3.32Å; I304-K308 PolarHBondContact O-N 3.4Å; V305-K308 PolarHBondContact O-N 3.38Å; I306-K308 PolarHBondContact O-N 2.97Å; K308-Q311 PolarHBondContact O-N 2.76Å; K308-I312 WeakPolarHBondContact O-CB 3.39Å; K308-I312 WeakPolarHBondContact O-CD1 3.24Å; K308-I312 VanDerWaalsContact O-CG1 3.25Å; K308-I312 WeakPolarHBondContact O-CG1 3.44Å; K308-I312 PolarHBondContact O-N 3.14Å
309L94.7Very high85.1Confident92 Ų92101.7 Ų101.748%0.48253%0.53SS..Hα-helixtrans-64.4-43.1177-74.1172.5000111.3V305 I306 Q311 I312 L313V305-L309 HydrophobicContact CG1-CD1 3.75Å; V305-L309 HydrophobicContact CG1-CG 4.27Å; V305-L309 WeakPolarHBondContact O-CB 3.36Å; V305-L309 VanDerWaalsContact O-CG 3.26Å; V305-L309 WeakPolarHBondContact O-CG 3.48Å; V305-L309 PolarHBondContact O-N 3.37Å; I306-L309 PolarHBondContact O-N 3.22Å; L309-Q311 VanDerWaalsContact C-N 3.3Å; L309-Q311 PolarHBondContact O-N 3.13Å; L309-I312 PolarHBondContact O-N 2.84Å; L309-L313 VanDerWaalsContact O-CB 3.31Å; L309-L313 WeakPolarHBondContact O-CB 3.34Å; L309-L313 WeakPolarHBondContact O-CG 3.38Å; L309-L313 PolarHBondContact O-N 2.74Å
310T92.9Very high84.8Confident84 Ų84105.7 Ų105.752%0.51554%0.543SS..Hα-helixtrans-59-42.2175.5-53.80000111.2I306 N307 L313 S314I306-T310 WeakPolarHBondContact O-CB 3.3Å; I306-T310 PolarHBondContact O-N 3.3Å; I306-T310 PolarHBondContact O-OG1 3.15Å; N307-T310 PolarHBondContact O-N 3.1Å; T310-L313 PolarHBondContact O-N 3.3Å; T310-S314 PolarHBondContact O-N 3.22Å
311Q91.4Very high84Confident102 Ų102113.4 Ų113.448%0.47757%0.565SS.*Hα-helixtrans-67.3-43175.2-169.5-178.628.400112.7N307 K308 L309 L313 S314 Y315N307-Q311 WeakPolarHBondContact O-CB 3.47Å; N307-Q311 PolarHBondContact O-N 2.82Å; K308-Q311 PolarHBondContact O-N 2.76Å; L309-Q311 VanDerWaalsContact C-N 3.3Å; L309-Q311 PolarHBondContact O-N 3.13Å; Q311-L313 VanDerWaalsContact C-N 3.33Å; Q311-L313 PolarHBondContact O-N 3.23Å; Q311-S314 PolarHBondContact O-N 2.81Å; Q311-S314 PolarHBondContact O-OG 3.43Å; Q311-Y315 HydrophobicContact CG-CD2 4Å; Q311-Y315 HydrophobicContact CG-CE2 3.57Å; Q311-Y315 WeakPolarHBondContact O-CD2 3.48Å; Q311-Y315 PolarHBondContact O-N 2.91Å
312I92.5Very high82.6Confident91 Ų91115.9 Ų115.947%0.46757%0.569SS.*Hα-helixtrans-62.1-42.6175.4-70.9163.6000110.6K308 L309 Y315 L316K308-I312 WeakPolarHBondContact O-CB 3.39Å; K308-I312 WeakPolarHBondContact O-CD1 3.24Å; K308-I312 VanDerWaalsContact O-CG1 3.25Å; K308-I312 WeakPolarHBondContact O-CG1 3.44Å; K308-I312 PolarHBondContact O-N 3.14Å; L309-I312 PolarHBondContact O-N 2.84Å; I312-Y315 PolarHBondContact O-N 3.42Å; I312-L316 HydrophobicContact CG2-CD1 3.87Å; I312-L316 WeakPolarHBondContact O-CB 3.32Å; I312-L316 WeakPolarHBondContact O-CG 3.35Å; I312-L316 PolarHBondContact O-N 2.89Å
313L91.6Very high81.1Confident110 Ų110115 Ų11558%0.57658%0.576SS**Hα-helixtrans-67.7-35.3177.3-70.7170.9000112.1L309 T310 Q311 L316 R317L309-L313 VanDerWaalsContact O-CB 3.31Å; L309-L313 WeakPolarHBondContact O-CB 3.34Å; L309-L313 WeakPolarHBondContact O-CG 3.38Å; L309-L313 PolarHBondContact O-N 2.74Å; T310-L313 PolarHBondContact O-N 3.3Å; Q311-L313 VanDerWaalsContact C-N 3.33Å; Q311-L313 PolarHBondContact O-N 3.23Å; L313-L316 HydrophobicContact CD2-CD1 4.37Å; L313-L316 PolarHBondContact O-N 3.01Å; L313-R317 WeakPolarHBondContact O-CB 3.31Å; L313-R317 PolarHBondContact O-N 3.26Å
314S88.1Confident79.5Confident63 Ų63120.2 Ų120.244%0.44160%0.598SS.*Hα-helixtrans-67.1-40.6173.675.60000111.7T310 Q311 R317 A318T310-S314 PolarHBondContact O-N 3.22Å; Q311-S314 PolarHBondContact O-N 2.81Å; Q311-S314 PolarHBondContact O-OG 3.43Å; S314-R317 PolarHBondContact O-N 3.32Å; S314-A318 VanDerWaalsContact O-CB 3.32Å; S314-A318 WeakPolarHBondContact O-CB 3.49Å; S314-A318 PolarHBondContact O-N 3.44Å
315Y87.3Confident77.5Confident158 Ų158126.7 Ų126.762%0.6262%0.623SS**Hα-helixtrans-65.3-39.5172.7-73.4-54.3000113Q311 I312 G319Q311-Y315 HydrophobicContact CG-CD2 4Å; Q311-Y315 HydrophobicContact CG-CE2 3.57Å; Q311-Y315 WeakPolarHBondContact O-CD2 3.48Å; Q311-Y315 PolarHBondContact O-N 2.91Å; I312-Y315 PolarHBondContact O-N 3.42Å; Y315-G319 PolarHBondContact O-N 2.78Å
316L87.6Confident75.2Confident122 Ų122127.4 Ų127.464%0.63964%0.637SS**Hα-helixtrans-64.3-42.2173.6-77.7164.5000111.8I312 L313 G319I312-L316 HydrophobicContact CG2-CD1 3.87Å; I312-L316 WeakPolarHBondContact O-CB 3.32Å; I312-L316 WeakPolarHBondContact O-CG 3.35Å; I312-L316 PolarHBondContact O-N 2.89Å; L313-L316 HydrophobicContact CD2-CD1 4.37Å; L313-L316 PolarHBondContact O-N 3.01Å; L316-G319 PolarHBondContact O-N 3.29Å
317R83.2Confident72.8Confident240 Ų240132.5 Ų132.591%0.90666%0.656SS**Hα-helixtrans-70.4-37.9179.8-168176.1-168.11703.6112.8L313 S314 G319L313-R317 WeakPolarHBondContact O-CB 3.31Å; L313-R317 PolarHBondContact O-N 3.26Å; S314-R317 PolarHBondContact O-N 3.32Å; R317-G319 VanDerWaalsContact C-N 3.32Å
318A74.7Confident70.6Confident52 Ų52135.8 Ų135.843%0.4367%0.673SS.*Hα-helixtrans-69.4-32.4171.500000112S314S314-A318 VanDerWaalsContact O-CB 3.32Å; S314-A318 WeakPolarHBondContact O-CB 3.49Å; S314-A318 PolarHBondContact O-N 3.44Å
319G58.6Low68.1Low36 Ų36140.3 Ų140.337%0.37169%0.692SS.*G310 helixtrans64.9-178.6178.700000113.8Y315 L316 R317 R321Y315-G319 PolarHBondContact O-N 2.78Å; L316-G319 PolarHBondContact O-N 3.29Å; R317-G319 VanDerWaalsContact C-N 3.32Å; G319-R321 PolarHBondContact O-N 3.4Å
320K58.2Low65.4Low212 Ų212139.2 Ų139.292%0.92270%0.703SS**G310 helixtrans-68.219.9-179.6-86.6177.2171.4173.10115H322K320-H322 PolarHBondContact O-N 2.88Å
321R57Low62.9Low223 Ų223147 Ų14784%0.84272%0.723SS**G310 helixtrans-82.4-10.6-162.5-57.4-168.796.1163.83.7115.9G319G319-R321 PolarHBondContact O-N 3.4Å
322H52.7Low60.5Low163 Ų163148.9 Ų148.976%0.75574%0.741SS**G310 helixtrans-94.9-5.9-177.1-71.2-81.2000116.1K320 K324K320-H322 PolarHBondContact O-N 2.88Å; H322-K324 VanDerWaalsContact C-N 3.28Å; H322-K324 PolarHBondContact O-N 3.31Å
323A54.3Low58Low93 Ų93149 Ų14977%0.76976%0.756SS**THydrogen-bonded Turntrans-78.65.9-174.900000116.1
324K49.9Very low55.8Low202 Ų202151.7 Ų151.788%0.87877%0.771SS**THydrogen-bonded Turntrans-130.37.9-171.8-70.9-166.3175.6-173.50116.9H322H322-K324 VanDerWaalsContact C-N 3.28Å; H322-K324 PolarHBondContact O-N 3.31Å
325K44.1Very low53.5Low210 Ų210159.8 Ų159.891%0.91379%0.792SS**SBendtrans-124.662.1172.9-78.9-169.1172.6-174.80112
326A44.9Very low51.3Low94 Ų94157.4 Ų157.478%0.77780%0.798SS**SBendtrans-138.81917500000113.3
327K40.9Very low49.1Very low204 Ų204159.6 Ų159.689%0.88781%0.805SS**SBendtrans-140.242.8-177.4-68.7-165175.2-170.70113.3
328L44.9Very low47.1Very low176 Ų176156.5 Ų156.592%0.92180%0.799SS**  trans-157.556174-15274.8000115.7
329K41.2Very low45.3Very low219 Ų219159.9 Ų159.995%0.95281%0.81SS**  trans-157.7102.2150.3-136.3175.2-178-1770109.8
330G37.8Very low44.7Very low69 Ų69166.8 Ų166.871%0.71183%0.826SS**  trans-137.5159.4172.600000109.7
331R39.6Very low44.3Very low248 Ų248164.3 Ų164.394%0.93682%0.817SS**  trans77.290-177-50.9-178.6-179.8-162.1-0.7116
332V42Very low43.5Very low142 Ų142158 Ų15886%0.86180%0.8SS**  -162.596.7114178.10000103.2
333A40.4Very low43.3Very low94 Ų94158 Ų15878%0.77781%0.806SS**  7185.180.900000114.1
334D44.5Very low42.9Very low165 Ų165164.1 Ų164.188%0.88281%0.809SS**  -148.4158124.5-155.3-3.2000109.8
335R40.1Very low42.4Very low234 Ų234162.7 Ų162.788%0.88381%0.805SS**  trans-160103.7-160.6-172.9-168.3-171.2-1641.5114.9
336S40.9Very low42.5Very low108 Ų108160.2 Ų160.276%0.75580%0.801SS**  trans-179.8152.5161.446.60000107.8
337E41.8Very low42.5Very low167 Ų167161.8 Ų161.878%0.7880%0.801SS**  cis-153.2149.7-7.6-149.5152.5178.600109
338F39.7Very low42.6Very low176 Ų176160.8 Ų160.877%0.77280%0.799SS**  trans18.9153.8156.6-74.3-121000122.2
339D37Very low42.5Very low123 Ų123161.8 Ų161.866%0.65880%0.796SS**  cis170.9174.1-20.9-163.5-0.5000105
340Y47.7Very low42.8Very low180 Ų180158.3 Ų158.371%0.70679%0.786SS**  trans110.2103.1163.3-69.5-69.6000120.5
341E49.5Very low43.3Very low160 Ų160159.3 Ų159.375%0.74879%0.788SS**  trans106.8125.7138.7-67.7-53.4147.300121.5
342D40.5Very low43.7Very low90 Ų90154.9 Ų154.948%0.48178%0.783SS.*  trans-108.9140.3-169.3174.822.3000110.5R344 H345D342-R344 PolarHBondContact OD1-N 3.18Å; D342-H345 IonicContact OD2-CD2 3.83Å
343N46.6Very low44.2Very low164 Ų164152.9 Ų152.988%0.87777%0.771SS**  trans-139.432175.2-92.4-71.7000112.4
344R46.8Very low45Very low222 Ų222151.2 Ų151.284%0.83876%0.757SS**  trans-112.88.6178.4-56.3-166.4-154.3-163.67.8114.7D342 L346D342-R344 PolarHBondContact OD1-N 3.18Å; R344-L346 PolarHBondContact O-N 3.29Å
345H40.4Very low45.6Very low172 Ų172150.9 Ų150.980%0.79675%0.753SS**THydrogen-bonded Turntrans-77.744.4-178.9-125.3-82.7000115.1D342D342-H345 IonicContact OD2-CD2 3.83Å
346L45.6Very low46.7Very low158 Ų158147 Ų14783%0.82774%0.743SS**THydrogen-bonded Turntrans-144.3-14.9174-149.665.2000117.7R344R344-L346 PolarHBondContact O-N 3.29Å
347V44.3Very low47.7Very low127 Ų127149.1 Ų149.177%0.7774%0.741SS**SBendtrans-101.7-11.9-173-172.10000113.6K349V347-K349 VanDerWaalsContact C-N 3.33Å; V347-K349 PolarHBondContact O-N 3.48Å
348H42.5Very low48.7Very low183 Ų183144.9 Ų144.985%0.84774%0.742SS**THydrogen-bonded Turntrans-87.919.4-176.4-10943.8000115.6
349K44.4Very low49.5Very low197 Ų197142.3 Ų142.386%0.85774%0.735SS**THydrogen-bonded Turntrans-116.513.9-173-134.4177.6-173.5-179.80116.1V347V347-K349 VanDerWaalsContact C-N 3.33Å; V347-K349 PolarHBondContact O-N 3.48Å
350I46.9Very low50.1Low145 Ų145138.8 Ų138.874%0.74473%0.728SS**SBendtrans-124-11.6-178.1-60.8178000112.8
351A47.7Very low50.4Low90 Ų90137.8 Ų137.874%0.74474%0.735SS**THydrogen-bonded Turntrans-931-170.700000116.2
352N48.1Very low51Low156 Ų156137 Ų13783%0.83474%0.736SS**THydrogen-bonded Turntrans-119.56.3-174.1-74.6-31.2000114.8
353T52.5Low51.8Low100 Ų100142.5 Ų142.561%0.61375%0.751SS**SBendtrans-88.5124.9170.149.20000109.2I355T353-I355 PolarHBondContact O-N 3.11Å
354A57.2Low52.2Low59 Ų59141.9 Ų141.949%0.48875%0.747SS.*  trans-70.2125.1179.500000109.4F356 E357A354-F356 PolarHBondContact O-N 3.34Å; A354-E357 HydrophobicContact CB-CB 4.11Å; A354-E357 HydrophobicContact CB-CG 4.46Å; A354-E357 PolarHBondContact N-OE2 3.06Å; A354-E357 VanDerWaalsContact N-OE2 3.13Å; A354-E357 WeakPolarHBondContact O-CB 3.48Å; A354-E357 PolarHBondContact O-N 3.19Å
355I57.9Low52.8Low157 Ų157136.5 Ų136.581%0.80574%0.741SS**THydrogen-bonded Turntrans-62.1-8.3-178.4-26179.2000112.6T353T353-I355 PolarHBondContact O-N 3.11Å
356F63.2Low53.4Low152 Ų152134.1 Ų134.167%0.66774%0.739SS**THydrogen-bonded Turntrans-122.216.2-178.5-58.9-78.5000113.3A354 G358 I359A354-F356 PolarHBondContact O-N 3.34Å; F356-G358 PolarHBondContact O-N 3.16Å; F356-I359 HydrophobicContact CD1-CD1 4.37Å; F356-I359 PolarHBondContact O-N 3.27Å; F356-I359 VanDerWaalsContact O-N 3.11Å
357E62.4Low53.6Low154 Ų154132.8 Ų132.872%0.7274%0.737SS**THydrogen-bonded Turntrans-65-4.4-178.1-147.6163.3158.800114.3A354A354-E357 HydrophobicContact CB-CB 4.11Å; A354-E357 HydrophobicContact CB-CG 4.46Å; A354-E357 PolarHBondContact N-OE2 3.06Å; A354-E357 VanDerWaalsContact N-OE2 3.13Å; A354-E357 WeakPolarHBondContact O-CB 3.48Å; A354-E357 PolarHBondContact O-N 3.19Å
358G61.2Low53.6Low77 Ų77136.6 Ų136.679%0.79474%0.744SS**THydrogen-bonded Turntrans-120.810175.300000115.5F356F356-G358 PolarHBondContact O-N 3.16Å
359I56.3Low53.5Low122 Ų122137.3 Ų137.363%0.62674%0.744SS**SBendtrans-90.5122.2171.2-84.262.1000108.2F356F356-I359 HydrophobicContact CD1-CD1 4.37Å; F356-I359 PolarHBondContact O-N 3.27Å; F356-I359 VanDerWaalsContact O-N 3.11Å
360G50.8Low53.5Low49 Ų49137.2 Ų137.251%0.50575%0.747SS.*  trans-60.1153.6-177.500000114D362G360-D362 PolarHBondContact O-N 3.27Å
361N54.2Low53Low159 Ų159133.2 Ų133.285%0.8574%0.742SS**SBendtrans-74.330.6-172.9-69-47.1000114.2
362D62Low52.6Low145 Ų145138.9 Ų138.978%0.77575%0.75SS**  trans-103.35.6-154.3-56.7-21.6000113.9G360G360-D362 PolarHBondContact O-N 3.27Å
363Y57.5Low52.2Low204 Ų204137.2 Ų137.280%0.875%0.75SS**  trans-130.494.5-179.7-145-99.7000113.4P365Y363-P365 HydrophobicContact CD1-CG 4.07Å; Y363-P365 HydrophobicContact CE1-CG 4.09Å; Y363-P365 WeakPolarHBondContact O-CD 3.35Å
364L55Low51.4Low152 Ų152140 Ų14080%0.79676%0.761SS**  trans-112.598.9174.2-71.6171.5000110.6T366L364-T366 PolarHBondContact O-N 3.23Å
365P59.5Low50.6Low109 Ų109142.8 Ų142.871%0.70877%0.768SS**  trans-67.4104.3171.7-19.232.9000110.6Y363Y363-P365 HydrophobicContact CD1-CG 4.07Å; Y363-P365 HydrophobicContact CE1-CG 4.09Å; Y363-P365 WeakPolarHBondContact O-CD 3.35Å
366T51.9Low49.7Very low122 Ų122144.8 Ų144.875%0.74877%0.765SS**  trans-73.2132.6178.668.40000111.2L364L364-T366 PolarHBondContact O-N 3.23Å
367T50.3Low48.7Very low130 Ų130142.8 Ų142.880%0.79877%0.766SS**  171.496.6126.734.10000113.8
368K43.8Very low47.8Very low207 Ų207141.9 Ų141.990%0.977%0.766SS**  trans39108.2138-61.3-179.9-179.7177.40120.2
369K40.3Very low47.1Very low198 Ų198145.9 Ų145.986%0.86177%0.768SS**  trans-82137.3149.3-69.6177.3177.1174.80111.4
370Q44Very low46.9Very low194 Ų194144.7 Ų144.791%0.90777%0.769SS**  trans-151.1148.4143.3-69.1-59-1500105.8
371G37.4Very low46.8Very low62 Ų62152.5 Ų152.564%0.63978%0.784SS**  cis155.4110.9-100000109.5
372K38.5Very low46.5Very low209 Ų209151.7 Ų151.791%0.90978%0.78SS**  trans16.2129164.2-66.2172.8172.7176.90119.4
373S39.6Very low45.7Very low121 Ų121150.5 Ų150.585%0.84677%0.774SS**  -176.6173.3111.652.60000112.2
374N37Very low45.1Very low159 Ų159146.2 Ų146.285%0.8577%0.773SS**  trans-88.3171-174-60.2-36.9000113.1
375D40Very low44.7Very low116 Ų116143.4 Ų143.462%0.6277%0.766SS**  trans111.9115.6138.3-143.527.3000117.4
376R39.3Very low44.1Very low199 Ų199143.9 Ų143.975%0.75177%0.767SS**  trans67.4155.7144.7-86.6170.2179.7118.6-6.3123.7
377T41.1Very low44Very low111 Ų111142.7 Ų142.768%0.68176%0.763SS**  trans77.4116150.540.60000121.6
378D43.8Very low43.8Very low135 Ų135143.1 Ų143.172%0.72276%0.761SS**  77.6103.4128.3-50.7-16.8000122.8
379L46.7Very low44Very low160 Ų160136.5 Ų136.584%0.83874%0.741SS**  37.5160.9111-65.1175.6000121.4
380P53Low44.4Very low98 Ų98137.3 Ų137.364%0.63674%0.738SS**  cis-139.7-148.3-48.739.2-17.6000112.1
381Y48.5Very low44.6Very low213 Ų213134.4 Ų134.484%0.83573%0.729SS**  trans73.6151.7-179-79.8-95.6000115.2
382D48.1Very low44.9Very low142 Ų142141.1 Ų141.176%0.75974%0.735SS**  cis-142.416320.2-161.214.9000114.8
383D44.5Very low45.5Very low120 Ų120138.5 Ų138.564%0.64273%0.73SS**  trans-57154.9-174.3179.432.6000119.2S385D383-S385 PolarHBondContact OD1-N 3.29Å; D383-S385 VanDerWaalsContact OD1-N 3.11Å
384S45.4Very low45.9Very low113 Ų113138.3 Ų138.379%0.7973%0.726SS**  -165.4111.5125.317.10000112.4
385S46.4Very low46.2Very low93 Ų93135.6 Ų135.665%0.6573%0.726SS**  trans-20.9156.4158.164.20000118.5D383D383-S385 PolarHBondContact OD1-N 3.29Å; D383-S385 VanDerWaalsContact OD1-N 3.11Å
386V46.7Very low46.1Very low120 Ų120134.8 Ų134.873%0.72773%0.729SS**  -164.9130.869.9161.40000112.6
387S50.5Low46.2Very low96 Ų96131.6 Ų131.667%0.67173%0.727SS**  trans31.7145.2149.892.90000121.4
388N45.1Very low46.5Very low140 Ų140132.2 Ų132.275%0.74973%0.731SS**  cis-177.6173.633.7-126.6-37.5000107.5
389S47.6Very low46.5Very low67 Ų67131.1 Ų131.147%0.46973%0.729SS.*  cis-166146.3-7.3-146.50000110
390R48.6Very low46.4Very low215 Ų215129.6 Ų129.681%0.81173%0.727SS**  trans68.2148.1157.7-55.9153.1-165.2-167.2-0.6117.4
391N48.6Very low45.8Very low134 Ų134130 Ų13072%0.71774%0.738SS**  cis-173.9159.4-12.8-95-16.2000105.7
392R44.2Very low45.4Very low203 Ų203123.8 Ų123.877%0.76674%0.739SS**  cis-161.8125.1-13.8-110.6-174.5177.4-164.6-1.8106.4
393L50Low44.9Very low154 Ų154122 Ų12281%0.80674%0.738SS**  78.1152.9104.2-72.3-178.7000117.9
394P49.3Very low44.8Very low116 Ų116123.7 Ų123.775%0.75375%0.747SS**  trans-135.4-165.7-141.144.7-26.8000114.2
395A43Very low44.5Very low103 Ų103122.9 Ų122.985%0.85174%0.741SS**  trans-172.5141.9141.100000113.2
396S36.7Very low44.3Very low98 Ų98125 Ų12569%0.68575%0.745SS**  trans-108.7161.8160.158.40000110
397N43.3Very low44.2Very low132 Ų132124.5 Ų124.571%0.70674%0.743SS**  169.9139.3125.3-87.3-2.6000114
398T45.5Very low43.7Very low124 Ų124127.9 Ų127.976%0.76175%0.753SS**  trans62.1146.1146.252.50000119.2
399T45.2Very low43.3Very low113 Ų113125.7 Ų125.769%0.69376%0.755SS**  cis-162.8169.814.6-5.40000112
400T45.2Very low43Very low127 Ų127131.1 Ų131.178%0.77977%0.773SS**  trans60111.9155.751.30000118.7
401A39.3Very low42.8Very low106 Ų106125.5 Ų125.588%0.87676%0.764SS**  85.1119.360.500000114
402G41.1Very low42.1Very low84 Ų84127.5 Ų127.587%0.86678%0.775SS**  trans170.992.3179.700000112.6
403S37Very low42.1Very low104 Ų104123.3 Ų123.373%0.72778%0.776SS**  trans-77.2143.3-179.4176.90000112.5
404N42Very low42.1Very low155 Ų155121.9 Ų121.983%0.82978%0.775SS**  -178.1156.8114.4-89-8.7000114.4
405S40.3Very low42Very low96 Ų96126 Ų12667%0.67178%0.783SS**  trans-84.1154.7-170.655.70000114.2
406N41.6Very low42.4Very low138 Ų138125.6 Ų125.674%0.73878%0.78SS**  -169.5123.5107.8-93-2.7000113.2
407T43.2Very low43.2Very low110 Ų110124.4 Ų124.468%0.67577%0.772SS**  trans23.9115.7139.560.10000119.1
408N41.8Very low44.2Very low166 Ų166128.4 Ų128.489%0.88878%0.779SS**  -163.8143.795.3-87.6-26.1000110.6
409A36Very low45Very low95 Ų95130.4 Ų130.479%0.78578%0.778SS**  trans-106.2152.4-17800000110.7
410E40.6Very low45.6Very low181 Ų181131.2 Ų131.285%0.84678%0.777SS**  trans-163.7148.7138.3-101.8-64.297.500107.6
411P44.4Very low46.7Very low97 Ų97132.7 Ų132.763%0.6378%0.779SS**  trans-99.6158.7-160.137.6-34.6000114.9S413P411-S413 PolarHBondContact O-N 3.13Å
412N35.5Very low47.7Very low175 Ų175133 Ų13394%0.93677%0.772SS**  trans-59.8126165.4-67.9-50.9000110.5
413S43.7Very low48.1Very low115 Ų115133.5 Ų133.580%0.80477%0.768SS**  trans-112.3131.2166-166.20000111.1P411P411-S413 PolarHBondContact O-N 3.13Å
414T49.5Very low48.6Very low125 Ų125136.2 Ų136.277%0.76777%0.774SS**PPolyproline II helixtrans-57.5150.4-179.644.20000114A416T414-A416 PolarHBondContact O-N 3.5Å
415Q48.3Very low48.7Very low201 Ų201132.1 Ų132.194%0.93976%0.762SS**PPolyproline II helixtrans-49.1120.1167.2-74.2175.8-48.700111.2
416A49.5Very low49.1Very low95 Ų95134.4 Ų134.479%0.78577%0.767SS**PPolyproline II helixtrans-80.1143.4168.800000110.3T414T414-A416 PolarHBondContact O-N 3.5Å
417S54.5Low49.7Very low74 Ų74133 Ų13352%0.51777%0.767SS.*PPolyproline II helixtrans-72.2145.3178.2-176.90000111.3F419 D420S417-F419 PolarHBondContact O-N 3.16Å; S417-D420 PolarHBondContact O-N 3.06Å
418Y63.4Low50.2Low215 Ų215133.4 Ų133.484%0.84377%0.77SS**THydrogen-bonded Turntrans-59.6-3179.7-177.3-104.2000115.2
419F62.5Low50.7Low167 Ų167129.3 Ų129.373%0.73275%0.751SS**THydrogen-bonded Turntrans-114.2-2.4-174.6-73.5-79.1000115.6S417S417-F419 PolarHBondContact O-N 3.16Å
420D59.4Low51.4Low129 Ų129129.6 Ų129.669%0.6974%0.739SS**  trans-102.399.5179.6-71-48.4000111.4S417 P422S417-D420 PolarHBondContact O-N 3.06Å; D420-P422 WeakPolarHBondContact O-CD 3.42Å
421I66.5Low52.1Low159 Ų159127.7 Ų127.782%0.81574%0.735SS**  trans-85.9116.3175.8-58172.9000109.4A423I421-A423 PolarHBondContact O-N 2.78Å
422P61.8Low53.1Low112 Ų112126.7 Ų126.773%0.72773%0.73SS**  trans-77121.9176.930.1-33000111.5D420 N424D420-P422 WeakPolarHBondContact O-CD 3.42Å; P422-N424 VanDerWaalsContact C-N 3.32Å; P422-N424 PolarHBondContact O-N 2.91Å
423A49.6Very low54.5Low94 Ų94122.2 Ų122.278%0.77771%0.705SS**SBendtrans-80.361.4-172.400000114.4I421I421-A423 PolarHBondContact O-N 2.78Å
424N46.8Very low56Low162 Ų162119.9 Ų119.987%0.86669%0.689SS**  trans-156.966.5174.4-90.7-53000112.3P422P422-N424 VanDerWaalsContact C-N 3.32Å; P422-N424 PolarHBondContact O-N 2.91Å
425A44.3Very low57.2Low69 Ų69116.7 Ų116.757%0.5768%0.675SS**  trans-141.529.1-178.700000114.7S427A425-S427 VanDerWaalsContact C-N 3.32Å; A425-S427 PolarHBondContact O-N 2.88Å
426D48.5Very low58.5Low144 Ų144111 Ų11177%0.7765%0.654SS**THydrogen-bonded Turntrans-84.311.6-168.8-63.7-24.8000115.8N430D426-N430 PolarHBondContact O-ND2 3.13Å
427S54.1Low60Low107 Ų107113.2 Ų113.275%0.74865%0.646SS**THydrogen-bonded Turntrans-109.3-9.7-170.6620000116.7A425A425-S427 VanDerWaalsContact C-N 3.32Å; A425-S427 PolarHBondContact O-N 2.88Å
428V54.3Low61.2Low120 Ų120116.1 Ų116.173%0.72765%0.652SS**SBendtrans-114.5-20-170.1-1700000113.7
429T52.2Low62Low80 Ų80111.9 Ų111.949%0.49164%0.638SS.*SBendtrans-85.5-17.3-17547.30000115N431 S432T429-N431 VanDerWaalsContact C-N 3.32Å; T429-N431 PolarHBondContact O-N 3.45Å; T429-S432 PolarHBondContact O-OG 2.88Å
430N49.9Very low62.9Low100 Ų100109.4 Ų109.454%0.53563%0.632SS.*Hα-helixtrans-68.3-27-172.9-67.4-47.2000114D426 S434D426-N430 PolarHBondContact O-ND2 3.13Å; N430-S434 PolarHBondContact O-N 3.09Å
431N56.5Low63.9Low141 Ų141108.3 Ų108.375%0.75463%0.626SS**Hα-helixtrans-75.6-33.5-176.1-69.5-1.1000113.3T429 A435T429-N431 VanDerWaalsContact C-N 3.32Å; T429-N431 PolarHBondContact O-N 3.45Å; N431-A435 PolarHBondContact O-N 3.46Å
432S63.4Low64.6Low77 Ų77105 Ų10554%0.53861%0.607SS.*Hα-helixtrans-76.6-30.1177.962.50000112.7T429 T436T429-S432 PolarHBondContact O-OG 2.88Å; S432-T436 WeakPolarHBondContact O-CG2 3.34Å; S432-T436 PolarHBondContact O-N 3.33Å; S432-T436 VanDerWaalsContact O-N 3.12Å; S432-T436 PolarHBondContact O-OG1 2.89Å
433I66.4Low65.3Low81 Ų81102.7 Ų102.742%0.41559%0.588SS.*Hα-helixtrans-72.3-32.2176.8-61.3172.2000111.1T436 K437I433-T436 WeakPolarHBondContact CA-OG1 3.3Å; I433-T436 PolarHBondContact O-OG1 2.9Å; I433-K437 HydrophobicContact CG2-CD 4.33Å; I433-K437 WeakPolarHBondContact O-CB 3.43Å; I433-K437 VanDerWaalsContact O-CG 3.31Å; I433-K437 WeakPolarHBondContact O-CG 3.36Å; I433-K437 PolarHBondContact O-N 3.44Å; I433-K437 VanDerWaalsContact O-N 3.13Å
434S74.5Confident66.5Low66 Ų66101.5 Ų101.546%0.46257%0.574SS.*Hα-helixtrans-68.2-46.5174.3-154.40000111.5N430 T436 K437 E438N430-S434 PolarHBondContact O-N 3.09Å; S434-T436 PolarHBondContact O-N 2.85Å; S434-K437 PolarHBondContact O-N 3.31Å; S434-E438 PolarHBondContact O-N 3.45Å
435A74.9Confident67.9Low58 Ų58101 Ų10148%0.47957%0.567SS.*Hα-helixtrans-62.8-39.2179.100000112.9N431 F439N431-A435 PolarHBondContact O-N 3.46Å; A435-F439 WeakPolarHBondContact O-CB 3.09Å; A435-F439 PolarHBondContact O-N 2.95Å
436T74.6Confident69.4Low81 Ų81106 Ų10650%0.49757%0.571SS.*Hα-helixtrans-71.2-31.3175.750.70000112.9S432 I433 S434 L440S432-T436 WeakPolarHBondContact O-CG2 3.34Å; S432-T436 PolarHBondContact O-N 3.33Å; S432-T436 VanDerWaalsContact O-N 3.12Å; S432-T436 PolarHBondContact O-OG1 2.89Å; I433-T436 WeakPolarHBondContact CA-OG1 3.3Å; I433-T436 PolarHBondContact O-OG1 2.9Å; S434-T436 PolarHBondContact O-N 2.85Å; T436-L440 WeakPolarHBondContact O-CB 3.35Å; T436-L440 PolarHBondContact O-N 3.5Å
437K81.1Confident70.1Confident141 Ų141106 Ų10661%0.61356%0.564SS**Hα-helixtrans-68.9-42172.1-79.7179.1177.4-177.50112.9I433 S434 L440 N441I433-K437 HydrophobicContact CG2-CD 4.33Å; I433-K437 WeakPolarHBondContact O-CB 3.43Å; I433-K437 VanDerWaalsContact O-CG 3.31Å; I433-K437 WeakPolarHBondContact O-CG 3.36Å; I433-K437 PolarHBondContact O-N 3.44Å; I433-K437 VanDerWaalsContact O-N 3.13Å; S434-K437 PolarHBondContact O-N 3.31Å; K437-L440 PolarHBondContact O-N 3.01Å; K437-N441 PolarHBondContact O-N 3.46Å
438E80.2Confident70Confident136 Ų136107.9 Ų107.964%0.63657%0.566SS**Hα-helixtrans-63.4-44.2175.3-74.2178.4172.400111.1S434 L440 N441 E442S434-E438 PolarHBondContact O-N 3.45Å; E438-L440 PolarHBondContact O-N 3.43Å; E438-N441 PolarHBondContact O-N 2.91Å; E438-E442 PolarHBondContact O-N 2.98Å
439F81.4Confident69.9Low126 Ų126105.6 Ų105.655%0.55355%0.552SS**Hα-helixtrans-62.3-39.9175.2-176.2-109.5000113.5A435 E442 L443A435-F439 WeakPolarHBondContact O-CB 3.09Å; A435-F439 PolarHBondContact O-N 2.95Å; F439-E442 PolarHBondContact O-N 3Å; F439-L443 HydrophobicContact CD1-CD1 3.92Å; F439-L443 HydrophobicContact CE1-CD1 3.51Å; F439-L443 HydrophobicContact CE1-CG 4.3Å; F439-L443 HydrophobicContact CZ-CD1 3.94Å; F439-L443 HydrophobicContact CZ-CG 4.31Å; F439-L443 WeakPolarHBondContact O-CG 3.35Å; F439-L443 PolarHBondContact O-N 3.15Å
440L79.8Confident70.1Confident115 Ų115109.9 Ų109.960%0.60256%0.564SS**Hα-helixtrans-66-36.4173.6-90.5163.4000112.7T436 K437 E438 S444T436-L440 WeakPolarHBondContact O-CB 3.35Å; T436-L440 PolarHBondContact O-N 3.5Å; K437-L440 PolarHBondContact O-N 3.01Å; E438-L440 PolarHBondContact O-N 3.43Å; L440-S444 WeakPolarHBondContact O-CB 3.44Å; L440-S444 PolarHBondContact O-N 3.26Å
441N81.5Confident70.5Confident106 Ų106112.5 Ų112.557%0.56757%0.573SS**Hα-helixtrans-68.6-39.2174.2-117.76.5000111.5K437 E438 S444 Q445K437-N441 PolarHBondContact O-N 3.46Å; E438-N441 PolarHBondContact O-N 2.91Å; N441-S444 PolarHBondContact O-N 3.43Å; N441-Q445 PolarHBondContact O-N 3.23Å
442E81.3Confident70.7Confident88 Ų88113.1 Ų113.141%0.41157%0.571SS.*Hα-helixtrans-65-42.2175.9-165.8-17516300111.5E438 F439 S444 Q445 R446E438-E442 PolarHBondContact O-N 2.98Å; F439-E442 PolarHBondContact O-N 3Å; E442-S444 VanDerWaalsContact C-N 3.34Å; E442-S444 PolarHBondContact O-N 2.94Å; E442-Q445 PolarHBondContact O-N 2.65Å; E442-R446 WeakPolarHBondContact O-CG 3.16Å; E442-R446 PolarHBondContact O-N 3.49Å; E442-R446 IonicContact OE1-CZ 2.74Å; E442-R446 VanDerWaalsContact OE1-CZ 3.26Å; E442-R446 IonicContact OE1-NE 3.33Å; E442-R446 PolarHBondContact OE1-NE 3.13Å; E442-R446 IonicContact OE1-NH2 2.67Å; E442-R446 PolarHBondContact OE1-NH2 2.99Å
443L76Confident70.6Confident65 Ų65113.9 Ų113.934%0.3457%0.569SS.*Hα-helixtrans-59.5-43.7170-79170000111.7F439 Q445 R446 F447F439-L443 HydrophobicContact CD1-CD1 3.92Å; F439-L443 HydrophobicContact CE1-CD1 3.51Å; F439-L443 HydrophobicContact CE1-CG 4.3Å; F439-L443 HydrophobicContact CZ-CD1 3.94Å; F439-L443 HydrophobicContact CZ-CG 4.31Å; F439-L443 WeakPolarHBondContact O-CG 3.35Å; F439-L443 PolarHBondContact O-N 3.15Å; L443-Q445 PolarHBondContact O-N 3.36Å; L443-R446 PolarHBondContact O-N 2.68Å; L443-F447 HydrophobicContact CD2-CD2 4.19Å; L443-F447 HydrophobicContact CD2-CE2 3.86Å; L443-F447 WeakPolarHBondContact O-CD2 3.46Å; L443-F447 PolarHBondContact O-N 2.93Å
444S75.3Confident70.5Confident69 Ų69117 Ų11748%0.48358%0.576SS.*Hα-helixtrans-67.2-20.2178.2-170.10000114.2L440 N441 E442L440-S444 WeakPolarHBondContact O-CB 3.44Å; L440-S444 PolarHBondContact O-N 3.26Å; N441-S444 PolarHBondContact O-N 3.43Å; E442-S444 VanDerWaalsContact C-N 3.34Å; E442-S444 PolarHBondContact O-N 2.94Å
445Q74.5Confident70.4Confident151 Ų151119.8 Ų119.871%0.70659%0.585SS**Hα-helixtrans-91.3-27.9173.6-73-178.55.100112.9N441 E442 L443N441-Q445 PolarHBondContact O-N 3.23Å; E442-Q445 PolarHBondContact O-N 2.65Å; L443-Q445 PolarHBondContact O-N 3.36Å
446R76Confident70.3Confident174 Ų174123.6 Ų123.666%0.65759%0.593SS**Hα-helixtrans-77.6-28.2176.3-71.8174-178.6-104.99.5112.9E442 L443E442-R446 WeakPolarHBondContact O-CG 3.16Å; E442-R446 PolarHBondContact O-N 3.49Å; E442-R446 IonicContact OE1-CZ 2.74Å; E442-R446 VanDerWaalsContact OE1-CZ 3.26Å; E442-R446 IonicContact OE1-NE 3.33Å; E442-R446 PolarHBondContact OE1-NE 3.13Å; E442-R446 IonicContact OE1-NH2 2.67Å; E442-R446 PolarHBondContact OE1-NH2 2.99Å; L443-R446 PolarHBondContact O-N 2.68Å
447F64.6Low70.2Confident144 Ų144125.6 Ų125.663%0.63260%0.596SS**  trans-110.668.9179.6-66.1-76.4000111.6L443 V449L443-F447 HydrophobicContact CD2-CD2 4.19Å; L443-F447 HydrophobicContact CD2-CE2 3.86Å; L443-F447 WeakPolarHBondContact O-CD2 3.46Å; L443-F447 PolarHBondContact O-N 2.93Å; F447-V449 PolarHBondContact O-N 3.11Å
448D52Low69.9Low147 Ų147125.8 Ų125.879%0.78660%0.597SS**  trans-72.774.8173-127.4-10000110.2K450D448-K450 PolarHBondContact O-N 3.19Å
449V52.5Low69.9Low72 Ų72122 Ų12244%0.43659%0.589SS.*  trans-73.6119176.2179.10000108.7F447 E451 N453F447-V449 PolarHBondContact O-N 3.11Å; V449-E451 PolarHBondContact O-N 3.22Å; V449-N453 HydrophobicContact CG1-CB 3.88Å
450K56.1Low69.6Low169 Ų169119.7 Ų119.774%0.73559%0.588SS**  trans-36.2131.3178.8-64.3177.8178.1178.80112.7D448 E452 N453D448-K450 PolarHBondContact O-N 3.19Å; K450-E452 PolarHBondContact O-N 3.42Å; K450-N453 PolarHBondContact O-N 3.38Å
451E58.5Low69.4Low155 Ų155118.2 Ų118.272%0.72458%0.581SS**Hα-helixtrans-54.6-30-171-71-159.3125.500115.2V449 N453 R454 L455V449-E451 PolarHBondContact O-N 3.22Å; E451-N453 VanDerWaalsContact C-N 3.3Å; E451-N453 PolarHBondContact O-N 2.93Å; E451-R454 PolarHBondContact O-N 2.87Å; E451-R454 VanDerWaalsContact O-N 3.12Å; E451-L455 PolarHBondContact O-N 3.02Å
452E59.5Low69.1Low154 Ų154119.6 Ų119.672%0.7258%0.584SS**Hα-helixtrans-58.2-40177-70.5-177.3125.800112.8K450 L455 Q456K450-E452 PolarHBondContact O-N 3.42Å; E452-L455 PolarHBondContact O-N 3Å; E452-Q456 PolarHBondContact O-N 3.33Å
453N61.8Low68.8Low93 Ų93125.3 Ų125.350%0.49760%0.602SS.*Hα-helixtrans-69.4-38.4176.5-763000111V449 K450 E451 L455 Q456 E457V449-N453 HydrophobicContact CG1-CB 3.88Å; K450-N453 PolarHBondContact O-N 3.38Å; E451-N453 VanDerWaalsContact C-N 3.3Å; E451-N453 PolarHBondContact O-N 2.93Å; N453-L455 PolarHBondContact O-N 3.17Å; N453-Q456 PolarHBondContact O-N 2.74Å; N453-E457 WeakPolarHBondContact O-CB 3.48Å; N453-E457 PolarHBondContact O-N 3.17Å
454R64.5Low68.7Low147 Ų147128.8 Ų128.856%0.55561%0.614SS**Hα-helixtrans-62-32.7175.4-68.8-17775.5-179.47.5111.8E451 K458E451-R454 PolarHBondContact O-N 2.87Å; E451-R454 VanDerWaalsContact O-N 3.12Å; R454-K458 WeakPolarHBondContact O-CB 3.43Å; R454-K458 PolarHBondContact O-N 3.45Å
455L72.3Confident68.7Low125 Ų125131.6 Ų131.665%0.65462%0.618SS**Hα-helixtrans-70.6-45.4176.6-71.1169.6000112E451 E452 N453 A459E451-L455 PolarHBondContact O-N 3.02Å; E452-L455 PolarHBondContact O-N 3Å; N453-L455 PolarHBondContact O-N 3.17Å; L455-A459 VanDerWaalsContact O-CB 3.24Å; L455-A459 WeakPolarHBondContact O-CB 3.16Å; L455-A459 PolarHBondContact O-N 3.09Å
456Q73.8Confident68.5Low138 Ų138127.4 Ų127.465%0.64561%0.61SS**Hα-helixtrans-68.4-42.1177.2-72.6-174.3-11.400112.7E452 N453 A459 S460E452-Q456 PolarHBondContact O-N 3.33Å; N453-Q456 PolarHBondContact O-N 2.74Å; Q456-A459 PolarHBondContact O-N 3.06Å; Q456-S460 WeakPolarHBondContact O-CB 3.45Å; Q456-S460 PolarHBondContact O-N 3.2Å; Q456-S460 PolarHBondContact O-OG 2.82Å
457E70.8Confident68.1Low123 Ų123125.9 Ų125.958%0.57561%0.608SS**Hα-helixtrans-68.9-40179.3-168.8174.6-136.100111.1N453 S460 L461N453-E457 WeakPolarHBondContact O-CB 3.48Å; N453-E457 PolarHBondContact O-N 3.17Å; E457-S460 PolarHBondContact O-N 3.15Å; E457-L461 HydrophobicContact CG-CD1 4.35Å; E457-L461 WeakPolarHBondContact O-CB 3.46Å; E457-L461 WeakPolarHBondContact O-CG 3.42Å; E457-L461 PolarHBondContact O-N 2.86Å
458K76.7Confident68.1Low144 Ų144122.7 Ų122.763%0.62660%0.6SS**Hα-helixtrans-67.5-40.1173.6-168.9-179.1-176.7-168.50112.2R454 S460 L461 E462R454-K458 WeakPolarHBondContact O-CB 3.43Å; R454-K458 PolarHBondContact O-N 3.45Å; K458-S460 VanDerWaalsContact C-N 3.32Å; K458-S460 PolarHBondContact O-N 2.8Å; K458-L461 PolarHBondContact O-N 2.9Å; K458-E462 WeakPolarHBondContact O-CB 3.43Å; K458-E462 PolarHBondContact O-N 2.84Å
459A78.4Confident68.6Low56 Ų56122.7 Ų122.746%0.46360%0.595SS.*Hα-helixtrans-64.1-37.3173.500000112.1L455 Q456 E462 R463L455-A459 VanDerWaalsContact O-CB 3.24Å; L455-A459 WeakPolarHBondContact O-CB 3.16Å; L455-A459 PolarHBondContact O-N 3.09Å; Q456-A459 PolarHBondContact O-N 3.06Å; A459-E462 PolarHBondContact O-N 3.3Å; A459-R463 WeakPolarHBondContact O-CB 3.23Å; A459-R463 PolarHBondContact O-N 2.68Å
460S76.9Confident69Low78 Ų78124.3 Ų124.355%0.54561%0.605SS.*Hα-helixtrans-68.7-43.7176.2-58.50000111.8Q456 E457 K458 R463 F464Q456-S460 WeakPolarHBondContact O-CB 3.45Å; Q456-S460 PolarHBondContact O-N 3.2Å; Q456-S460 PolarHBondContact O-OG 2.82Å; E457-S460 PolarHBondContact O-N 3.15Å; K458-S460 VanDerWaalsContact C-N 3.32Å; K458-S460 PolarHBondContact O-N 2.8Å; S460-R463 WeakPolarHBondContact O-CB 3.3Å; S460-R463 PolarHBondContact O-N 3Å; S460-F464 WeakPolarHBondContact O-CB 3.32Å; S460-F464 PolarHBondContact O-N 3.18Å
461L74.1Confident69.2Low85 Ų85119.7 Ų119.745%0.44559%0.591SS.*Hα-helixtrans-63.5-39.4172.2-80.7164.9000112E457 K458 F464 F465E457-L461 HydrophobicContact CG-CD1 4.35Å; E457-L461 WeakPolarHBondContact O-CB 3.46Å; E457-L461 WeakPolarHBondContact O-CG 3.42Å; E457-L461 PolarHBondContact O-N 2.86Å; K458-L461 PolarHBondContact O-N 2.9Å; L461-F464 WeakPolarHBondContact O-CB 3.34Å; L461-F464 PolarHBondContact O-N 3.46Å; L461-F465 HydrophobicContact CB-CD2 4.44Å; L461-F465 HydrophobicContact CB-CE2 4.44Å; L461-F465 HydrophobicContact CD2-CE2 4.22Å; L461-F465 WeakPolarHBondContact O-CB 2.81Å; L461-F465 WeakPolarHBondContact O-CD2 3.18Å; L461-F465 PolarHBondContact O-N 2.83Å
462E75.8Confident69.5Low134 Ų134117.3 Ų117.363%0.62659%0.591SS**Hα-helixtrans-67.3-38.2177.2-167.5159.8-142.600111.2K458 A459 A466K458-E462 WeakPolarHBondContact O-CB 3.43Å; K458-E462 PolarHBondContact O-N 2.84Å; A459-E462 PolarHBondContact O-N 3.3Å; E462-A466 VanDerWaalsContact O-CB 3.27Å; E462-A466 WeakPolarHBondContact O-CB 3.43Å; E462-A466 PolarHBondContact O-N 2.95Å
463R75.3Confident70.2Confident208 Ų208118.6 Ų118.679%0.78559%0.59SS**Hα-helixtrans-61.1-41.3167.4-118.2-179.1180-171-1.2112.2A459 S460 A466 K467A459-R463 WeakPolarHBondContact O-CB 3.23Å; A459-R463 PolarHBondContact O-N 2.68Å; S460-R463 WeakPolarHBondContact O-CB 3.3Å; S460-R463 PolarHBondContact O-N 3Å; R463-A466 PolarHBondContact O-N 2.9Å; R463-K467 PolarHBondContact O-N 3.37Å
464F73Confident70.6Confident138 Ų138116.5 Ų116.561%0.60558%0.579SS**Hα-helixtrans-68.1-46.8179-160.5-87.6000111.5S460 L461 A466 K467 T468S460-F464 WeakPolarHBondContact O-CB 3.32Å; S460-F464 PolarHBondContact O-N 3.18Å; L461-F464 WeakPolarHBondContact O-CB 3.34Å; L461-F464 PolarHBondContact O-N 3.46Å; F464-A466 VanDerWaalsContact C-N 3.31Å; F464-A466 PolarHBondContact O-N 3.48Å; F464-K467 PolarHBondContact O-N 2.89Å; F464-K467 VanDerWaalsContact O-N 3.13Å; F464-T468 HydrophobicContact CD1-CG2 4.15Å; F464-T468 HydrophobicContact CE1-CG2 4.04Å; F464-T468 WeakPolarHBondContact O-CG2 3.36Å; F464-T468 PolarHBondContact O-N 2.86Å
465F75.5Confident71.1Confident128 Ų128116.6 Ų116.656%0.56159%0.586SS**Hα-helixtrans-62.8-37.1175.3-77.7-61.4000111.9L461 T468 Q469L461-F465 HydrophobicContact CB-CD2 4.44Å; L461-F465 HydrophobicContact CB-CE2 4.44Å; L461-F465 HydrophobicContact CD2-CE2 4.22Å; L461-F465 WeakPolarHBondContact O-CB 2.81Å; L461-F465 WeakPolarHBondContact O-CD2 3.18Å; L461-F465 PolarHBondContact O-N 2.83Å; F465-T468 WeakPolarHBondContact CA-OG1 3.31Å; F465-T468 PolarHBondContact O-N 3.31Å; F465-T468 PolarHBondContact O-OG1 3.43Å; F465-Q469 PolarHBondContact O-N 3.04Å; F465-Q469 VanDerWaalsContact O-N 3.1Å
466A71.4Confident71.3Confident64 Ų64114.8 Ų114.853%0.52958%0.583SS.*Hα-helixtrans-61.8-44.7170.900000112.2E462 R463 F464 T468 Q469E462-A466 VanDerWaalsContact O-CB 3.27Å; E462-A466 WeakPolarHBondContact O-CB 3.43Å; E462-A466 PolarHBondContact O-N 2.95Å; R463-A466 PolarHBondContact O-N 2.9Å; F464-A466 VanDerWaalsContact C-N 3.31Å; F464-A466 PolarHBondContact O-N 3.48Å; A466-T468 PolarHBondContact O-N 3.35Å; A466-Q469 PolarHBondContact O-N 2.85Å
467K65.9Low71.3Confident141 Ų141115.3 Ų115.361%0.61358%0.58SS**Hα-helixtrans-61.6-27.4172.2-85.6-163.2171.6-169.10113.3R463 F464 D485R463-K467 PolarHBondContact O-N 3.37Å; F464-K467 PolarHBondContact O-N 2.89Å; F464-K467 VanDerWaalsContact O-N 3.13Å; K467-D485 WeakPolarHBondContact CE-OD1 3.37Å; K467-D485 IonicContact NZ-OD1 2.99Å; K467-D485 PolarHBondContact NZ-OD1 2.87Å; K467-D485 IonicContact NZ-OD2 2.64Å; K467-D485 PolarHBondContact NZ-OD2 3.03Å
468T66Low71.2Confident77 Ų77115.3 Ų115.347%0.47259%0.59SS.*Hα-helixtrans-86.4-10.6176.661.80000115.3F464 F465 A466 V470F464-T468 HydrophobicContact CD1-CG2 4.15Å; F464-T468 HydrophobicContact CE1-CG2 4.04Å; F464-T468 WeakPolarHBondContact O-CG2 3.36Å; F464-T468 PolarHBondContact O-N 2.86Å; F465-T468 WeakPolarHBondContact CA-OG1 3.31Å; F465-T468 PolarHBondContact O-N 3.31Å; F465-T468 PolarHBondContact O-OG1 3.43Å; A466-T468 PolarHBondContact O-N 3.35Å; T468-V470 PolarHBondContact O-N 3.24Å
469Q61.1Low70.8Confident148 Ų148110.1 Ų110.169%0.69258%0.577SS**  trans-78.673.3173-76.1-168.948.200110.4F465 A466 T471F465-Q469 PolarHBondContact O-N 3.04Å; F465-Q469 VanDerWaalsContact O-N 3.1Å; A466-Q469 PolarHBondContact O-N 2.85Å; Q469-T471 PolarHBondContact O-N 3.43Å
470V61.8Low70.5Confident105 Ų105112.7 Ų112.764%0.63658%0.578SS**  trans-58.9110.6165.3-178.50000107.5T468 D474T468-V470 PolarHBondContact O-N 3.24Å; V470-D474 HydrophobicContact CG1-CB 4.1Å
471T61.1Low70Confident72 Ų72112.1 Ų112.144%0.44258%0.578SS.*  trans-81.9156.8176.673.90000109.5Q469 Y473 D474Q469-T471 PolarHBondContact O-N 3.43Å; T471-Y473 PolarHBondContact O-N 3.44Å; T471-Y473 PolarHBondContact OG1-N 3.33Å; T471-D474 WeakPolarHBondContact CA-OD2 3.41Å; T471-D474 WeakPolarHBondContact CB-OD2 3.2Å; T471-D474 PolarHBondContact N-OD2 2.73Å; T471-D474 WeakPolarHBondContact O-CB 3.3Å; T471-D474 PolarHBondContact O-N 3.21Å; T471-D474 PolarHBondContact OG1-N 3.18Å; T471-D474 PolarHBondContact OG1-OD2 2.76Å
472C64.5Low69.6Low106 Ų106115.2 Ų115.272%0.71659%0.59SS**THydrogen-bonded Turntrans-58.2-16.9173.1-173.20000112.9
473Y74.1Confident69.3Low180 Ų180111.3 Ų111.371%0.70658%0.578SS**THydrogen-bonded Turntrans-77.7-29.4173.8-117.6-92.5000113.2T471 E475 C476T471-Y473 PolarHBondContact O-N 3.44Å; T471-Y473 PolarHBondContact OG1-N 3.33Å; Y473-E475 VanDerWaalsContact C-N 3.34Å; Y473-C476 WeakPolarHBondContact O-CB 3.35Å; Y473-C476 PolarHBondContact O-N 3.43Å; Y473-C476 VanDerWaalsContact O-N 3.17Å
474D70.3Confident68.9Low49 Ų49109.4 Ų109.426%0.26257%0.572SS.*G310 helixtrans-70.6-31.6179.7-60.4-60.6000111.7V470 T471 C476 Y477V470-D474 HydrophobicContact CG1-CB 4.1Å; T471-D474 WeakPolarHBondContact CA-OD2 3.41Å; T471-D474 WeakPolarHBondContact CB-OD2 3.2Å; T471-D474 PolarHBondContact N-OD2 2.73Å; T471-D474 WeakPolarHBondContact O-CB 3.3Å; T471-D474 PolarHBondContact O-N 3.21Å; T471-D474 PolarHBondContact OG1-N 3.18Å; T471-D474 PolarHBondContact OG1-OD2 2.76Å; D474-C476 PolarHBondContact O-N 3.15Å; D474-Y477 CarbonylContact O-C 3.59Å; D474-Y477 PolarHBondContact O-N 3.11Å
475E73.6Confident68.4Low149 Ų149107.2 Ų107.270%0.69657%0.567SS**G310 helixtrans-62-23.8172.1-64.4-170.4174.500112.9Y473Y473-E475 VanDerWaalsContact C-N 3.34Å
476C78Confident67.8Low88 Ų88105.1 Ų105.160%0.59557%0.573SS**G310 helixtrans-84-14.3179.6-65.60000113.5Y473 D474Y473-C476 WeakPolarHBondContact O-CB 3.35Å; Y473-C476 PolarHBondContact O-N 3.43Å; Y473-C476 VanDerWaalsContact O-N 3.17Å; D474-C476 PolarHBondContact O-N 3.15Å
477Y74.1Confident67.5Low149 Ų149109.2 Ų109.258%0.58458%0.583SS**SBendtrans-136.175.1179.4-66.5-85000112.2D474 G479 F480D474-Y477 CarbonylContact O-C 3.59Å; D474-Y477 PolarHBondContact O-N 3.11Å; Y477-G479 PolarHBondContact O-N 3.41Å; Y477-G479 VanDerWaalsContact O-N 3.11Å; Y477-F480 WeakPolarHBondContact O-CB 3.15Å; Y477-F480 PolarHBondContact O-N 2.56Å
478P66.8Low67.4Low123 Ų123105.7 Ų105.780%0.79959%0.586SS**THydrogen-bonded Turntrans-54.4119.4171.2-2233.1000110.4
479G69.8Low67.1Low34 Ų34108.9 Ų108.935%0.35160%0.6SS.*THydrogen-bonded Turntrans100.3-9.2-174.800000115.8Y477 S483Y477-G479 PolarHBondContact O-N 3.41Å; Y477-G479 VanDerWaalsContact O-N 3.11Å; G479-S483 WeakPolarHBondContact O-CB 3.26Å; G479-S483 PolarHBondContact O-N 3.24Å
480F71.9Confident66.8Low110 Ų110107 Ų10748%0.48260%0.604SS.*Hα-helixtrans-68.2-41.4176.2-171.2-104.3000112.1Y477 E482 S483 Y484Y477-F480 WeakPolarHBondContact O-CB 3.15Å; Y477-F480 PolarHBondContact O-N 2.56Å; F480-E482 PolarHBondContact O-N 3.24Å; F480-S483 WeakPolarHBondContact CA-OG 3.43Å; F480-S483 PolarHBondContact O-N 3.21Å; F480-S483 VanDerWaalsContact O-N 3.13Å; F480-S483 PolarHBondContact O-OG 3.41Å; F480-Y484 HydrophobicContact CE1-CD2 4.28Å; F480-Y484 HydrophobicContact CZ-CD2 4.29Å; F480-Y484 PolarHBondContact O-N 3.13Å
481A66.4Low66.6Low66 Ų66109.6 Ų109.655%0.54561%0.614SS.*Hα-helixtrans-59.7-43.1175.500000112.6S483 Y484 D485A481-S483 VanDerWaalsContact C-N 3.34Å; A481-Y484 PolarHBondContact O-N 3.13Å; A481-D485 PolarHBondContact O-N 2.99Å; A481-D485 VanDerWaalsContact O-N 3.16Å
482E66.2Low66.6Low150 Ų150113.4 Ų113.470%0.70163%0.632SS**Hα-helixtrans-65.3-37.4174.4-67.6171.3134.100111.7F480 Y484 D485 A486F480-E482 PolarHBondContact O-N 3.24Å; E482-Y484 VanDerWaalsContact C-N 3.29Å; E482-Y484 PolarHBondContact O-N 3.45Å; E482-D485 PolarHBondContact O-N 3.24Å; E482-A486 WeakPolarHBondContact O-CB 3.46Å; E482-A486 PolarHBondContact O-N 3.47Å; E482-A486 VanDerWaalsContact O-N 3.13Å
483S69.4Low66.3Low52 Ų52117.5 Ų117.536%0.36464%0.64SS.*Hα-helixtrans-66.8-29.3174.779.40000113.2G479 F480 A481 M487G479-S483 WeakPolarHBondContact O-CB 3.26Å; G479-S483 PolarHBondContact O-N 3.24Å; F480-S483 WeakPolarHBondContact CA-OG 3.43Å; F480-S483 PolarHBondContact O-N 3.21Å; F480-S483 VanDerWaalsContact O-N 3.13Å; F480-S483 PolarHBondContact O-OG 3.41Å; A481-S483 VanDerWaalsContact C-N 3.34Å; S483-M487 WeakPolarHBondContact O-CB 3.44Å; S483-M487 WeakPolarHBondContact O-CG 3.4Å; S483-M487 PolarHBondContact O-N 3.4Å; S483-M487 VanDerWaalsContact O-N 3.13Å
484Y66.3Low65.7Low168 Ų168112.3 Ų112.366%0.65964%0.635SS**Hα-helixtrans-78.4-35.3179.2-148.9-87.4000112F480 A481 E482 M487 G488F480-Y484 HydrophobicContact CE1-CD2 4.28Å; F480-Y484 HydrophobicContact CZ-CD2 4.29Å; F480-Y484 PolarHBondContact O-N 3.13Å; A481-Y484 PolarHBondContact O-N 3.13Å; E482-Y484 VanDerWaalsContact C-N 3.29Å; E482-Y484 PolarHBondContact O-N 3.45Å; Y484-M487 PolarHBondContact O-N 3.34Å; Y484-G488 PolarHBondContact O-N 2.79Å
485D62.4Low65.1Low93 Ų93114.3 Ų114.350%0.49765%0.645SS.*Hα-helixtrans-63.9-45.5171.9-134.217.1000110.4K467 A481 E482 M487 G488K467-D485 WeakPolarHBondContact CE-OD1 3.37Å; K467-D485 IonicContact NZ-OD1 2.99Å; K467-D485 PolarHBondContact NZ-OD1 2.87Å; K467-D485 IonicContact NZ-OD2 2.64Å; K467-D485 PolarHBondContact NZ-OD2 3.03Å; A481-D485 PolarHBondContact O-N 2.99Å; A481-D485 VanDerWaalsContact O-N 3.16Å; E482-D485 PolarHBondContact O-N 3.24Å; D485-M487 PolarHBondContact O-N 2.89Å; D485-G488 PolarHBondContact O-N 2.84Å; D485-G488 VanDerWaalsContact O-N 3.16Å
486A63.2Low64.8Low83 Ų83114.4 Ų114.469%0.68664%0.644SS**Hα-helixtrans-66.9-17.2175.900000114.6E482E482-A486 WeakPolarHBondContact O-CB 3.46Å; E482-A486 PolarHBondContact O-N 3.47Å; E482-A486 VanDerWaalsContact O-N 3.13Å
487M65.4Low64.7Low151 Ų151115.5 Ų115.574%0.74465%0.652SS**Hα-helixtrans-89.8-15.5175.7-80.9-75-46.600113.2S483 Y484 D485S483-M487 WeakPolarHBondContact O-CB 3.44Å; S483-M487 WeakPolarHBondContact O-CG 3.4Å; S483-M487 PolarHBondContact O-N 3.4Å; S483-M487 VanDerWaalsContact O-N 3.13Å; Y484-M487 PolarHBondContact O-N 3.34Å; D485-M487 PolarHBondContact O-N 2.89Å
488G63.2Low64.5Low66 Ų66117 Ų11768%0.6866%0.662SS**Hα-helixtrans-100.7-11.8-170.900000116.2Y484 D485Y484-G488 PolarHBondContact O-N 2.79Å; D485-G488 PolarHBondContact O-N 2.84Å; D485-G488 VanDerWaalsContact O-N 3.16Å
489D59.6Low64.4Low144 Ų144116.6 Ų116.677%0.7765%0.65SS**SBendtrans-108.438.2-165.3-158.239.2000113.2
490S54.1Low63.7Low109 Ų109122.2 Ų122.276%0.76267%0.672SS**  trans-131.533.8-163.8-175.50000115.1
491D58.7Low63.4Low160 Ų160122.9 Ų122.986%0.85668%0.68SS**  trans-130.66.3176.1-154.728.9000114.4
492D60.2Low62.7Low151 Ų151122.3 Ų122.381%0.80768%0.681SS**SBendtrans-91.2137.9176.1-72.3-12.8000111.6
493E57.8Low62Low193 Ų193121.6 Ų121.690%0.90268%0.682SS**  trans-40.5135.9-162.7-60.1177.9144.700117.1D495E493-D495 PolarHBondContact O-N 2.9Å
494A61.4Low61.2Low71 Ų71126.9 Ų126.959%0.58770%0.699SS**  trans-60.6103.9-176.800000113.5F496A494-F496 HydrophobicContact CB-CD2 4.39Å; A494-F496 HydrophobicContact CB-CE2 3.8Å; A494-F496 HydrophobicContact CB-CZ 4.08Å; A494-F496 WeakPolarHBondContact O-CD2 3.35Å; A494-F496 WeakPolarHBondContact O-CE2 3.49Å; A494-F496 PolarHBondContact O-N 3.36Å
495D59.1Low60.5Low91 Ų91127.6 Ų127.649%0.48771%0.705SS.*  trans-71.492.2172.7-179.116000111.7E493 S497E493-D495 PolarHBondContact O-N 2.9Å; D495-S497 PolarHBondContact O-N 2.86Å; D495-S497 WeakPolarHBondContact OD1-CA 3.31Å; D495-S497 WeakPolarHBondContact OD1-CB 3.22Å; D495-S497 PolarHBondContact OD1-N 3.5Å
496F67.8Low60.7Low151 Ų151125.2 Ų125.266%0.66270%0.703SS**G310 helixtrans-67.1-10.7173.7-65.3-86.7000113.8A494 K498 M499A494-F496 HydrophobicContact CB-CD2 4.39Å; A494-F496 HydrophobicContact CB-CE2 3.8Å; A494-F496 HydrophobicContact CB-CZ 4.08Å; A494-F496 WeakPolarHBondContact O-CD2 3.35Å; A494-F496 WeakPolarHBondContact O-CE2 3.49Å; A494-F496 PolarHBondContact O-N 3.36Å; F496-K498 VanDerWaalsContact C-N 3.27Å; F496-K498 PolarHBondContact O-N 3.04Å; F496-M499 HydrophobicContact CD1-CE 3.39Å; F496-M499 HydrophobicContact CE1-CE 3.34Å; F496-M499 HydrophobicContact CG-CE 4.47Å; F496-M499 HydrophobicContact CZ-CE 4.4Å; F496-M499 PolarHBondContact O-N 3.31Å
497S75.4Confident61.2Low110 Ų110127.3 Ų127.377%0.76971%0.709SS**G310 helixtrans-69.6-23.6180-162.50000113D495D495-S497 PolarHBondContact O-N 2.86Å; D495-S497 WeakPolarHBondContact OD1-CA 3.31Å; D495-S497 WeakPolarHBondContact OD1-CB 3.22Å; D495-S497 PolarHBondContact OD1-N 3.5Å
498K68.4Low61.7Low182 Ų182123 Ų12379%0.79169%0.692SS**G310 helixtrans-111.65.5176.7-65.3-178.2-175.1168.10113.9F496 D500F496-K498 VanDerWaalsContact C-N 3.27Å; F496-K498 PolarHBondContact O-N 3.04Å; K498-D500 PolarHBondContact O-N 2.83Å
499M64.9Low62.5Low113 Ų113120.7 Ų120.756%0.55767%0.667SS**  trans-72.6117.3174.5-80.5-115.6-86.100110.6F496 L501F496-M499 HydrophobicContact CD1-CE 3.39Å; F496-M499 HydrophobicContact CE1-CE 3.34Å; F496-M499 HydrophobicContact CG-CE 4.47Å; F496-M499 HydrophobicContact CZ-CE 4.4Å; F496-M499 PolarHBondContact O-N 3.31Å; M499-L501 PolarHBondContact O-N 2.82Å
500D56.8Low63.6Low152 Ų152121.6 Ų121.681%0.81366%0.66SS**  trans-48.7131.2167.7-17712.7000109.6K498 G502K498-D500 PolarHBondContact O-N 2.83Å; D500-G502 PolarHBondContact O-N 3.32Å
501L64.8Low65.1Low124 Ų124126.2 Ų126.265%0.64966%0.661SS**  trans-75.865.3-179.4-75.8168.3000109.9M499 N503 K504M499-L501 PolarHBondContact O-N 2.82Å; L501-N503 PolarHBondContact O-N 2.82Å; L501-K504 PolarHBondContact O-N 2.81Å
502G52.2Low66.3Low55 Ų55122.5 Ų122.557%0.56764%0.641SS**THydrogen-bonded Turntrans-51.2130.3-174.100000112D500D500-G502 PolarHBondContact O-N 3.32Å
503N49.9Very low67.6Low134 Ų134117.2 Ų117.272%0.71761%0.611SS**THydrogen-bonded Turntrans80.817.6178.1-56-45.7000118.6L501 K505L501-N503 PolarHBondContact O-N 2.82Å; N503-K505 HydrophobicContact CB-CG 4.25Å; N503-K505 PolarHBondContact O-N 3.03Å; N503-K505 WeakPolarHBondContact OD1-CE 3.48Å
504K53.2Low69Low163 Ų163117.2 Ų117.271%0.70961%0.611SS**  trans-68.876.4144.9-64.5-170.5-176.5-175.40108.7L501 G506L501-K504 PolarHBondContact O-N 2.81Å; K504-G506 VanDerWaalsContact C-N 3.34Å; K504-G506 PolarHBondContact O-N 3.48Å
505K52.8Low70.2Confident183 Ų183117.4 Ų117.480%0.79661%0.605SS**  trans-74.573.9-166.2-75.5-176.1175.8170.80113.7N503N503-K505 HydrophobicContact CB-CG 4.25Å; N503-K505 PolarHBondContact O-N 3.03Å; N503-K505 WeakPolarHBondContact OD1-CE 3.48Å
506G66.4Low71.5Confident44 Ų44117.3 Ų117.345%0.45460%0.602SS.*SBendtrans171.6160.9166.600000112.9K504 V508K504-G506 VanDerWaalsContact C-N 3.34Å; K504-G506 PolarHBondContact O-N 3.48Å; G506-V508 PolarHBondContact O-N 2.89Å
507P73Confident72.4Confident126 Ų126117 Ų11782%0.81860%0.602SS**SBendtrans-60120.1160.9-13.928.6000108.3G509P507-G509 PolarHBondContact O-N 2.74Å; P507-G509 VanDerWaalsContact O-N 3.13Å
508V75.6Confident72.9Confident62 Ų62116.2 Ų116.238%0.37659%0.586SS.*  trans-51.9118.9-178.1-1730000109.9G506 D512 F513 Y522G506-V508 PolarHBondContact O-N 2.89Å; V508-D512 WeakPolarHBondContact CA-OD2 3.35Å; V508-D512 HydrophobicContact CG1-CB 3.65Å; V508-F513 HydrophobicContact CG1-CE2 3.57Å; V508-F513 HydrophobicContact CG1-CZ 3.68Å; V508-Y522 HydrophobicContact CB-CE1 4.34Å; V508-Y522 HydrophobicContact CG1-CE1 4.36Å
509G80.1Confident73.9Confident16 Ų16110.1 Ų110.117%0.16556%0.559CS.*  trans-99175.4-176.300000112.5P507 W511 D512 F513P507-G509 PolarHBondContact O-N 2.74Å; P507-G509 VanDerWaalsContact O-N 3.13Å; G509-W511 PolarHBondContact O-N 3.06Å; G509-W511 VanDerWaalsContact O-N 3.15Å; G509-D512 PolarHBondContact N-OD2 2.71Å; G509-D512 PolarHBondContact O-N 2.9Å; G509-F513 WeakPolarHBondContact O-CD2 3.46Å; G509-F513 WeakPolarHBondContact O-CE2 3.21Å
510R83.4Confident74.9Confident164 Ų164107.2 Ų107.262%0.61955%0.55SS*.G310 helixtrans-60.6-21.6174.5-179.9172.4175.9-99.2-2.9113.4Q516 Y519R510-Q516 VanDerWaalsContact CZ-OE1 3.29Å; R510-Y519 HydrophobicContact CB-CD1 4.26Å; R510-Y519 HydrophobicContact CB-CD2 4.27Å; R510-Y519 HydrophobicContact CB-CE1 3.99Å; R510-Y519 HydrophobicContact CB-CE2 4Å; R510-Y519 HydrophobicContact CB-CG 4.39Å; R510-Y519 HydrophobicContact CG-CD1 3.84Å; R510-Y519 HydrophobicContact CG-CD2 4.5Å; R510-Y519 HydrophobicContact CG-CE1 3.93Å; R510-Y519 HydrophobicContact CG-CG 4.13Å
511W84.9Confident76.5Confident206 Ų206104.7 Ų104.778%0.7854%0.536SS*.G310 helixtrans-88.8-3.7-177.853.6-97.5000114G509 F513G509-W511 PolarHBondContact O-N 3.06Å; G509-W511 VanDerWaalsContact O-N 3.15Å; W511-F513 VanDerWaalsContact C-N 3.29Å
512D84.4Confident77.5Confident82 Ų82102 Ų10244%0.43952%0.518SS..G310 helixtrans-83.6-2.3173.5-70.5-67.5000113.1V508 G509V508-D512 WeakPolarHBondContact CA-OD2 3.35Å; V508-D512 HydrophobicContact CG1-CB 3.65Å; G509-D512 PolarHBondContact N-OD2 2.71Å; G509-D512 PolarHBondContact O-N 2.9Å
513F87Confident79.1Confident40 Ų40103.8 Ų103.818%0.17551%0.513CS..  trans-117.2139.3-177.8-58.7-83.5000110.5V508 G509 W511 E518 Y519 Y522V508-F513 HydrophobicContact CG1-CE2 3.57Å; V508-F513 HydrophobicContact CG1-CZ 3.68Å; G509-F513 WeakPolarHBondContact O-CD2 3.46Å; G509-F513 WeakPolarHBondContact O-CE2 3.21Å; W511-F513 VanDerWaalsContact C-N 3.29Å; F513-E518 HydrophobicContact CD1-CB 4.36Å; F513-E518 HydrophobicContact CD1-CG 3.79Å; F513-Y519 AromaticContact CD2-CD2 3.55Å; F513-Y519 HydrophobicContact CD2-CD2 3.55Å; F513-Y519 HydrophobicContact CD2-CG 4.19Å; F513-Y519 AromaticContact CE2-CD2 3.65Å; F513-Y519 HydrophobicContact CE2-CD2 3.65Å; F513-Y519 HydrophobicContact CE2-CE2 4.4Å; F513-Y519 HydrophobicContact CG-CD2 4.48Å; F513-Y522 HydrophobicContact CE1-CD1 4.45Å; F513-Y522 HydrophobicContact CE1-CD2 4.41Å; F513-Y522 AromaticContact CE1-CG 3.96Å; F513-Y522 HydrophobicContact CE1-CG 3.96Å; F513-Y522 AromaticContact CE2-CD1 3.66Å; F513-Y522 HydrophobicContact CE2-CD1 3.66Å; F513-Y522 HydrophobicContact CE2-CE1 4.19Å; F513-Y522 HydrophobicContact CE2-CG 4.01Å; F513-Y522 AromaticContact CZ-CD1 3.41Å; F513-Y522 HydrophobicContact CZ-CD1 3.41Å; F513-Y522 VanDerWaalsContact CZ-CD1 3.41Å; F513-Y522 AromaticContact CZ-CD2 3.82Å; F513-Y522 HydrophobicContact CZ-CD2 3.82Å; F513-Y522 HydrophobicContact CZ-CE1 4.05Å; F513-Y522 HydrophobicContact CZ-CE2 4.4Å; F513-Y522 AromaticContact CZ-CG 3.28Å; F513-Y522 HydrophobicContact CZ-CG 3.28Å
514E87.3Confident80.8Confident193 Ų193102 Ų10290%0.90251%0.51SS*.SBendtrans-77.1-29.6178.6-64-169.8167.700111.3E518E514-E518 PolarHBondContact N-OE2 3.41Å
515T86.1Confident82.2Confident75 Ų75100.9 Ų100.946%0.4651%0.512SS..SBendtrans-118.9140.3-174.4-38.20000111.8E517 E518 Y519T515-E517 HydrophobicContact CG2-CB 4.07Å; T515-E517 PolarHBondContact O-N 3.47Å; T515-E518 WeakPolarHBondContact O-CB 3.4Å; T515-E518 PolarHBondContact O-N 3.05Å; T515-Y519 PolarHBondContact O-N 3.28Å; T515-Y519 VanDerWaalsContact O-N 3.14Å
516Q86.5Confident83.6Confident89 Ų8997.5 Ų97.542%0.41650%0.497SS..Hα-helixtrans-63.9-30.2174.8175.758.366.800112.4R510 S520R510-Q516 VanDerWaalsContact CZ-OE1 3.29Å; Q516-S520 PolarHBondContact NE2-OG 3.44Å; Q516-S520 PolarHBondContact O-N 2.63Å; Q516-S520 VanDerWaalsContact O-N 3.1Å; Q516-S520 PolarHBondContact O-OG 2.73Å; Q516-S520 VanDerWaalsContact O-OG 3.09Å
517E86.3Confident83.9Confident144 Ų144103.4 Ų103.467%0.67351%0.513SS*.Hα-helixtrans-66.4-45.9175-163.4162.4-144.100110.9T515 Y519 S520 D521T515-E517 HydrophobicContact CG2-CB 4.07Å; T515-E517 PolarHBondContact O-N 3.47Å; E517-Y519 PolarHBondContact O-N 2.67Å; E517-S520 CarbonylContact O-C 3.59Å; E517-S520 WeakPolarHBondContact O-CA 3.44Å; E517-S520 VanDerWaalsContact O-CB 3.29Å; E517-S520 WeakPolarHBondContact O-CB 3.26Å; E517-S520 PolarHBondContact O-N 2.81Å; E517-D521 PolarHBondContact O-N 3.2Å
518E87.2Confident83.4Confident93 Ų93102 Ų10244%0.43551%0.512SS..Hα-helixtrans-60.4-40.8175.7-164.9-172.1-168.400112.9F513 E514 T515 S520 D521 Y522F513-E518 HydrophobicContact CD1-CB 4.36Å; F513-E518 HydrophobicContact CD1-CG 3.79Å; E514-E518 PolarHBondContact N-OE2 3.41Å; T515-E518 WeakPolarHBondContact O-CB 3.4Å; T515-E518 PolarHBondContact O-N 3.05Å; E518-S520 VanDerWaalsContact C-N 3.3Å; E518-S520 PolarHBondContact O-N 3.13Å; E518-D521 PolarHBondContact O-N 2.82Å; E518-Y522 WeakPolarHBondContact O-CB 3.35Å; E518-Y522 PolarHBondContact O-N 3.04Å
519Y89.1Confident83Confident54 Ų54104.2 Ų104.221%0.21252%0.521CS..Hα-helixtrans-65.3-33.7171.5177.4-115.1000112.5R510 F513 T515 E517 Y522 M523R510-Y519 HydrophobicContact CB-CD1 4.26Å; R510-Y519 HydrophobicContact CB-CD2 4.27Å; R510-Y519 HydrophobicContact CB-CE1 3.99Å; R510-Y519 HydrophobicContact CB-CE2 4Å; R510-Y519 HydrophobicContact CB-CG 4.39Å; R510-Y519 HydrophobicContact CG-CD1 3.84Å; R510-Y519 HydrophobicContact CG-CD2 4.5Å; R510-Y519 HydrophobicContact CG-CE1 3.93Å; R510-Y519 HydrophobicContact CG-CG 4.13Å; F513-Y519 AromaticContact CD2-CD2 3.55Å; F513-Y519 HydrophobicContact CD2-CD2 3.55Å; F513-Y519 HydrophobicContact CD2-CG 4.19Å; F513-Y519 AromaticContact CE2-CD2 3.65Å; F513-Y519 HydrophobicContact CE2-CD2 3.65Å; F513-Y519 HydrophobicContact CE2-CE2 4.4Å; F513-Y519 HydrophobicContact CG-CD2 4.48Å; T515-Y519 PolarHBondContact O-N 3.28Å; T515-Y519 VanDerWaalsContact O-N 3.14Å; E517-Y519 PolarHBondContact O-N 2.67Å; Y519-Y522 HydrophobicContact CD2-CD1 4.31Å; Y519-Y522 HydrophobicContact CE2-CD1 4.42Å; Y519-M523 HydrophobicContact CD2-CG 4.13Å; Y519-M523 HydrophobicContact CE1-CG 4.11Å; Y519-M523 HydrophobicContact CE2-CG 3.66Å; Y519-M523 HydrophobicContact CE2-SD 4.01Å; Y519-M523 WeakPolarHBondContact O-CB 3.25Å; Y519-M523 VanDerWaalsContact O-CG 3.25Å; Y519-M523 WeakPolarHBondContact O-CG 3.5Å; Y519-M523 PolarHBondContact O-N 3.39Å
520S86.9Confident82.5Confident53 Ų53107.7 Ų107.737%0.37154%0.541SS..Hα-helixtrans-70.7-40.5176.9-72.20000111.9Q516 E517 E518 M523 S524Q516-S520 PolarHBondContact NE2-OG 3.44Å; Q516-S520 PolarHBondContact O-N 2.63Å; Q516-S520 VanDerWaalsContact O-N 3.1Å; Q516-S520 PolarHBondContact O-OG 2.73Å; Q516-S520 VanDerWaalsContact O-OG 3.09Å; E517-S520 CarbonylContact O-C 3.59Å; E517-S520 WeakPolarHBondContact O-CA 3.44Å; E517-S520 VanDerWaalsContact O-CB 3.29Å; E517-S520 WeakPolarHBondContact O-CB 3.26Å; E517-S520 PolarHBondContact O-N 2.81Å; E518-S520 VanDerWaalsContact C-N 3.3Å; E518-S520 PolarHBondContact O-N 3.13Å; S520-M523 PolarHBondContact O-N 2.96Å; S520-S524 WeakPolarHBondContact O-CB 3.38Å; S520-S524 PolarHBondContact O-N 3.49Å; S520-S524 PolarHBondContact O-OG 3.06Å
521D88.5Confident81.5Confident99 Ų99108.9 Ų108.953%0.52955%0.551SS.*Hα-helixtrans-65.2-44172.5-72.2-17.1000111.8E517 E518 M523 S524 N525E517-D521 PolarHBondContact O-N 3.2Å; E518-D521 PolarHBondContact O-N 2.82Å; D521-M523 VanDerWaalsContact C-N 3.33Å; D521-M523 PolarHBondContact O-N 2.81Å; D521-S524 PolarHBondContact O-N 3.02Å; D521-S524 VanDerWaalsContact O-N 3.13Å; D521-N525 WeakPolarHBondContact O-CB 3.48Å; D521-N525 PolarHBondContact O-N 3.25Å
522Y87Confident80.4Confident68 Ų68102.5 Ų102.527%0.26754%0.541SS..Hα-helixtrans-56.8-45.2173.4169.8-108.8000112.2V508 F513 E518 Y519 S524 K526V508-Y522 HydrophobicContact CB-CE1 4.34Å; V508-Y522 HydrophobicContact CG1-CE1 4.36Å; F513-Y522 HydrophobicContact CE1-CD1 4.45Å; F513-Y522 HydrophobicContact CE1-CD2 4.41Å; F513-Y522 AromaticContact CE1-CG 3.96Å; F513-Y522 HydrophobicContact CE1-CG 3.96Å; F513-Y522 AromaticContact CE2-CD1 3.66Å; F513-Y522 HydrophobicContact CE2-CD1 3.66Å; F513-Y522 HydrophobicContact CE2-CE1 4.19Å; F513-Y522 HydrophobicContact CE2-CG 4.01Å; F513-Y522 AromaticContact CZ-CD1 3.41Å; F513-Y522 HydrophobicContact CZ-CD1 3.41Å; F513-Y522 VanDerWaalsContact CZ-CD1 3.41Å; F513-Y522 AromaticContact CZ-CD2 3.82Å; F513-Y522 HydrophobicContact CZ-CD2 3.82Å; F513-Y522 HydrophobicContact CZ-CE1 4.05Å; F513-Y522 HydrophobicContact CZ-CE2 4.4Å; F513-Y522 AromaticContact CZ-CG 3.28Å; F513-Y522 HydrophobicContact CZ-CG 3.28Å; E518-Y522 WeakPolarHBondContact O-CB 3.35Å; E518-Y522 PolarHBondContact O-N 3.04Å; Y519-Y522 HydrophobicContact CD2-CD1 4.31Å; Y519-Y522 HydrophobicContact CE2-CD1 4.42Å; Y522-S524 VanDerWaalsContact C-N 3.31Å; Y522-S524 PolarHBondContact O-N 3.39Å; Y522-K526 HydrophobicContact CE1-CD 4.31Å; Y522-K526 WeakPolarHBondContact O-CB 3.27Å; Y522-K526 PolarHBondContact O-N 2.82Å; Y522-K526 PolarHBondContact OH-NZ 3.48Å
523M86Confident79.2Confident92 Ų92101.5 Ų101.545%0.45355%0.545SS..Hα-helixtrans-71.6-24.9178.6-71.2-66.4-66.700113Y519 S520 D521 K526Y519-M523 HydrophobicContact CD2-CG 4.13Å; Y519-M523 HydrophobicContact CE1-CG 4.11Å; Y519-M523 HydrophobicContact CE2-CG 3.66Å; Y519-M523 HydrophobicContact CE2-SD 4.01Å; Y519-M523 WeakPolarHBondContact O-CB 3.25Å; Y519-M523 VanDerWaalsContact O-CG 3.25Å; Y519-M523 WeakPolarHBondContact O-CG 3.5Å; Y519-M523 PolarHBondContact O-N 3.39Å; S520-M523 PolarHBondContact O-N 2.96Å; D521-M523 VanDerWaalsContact C-N 3.33Å; D521-M523 PolarHBondContact O-N 2.81Å; M523-K526 HydrophobicContact SD-CD 4.44Å
524S84.1Confident77.8Confident95 Ų95106 Ų10666%0.66457%0.565SS**Hα-helixtrans-81.2-38.1177.9-59.10000112.1S520 D521 Y522 K526S520-S524 WeakPolarHBondContact O-CB 3.38Å; S520-S524 PolarHBondContact O-N 3.49Å; S520-S524 PolarHBondContact O-OG 3.06Å; D521-S524 PolarHBondContact O-N 3.02Å; D521-S524 VanDerWaalsContact O-N 3.13Å; Y522-S524 VanDerWaalsContact C-N 3.31Å; Y522-S524 PolarHBondContact O-N 3.39Å; S524-K526 PolarHBondContact O-N 2.92Å
525N84.5Confident76.6Confident141 Ų141103.6 Ų103.675%0.75455%0.553SS**SBendtrans-77.1-5.7173.3-72.1-4.7000113.3D521 E527D521-N525 WeakPolarHBondContact O-CB 3.48Å; D521-N525 PolarHBondContact O-N 3.25Å; N525-E527 VanDerWaalsContact C-N 3.28Å; N525-E527 PolarHBondContact O-N 2.99Å
526K80.8Confident74.9Confident111 Ų111110.5 Ų110.548%0.48357%0.572SS.*  trans-78.678.8179.7-162.8167.6-171.11640110.9Y522 M523 S524 A528Y522-K526 HydrophobicContact CE1-CD 4.31Å; Y522-K526 WeakPolarHBondContact O-CB 3.27Å; Y522-K526 PolarHBondContact O-N 2.82Å; Y522-K526 PolarHBondContact OH-NZ 3.48Å; M523-K526 HydrophobicContact SD-CD 4.44Å; S524-K526 PolarHBondContact O-N 2.92Å; K526-A528 PolarHBondContact O-N 3.05Å
527E73.1Confident73.6Confident168 Ų168109.9 Ų109.979%0.78559%0.59SS**  trans-51.1130178.1-164.5170.7-142.800111.2N525 L529N525-E527 VanDerWaalsContact C-N 3.28Å; N525-E527 PolarHBondContact O-N 2.99Å; E527-L529 VanDerWaalsContact C-N 3.27Å; E527-L529 PolarHBondContact O-N 2.88Å
528A63.4Low72.3Confident96 Ų96107.7 Ų107.779%0.79359%0.586SS**  trans-78.570.3-164.900000112.6K526 P530K526-A528 PolarHBondContact O-N 3.05Å; A528-P530 WeakPolarHBondContact O-CD 2.96Å
529L65.4Low71.3Confident110 Ų110112.9 Ų112.958%0.57661%0.607SS**  trans-58.1124.4173.6-76.7152.8000110.6E527 K531 F534E527-L529 VanDerWaalsContact C-N 3.27Å; E527-L529 PolarHBondContact O-N 2.88Å; L529-K531 PolarHBondContact O-N 3.13Å; L529-K531 VanDerWaalsContact O-N 3.14Å; L529-F534 HydrophobicContact CB-CE2 3.84Å; L529-F534 HydrophobicContact CD1-CE2 3.94Å; L529-F534 HydrophobicContact CD1-CZ 4.08Å; L529-F534 HydrophobicContact CD2-CE2 4.2Å; L529-F534 HydrophobicContact CD2-CZ 4.31Å; L529-F534 HydrophobicContact CG-CE2 4.21Å
530P69.8Low69.7Low88 Ų88116.7 Ų116.757%0.57163%0.629SS**  trans-58.4120.8178.1-25.134.3000110.8A528 A532 A533A528-P530 WeakPolarHBondContact O-CD 2.96Å; P530-A532 PolarHBondContact O-N 2.96Å; P530-A533 HydrophobicContact CB-CB 4.47Å; P530-A533 VanDerWaalsContact O-CB 3.3Å; P530-A533 WeakPolarHBondContact O-CB 3.38Å; P530-A533 PolarHBondContact O-N 3.12Å
531K64.1Low68Low190 Ų190117.8 Ų117.883%0.82664%0.641SS**THydrogen-bonded Turntrans-58-24.6-176.7-147.6172.1-173.4177.30113.3L529L529-K531 PolarHBondContact O-N 3.13Å; L529-K531 VanDerWaalsContact O-N 3.14Å
532A60.4Low66.1Low71 Ų71120.4 Ų120.459%0.58766%0.655SS**THydrogen-bonded Turntrans-69.9-28.5173.500000114P530 F534 Q535P530-A532 PolarHBondContact O-N 2.96Å; A532-F534 PolarHBondContact O-N 3.26Å; A532-Q535 WeakPolarHBondContact O-CB 3.37Å; A532-Q535 PolarHBondContact O-N 3.12Å; A532-Q535 VanDerWaalsContact O-N 3.09Å
533A58.6Low64.3Low61 Ų61120.8 Ų120.850%0.50468%0.68SS.*G310 helixtrans-64.8-39.3-17800000112P530 Q535P530-A533 HydrophobicContact CB-CB 4.47Å; P530-A533 VanDerWaalsContact O-CB 3.3Å; P530-A533 WeakPolarHBondContact O-CB 3.38Å; P530-A533 PolarHBondContact O-N 3.12Å; A533-Q535 VanDerWaalsContact C-N 3.31Å
534F59.5Low62.3Low136 Ų136124.9 Ų124.960%0.59669%0.69SS**G310 helixtrans-79.7-9.4174-66-70.2000114.2L529 A532 V538L529-F534 HydrophobicContact CB-CE2 3.84Å; L529-F534 HydrophobicContact CD1-CE2 3.94Å; L529-F534 HydrophobicContact CD1-CZ 4.08Å; L529-F534 HydrophobicContact CD2-CE2 4.2Å; L529-F534 HydrophobicContact CD2-CZ 4.31Å; L529-F534 HydrophobicContact CG-CE2 4.21Å; A532-F534 PolarHBondContact O-N 3.26Å; F534-V538 VanDerWaalsContact O-CG2 3.31Å; F534-V538 WeakPolarHBondContact O-CG2 3.48Å
535Q60.8Low60.7Low141 Ų141130.8 Ų130.866%0.65970%0.698SS**G310 helixtrans-85.1-15.3178.3-157.5166.7000111.9A532 A533A532-Q535 WeakPolarHBondContact O-CB 3.37Å; A532-Q535 PolarHBondContact O-N 3.12Å; A532-Q535 VanDerWaalsContact O-N 3.09Å; A533-Q535 VanDerWaalsContact C-N 3.31Å
536Y50.6Low58.9Low220 Ų220128.3 Ų128.386%0.86369%0.688SS**SBendtrans-85.4122.6168-159.2-98000109.8
537G59.1Low57.5Low76 Ų76133.4 Ų133.478%0.78470%0.704SS**SBendtrans98.6-29.1-179.200000115.2K539G537-K539 PolarHBondContact O-N 3.08Å
538V60.1Low56.7Low99 Ų99136.3 Ų136.360%0.671%0.708SS**  trans-77.494.4170.8-178.40000109.4F534 M540F534-V538 VanDerWaalsContact O-CG2 3.31Å; F534-V538 WeakPolarHBondContact O-CG2 3.48Å; V538-M540 PolarHBondContact O-N 2.8Å
539K64.8Low56.3Low201 Ų201135.8 Ų135.887%0.87469%0.691SS**  trans-61.697172.1-177174.2-178.21710109.6G537 A541G537-K539 PolarHBondContact O-N 3.08Å; K539-A541 PolarHBondContact O-N 2.87Å
540M55.6Low55.8Low134 Ų134132 Ų13266%0.6668%0.679SS**  trans-47.7133.1168.3-70.5-73.3-81.400108.8V538 D542V538-M540 PolarHBondContact O-N 2.8Å; M540-D542 HydrophobicContact CB-CB 4.04Å; M540-D542 PolarHBondContact O-N 2.86Å
541A52.2Low55.5Low77 Ų77133 Ų13364%0.63669%0.686SS**  trans-74.535.6175.800000111.9K539 G543 R544K539-A541 PolarHBondContact O-N 2.87Å; A541-G543 VanDerWaalsContact C-N 3.27Å; A541-G543 PolarHBondContact O-N 3.36Å; A541-R544 HydrophobicContact CB-CB 4.47Å; A541-R544 PolarHBondContact O-N 2.9Å
542D48.9Very low55.5Low153 Ų153132.5 Ų132.582%0.81868%0.683SS**THydrogen-bonded Turntrans-78.476.3-172.6-160.916.9000109.6M540M540-D542 HydrophobicContact CB-CB 4.04Å; M540-D542 PolarHBondContact O-N 2.86Å
543G49.3Very low56Low77 Ų77133.4 Ų133.479%0.79468%0.678SS**THydrogen-bonded Turntrans151-21-16400000112.9A541A541-G543 VanDerWaalsContact C-N 3.27Å; A541-G543 PolarHBondContact O-N 3.36Å
544R44.1Very low57Low178 Ų178136.5 Ų136.567%0.67268%0.682SS**  trans-99.275.5159.1-84.6-172.4175.4176.32.7109.8A541 T546A541-R544 HydrophobicContact CB-CB 4.47Å; A541-R544 PolarHBondContact O-N 2.9Å; R544-T546 PolarHBondContact O-N 3.47Å
545R49.8Very low58.2Low219 Ų219137.5 Ų137.583%0.82669%0.686SS**  trans-48137.9151.6-109.7-177.2167-163-3.8108.2
546T47.2Very low59.4Low89 Ų89133 Ų13355%0.54667%0.673SS.*  trans-57.3143.3-158.871.60000112.3R544 R548 I549R544-T546 PolarHBondContact O-N 3.47Å; T546-R548 PolarHBondContact O-N 3.35Å; T546-I549 PolarHBondContact O-N 3.13Å
547R50.8Low61.1Low218 Ų218126.3 Ų126.382%0.82365%0.65SS**THydrogen-bonded Turntrans-7039172.2-71.7-173170.1-166.9-2.8112.8
548R55.4Low62.6Low228 Ų228128.1 Ų128.186%0.8664%0.641SS**THydrogen-bonded Turntrans-138.9-7.3178.2-69.6-162.5178.4-135.80.8114.6T546 G550T546-R548 PolarHBondContact O-N 3.35Å; R548-G550 PolarHBondContact O-N 3.41Å
549I55.1Low64.1Low85 Ų85127.2 Ų127.244%0.43663%0.633SS.*  trans-88.989.7170.8-56.5161000107.4T546 D553T546-I549 PolarHBondContact O-N 3.13Å; I549-D553 HydrophobicContact CG2-CB 4.3Å
550G55.5Low65.4Low32 Ų32125.5 Ų125.533%0.3362%0.621SS.*  trans-83168.517100000111.4R548 K552 D553R548-G550 PolarHBondContact O-N 3.41Å; G550-K552 PolarHBondContact O-N 2.94Å; G550-D553 PolarHBondContact O-N 3.28Å; G550-D553 VanDerWaalsContact O-N 3.08Å
551P62.9Low67.3Low109 Ų109123.5 Ų123.571%0.70861%0.61SS**Hα-helixtrans-61-1.4178.625.2-35.4000114.8K555P551-K555 PolarHBondContact O-N 2.92Å
552K65.2Low69.3Low178 Ų178124 Ų12477%0.77460%0.601SS**Hα-helixtrans-75.7-31.6174.4-152.9175.2-175.3-1780112.5G550 A556G550-K552 PolarHBondContact O-N 2.94Å; K552-A556 PolarHBondContact O-N 3.05Å; K552-A556 VanDerWaalsContact O-N 3.12Å
553D71.3Confident71.5Confident90 Ų90121.9 Ų121.948%0.48159%0.586SS.*Hα-helixtrans-77.3-39.4177.9-70.2-21.6000111.4I549 G550 K555 A556 E557I549-D553 HydrophobicContact CG2-CB 4.3Å; G550-D553 PolarHBondContact O-N 3.28Å; G550-D553 VanDerWaalsContact O-N 3.08Å; D553-K555 VanDerWaalsContact C-N 3.29Å; D553-K555 PolarHBondContact O-N 3.35Å; D553-A556 PolarHBondContact O-N 3.49Å; D553-A556 VanDerWaalsContact O-N 3.13Å; D553-E557 WeakPolarHBondContact O-CB 3.45Å; D553-E557 PolarHBondContact O-N 3.4Å
554E79.2Confident73.7Confident126 Ų126125 Ų12559%0.58958%0.579SS**Hα-helixtrans-58.9-42171.3-68.3-177.5165.400111.2A556 E557 L558E554-A556 PolarHBondContact O-N 3.48Å; E554-E557 PolarHBondContact O-N 2.84Å; E554-L558 WeakPolarHBondContact O-CB 3.28Å; E554-L558 VanDerWaalsContact O-CG 3.25Å; E554-L558 WeakPolarHBondContact O-CG 3.27Å; E554-L558 PolarHBondContact O-N 3.42Å
555K85.2Confident76Confident157 Ų157121.1 Ų121.168%0.68357%0.57SS**Hα-helixtrans-63.6-38.5174.3-173.7173.7179.9177.30112.7P551 D553 D559P551-K555 PolarHBondContact O-N 2.92Å; D553-K555 VanDerWaalsContact C-N 3.29Å; D553-K555 PolarHBondContact O-N 3.35Å; K555-D559 WeakPolarHBondContact O-CB 3.25Å; K555-D559 PolarHBondContact O-N 3.27Å
556A84.6Confident78.1Confident46 Ų46115.4 Ų115.438%0.3855%0.552SS.*Hα-helixtrans-69.5-36.4177.400000112.2K552 D553 E554 D559 R560K552-A556 PolarHBondContact O-N 3.05Å; K552-A556 VanDerWaalsContact O-N 3.12Å; D553-A556 PolarHBondContact O-N 3.49Å; D553-A556 VanDerWaalsContact O-N 3.13Å; E554-A556 PolarHBondContact O-N 3.48Å; A556-D559 PolarHBondContact O-N 3.02Å; A556-R560 WeakPolarHBondContact O-CG 3.49Å; A556-R560 PolarHBondContact O-N 2.72Å
557E86.9Confident80.3Confident80 Ų80113.4 Ų113.437%0.37454%0.542SS..Hα-helixtrans-71.5-41.3175.5-174.252.7-148.800111.7D553 E554 D559 R560 Q561D553-E557 WeakPolarHBondContact O-CB 3.45Å; D553-E557 PolarHBondContact O-N 3.4Å; E554-E557 PolarHBondContact O-N 2.84Å; E557-D559 VanDerWaalsContact C-N 3.31Å; E557-D559 PolarHBondContact O-N 2.92Å; E557-R560 PolarHBondContact O-N 3.08Å; E557-R560 IonicContact OE2-NH1 2.62Å; E557-Q561 WeakPolarHBondContact O-CB 3.39Å; E557-Q561 VanDerWaalsContact O-CG 3.3Å; E557-Q561 WeakPolarHBondContact O-CG 3.38Å; E557-Q561 PolarHBondContact O-N 2.92Å; E557-Q561 PolarHBondContact OE1-NE2 2.95Å
558L90Very high82.2Confident114 Ų114106.5 Ų106.560%0.59752%0.521SS*.Hα-helixtrans-59.5-39.1171.1-74.1170.3000112.2E554 Q561 L562E554-L558 WeakPolarHBondContact O-CB 3.28Å; E554-L558 VanDerWaalsContact O-CG 3.25Å; E554-L558 WeakPolarHBondContact O-CG 3.27Å; E554-L558 PolarHBondContact O-N 3.42Å; L558-Q561 PolarHBondContact O-N 2.85Å; L558-L562 VanDerWaalsContact O-CB 3.28Å; L558-L562 WeakPolarHBondContact O-CB 3.36Å; L558-L562 PolarHBondContact O-N 3.44Å
559D92.6Very high83.9Confident80 Ų80100.5 Ų100.543%0.42851%0.505SS..Hα-helixtrans-68.6-40.7176.7-166.655.4000112.1K555 A556 E557 Q561 L562 Q563K555-D559 WeakPolarHBondContact O-CB 3.25Å; K555-D559 PolarHBondContact O-N 3.27Å; A556-D559 PolarHBondContact O-N 3.02Å; E557-D559 VanDerWaalsContact C-N 3.31Å; E557-D559 PolarHBondContact O-N 2.92Å; D559-Q561 PolarHBondContact O-N 2.85Å; D559-L562 PolarHBondContact O-N 2.87Å; D559-Q563 VanDerWaalsContact O-CG 3.27Å; D559-Q563 WeakPolarHBondContact O-CG 3.34Å; D559-Q563 PolarHBondContact O-N 3.44Å; D559-Q563 PolarHBondContact OD2-NE2 3.27Å
560R92.7Very high85.6Confident166 Ų166102.6 Ų102.663%0.62651%0.513SS*.Hα-helixtrans-60.7-43.5171.1-73.3171.8179173.6-0.3112.3A556 E557 Q563 K564A556-R560 WeakPolarHBondContact O-CG 3.49Å; A556-R560 PolarHBondContact O-N 2.72Å; E557-R560 PolarHBondContact O-N 3.08Å; E557-R560 IonicContact OE2-NH1 2.62Å; R560-Q563 PolarHBondContact O-N 3.29Å; R560-K564 WeakPolarHBondContact O-CB 3.27Å; R560-K564 PolarHBondContact O-N 2.91Å
561Q94Very high87.3Confident91 Ų91107.4 Ų107.443%0.42553%0.525SS..Hα-helixtrans-66.9-39.8178-71.217817.600111.3E557 L558 D559 K564 I565E557-Q561 WeakPolarHBondContact O-CB 3.39Å; E557-Q561 VanDerWaalsContact O-CG 3.3Å; E557-Q561 WeakPolarHBondContact O-CG 3.38Å; E557-Q561 PolarHBondContact O-N 2.92Å; E557-Q561 PolarHBondContact OE1-NE2 2.95Å; L558-Q561 PolarHBondContact O-N 2.85Å; D559-Q561 PolarHBondContact O-N 2.85Å; Q561-K564 PolarHBondContact O-N 3.43Å; Q561-I565 WeakPolarHBondContact O-CB 3.3Å; Q561-I565 VanDerWaalsContact O-CG1 3.27Å; Q561-I565 WeakPolarHBondContact O-CG1 3.45Å; Q561-I565 PolarHBondContact O-N 3.3Å
562L94.3Very high88.5Confident87 Ų87110.8 Ų110.846%0.45552%0.523SS..Hα-helixtrans-60.4-48.1173.4-176.369.3000111.5L558 D559 K564 I565 Q566L558-L562 VanDerWaalsContact O-CB 3.28Å; L558-L562 WeakPolarHBondContact O-CB 3.36Å; L558-L562 PolarHBondContact O-N 3.44Å; D559-L562 PolarHBondContact O-N 2.87Å; L562-K564 VanDerWaalsContact C-N 3.32Å; L562-K564 PolarHBondContact O-N 3.13Å; L562-I565 PolarHBondContact O-N 3.39Å; L562-Q566 WeakPolarHBondContact O-CB 3.5Å; L562-Q566 WeakPolarHBondContact O-CG 3.37Å; L562-Q566 PolarHBondContact O-N 3.25Å
563Q95.6Very high89.6Confident109 Ų109108.2 Ų108.251%0.50951%0.512SS..Hα-helixtrans-60.3-41.3175.4-70.1172.72400111.6D559 R560 Q566 S567D559-Q563 VanDerWaalsContact O-CG 3.27Å; D559-Q563 WeakPolarHBondContact O-CG 3.34Å; D559-Q563 PolarHBondContact O-N 3.44Å; D559-Q563 PolarHBondContact OD2-NE2 3.27Å; R560-Q563 PolarHBondContact O-N 3.29Å; Q563-Q566 PolarHBondContact O-N 2.86Å; Q563-S567 PolarHBondContact O-N 2.91Å
564K94.8Very high90.2Very high144 Ų144109.6 Ų109.663%0.62652%0.516SS*.Hα-helixtrans-62-45.9175.2-167.3175.9-177.5-178.40111.4R560 Q561 L562 S567 I568R560-K564 WeakPolarHBondContact O-CB 3.27Å; R560-K564 PolarHBondContact O-N 2.91Å; Q561-K564 PolarHBondContact O-N 3.43Å; L562-K564 VanDerWaalsContact C-N 3.32Å; L562-K564 PolarHBondContact O-N 3.13Å; K564-S567 PolarHBondContact O-N 3.02Å; K564-S567 PolarHBondContact O-OG 2.89Å; K564-I568 HydrophobicContact CG-CD1 4.4Å; K564-I568 WeakPolarHBondContact O-CG1 3.49Å; K564-I568 PolarHBondContact O-N 3.39Å; K564-I568 VanDerWaalsContact O-N 3.08Å
565I92.5Very high90.1Very high95 Ų95109.4 Ų109.449%0.48752%0.518SS..Hα-helixtrans-61.8-45.7176.1-70.2163.8000110.9Q561 L562 S567 I568 I569Q561-I565 WeakPolarHBondContact O-CB 3.3Å; Q561-I565 VanDerWaalsContact O-CG1 3.27Å; Q561-I565 WeakPolarHBondContact O-CG1 3.45Å; Q561-I565 PolarHBondContact O-N 3.3Å; L562-I565 PolarHBondContact O-N 3.39Å; I565-S567 VanDerWaalsContact C-N 3.32Å; I565-S567 PolarHBondContact O-N 3.46Å; I565-I568 PolarHBondContact O-N 3.43Å; I565-I568 VanDerWaalsContact O-N 3.13Å; I565-I569 HydrophobicContact CG2-CD1 3.79Å; I565-I569 HydrophobicContact CG2-CG1 4.41Å; I565-I569 WeakPolarHBondContact O-CG1 3.37Å; I565-I569 PolarHBondContact O-N 3.45Å
566Q94.4Very high89.7Confident99 Ų99105 Ų10546%0.46351%0.511SS..Hα-helixtrans-58.9-41.9175.9-73.7175.8-3.100111.9L562 Q563 I568 I569 Q570L562-Q566 WeakPolarHBondContact O-CB 3.5Å; L562-Q566 WeakPolarHBondContact O-CG 3.37Å; L562-Q566 PolarHBondContact O-N 3.25Å; Q563-Q566 PolarHBondContact O-N 2.86Å; Q566-I568 VanDerWaalsContact C-N 3.33Å; Q566-I568 PolarHBondContact O-N 3Å; Q566-I569 PolarHBondContact O-N 3.31Å; Q566-Q570 WeakPolarHBondContact O-CG 3.43Å; Q566-Q570 PolarHBondContact O-N 2.97Å
567S93.7Very high89.1Confident48 Ų48109 Ų10934%0.33652%0.522SS..Hα-helixtrans-63.9-35.8175.881.30000112.9Q563 K564 I565 K571Q563-S567 PolarHBondContact O-N 2.91Å; K564-S567 PolarHBondContact O-N 3.02Å; K564-S567 PolarHBondContact O-OG 2.89Å; I565-S567 VanDerWaalsContact C-N 3.32Å; I565-S567 PolarHBondContact O-N 3.46Å; S567-K571 WeakPolarHBondContact O-CB 3.49Å; S567-K571 WeakPolarHBondContact O-CG 3.35Å; S567-K571 PolarHBondContact O-N 3.34Å
568I91.5Very high88.2Confident72 Ų72112 Ų11237%0.36954%0.541SS..Hα-helixtrans-70-40.6175.7-67.4164.4000110.5K564 I565 Q566 K571 R572K564-I568 HydrophobicContact CG-CD1 4.4Å; K564-I568 WeakPolarHBondContact O-CG1 3.49Å; K564-I568 PolarHBondContact O-N 3.39Å; K564-I568 VanDerWaalsContact O-N 3.08Å; I565-I568 PolarHBondContact O-N 3.43Å; I565-I568 VanDerWaalsContact O-N 3.13Å; Q566-I568 VanDerWaalsContact C-N 3.33Å; Q566-I568 PolarHBondContact O-N 3Å; I568-K571 PolarHBondContact O-N 2.92Å; I568-R572 WeakPolarHBondContact O-CB 3.46Å; I568-R572 WeakPolarHBondContact O-CG 3.3Å; I568-R572 PolarHBondContact O-N 2.84Å
569I90.2Very high86.7Confident103 Ų103110.9 Ų110.953%0.52854%0.542SS..Hα-helixtrans-63.3-44.3175.5-68.2167.6000110.6I565 Q566 R572 K573I565-I569 HydrophobicContact CG2-CD1 3.79Å; I565-I569 HydrophobicContact CG2-CG1 4.41Å; I565-I569 WeakPolarHBondContact O-CG1 3.37Å; I565-I569 PolarHBondContact O-N 3.45Å; Q566-I569 PolarHBondContact O-N 3.31Å; I569-R572 PolarHBondContact O-N 2.96Å; I569-K573 WeakPolarHBondContact O-CB 3.16Å; I569-K573 PolarHBondContact O-N 3.08Å
570Q90.5Very high84.8Confident129 Ų129109.3 Ų109.360%0.60355%0.545SS*.Hα-helixtrans-62-46.6176.3-74.5177.7-8.800112.1Q566 R572 K573 Q574Q566-Q570 WeakPolarHBondContact O-CG 3.43Å; Q566-Q570 PolarHBondContact O-N 2.97Å; Q570-R572 PolarHBondContact O-N 3.17Å; Q570-K573 PolarHBondContact O-N 3.23Å; Q570-Q574 WeakPolarHBondContact O-CG 3.43Å; Q570-Q574 PolarHBondContact O-N 3.11Å
571K91.8Very high82.7Confident133 Ų133108.1 Ų108.158%0.57856%0.559SS**Hα-helixtrans-59.9-43.2174.7-75.6179.4177.4-175.40112.3S567 I568 Q574 L575S567-K571 WeakPolarHBondContact O-CB 3.49Å; S567-K571 WeakPolarHBondContact O-CG 3.35Å; S567-K571 PolarHBondContact O-N 3.34Å; I568-K571 PolarHBondContact O-N 2.92Å; K571-Q574 PolarHBondContact O-N 3.2Å; K571-L575 WeakPolarHBondContact O-CB 3.48Å; K571-L575 WeakPolarHBondContact O-CD1 3.39Å; K571-L575 WeakPolarHBondContact O-CG 3.4Å; K571-L575 PolarHBondContact O-N 3.2Å
572R88Confident80.8Confident180 Ų180110.7 Ų110.768%0.67958%0.581SS**Hα-helixtrans-65.7-35.3175.6-77.7-179.2173.8168.1-1.6112.6I568 I569 Q570 A576I568-R572 WeakPolarHBondContact O-CB 3.46Å; I568-R572 WeakPolarHBondContact O-CG 3.3Å; I568-R572 PolarHBondContact O-N 2.84Å; I569-R572 PolarHBondContact O-N 2.96Å; Q570-R572 PolarHBondContact O-N 3.17Å; R572-A576 VanDerWaalsContact O-CB 3.3Å; R572-A576 WeakPolarHBondContact O-CB 3.43Å; R572-A576 PolarHBondContact O-N 2.94Å
573K88.1Confident78.5Confident123 Ų123109.4 Ų109.454%0.53559%0.588SS.*Hα-helixtrans-67.4-42.9175.3-171.2174.5-174.7-83.50111.7I569 Q570 A576 E577I569-K573 WeakPolarHBondContact O-CB 3.16Å; I569-K573 PolarHBondContact O-N 3.08Å; Q570-K573 PolarHBondContact O-N 3.23Å; K573-A576 PolarHBondContact O-N 3.13Å; K573-E577 WeakPolarHBondContact CE-OE1 3.36Å; K573-E577 IonicContact NZ-OE1 3.26Å; K573-E577 PolarHBondContact NZ-OE1 2.87Å; K573-E577 IonicContact NZ-OE2 2.74Å; K573-E577 PolarHBondContact O-N 3.03Å
574Q82.8Confident76.3Confident120 Ų120113.5 Ų113.556%0.56160%0.604SS**Hα-helixtrans-59.9-49.3173.7-71.8170.2-12.200111Q570 K571 A576 E577 D578Q570-Q574 WeakPolarHBondContact O-CG 3.43Å; Q570-Q574 PolarHBondContact O-N 3.11Å; K571-Q574 PolarHBondContact O-N 3.2Å; Q574-A576 PolarHBondContact O-N 2.6Å; Q574-E577 PolarHBondContact O-N 3.03Å; Q574-E577 VanDerWaalsContact O-N 3.08Å; Q574-D578 PolarHBondContact O-N 3.06Å
575L78.8Confident73.8Confident121 Ų121114 Ų11463%0.63461%0.613SS**Hα-helixtrans-60-29.8175.3-73.6163.2000113.7K571 S579K571-L575 WeakPolarHBondContact O-CB 3.48Å; K571-L575 WeakPolarHBondContact O-CD1 3.39Å; K571-L575 WeakPolarHBondContact O-CG 3.4Å; K571-L575 PolarHBondContact O-N 3.2Å; L575-S579 WeakPolarHBondContact O-CB 3.49Å; L575-S579 PolarHBondContact O-N 2.98Å
576A75.2Confident71.9Confident66 Ų66116.2 Ų116.255%0.54563%0.631SS.*Hα-helixtrans-83-22.7176.200000113.7R572 K573 Q574R572-A576 VanDerWaalsContact O-CB 3.3Å; R572-A576 WeakPolarHBondContact O-CB 3.43Å; R572-A576 PolarHBondContact O-N 2.94Å; K573-A576 PolarHBondContact O-N 3.13Å; Q574-A576 PolarHBondContact O-N 2.6Å
577E72.7Confident69.9Low128 Ų128122.2 Ų122.260%0.59865%0.65SS**Hα-helixtrans-81.4-35.6172.5-75.9174.817600111.3K573 Q574K573-E577 WeakPolarHBondContact CE-OE1 3.36Å; K573-E577 IonicContact NZ-OE1 3.26Å; K573-E577 PolarHBondContact NZ-OE1 2.87Å; K573-E577 IonicContact NZ-OE2 2.74Å; K573-E577 PolarHBondContact O-N 3.03Å; Q574-E577 PolarHBondContact O-N 3.03Å; Q574-E577 VanDerWaalsContact O-N 3.08Å
578D67.2Low67.5Low144 Ų144133.1 Ų133.177%0.7769%0.692SS**Hα-helixtrans-72.3-26.9171.9-72.7-28.3000112.9Q574Q574-D578 PolarHBondContact O-N 3.06Å
579S59.8Low66.3Low90 Ų90136.2 Ų136.263%0.62971%0.708SS**SBendtrans-104.979.5179.7-162.20000111.5L575L575-S579 WeakPolarHBondContact O-CB 3.49Å; L575-S579 PolarHBondContact O-N 2.98Å
580G52Low65Low48 Ų48137.9 Ų137.950%0.49572%0.717SS.*  trans-54.7161-178.600000115.3V582G580-V582 PolarHBondContact O-N 2.86Å
581P49.1Very low63.6Low140 Ų140138.4 Ų138.491%0.90972%0.724SS**  trans-74.2103.2-152.128.4-36.8000114.7
582V53.8Low61.9Low146 Ų146138.8 Ų138.889%0.88573%0.732SS**  trans-114.1126.8156-168.30000106.9G580G580-V582 PolarHBondContact O-N 2.86Å
583G47Very low60.3Low59 Ų59136.2 Ų136.261%0.60874%0.735SS**  cis143.372.38.800000111.1
584K48Very low58.4Low196 Ų196137.1 Ų137.185%0.85275%0.749SS**  trans79.8115.3162.4-51.4166.2-175.6172.60118.9
585N43.4Very low56.7Low153 Ų153138.3 Ų138.382%0.81876%0.762SS**  46.8102.8123.8-55.8-11.7000121.4
586V53Low55Low142 Ų142139.6 Ų139.686%0.86177%0.772SS**  trans-147.5120.9134.9-1740000104.1
587R50.9Low53.3Low226 Ų226145.8 Ų145.885%0.85379%0.791SS**  cis7163.628.5-149.8-171.7-161.3-168.46.7115.2
588F42.9Very low51.5Low277 Ų277147.4 Ų147.4100%1.21581%0.809SS**  -138.50112-98.5-76.6000109.6

Retrieved 588 of 588 residues in 283.4 ms (Link to these results)