A0A087XTS9_POEFO Loading...

SLAIN motif family, member 1a

AlphaFold DB , UniProt , Accession A0A087XTS9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 633 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.2Very low43.5Very low244 Ų244167.9 Ų167.9100%1.20286%0.857SS**  090.80-158.3172.1-82.200105.2
2E42.6Very low44Very low190 Ų190160.8 Ų160.889%0.88884%0.842SS**  trans-77137.6-176.8-63.9176155.300108.8
3A42.6Very low44.4Very low92 Ų92159.2 Ų159.276%0.7684%0.835SS**  trans-141.884.7163.300000107.4V5A3-V5 PolarHBondContact O-N 2.99Å
4E47.3Very low45.2Very low179 Ų179156.2 Ų156.284%0.83683%0.826SS**  trans-59.5115.9160.8-69.7-178.114100108.8
5V46.3Very low45.6Very low138 Ų138150.9 Ų150.984%0.83681%0.807SS**  trans-92.5102165.4176.40000107.6A3 N7A3-V5 PolarHBondContact O-N 2.99Å; V5-N7 PolarHBondContact O-N 3.07Å
6L43.3Very low46.2Very low153 Ų153143.4 Ų143.480%0.80178%0.776SS**  trans-33.4124.8160.9-110.572.5000112.2
7N36.4Very low46.8Very low153 Ų153142 Ų14282%0.81877%0.768SS**  trans-103.1118.1161.9-157.9-11.5000107.8V5 Q9V5-N7 PolarHBondContact O-N 3.07Å; N7-Q9 PolarHBondContact O-N 3.05Å
8P44.3Very low47.6Very low107 Ų107140.4 Ų140.470%0.69576%0.759SS**  trans-75.7113.9-179.528.1-29.8000110.4R10P8-R10 PolarHBondContact O-N 2.81Å
9Q42.3Very low48.7Very low173 Ų173141 Ų14181%0.80875%0.754SS**  trans-44.2104.8165.5-172.684.3-15.100110.9N7 M11N7-Q9 PolarHBondContact O-N 3.05Å; Q9-M11 HydrophobicContact CG-CG 4.39Å; Q9-M11 PolarHBondContact O-N 2.9Å; Q9-M11 VanDerWaalsContact O-N 3.1Å
10R46.1Very low49.7Very low241 Ų241138.9 Ų138.991%0.90974%0.742SS**  trans-73.396.3165.7-79.4-161.5-70173.9-4108.9P8 A12P8-R10 PolarHBondContact O-N 2.81Å; R10-A12 PolarHBondContact O-N 3.23Å; R10-A12 VanDerWaalsContact O-N 3.09Å
11M47.5Very low50.8Low177 Ų177134.8 Ų134.887%0.87273%0.727SS**  trans-6898161.1-71-126.9-90.900108.4Q9Q9-M11 HydrophobicContact CG-CG 4.39Å; Q9-M11 PolarHBondContact O-N 2.9Å; Q9-M11 VanDerWaalsContact O-N 3.1Å
12A49.1Very low52.8Low82 Ų82128 Ų12868%0.67870%0.696SS**  trans-83.1129.316800000109.1R10 V14R10-A12 PolarHBondContact O-N 3.23Å; R10-A12 VanDerWaalsContact O-N 3.09Å; A12-V14 PolarHBondContact O-N 3.14Å
13D48.8Very low54.9Low140 Ų140121.2 Ų121.275%0.74967%0.672SS**  trans-49.5101.6176.5-78-50.4000112.9S15D13-S15 PolarHBondContact O-N 3.01Å
14V55.5Low57.1Low118 Ų118122.6 Ų122.672%0.71566%0.663SS**Hα-helixtrans-69.8-7.7169.3172.30000111.7A12 N18A12-V14 PolarHBondContact O-N 3.14Å; V14-N18 PolarHBondContact O-ND2 2.67Å
15S51.2Low59.2Low76 Ų76118.3 Ų118.353%0.53165%0.645SS.*Hα-helixtrans-85.3-20.3-175.9-172.40000115.1D13D13-S15 PolarHBondContact O-N 3.01Å
16G55.3Low61.3Low31 Ų31117.1 Ų117.132%0.3263%0.63SS.*Hα-helixtrans-78.9-38-177.100000113.5N18 K19 I20G16-N18 VanDerWaalsContact C-N 3.32Å; G16-N18 PolarHBondContact O-N 2.98Å; G16-K19 PolarHBondContact O-N 3.15Å; G16-I20 VanDerWaalsContact O-CD1 3.29Å; G16-I20 WeakPolarHBondContact O-CD1 3.32Å; G16-I20 PolarHBondContact O-N 3.34Å
17N57.3Low63.8Low120 Ų120113.4 Ų113.464%0.64261%0.614SS**Hα-helixtrans-67.3-31.8-174-68.4-0.1000112.9K19 I20 A21N17-K19 VanDerWaalsContact C-N 3.3Å; N17-K19 PolarHBondContact O-N 2.85Å; N17-I20 PolarHBondContact O-N 3.34Å; N17-A21 VanDerWaalsContact O-CB 3.26Å; N17-A21 WeakPolarHBondContact O-CB 3.17Å; N17-A21 PolarHBondContact O-N 2.9Å
18N60.5Low66.6Low113 Ų113111 Ų11160%0.60460%0.601SS**Hα-helixtrans-67.3-31.6177-68.5-49.1000112.5V14 G16 N22V14-N18 PolarHBondContact O-ND2 2.67Å; G16-N18 VanDerWaalsContact C-N 3.32Å; G16-N18 PolarHBondContact O-N 2.98Å; N18-N22 WeakPolarHBondContact O-CB 3.41Å; N18-N22 PolarHBondContact O-N 2.98Å
19K67.9Low69.1Low152 Ų152112.5 Ų112.566%0.66160%0.596SS**Hα-helixtrans-77.4-39.7177.5-64.2-177.1-179.5-178.40111.6G16 N17 N22 A23G16-K19 PolarHBondContact O-N 3.15Å; N17-K19 VanDerWaalsContact C-N 3.3Å; N17-K19 PolarHBondContact O-N 2.85Å; K19-N22 PolarHBondContact O-N 2.83Å; K19-A23 WeakPolarHBondContact O-CB 3.25Å; K19-A23 PolarHBondContact O-N 3.39Å
20I70.3Confident71.7Confident99 Ų99108.8 Ų108.851%0.50858%0.581SS.*Hα-helixtrans-64.1-47.6173.6-85.378.2000110.4G16 N17 N22 A23 E24G16-I20 VanDerWaalsContact O-CD1 3.29Å; G16-I20 WeakPolarHBondContact O-CD1 3.32Å; G16-I20 PolarHBondContact O-N 3.34Å; N17-I20 PolarHBondContact O-N 3.34Å; I20-N22 VanDerWaalsContact C-N 3.29Å; I20-N22 PolarHBondContact O-N 3.34Å; I20-A23 PolarHBondContact O-N 2.69Å; I20-E24 WeakPolarHBondContact O-CG 3.24Å; I20-E24 PolarHBondContact O-N 2.79Å
21A72.6Confident74.2Confident53 Ų53102.8 Ų102.844%0.43856%0.564SS.*Hα-helixtrans-64.9-33.5178.600000112.6N17 L25N17-A21 VanDerWaalsContact O-CB 3.26Å; N17-A21 WeakPolarHBondContact O-CB 3.17Å; N17-A21 PolarHBondContact O-N 2.9Å; A21-L25 WeakPolarHBondContact O-CB 3.44Å; A21-L25 PolarHBondContact O-N 3.47Å
22N81.1Confident76.5Confident102 Ų10297.4 Ų97.455%0.54554%0.537SS..Hα-helixtrans-68.4-43.3173.7-173.3-80.9000111.8N18 K19 I20 L25 E26N18-N22 WeakPolarHBondContact O-CB 3.41Å; N18-N22 PolarHBondContact O-N 2.98Å; K19-N22 PolarHBondContact O-N 2.83Å; I20-N22 VanDerWaalsContact C-N 3.29Å; I20-N22 PolarHBondContact O-N 3.34Å; N22-L25 WeakPolarHBondContact O-CB 3.41Å; N22-L25 PolarHBondContact O-N 2.72Å; N22-E26 PolarHBondContact O-N 2.83Å
23A86.9Confident78.8Confident47 Ų4797.9 Ų97.939%0.38853%0.527SS..Hα-helixtrans-63.9-40.2175.500000112.1K19 I20 L25 E26 V27K19-A23 WeakPolarHBondContact O-CB 3.25Å; K19-A23 PolarHBondContact O-N 3.39Å; I20-A23 PolarHBondContact O-N 2.69Å; A23-L25 VanDerWaalsContact C-N 3.34Å; A23-L25 PolarHBondContact O-N 3.1Å; A23-E26 PolarHBondContact O-N 3.32Å; A23-V27 WeakPolarHBondContact O-CG2 3.39Å; A23-V27 PolarHBondContact O-N 3.22Å
24E88.1Confident81.2Confident120 Ų12094.8 Ų94.856%0.56151%0.513SS*.Hα-helixtrans-62.9-39.8174.1-73.6176.2-179.400111.9I20 E26 V27 L28I20-E24 WeakPolarHBondContact O-CG 3.24Å; I20-E24 PolarHBondContact O-N 2.79Å; E24-E26 VanDerWaalsContact C-N 3.34Å; E24-V27 PolarHBondContact O-N 3.37Å; E24-L28 WeakPolarHBondContact O-CG 3.21Å; E24-L28 PolarHBondContact O-N 3Å
25L91.6Very high83.2Confident89 Ų8995.3 Ų95.347%0.46650%0.502SS..Hα-helixtrans-66.2-36.8174.8-172.966.7000112.1A21 N22 A23 L28 K29A21-L25 WeakPolarHBondContact O-CB 3.44Å; A21-L25 PolarHBondContact O-N 3.47Å; N22-L25 WeakPolarHBondContact O-CB 3.41Å; N22-L25 PolarHBondContact O-N 2.72Å; A23-L25 VanDerWaalsContact C-N 3.34Å; A23-L25 PolarHBondContact O-N 3.1Å; L25-L28 PolarHBondContact O-N 3.37Å; L25-K29 VanDerWaalsContact O-CG 3.31Å; L25-K29 WeakPolarHBondContact O-CG 3.38Å; L25-K29 PolarHBondContact O-N 2.91Å
26E91.1Very high85.4Confident113 Ų11396.5 Ų96.553%0.52850%0.498SS..Hα-helixtrans-66.1-42.8174.4-170.8175.1-171.600111.5N22 A23 E24 L28 K29 L30N22-E26 PolarHBondContact O-N 2.83Å; A23-E26 PolarHBondContact O-N 3.32Å; E24-E26 VanDerWaalsContact C-N 3.34Å; E26-L28 VanDerWaalsContact C-N 3.34Å; E26-L28 PolarHBondContact O-N 3.36Å; E26-K29 WeakPolarHBondContact O-CB 3.33Å; E26-K29 PolarHBondContact O-N 3.02Å; E26-L30 HydrophobicContact CG-CD1 4.41Å; E26-L30 WeakPolarHBondContact O-CG 3.43Å; E26-L30 PolarHBondContact O-N 2.92Å
27V95.4Very high87.4Confident75 Ų7599.5 Ų99.546%0.45551%0.506SS..Hα-helixtrans-60.8-43.3174.4171.50000111.1A23 E24 K29 L30 Q31A23-V27 WeakPolarHBondContact O-CG2 3.39Å; A23-V27 PolarHBondContact O-N 3.22Å; E24-V27 PolarHBondContact O-N 3.37Å; V27-K29 VanDerWaalsContact C-N 3.34Å; V27-K29 PolarHBondContact O-N 3.03Å; V27-L30 PolarHBondContact O-N 3.15Å; V27-Q31 HydrophobicContact CG1-CG 4.41Å; V27-Q31 WeakPolarHBondContact O-CB 3.4Å; V27-Q31 VanDerWaalsContact O-CG 3.32Å; V27-Q31 WeakPolarHBondContact O-CG 3.38Å; V27-Q31 PolarHBondContact O-N 2.91Å
28L95.6Very high89.3Confident104 Ų10499.6 Ų99.655%0.54550%0.503SS..Hα-helixtrans-62.9-39.8175.2-73.6171.1000112.2E24 L25 E26 L30 Q31 E32E24-L28 WeakPolarHBondContact O-CG 3.21Å; E24-L28 PolarHBondContact O-N 3Å; L25-L28 PolarHBondContact O-N 3.37Å; E26-L28 VanDerWaalsContact C-N 3.34Å; E26-L28 PolarHBondContact O-N 3.36Å; L28-L30 VanDerWaalsContact C-N 3.35Å; L28-Q31 PolarHBondContact O-N 3.32Å; L28-E32 WeakPolarHBondContact O-CB 3.49Å; L28-E32 PolarHBondContact O-N 3.25Å
29K96.8Very high91Very high137 Ų137101.1 Ų101.160%0.59650%0.504SS*.Hα-helixtrans-63.1-41.5173.9-75.8173.1-179.8177.50111.7L25 E26 V27 E32 L33L25-K29 VanDerWaalsContact O-CG 3.31Å; L25-K29 WeakPolarHBondContact O-CG 3.38Å; L25-K29 PolarHBondContact O-N 2.91Å; E26-K29 WeakPolarHBondContact O-CB 3.33Å; E26-K29 PolarHBondContact O-N 3.02Å; V27-K29 VanDerWaalsContact C-N 3.34Å; V27-K29 PolarHBondContact O-N 3.03Å; K29-E32 PolarHBondContact O-N 2.97Å; K29-L33 WeakPolarHBondContact O-CB 3.5Å; K29-L33 PolarHBondContact O-N 3.1Å
30L97.8Very high92.4Very high95 Ų9597.7 Ų97.750%0.49749%0.49SS..Hα-helixtrans-67.1-42.4177.3-71.6173.1000111.6E26 V27 L28 E32 L33 V34E26-L30 HydrophobicContact CG-CD1 4.41Å; E26-L30 WeakPolarHBondContact O-CG 3.43Å; E26-L30 PolarHBondContact O-N 2.92Å; V27-L30 PolarHBondContact O-N 3.15Å; L28-L30 VanDerWaalsContact C-N 3.35Å; L30-E32 VanDerWaalsContact C-N 3.34Å; L30-E32 PolarHBondContact O-N 2.97Å; L30-L33 WeakPolarHBondContact O-CB 3.34Å; L30-L33 PolarHBondContact O-N 2.97Å; L30-V34 WeakPolarHBondContact O-CG2 3.38Å; L30-V34 PolarHBondContact O-N 3.37Å
31Q97.3Very high93.6Very high115 Ų11596.5 Ų96.554%0.53749%0.485SS..Hα-helixtrans-60.5-44174.6-74.2175.4-5.500111.6V27 L28 L33 V34 R35V27-Q31 HydrophobicContact CG1-CG 4.41Å; V27-Q31 WeakPolarHBondContact O-CB 3.4Å; V27-Q31 VanDerWaalsContact O-CG 3.32Å; V27-Q31 WeakPolarHBondContact O-CG 3.38Å; V27-Q31 PolarHBondContact O-N 2.91Å; L28-Q31 PolarHBondContact O-N 3.32Å; Q31-L33 VanDerWaalsContact C-N 3.32Å; Q31-L33 PolarHBondContact O-N 3.48Å; Q31-V34 PolarHBondContact O-N 3.44Å; Q31-R35 WeakPolarHBondContact O-CB 3.4Å; Q31-R35 PolarHBondContact O-N 3.23Å
32E96.9Very high94.7Very high65 Ų6599.1 Ų99.130%0.30449%0.488SS..Hα-helixtrans-66.1-34.7176.2177.856.8-162.400112.3L28 K29 L30 R35 K36L28-E32 WeakPolarHBondContact O-CB 3.49Å; L28-E32 PolarHBondContact O-N 3.25Å; K29-E32 PolarHBondContact O-N 2.97Å; L30-E32 VanDerWaalsContact C-N 3.34Å; L30-E32 PolarHBondContact O-N 2.97Å; E32-R35 IonicContact OE1-CZ 3.41Å; E32-R35 IonicContact OE1-NE 2.77Å; E32-R35 IonicContact OE1-NH2 3.22Å; E32-R35 PolarHBondContact OE1-NH2 2.94Å; E32-R35 IonicContact OE2-CZ 3.42Å; E32-R35 IonicContact OE2-NE 2.71Å; E32-R35 PolarHBondContact OE2-NE 3.06Å; E32-R35 IonicContact OE2-NH2 3.6Å; E32-R35 PolarHBondContact OE2-NH2 2.93Å; E32-K36 HydrophobicContact CG-CD 4.39Å; E32-K36 WeakPolarHBondContact O-CB 3.4Å; E32-K36 VanDerWaalsContact O-CG 3.32Å; E32-K36 WeakPolarHBondContact O-CG 3.44Å; E32-K36 PolarHBondContact O-N 3.37Å; E32-K36 WeakPolarHBondContact OE1-CE 3.36Å; E32-K36 IonicContact OE1-NZ 2.88Å; E32-K36 PolarHBondContact OE1-NZ 3.37Å
33L97.9Very high95.3Very high92 Ų92100.7 Ų100.748%0.48249%0.492SS..Hα-helixtrans-66.2-46.1173.9-179.564.3000111.4K29 L30 Q31 K36 L37K29-L33 WeakPolarHBondContact O-CB 3.5Å; K29-L33 PolarHBondContact O-N 3.1Å; L30-L33 WeakPolarHBondContact O-CB 3.34Å; L30-L33 PolarHBondContact O-N 2.97Å; Q31-L33 VanDerWaalsContact C-N 3.32Å; Q31-L33 PolarHBondContact O-N 3.48Å; L33-K36 WeakPolarHBondContact O-CB 3.49Å; L33-K36 PolarHBondContact O-N 3.08Å; L33-L37 HydrophobicContact CD1-CD1 4.45Å; L33-L37 HydrophobicContact CD1-CG 4.46Å; L33-L37 HydrophobicContact CG-CD1 4.13Å; L33-L37 WeakPolarHBondContact O-CB 3.49Å; L33-L37 WeakPolarHBondContact O-CG 3.5Å; L33-L37 PolarHBondContact O-N 2.94Å
34V97.9Very high95.7Very high75 Ų75103.9 Ų103.946%0.45550%0.502SS..Hα-helixtrans-59.2-48.5176.1170.50000110L30 Q31 K36 L37 E38L30-V34 WeakPolarHBondContact O-CG2 3.38Å; L30-V34 PolarHBondContact O-N 3.37Å; Q31-V34 PolarHBondContact O-N 3.44Å; V34-K36 VanDerWaalsContact C-N 3.28Å; V34-K36 PolarHBondContact O-N 3.44Å; V34-L37 PolarHBondContact O-N 2.88Å; V34-L37 VanDerWaalsContact O-N 3.09Å; V34-E38 HydrophobicContact CG1-CG 4.27Å; V34-E38 WeakPolarHBondContact O-CB 3.4Å; V34-E38 WeakPolarHBondContact O-CG 3.44Å; V34-E38 PolarHBondContact O-N 2.92Å
35R97.9Very high95.8Very high128 Ų128104.5 Ų104.548%0.48350%0.499SS..Hα-helixtrans-57.3-40.2176.3-168.8-168.871.885.5-1112.5Q31 E32 K39Q31-R35 WeakPolarHBondContact O-CB 3.4Å; Q31-R35 PolarHBondContact O-N 3.23Å; E32-R35 IonicContact OE1-CZ 3.41Å; E32-R35 IonicContact OE1-NE 2.77Å; E32-R35 IonicContact OE1-NH2 3.22Å; E32-R35 PolarHBondContact OE1-NH2 2.94Å; E32-R35 IonicContact OE2-CZ 3.42Å; E32-R35 IonicContact OE2-NE 2.71Å; E32-R35 PolarHBondContact OE2-NE 3.06Å; E32-R35 IonicContact OE2-NH2 3.6Å; E32-R35 PolarHBondContact OE2-NH2 2.93Å; R35-K39 WeakPolarHBondContact O-CB 3.07Å; R35-K39 PolarHBondContact O-N 3.24Å; R35-K39 VanDerWaalsContact O-N 3.08Å
36K97.7Very high95.7Very high101 Ų101103.3 Ų103.344%0.43950%0.499SS..Hα-helixtrans-67-43.5175.4-80.7170.8173.2155.60111.9E32 L33 V34 K39 Q40E32-K36 HydrophobicContact CG-CD 4.39Å; E32-K36 WeakPolarHBondContact O-CB 3.4Å; E32-K36 VanDerWaalsContact O-CG 3.32Å; E32-K36 WeakPolarHBondContact O-CG 3.44Å; E32-K36 PolarHBondContact O-N 3.37Å; E32-K36 WeakPolarHBondContact OE1-CE 3.36Å; E32-K36 IonicContact OE1-NZ 2.88Å; E32-K36 PolarHBondContact OE1-NZ 3.37Å; L33-K36 WeakPolarHBondContact O-CB 3.49Å; L33-K36 PolarHBondContact O-N 3.08Å; V34-K36 VanDerWaalsContact C-N 3.28Å; V34-K36 PolarHBondContact O-N 3.44Å; K36-K39 PolarHBondContact O-N 3.44Å; K36-Q40 WeakPolarHBondContact O-CG 3.46Å; K36-Q40 PolarHBondContact O-N 2.95Å
37L97.8Very high95.5Very high94 Ų94105.8 Ų105.849%0.49250%0.503SS..Hα-helixtrans-64.7-43.5177.7-77.5171.1000111.3L33 V34 K39 Q40 N41L33-L37 HydrophobicContact CD1-CD1 4.45Å; L33-L37 HydrophobicContact CD1-CG 4.46Å; L33-L37 HydrophobicContact CG-CD1 4.13Å; L33-L37 WeakPolarHBondContact O-CB 3.49Å; L33-L37 WeakPolarHBondContact O-CG 3.5Å; L33-L37 PolarHBondContact O-N 2.94Å; V34-L37 PolarHBondContact O-N 2.88Å; V34-L37 VanDerWaalsContact O-N 3.09Å; L37-K39 VanDerWaalsContact C-N 3.34Å; L37-K39 PolarHBondContact O-N 2.88Å; L37-Q40 PolarHBondContact O-N 3.42Å; L37-N41 VanDerWaalsContact O-CB 3.28Å; L37-N41 WeakPolarHBondContact O-CB 3.35Å; L37-N41 PolarHBondContact O-N 3.33Å
38E96.8Very high94.8Very high122 Ų122104.7 Ų104.757%0.5750%0.502SS*.Hα-helixtrans-58.2-46.5174.2-73.7174.216400111V34 Q40 N41 E42V34-E38 HydrophobicContact CG1-CG 4.27Å; V34-E38 WeakPolarHBondContact O-CB 3.4Å; V34-E38 WeakPolarHBondContact O-CG 3.44Å; V34-E38 PolarHBondContact O-N 2.92Å; E38-Q40 VanDerWaalsContact C-N 3.35Å; E38-Q40 PolarHBondContact O-N 2.93Å; E38-N41 PolarHBondContact O-N 3.28Å; E38-E42 WeakPolarHBondContact O-CB 3.47Å; E38-E42 PolarHBondContact O-N 3.44Å
39K96.6Very high93.7Very high145 Ų145104.3 Ų104.363%0.6350%0.5SS*.Hα-helixtrans-62.3-40.2176.1-173.1174.3-178.9176.10112.5R35 K36 L37 Q43R35-K39 WeakPolarHBondContact O-CB 3.07Å; R35-K39 PolarHBondContact O-N 3.24Å; R35-K39 VanDerWaalsContact O-N 3.08Å; K36-K39 PolarHBondContact O-N 3.44Å; L37-K39 VanDerWaalsContact C-N 3.34Å; L37-K39 PolarHBondContact O-N 2.88Å; K39-Q43 WeakPolarHBondContact O-CB 3.32Å; K39-Q43 PolarHBondContact O-N 3.37Å
40Q97Very high92.4Very high81 Ų81100.3 Ų100.338%0.37949%0.493SS..Hα-helixtrans-66.7-41175.5-74.8-178.2-63.800111.6K36 L37 E38 Q43 L44K36-Q40 WeakPolarHBondContact O-CG 3.46Å; K36-Q40 PolarHBondContact O-N 2.95Å; L37-Q40 PolarHBondContact O-N 3.42Å; E38-Q40 VanDerWaalsContact C-N 3.35Å; E38-Q40 PolarHBondContact O-N 2.93Å; Q40-Q43 WeakPolarHBondContact O-CB 3.44Å; Q40-Q43 PolarHBondContact O-N 2.89Å; Q40-L44 WeakPolarHBondContact O-CG 3.4Å; Q40-L44 PolarHBondContact O-N 3.23Å
41N95.7Very high90.6Very high74 Ų74100.4 Ų100.440%0.39650%0.497SS..Hα-helixtrans-68.5-38.2179.5-149.2-14.8000110.9L37 E38 Q43 L44 R45L37-N41 VanDerWaalsContact O-CB 3.28Å; L37-N41 WeakPolarHBondContact O-CB 3.35Å; L37-N41 PolarHBondContact O-N 3.33Å; E38-N41 PolarHBondContact O-N 3.28Å; N41-Q43 VanDerWaalsContact C-N 3.34Å; N41-L44 PolarHBondContact O-N 2.87Å; N41-R45 WeakPolarHBondContact O-CG 3.24Å; N41-R45 PolarHBondContact O-N 2.85Å
42E95.5Very high88.7Confident107 Ų107100.6 Ų100.650%0.550%0.502SS..Hα-helixtrans-63.3-40.7172.1-167.254.9-134.800111.8E38 L44 R45 S46E38-E42 WeakPolarHBondContact O-CB 3.47Å; E38-E42 PolarHBondContact O-N 3.44Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.32Å; E42-R45 PolarHBondContact O-N 2.86Å; E42-S46 VanDerWaalsContact O-CB 3.31Å; E42-S46 WeakPolarHBondContact O-CB 3.48Å; E42-S46 PolarHBondContact O-N 3.27Å; E42-S46 PolarHBondContact O-OG 3.22Å
43Q93.8Very high86.8Confident136 Ų136103.7 Ų103.764%0.63652%0.52SS*.Hα-helixtrans-64.1-39174-1741775.800111.9K39 Q40 N41 R47K39-Q43 WeakPolarHBondContact O-CB 3.32Å; K39-Q43 PolarHBondContact O-N 3.37Å; Q40-Q43 WeakPolarHBondContact O-CB 3.44Å; Q40-Q43 PolarHBondContact O-N 2.89Å; N41-Q43 VanDerWaalsContact C-N 3.34Å; Q43-R47 VanDerWaalsContact O-CB 3.3Å; Q43-R47 WeakPolarHBondContact O-CB 3.3Å; Q43-R47 PolarHBondContact O-N 3.36Å
44L94.1Very high84.5Confident113 Ų113104.8 Ų104.859%0.59254%0.535SS*.Hα-helixtrans-66.7-42.5175.3-72.5171.4000111.7Q40 N41 E42 R47 A48Q40-L44 WeakPolarHBondContact O-CG 3.4Å; Q40-L44 PolarHBondContact O-N 3.23Å; N41-L44 PolarHBondContact O-N 2.87Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.32Å; L44-R47 PolarHBondContact O-N 2.85Å; L44-A48 VanDerWaalsContact O-CB 3.31Å; L44-A48 WeakPolarHBondContact O-CB 3.38Å; L44-A48 PolarHBondContact O-N 3.44Å
45R91.2Very high82.1Confident133 Ų133106.2 Ų106.250%0.50255%0.548SS..Hα-helixtrans-62.7-44.2174-72.5179.6-178.1120.42111.9N41 E42 R47 A48 N49N41-R45 WeakPolarHBondContact O-CG 3.24Å; N41-R45 PolarHBondContact O-N 2.85Å; E42-R45 PolarHBondContact O-N 2.86Å; R45-R47 VanDerWaalsContact C-N 3.34Å; R45-R47 PolarHBondContact O-N 2.71Å; R45-A48 PolarHBondContact O-N 3.15Å; R45-N49 WeakPolarHBondContact O-CB 3.44Å; R45-N49 PolarHBondContact O-N 3.23Å; R45-N49 PolarHBondContact O-ND2 2.79Å
46S90Very high79.9Confident65 Ų65107 Ų10746%0.45557%0.566SS.*Hα-helixtrans-61.8-41.5175.7-64.40000111.8E42 A50E42-S46 VanDerWaalsContact O-CB 3.31Å; E42-S46 WeakPolarHBondContact O-CB 3.48Å; E42-S46 PolarHBondContact O-N 3.27Å; E42-S46 PolarHBondContact O-OG 3.22Å; S46-A50 WeakPolarHBondContact O-CB 3.48Å; S46-A50 PolarHBondContact O-N 3.42Å
47R86.2Confident76.8Confident165 Ų165105.3 Ų105.362%0.62358%0.578SS**Hα-helixtrans-69.9-41.4177-174.5176.5176.3172.8-1.2112.3Q43 L44 R45 N49 A50 V51Q43-R47 VanDerWaalsContact O-CB 3.3Å; Q43-R47 WeakPolarHBondContact O-CB 3.3Å; Q43-R47 PolarHBondContact O-N 3.36Å; L44-R47 PolarHBondContact O-N 2.85Å; R45-R47 VanDerWaalsContact C-N 3.34Å; R45-R47 PolarHBondContact O-N 2.71Å; R47-N49 VanDerWaalsContact C-N 3.32Å; R47-A50 PolarHBondContact O-N 2.77Å; R47-V51 WeakPolarHBondContact O-CG2 3.41Å; R47-V51 PolarHBondContact O-N 3.33Å
48A79.8Confident74.3Confident51 Ų51107 Ų10742%0.42159%0.594SS.*Hα-helixtrans-63.4-40.1175.300000111.3L44 R45 V51 N52L44-A48 VanDerWaalsContact O-CB 3.31Å; L44-A48 WeakPolarHBondContact O-CB 3.38Å; L44-A48 PolarHBondContact O-N 3.44Å; R45-A48 PolarHBondContact O-N 3.15Å; A48-V51 PolarHBondContact O-N 2.96Å; A48-N52 PolarHBondContact O-N 3.23Å; A48-N52 PolarHBondContact O-ND2 3.02Å
49N73.9Confident71.7Confident96 Ų96107.8 Ų107.851%0.51360%0.598SS.*Hα-helixtrans-69-36173.6-74.7-20.3000112.3R45 R47 N52 N53R45-N49 WeakPolarHBondContact O-CB 3.44Å; R45-N49 PolarHBondContact O-N 3.23Å; R45-N49 PolarHBondContact O-ND2 2.79Å; R47-N49 VanDerWaalsContact C-N 3.32Å; N49-N52 PolarHBondContact O-N 2.99Å; N49-N53 PolarHBondContact O-N 3.45Å; N49-N53 PolarHBondContact O-ND2 3.05Å
50A67.8Low68.8Low53 Ų53109.2 Ų109.244%0.43861%0.611SS.*Hα-helixtrans-64.3-40.117400000112.1S46 R47 N52 N53 C54S46-A50 WeakPolarHBondContact O-CB 3.48Å; S46-A50 PolarHBondContact O-N 3.42Å; R47-A50 PolarHBondContact O-N 2.77Å; A50-N52 VanDerWaalsContact C-N 3.34Å; A50-N53 PolarHBondContact O-N 3.38Å; A50-C54 PolarHBondContact O-N 3.42Å; A50-C54 PolarHBondContact O-SG 3.26Å; A50-C54 VanDerWaalsContact O-SG 3.39Å
51V60.8Low66.2Low98 Ų98112 Ų11259%0.59463%0.625SS**Hα-helixtrans-65.9-36.6175.2172.20000111.6R47 A48R47-V51 WeakPolarHBondContact O-CG2 3.41Å; R47-V51 PolarHBondContact O-N 3.33Å; A48-V51 PolarHBondContact O-N 2.96Å
52N58.4Low63.1Low118 Ų118114.8 Ų114.863%0.63164%0.644SS**Hα-helixtrans-74.7-21.6177.2-74-21.2000114.1A48 N49 A50A48-N52 PolarHBondContact O-N 3.23Å; A48-N52 PolarHBondContact O-ND2 3.02Å; N49-N52 PolarHBondContact O-N 2.99Å; A50-N52 VanDerWaalsContact C-N 3.34Å
53N56.4Low60.2Low130 Ų130114.7 Ų114.770%0.69566%0.655SS**THydrogen-bonded Turntrans-90-3.2178.2-73.1-57.3000113.9N49 A50N49-N53 PolarHBondContact O-N 3.45Å; N49-N53 PolarHBondContact O-ND2 3.05Å; A50-N53 PolarHBondContact O-N 3.38Å
54C49.7Very low57.3Low116 Ų116115.6 Ų115.678%0.78466%0.664SS**THydrogen-bonded Turntrans-89.68.2175-69.20000114.4A50A50-C54 PolarHBondContact O-N 3.42Å; A50-C54 PolarHBondContact O-SG 3.26Å; A50-C54 VanDerWaalsContact O-SG 3.39Å
55S46.9Very low54.3Low104 Ų104115.4 Ų115.473%0.72767%0.672SS**SBendtrans-104.315.5-177.1-170.70000115.1
56V51.5Low51.4Low144 Ų144115.2 Ų115.287%0.87369%0.689SS**  trans-127.689.9177-172.10000110.6
57G33.7Very low48.6Very low67 Ų67119.9 Ų119.969%0.69171%0.708SS**SBendtrans-174.4139.6169.500000110.4
58P45.3Very low46.1Very low128 Ų128121.6 Ų121.683%0.83172%0.723SS**  trans-85136.8-136.932.5-35.1000115.6
59H41.4Very low43.6Very low139 Ų139122.6 Ų122.664%0.64474%0.738SS**  trans25.2103.6132.5-159.671.9000118.6Q61H59-Q61 WeakPolarHBondContact CE1-CG 3.42Å; H59-Q61 PolarHBondContact CE1-NE2 3.11Å; H59-Q61 WeakPolarHBondContact NE2-CG 3.49Å; H59-Q61 PolarHBondContact NE2-NE2 3.26Å
60L35.3Very low41.5Very low175 Ų175122.9 Ų122.992%0.91675%0.754SS**  trans-129119.7136.4-82.4173.9000108.6
61Q43.3Very low39.8Very low140 Ų140127.5 Ų127.565%0.65478%0.777SS**  trans-66.5135.1178.8-58.3-178.6600110.4H59H59-Q61 WeakPolarHBondContact CE1-CG 3.42Å; H59-Q61 PolarHBondContact CE1-NE2 3.11Å; H59-Q61 WeakPolarHBondContact NE2-CG 3.49Å; H59-Q61 PolarHBondContact NE2-NE2 3.26Å
62T31.1Very low38.5Very low132 Ų132127 Ų12781%0.8178%0.783SS**  trans-146.292.4143.1-43.90000108.2
63S34.6Very low37.2Very low105 Ų105126.9 Ų126.973%0.73479%0.79SS**  trans-76.1122.1164.1-69.30000108.7
64L32.5Very low35.8Very low156 Ų156128.2 Ų128.282%0.81780%0.796SS**  trans-136.299.9152.9-83.4177.9000109.7
65S31.5Very low34.9Very low109 Ų109127.2 Ų127.276%0.76279%0.791SS**  trans-62.3123.1166.7-49.70000109.8L67S65-L67 PolarHBondContact O-N 3.16Å
66C29.9Very low33.9Very low128 Ų128129 Ų12987%0.86579%0.792SS**  trans-82111.6171.2-71.60000110
67L31.5Very low32.9Very low163 Ų163125.8 Ų125.885%0.85378%0.776SS**  trans-58.7126.9167-101.473.1000110.5S65S65-L67 PolarHBondContact O-N 3.16Å
68H32.1Very low32.7Very low202 Ų202132.1 Ų132.194%0.93579%0.785SS**  trans-80.6125.8152-97.873.2000108.3
69G28.8Very low31.9Very low71 Ų71130.6 Ų130.673%0.73278%0.778SS**  trans-143.4120.5176.700000110.4
70A29.9Very low31.1Very low102 Ų102129 Ų12984%0.84378%0.78SS**  trans-48.2140.8-172.200000117
71T31.4Very low30.7Very low151 Ų151127.4 Ų127.493%0.92677%0.766SS**  trans-98.1109.7157.136.80000109.5
72A33.2Very low30Very low87 Ų87128.8 Ų128.872%0.71977%0.767SS**  trans-135.8119.4158.500000106.9
73C30.2Very low29.7Very low116 Ų116129.6 Ų129.678%0.78477%0.766SS**  trans173.9120.2136.2-91.50000112
74L28.6Very low29.5Very low157 Ų157128.9 Ų128.982%0.82277%0.766SS**  trans67.7121.7142-80.196.7000123
75S29.6Very low29.3Very low95 Ų95127.1 Ų127.166%0.66477%0.767SS**  trans-43.1154.5145.148.10000113
76D27Very low29.2Very low141 Ų141127 Ų12775%0.75477%0.766SS**  -173.6140.760.7-140.9-18.1000112.5
77S30.8Very low29.6Very low77 Ų77127.1 Ų127.154%0.53877%0.765SS.*  trans27.4148.1146.3-52.20000127.1
78F28.8Very low29.5Very low200 Ų200125 Ų12588%0.87776%0.759SS**  trans80.6144.3154.3-56.7-66000118
79S27.8Very low29.4Very low97 Ų97126 Ų12668%0.67876%0.755SS**  cis-177154.6-9.5177.10000106.7
80C24.7Very low30Very low104 Ų104126.9 Ų126.970%0.70375%0.748SS**  trans66.6149.9160.4-83.90000119.2
81K27.2Very low29.8Very low143 Ų143126.5 Ų126.562%0.62274%0.738SS**  cis172.7160.5-24-106.7-150.6-178-166.40104.5
82Y29Very low29.6Very low169 Ų169128.5 Ų128.566%0.66373%0.734SS**  trans78.4105.7164.4-45.4-65.8000114.6
83D25Very low29.4Very low149 Ų149130.2 Ų130.280%0.79774%0.741SS**  83114.683.8-76.3-36.5000112
84A29.4Very low29.3Very low89 Ų89129.2 Ų129.274%0.73674%0.741SS**  159114.1115.500000111.7
85S29.7Very low29.9Very low119 Ų119127.3 Ų127.383%0.83274%0.738SS**  trans71.2109.6131.7-51.20000120.4
86S29.1Very low29.9Very low107 Ų107134.8 Ų134.875%0.74875%0.752SS**  trans-59.6166.1143.5-44.10000111.1
87P37Very low29.9Very low130 Ų130132.3 Ų132.384%0.84475%0.751SS**  -145.417280.634.3-14000115.6
88T30Very low30.3Very low118 Ų118134.3 Ų134.372%0.72476%0.762SS**  trans-99.4135.1-171.4-52.10000111.7
89R29.4Very low30.4Very low223 Ų223129.1 Ų129.184%0.84276%0.756SS**  trans63.1176.9146.5-88.6-175.688.4168.44.5119.2
90P42.2Very low30.4Very low91 Ų91133.4 Ų133.459%0.59177%0.765SS**  cis-143.4-175.4-42.739-21.4000114.7
91C25.6Very low30.9Very low93 Ų93136.5 Ų136.563%0.62877%0.769SS**  trans100.2112.2141.7-71.50000121.6
92F27Very low31.4Very low193 Ų193134.3 Ų134.385%0.84677%0.77SS**  trans50.8114132.9-64.2-76.3000122.3
93S28.5Very low31.4Very low123 Ų123135.5 Ų135.586%0.8678%0.779SS**  -176.6127.8121.442.50000111.5
94A29.1Very low31.6Very low95 Ų95132.5 Ų132.579%0.78578%0.775SS**  trans-80.3-175.8166.900000110.5
95P40.4Very low31.6Very low118 Ų118136.4 Ų136.477%0.76677%0.772SS**  cis-133.7144-13.336-18.2000114
96R29.8Very low31.7Very low251 Ų251139.7 Ų139.795%0.94777%0.771SS**  trans-179.5119.5144.9-123.7172.2168.9150.6-4.1111.4
97A28.4Very low31.9Very low89 Ų89142.5 Ų142.574%0.73677%0.773SS**  trans-76.8161.4159.100000108.9
98P39.2Very low31.7Very low119 Ų119142.4 Ų142.477%0.77377%0.772SS**  -146.8172.161.737.4-17.1000117
99A29.4Very low31.6Very low91 Ų91142.4 Ų142.475%0.75278%0.777SS**  trans63.8119.115700000115.5
100E29.1Very low31.7Very low188 Ų188137.5 Ų137.588%0.87978%0.777SS**  -161.9137.758.3-78.6-160.6157.800110
101E33.3Very low31.2Very low168 Ų168138 Ų13879%0.78579%0.789SS**  trans-82147.6157.8-142-177.2164.500106.4
102P39.4Very low31.7Very low98 Ų98138.8 Ų138.864%0.63680%0.795SS**  -154.3153.890.437.1-17000117.5
103F27.7Very low32.4Very low193 Ų193135.8 Ų135.885%0.84680%0.795SS**  trans97.9103.5156.6-63.7-70.3000120
104A29.8Very low32.6Very low87 Ų87133.3 Ų133.372%0.71979%0.789SS**  trans-78.2151.5162.200000113.2
105Y29.1Very low32.9Very low171 Ų171133.6 Ų133.667%0.67179%0.792SS**  176.2126.6130-141.9-119000107.3
106F31.9Very low32.9Very low187 Ų187132.7 Ų132.782%0.8279%0.794SS**  -146.2127.158.6-92.7-97.8000111.2
107Q34.5Very low33.4Very low167 Ų167127.6 Ų127.678%0.7879%0.79SS**  trans-109.8141.3155.7-112.5-178.1-10.600108.1
108P31.6Very low33.9Very low128 Ų128131.9 Ų131.983%0.83180%0.795SS**  trans-66.9138.3175.3-16.630.4000112.2
109S29.2Very low33.6Very low118 Ų118133 Ų13383%0.82579%0.794SS**  trans-51137.6-176.7-57.40000116.1
110S31.3Very low33.9Very low119 Ų119133.3 Ų133.383%0.83279%0.792SS**  trans-121.8127.3149.263.50000109.8
111A30.1Very low34.1Very low102 Ų102128 Ų12884%0.84379%0.787SS**  trans-76.9152.8-178.300000113.4
112S36.2Very low34.3Very low110 Ų110124.8 Ų124.877%0.76979%0.789SS**  trans-48156.5171.5-163.50000114.4
113P41.7Very low34.2Very low129 Ų129125.3 Ų125.384%0.83880%0.802SS**  -145.5142.688.832.2-12.9000114.8
114G34Very low34.6Very low71 Ų71119.7 Ų119.773%0.73280%0.798SS**  trans-96.7134.2160.200000111.1
115A34.8Very low35Very low102 Ų102119.8 Ų119.884%0.84380%0.799SS**  trans-179.6126.6140.500000109.1
116A40.5Very low35.7Very low99 Ų99117.8 Ų117.882%0.81881%0.805SS**  trans-76.1131.4168.800000110.1
117V40.5Very low36.3Very low143 Ų143115.7 Ų115.787%0.86781%0.808SS**  trans-149.8144.7147.5177.20000107.9
118E38.3Very low37Very low179 Ų179113.9 Ų113.984%0.83681%0.807SS**  trans-66.4161.6-168.1-48.8-172.4128.600116.5
119D33.9Very low37.6Very low142 Ų142115.6 Ų115.676%0.75981%0.809SS**  trans73.8137.5136.6-157.740.6000121.8
120S36.1Very low38.7Very low99 Ų99117.7 Ų117.769%0.69281%0.811SS**  trans69116.5154.6-75.90000120.6
121G32.1Very low39.7Very low75 Ų75121.1 Ų121.177%0.77381%0.813SS**  108.7100.3125.100000118.5
122A36.9Very low41Very low101 Ų101122.2 Ų122.284%0.83581%0.81SS**  trans69.1122138.900000121.3
123A39.1Very low42.1Very low109 Ų109124 Ų12490%0.90181%0.811SS**  trans72.8118.4142.100000118.6
124G35.1Very low43Very low75 Ų75124.8 Ų124.877%0.77381%0.812SS**  trans165.859.3161.900000118.2
125A37.7Very low43.8Very low89 Ų89127.3 Ų127.374%0.73681%0.809SS**  trans71.2135.3141.400000120.9
126T43.5Very low45Very low129 Ų129126.1 Ų126.179%0.79179%0.788SS**  trans8370.5150.471.50000119.2
127T44.3Very low45.8Very low144 Ų144126.9 Ų126.988%0.88378%0.778SS**  trans-112.274.5145.656.60000108.6
128V50.4Low46.5Very low128 Ų128126.1 Ų126.178%0.77677%0.769SS**  trans-137.153.1174.3-177.90000108.1
129L44Very low47.5Very low165 Ų165122.8 Ų122.886%0.86476%0.761SS**  trans-156.341.8166.5-71.6-173.8000110.1
130D52Low48.4Very low161 Ų161120.5 Ų120.586%0.86175%0.752SS**  trans-122.838.9171.4-163.639.5000111.2
131E52.9Low49Very low191 Ų191121.2 Ų121.289%0.89375%0.747SS**  trans-136.378.6163.3-68.6-165.8-162.800107.3
132V57.1Low49.8Very low126 Ų126123.1 Ų123.176%0.76475%0.746SS**  trans-108.794.4163.6-165.70000106.2V134V132-V134 PolarHBondContact O-N 2.79Å
133D58.7Low50.6Low147 Ų147124.9 Ų124.979%0.78675%0.746SS**  trans-52.3124167.5-84.2-33.6000108.6L135D133-L135 PolarHBondContact O-N 3.32Å
134V61.3Low51Low145 Ų145122.7 Ų122.788%0.87974%0.735SS**  trans-61.9104.3175178.60000107.4V132 D136V132-V134 PolarHBondContact O-N 2.79Å; V134-D136 PolarHBondContact O-N 3.21Å
135L51.3Low51.6Low124 Ų124126.7 Ų126.765%0.64973%0.733SS**  trans-65.6108179.6-134.881000108.9D133 L137D133-L135 PolarHBondContact O-N 3.32Å; L135-L137 PolarHBondContact O-N 3.45Å
136D58.8Low52Low77 Ų77128 Ų12841%0.41273%0.734SS.*  trans-69.997.4173.5-179.814.7000109.6V134 N138 T139V134-D136 PolarHBondContact O-N 3.21Å; D136-N138 PolarHBondContact O-N 3.31Å; D136-N138 WeakPolarHBondContact OD1-CB 3.38Å; D136-N138 PolarHBondContact OD1-N 2.9Å; D136-N138 PolarHBondContact OD1-ND2 2.88Å; D136-T139 PolarHBondContact O-N 3.49Å; D136-T139 PolarHBondContact O-OG1 2.92Å
137L58.2Low52.2Low116 Ų116128.6 Ų128.661%0.60773%0.732SS**Hα-helixtrans-59.8-12.8179.5-68.4164.6000113.2L135 L141L135-L137 PolarHBondContact O-N 3.45Å; L137-L141 PolarHBondContact O-N 2.89Å
138N55Low52.6Low127 Ų127126 Ų12668%0.67972%0.72SS**Hα-helixtrans-80.6-16.5174-58.3-61.1000113.7D136D136-N138 PolarHBondContact O-N 3.31Å; D136-N138 WeakPolarHBondContact OD1-CB 3.38Å; D136-N138 PolarHBondContact OD1-N 2.9Å; D136-N138 PolarHBondContact OD1-ND2 2.88Å
139T58.4Low53Low108 Ų108131.4 Ų131.466%0.66373%0.727SS**Hα-helixtrans-93.2-25.1175.557.40000112.8D136D136-T139 PolarHBondContact O-N 3.49Å; D136-T139 PolarHBondContact O-OG1 2.92Å
140V54.7Low53.7Low94 Ų94130.8 Ų130.857%0.5772%0.724SS**Hα-helixtrans-91-22.2-178.7-176.60000112.4
141L48.3Very low54.2Low114 Ų114131.4 Ų131.460%0.59772%0.715SS**SBendtrans-116.3103.4172.1-78.9156.3000109.4L137 V143L137-L141 PolarHBondContact O-N 2.89Å; L141-V143 PolarHBondContact O-N 3.24Å; L141-V143 VanDerWaalsContact O-N 3.14Å
142P48.7Very low54.4Low115 Ų115127.3 Ų127.375%0.74770%0.703SS**  trans-56.9124.1158.4-8.122.1000105.8G144P142-G144 PolarHBondContact O-N 3.44Å
143V52.4Low54.2Low138 Ų138125.9 Ų125.984%0.83669%0.691SS**  trans-54.389.2176.9177.50000109.2L141L141-V143 PolarHBondContact O-N 3.24Å; L141-V143 VanDerWaalsContact O-N 3.14Å
144G48.2Very low54Low64 Ų64124.1 Ų124.166%0.6669%0.687SS**  trans-91.6128.2158.400000106.2P142P142-G144 PolarHBondContact O-N 3.44Å
145E47.3Very low52.9Low159 Ų159126.2 Ų126.274%0.74368%0.679SS**  trans-38.8137.8-174.7-79.7-157137.600114.4D147E145-D147 PolarHBondContact O-N 3.18Å
146P46.9Very low52.7Low117 Ų117123.7 Ų123.776%0.7668%0.677SS**THydrogen-bonded Turntrans-73.232.3179.832.3-36.3000114.6
147D47.9Very low52.3Low141 Ų141128.7 Ų128.775%0.75470%0.695SS**THydrogen-bonded Turntrans-138.518177.9-91.1-23.4000114.7E145 W149E145-D147 PolarHBondContact O-N 3.18Å; D147-W149 VanDerWaalsContact C-N 3.31Å; D147-W149 PolarHBondContact O-N 3.05Å; D147-W149 VanDerWaalsContact O-N 3.15Å
148S52.3Low51.7Low89 Ų89128.3 Ų128.362%0.62270%0.699SS**  trans-89.459.3173-172.20000112.7L150S148-L150 VanDerWaalsContact C-N 3.31Å
149W58.2Low51.2Low241 Ų241127.9 Ų127.991%0.91370%0.703SS**  trans-88.32.4172.5-72.364.7000113.2D147D147-W149 VanDerWaalsContact C-N 3.31Å; D147-W149 PolarHBondContact O-N 3.05Å; D147-W149 VanDerWaalsContact O-N 3.15Å
150L58.9Low50.7Low153 Ų153127.6 Ų127.680%0.80171%0.706SS**SBendtrans-91.1135178.7-98.7148000111.5S148 V152S148-L150 VanDerWaalsContact C-N 3.31Å; L150-V152 PolarHBondContact O-N 2.95Å
151Y61.8Low50.2Low174 Ų174131.7 Ų131.768%0.68272%0.718SS**  trans-44.7118.4-178.1176.6-100.2000113.3P154Y151-P154 WeakPolarHBondContact OH-CD 3.15Å
152V58Low50.5Low104 Ų104130.2 Ų130.263%0.6372%0.718SS**  trans-87.2124.2175.2-178.70000109.7L150 P154L150-V152 PolarHBondContact O-N 2.95Å; V152-P154 WeakPolarHBondContact O-CD 3.43Å
153N53.5Low50.9Low96 Ų96131.5 Ų131.551%0.51372%0.724SS.*  trans-66125.2179.6-172.1-37000111R155 A156N153-R155 PolarHBondContact O-N 3.21Å; N153-R155 WeakPolarHBondContact OD1-CB 3.49Å; N153-R155 PolarHBondContact OD1-N 3.25Å; N153-A156 PolarHBondContact O-N 2.94Å
154P53.2Low51.7Low110 Ų110128 Ų12871%0.71470%0.7SS**THydrogen-bonded Turntrans-63.2-4.6179.2-20.531.1000115.6Y151 V152Y151-P154 WeakPolarHBondContact OH-CD 3.15Å; V152-P154 WeakPolarHBondContact O-CD 3.43Å
155R38.8Very low53.3Low189 Ų189127.7 Ų127.771%0.71369%0.688SS**THydrogen-bonded Turntrans-107.16.1176.4-70.8-168.4170.3164.41.8114.3N153 K157N153-R155 PolarHBondContact O-N 3.21Å; N153-R155 WeakPolarHBondContact OD1-CB 3.49Å; N153-R155 PolarHBondContact OD1-N 3.25Å; R155-K157 PolarHBondContact O-N 3.18Å
156A47Very low55Low72 Ų72124.9 Ų124.960%0.59568%0.683SS**  trans-68.6100.5170.700000108.6N153N153-A156 PolarHBondContact O-N 2.94Å
157K49.8Very low57Low182 Ų182126 Ų12679%0.79168%0.682SS**  trans-54.3146.2162.3-68.7176.3179.7175.40107.7R155R155-K157 PolarHBondContact O-N 3.18Å
158P45.6Very low58.8Low107 Ų107127.7 Ų127.770%0.69568%0.678SS**  trans-51.8141.317524.6-34000108.5S160P158-S160 PolarHBondContact O-N 3.45Å
159P46.1Very low60.5Low119 Ų119130.7 Ų130.777%0.77368%0.676SS**  trans-68.382.3-178.428.7-32.9000108.8E161P159-E161 PolarHBondContact O-N 2.86Å
160S46.3Very low61.9Low101 Ų101121.9 Ų121.971%0.70665%0.65SS**  trans-76.9112.5162.555.10000106.7P158P158-S160 PolarHBondContact O-N 3.45Å
161E45.7Very low63.4Low180 Ų180122.5 Ų122.584%0.84164%0.642SS**SBendtrans90.484.8167.8-55.1-175.1177.200116.5P159P159-E161 PolarHBondContact O-N 2.86Å
162S54.1Low64.6Low84 Ų84118.9 Ų118.959%0.58763%0.631SS**  trans58.197152.664.10000116.6L164S162-L164 PolarHBondContact O-N 3.24Å
163T57Low65.9Low142 Ų142117 Ų11787%0.87162%0.62SS**  trans-62.477.1154.3-11.80000108.3S165T163-S165 PolarHBondContact O-N 3.46Å
164L68.1Low67.5Low63 Ų63118.9 Ų118.933%0.3363%0.629SS.*  trans-64.9129.3174.5-70.1170.1000107.4S162 R168S162-L164 PolarHBondContact O-N 3.24Å; L164-R168 HydrophobicContact CB-CB 4.39Å; L164-R168 HydrophobicContact CD2-CB 4.36Å
165S82.1Confident69.2Low58 Ų58118.4 Ų118.441%0.40662%0.62SS.*  trans-47.5138.31671700000109T163 L167 R168 W169T163-S165 PolarHBondContact O-N 3.46Å; S165-L167 PolarHBondContact O-N 3.2Å; S165-R168 WeakPolarHBondContact O-CA 3.31Å; S165-R168 WeakPolarHBondContact O-CB 3.34Å; S165-R168 PolarHBondContact O-N 3.27Å; S165-W169 PolarHBondContact O-N 2.91Å
166P83.4Confident71.4Confident100 Ų100116.1 Ų116.165%0.64962%0.618SS**Hα-helixtrans-49.7-35.4-178.3-30.335.1000113.6W169 C170P166-W169 PolarHBondContact O-N 2.92Å; P166-C170 PolarHBondContact O-N 3.24Å; P166-C170 PolarHBondContact O-SG 2.84Å
167L88.7Confident73.3Confident140 Ų140115 Ų11573%0.73361%0.605SS**Hα-helixtrans-65.9-38.1175.9-68.5174000113.2S165 R171S165-L167 PolarHBondContact O-N 3.2Å; L167-R171 WeakPolarHBondContact O-CB 3.44Å; L167-R171 PolarHBondContact O-N 3.48Å
168R85.3Confident75.1Confident178 Ų178107.9 Ų107.967%0.67258%0.583SS**Hα-helixtrans-71.2-37.5175.7-72.8-172.3175.5154.90111.4L164 S165 R171 Q172L164-R168 HydrophobicContact CB-CB 4.39Å; L164-R168 HydrophobicContact CD2-CB 4.36Å; S165-R168 WeakPolarHBondContact O-CA 3.31Å; S165-R168 WeakPolarHBondContact O-CB 3.34Å; S165-R168 PolarHBondContact O-N 3.27Å; R168-R171 PolarHBondContact O-N 3.38Å; R168-Q172 WeakPolarHBondContact O-CB 3.42Å; R168-Q172 PolarHBondContact O-N 3.1Å
169W88.6Confident77.3Confident151 Ų151108.2 Ų108.257%0.57259%0.585SS**Hα-helixtrans-61.5-48.9172.5179.887.8000111.3S165 P166 R171 Q172 V173S165-W169 PolarHBondContact O-N 2.91Å; P166-W169 PolarHBondContact O-N 2.92Å; W169-R171 VanDerWaalsContact C-N 3.28Å; W169-R171 PolarHBondContact O-N 2.83Å; W169-Q172 PolarHBondContact O-N 2.98Å; W169-Q172 VanDerWaalsContact O-N 3.15Å; W169-V173 HydrophobicContact CD2-CG2 3.97Å; W169-V173 HydrophobicContact CE3-CG2 4.4Å; W169-V173 HydrophobicContact CG-CG2 4.48Å; W169-V173 HydrophobicContact CH2-CG2 4.21Å; W169-V173 HydrophobicContact CZ2-CG2 3.76Å; W169-V173 WeakPolarHBondContact O-CG2 3.48Å; W169-V173 PolarHBondContact O-N 3.09Å
170C87.3Confident79.5Confident56 Ų56110.1 Ų110.138%0.37858%0.584SS.*Hα-helixtrans-57.2-44.2176.2-69.80000111.5P166 L174P166-C170 PolarHBondContact O-N 3.24Å; P166-C170 PolarHBondContact O-SG 2.84Å; C170-L174 WeakPolarHBondContact O-CB 3.48Å; C170-L174 WeakPolarHBondContact O-CG 3.45Å; C170-L174 PolarHBondContact O-N 3.35Å; C170-L174 VanDerWaalsContact O-N 3.1Å
171R91.8Very high81.7Confident167 Ų167109.3 Ų109.363%0.6357%0.574SS**Hα-helixtrans-63.4-44.6177.6-169.174.583-1594.2111.3L167 R168 W169 L174 D175L167-R171 WeakPolarHBondContact O-CB 3.44Å; L167-R171 PolarHBondContact O-N 3.48Å; R168-R171 PolarHBondContact O-N 3.38Å; W169-R171 VanDerWaalsContact C-N 3.28Å; W169-R171 PolarHBondContact O-N 2.83Å; R171-L174 PolarHBondContact O-N 2.97Å; R171-D175 VanDerWaalsContact CD-OD2 3.25Å; R171-D175 WeakPolarHBondContact CD-OD2 3.4Å; R171-D175 WeakPolarHBondContact CG-OD2 3.37Å; R171-D175 VanDerWaalsContact O-CB 3.24Å; R171-D175 WeakPolarHBondContact O-CB 3.41Å; R171-D175 VanDerWaalsContact O-CG 3.29Å; R171-D175 PolarHBondContact O-N 3.27Å
172Q86Confident83.9Confident98 Ų98105.9 Ų105.946%0.45856%0.558SS.*Hα-helixtrans-63.1-44179.1-175.5178.19.100112.5R168 W169 L174 H176R168-Q172 WeakPolarHBondContact O-CB 3.42Å; R168-Q172 PolarHBondContact O-N 3.1Å; W169-Q172 PolarHBondContact O-N 2.98Å; W169-Q172 VanDerWaalsContact O-N 3.15Å; Q172-L174 VanDerWaalsContact C-N 3.32Å; Q172-L174 PolarHBondContact O-N 3.22Å; Q172-H176 WeakPolarHBondContact O-CA 3.46Å; Q172-H176 WeakPolarHBondContact O-CB 3.35Å; Q172-H176 PolarHBondContact O-N 3.37Å
173V86.4Confident85.9Confident64 Ų64107.3 Ų107.339%0.38856%0.559SS.*Hα-helixtrans-66.6-35.1178.8172.70000111.8W169 P177W169-V173 HydrophobicContact CD2-CG2 3.97Å; W169-V173 HydrophobicContact CE3-CG2 4.4Å; W169-V173 HydrophobicContact CG-CG2 4.48Å; W169-V173 HydrophobicContact CH2-CG2 4.21Å; W169-V173 HydrophobicContact CZ2-CG2 3.76Å; W169-V173 WeakPolarHBondContact O-CG2 3.48Å; W169-V173 PolarHBondContact O-N 3.09Å; V173-P177 WeakPolarHBondContact O-CA 3.33Å
174L85.5Confident87.7Confident135 Ų135103.4 Ų103.471%0.70754%0.54SS*.Hα-helixtrans-80.2-38.9179.4-69173.9000113.2C170 R171 Q172C170-L174 WeakPolarHBondContact O-CB 3.48Å; C170-L174 WeakPolarHBondContact O-CG 3.45Å; C170-L174 PolarHBondContact O-N 3.35Å; C170-L174 VanDerWaalsContact O-N 3.1Å; R171-L174 PolarHBondContact O-N 2.97Å; Q172-L174 VanDerWaalsContact C-N 3.32Å; Q172-L174 PolarHBondContact O-N 3.22Å
175D89.1Confident89Confident100 Ų100107.3 Ų107.354%0.53556%0.555SS.*Hα-helixtrans-80.1-28.9-178.8-69.5-19.3000111.9R171R171-D175 VanDerWaalsContact CD-OD2 3.25Å; R171-D175 WeakPolarHBondContact CD-OD2 3.4Å; R171-D175 WeakPolarHBondContact CG-OD2 3.37Å; R171-D175 VanDerWaalsContact O-CB 3.24Å; R171-D175 WeakPolarHBondContact O-CB 3.41Å; R171-D175 VanDerWaalsContact O-CG 3.29Å; R171-D175 PolarHBondContact O-N 3.27Å
176H85.3Confident89.6Confident141 Ų141110.3 Ų110.365%0.65356%0.564SS**SBendtrans-126.574.6177.2-57-61.3000110Q172 G178Q172-H176 WeakPolarHBondContact O-CA 3.46Å; Q172-H176 WeakPolarHBondContact O-CB 3.35Å; Q172-H176 PolarHBondContact O-N 3.37Å; H176-G178 PolarHBondContact O-N 2.89Å
177P86.7Confident90.2Very high50 Ų50108.9 Ų108.933%0.32555%0.553SS.*  trans-59134.417826-34000110.1V173 V181 E182V173-P177 WeakPolarHBondContact O-CA 3.33Å; P177-V181 HydrophobicContact CB-CB 4.12Å; P177-V181 HydrophobicContact CB-CG1 3.98Å; P177-E182 HydrophobicContact CB-CG 4.26Å; P177-E182 HydrophobicContact CG-CG 4.07Å
178G89.2Confident90.6Very high32 Ų32106.8 Ų106.833%0.3354%0.543SS..  trans-63.8161.217700000112.3H176 E180 V181 E182H176-G178 PolarHBondContact O-N 2.89Å; G178-E180 PolarHBondContact O-N 2.88Å; G178-E180 VanDerWaalsContact O-N 3.1Å; G178-V181 PolarHBondContact O-N 3.46Å; G178-E182 PolarHBondContact O-N 2.98Å; G178-E182 VanDerWaalsContact O-N 3.08Å
179P90.8Very high91Very high114 Ų114100.9 Ų100.974%0.7453%0.528SS*.Hα-helixtrans-57.8-29.7-178.423.3-34.1000113L183P179-L183 WeakPolarHBondContact O-CB 3.3Å; P179-L183 PolarHBondContact O-N 2.97Å
180E91.6Very high91.3Very high159 Ų15998.5 Ų98.574%0.74352%0.523SS*.Hα-helixtrans-66-45.2174.2-174.7-175.3175.900112.4G178 E182 L183 A184G178-E180 PolarHBondContact O-N 2.88Å; G178-E180 VanDerWaalsContact O-N 3.1Å; E180-E182 VanDerWaalsContact C-N 3.32Å; E180-E182 PolarHBondContact O-N 3.46Å; E180-L183 PolarHBondContact O-N 3.36Å; E180-A184 WeakPolarHBondContact O-CB 3.29Å; E180-A184 PolarHBondContact O-N 3.46Å
181V92.5Very high91.7Very high84 Ų84103.7 Ų103.751%0.50954%0.535SS..Hα-helixtrans-66-39.3179.3178.60000110.2P177 G178 A184 K185P177-V181 HydrophobicContact CB-CB 4.12Å; P177-V181 HydrophobicContact CB-CG1 3.98Å; G178-V181 PolarHBondContact O-N 3.46Å; V181-A184 PolarHBondContact O-N 3.06Å; V181-K185 WeakPolarHBondContact O-CB 3.26Å; V181-K185 PolarHBondContact O-N 3.48Å
182E93.1Very high91.9Very high107 Ų107100 Ų10050%0.553%0.526SS..Hα-helixtrans-63.8-43.1173.8-66.1-168.6152.300112.1P177 G178 E180 K185 M186P177-E182 HydrophobicContact CB-CG 4.26Å; P177-E182 HydrophobicContact CG-CG 4.07Å; G178-E182 PolarHBondContact O-N 2.98Å; G178-E182 VanDerWaalsContact O-N 3.08Å; E180-E182 VanDerWaalsContact C-N 3.32Å; E180-E182 PolarHBondContact O-N 3.46Å; E182-K185 PolarHBondContact O-N 3.47Å; E182-M186 WeakPolarHBondContact O-CB 3.38Å; E182-M186 WeakPolarHBondContact O-CG 3.4Å; E182-M186 PolarHBondContact O-N 2.84Å
183L95.3Very high92.2Very high115 Ų11598.8 Ų98.860%0.60252%0.523SS*.Hα-helixtrans-64.2-41.9176.1-176.765.1000111.9P179 E180 M186 T187P179-L183 WeakPolarHBondContact O-CB 3.3Å; P179-L183 PolarHBondContact O-N 2.97Å; E180-L183 PolarHBondContact O-N 3.36Å; L183-M186 PolarHBondContact O-N 2.86Å; L183-T187 WeakPolarHBondContact O-CB 3.49Å; L183-T187 PolarHBondContact O-N 3.19Å; L183-T187 PolarHBondContact O-OG1 2.91Å
184A95.1Very high92.5Very high59 Ų5999.5 Ų99.549%0.48852%0.522SS..Hα-helixtrans-62.4-44.4176.400000111.2E180 V181 T187 L188E180-A184 WeakPolarHBondContact O-CB 3.29Å; E180-A184 PolarHBondContact O-N 3.46Å; V181-A184 PolarHBondContact O-N 3.06Å; A184-T187 PolarHBondContact O-N 3.22Å; A184-L188 WeakPolarHBondContact O-CB 3.32Å; A184-L188 PolarHBondContact O-N 2.92Å
185K94.8Very high92.5Very high145 Ų14595 Ų9563%0.6351%0.505SS*.Hα-helixtrans-59-48.3173.8178-173.9171.3-173.10111.3V181 E182 T187 L188 C189V181-K185 WeakPolarHBondContact O-CB 3.26Å; V181-K185 PolarHBondContact O-N 3.48Å; E182-K185 PolarHBondContact O-N 3.47Å; K185-T187 VanDerWaalsContact C-N 3.32Å; K185-T187 PolarHBondContact O-N 2.96Å; K185-L188 PolarHBondContact O-N 3.44Å; K185-C189 PolarHBondContact O-N 2.99Å; K185-C189 PolarHBondContact O-SG 2.79Å; K185-C189 VanDerWaalsContact O-SG 3.37Å
186M95.6Very high92.2Very high121 Ų12196.2 Ų96.260%0.59651%0.505SS*.Hα-helixtrans-60-43.2177.7-78.7-55.1-44.600112.2E182 L183 C189 H190E182-M186 WeakPolarHBondContact O-CB 3.38Å; E182-M186 WeakPolarHBondContact O-CG 3.4Å; E182-M186 PolarHBondContact O-N 2.84Å; L183-M186 PolarHBondContact O-N 2.86Å; M186-C189 PolarHBondContact O-N 3.46Å; M186-H190 WeakPolarHBondContact O-CB 3.41Å; M186-H190 PolarHBondContact O-N 3.21Å
187T96.6Very high92Very high70 Ų7097 Ų9743%0.42950%0.503SS..Hα-helixtrans-64.4-42.2177.9-57.90000111.2L183 A184 K185 H190 R191L183-T187 WeakPolarHBondContact O-CB 3.49Å; L183-T187 PolarHBondContact O-N 3.19Å; L183-T187 PolarHBondContact O-OG1 2.91Å; A184-T187 PolarHBondContact O-N 3.22Å; K185-T187 VanDerWaalsContact C-N 3.32Å; K185-T187 PolarHBondContact O-N 2.96Å; T187-H190 PolarHBondContact O-N 3.09Å; T187-R191 WeakPolarHBondContact O-CG 3.35Å; T187-R191 PolarHBondContact O-N 3.43Å
188L95.6Very high90.8Very high97 Ų97103.7 Ų103.751%0.50852%0.522SS..Hα-helixtrans-62.6-47175.5-18064.9000111.6A184 K185 H190 R191 L192A184-L188 WeakPolarHBondContact O-CB 3.32Å; A184-L188 PolarHBondContact O-N 2.92Å; K185-L188 PolarHBondContact O-N 3.44Å; L188-H190 VanDerWaalsContact C-N 3.3Å; L188-H190 PolarHBondContact O-N 2.92Å; L188-R191 PolarHBondContact O-N 3.34Å; L188-L192 HydrophobicContact CD1-CG 4.46Å; L188-L192 HydrophobicContact CG-CD1 4.26Å; L188-L192 WeakPolarHBondContact O-CG 3.35Å; L188-L192 PolarHBondContact O-N 3.46Å
189C95Very high89.5Confident54 Ų54111.7 Ų111.737%0.36554%0.542SS..Hα-helixtrans-57.2-45.6175-72.10000111.1K185 M186 R191 L192 D193K185-C189 PolarHBondContact O-N 2.99Å; K185-C189 PolarHBondContact O-SG 2.79Å; K185-C189 VanDerWaalsContact O-SG 3.37Å; M186-C189 PolarHBondContact O-N 3.46Å; C189-R191 PolarHBondContact O-N 3.36Å; C189-L192 PolarHBondContact O-N 3.08Å; C189-D193 PolarHBondContact O-N 2.8Å
190H95.3Very high87.9Confident100 Ų100109.5 Ų109.546%0.46354%0.54SS..Hα-helixtrans-60-45.2177-174.178.4000112.2M186 T187 L188 L192 D193 Q194M186-H190 WeakPolarHBondContact O-CB 3.41Å; M186-H190 PolarHBondContact O-N 3.21Å; T187-H190 PolarHBondContact O-N 3.09Å; L188-H190 VanDerWaalsContact C-N 3.3Å; L188-H190 PolarHBondContact O-N 2.92Å; H190-L192 PolarHBondContact O-N 3.28Å; H190-D193 PolarHBondContact O-N 2.91Å; H190-Q194 PolarHBondContact CD2-NE2 2.81Å; H190-Q194 PolarHBondContact NE2-NE2 3.23Å; H190-Q194 WeakPolarHBondContact O-CG 3.48Å; H190-Q194 PolarHBondContact O-N 2.89Å
191R94.9Very high86.2Confident166 Ų166108.6 Ų108.663%0.62654%0.539SS*.Hα-helixtrans-63.6-39.6176.5-72.6-177.469-149-0.5112.4T187 L188 C189 Q194 A195T187-R191 WeakPolarHBondContact O-CG 3.35Å; T187-R191 PolarHBondContact O-N 3.43Å; L188-R191 PolarHBondContact O-N 3.34Å; C189-R191 PolarHBondContact O-N 3.36Å; R191-Q194 WeakPolarHBondContact O-CB 3.35Å; R191-Q194 PolarHBondContact O-N 3.35Å; R191-A195 WeakPolarHBondContact O-CB 3.28Å; R191-A195 PolarHBondContact O-N 3.47Å
192L95.4Very high84.2Confident88 Ų88109.6 Ų109.646%0.46155%0.55SS.*Hα-helixtrans-66.6-39.5175.8-73.7175.3000111.6L188 C189 H190 A195 K196L188-L192 HydrophobicContact CD1-CG 4.46Å; L188-L192 HydrophobicContact CG-CD1 4.26Å; L188-L192 WeakPolarHBondContact O-CG 3.35Å; L188-L192 PolarHBondContact O-N 3.46Å; C189-L192 PolarHBondContact O-N 3.08Å; H190-L192 PolarHBondContact O-N 3.28Å; L192-A195 CarbonylContact O-C 3.58Å; L192-A195 PolarHBondContact O-N 3Å; L192-K196 VanDerWaalsContact O-CG 3.3Å; L192-K196 WeakPolarHBondContact O-CG 3.41Å; L192-K196 PolarHBondContact O-N 2.85Å
193D92.9Very high82.1Confident73 Ų73109.9 Ų109.939%0.3956%0.564SS.*Hα-helixtrans-71.8-33.2177-71.3-19.1000112.3C189 H190 K196 R197C189-D193 PolarHBondContact O-N 2.8Å; H190-D193 PolarHBondContact O-N 2.91Å; D193-K196 IonicContact OD1-NZ 2.66Å; D193-K196 PolarHBondContact OD1-NZ 2.83Å; D193-R197 WeakPolarHBondContact O-CG 3.48Å; D193-R197 PolarHBondContact O-N 3.34Å; D193-R197 VanDerWaalsContact O-N 3.11Å
194Q91.4Very high79.9Confident79 Ų79110.7 Ų110.737%0.36957%0.573SS.*Hα-helixtrans-57.6-53.8164.1-71.4-172.13.700110.1H190 R191 K196 R197 W198H190-Q194 PolarHBondContact CD2-NE2 2.81Å; H190-Q194 PolarHBondContact NE2-NE2 3.23Å; H190-Q194 WeakPolarHBondContact O-CG 3.48Å; H190-Q194 PolarHBondContact O-N 2.89Å; R191-Q194 WeakPolarHBondContact O-CB 3.35Å; R191-Q194 PolarHBondContact O-N 3.35Å; Q194-K196 VanDerWaalsContact C-N 3.32Å; Q194-K196 PolarHBondContact O-N 3.43Å; Q194-R197 WeakPolarHBondContact O-CA 3.31Å; Q194-R197 WeakPolarHBondContact O-CB 3.36Å; Q194-R197 PolarHBondContact O-N 3.33Å; Q194-W198 VanDerWaalsContact C-CD1 3.46Å; Q194-W198 PolarHBondContact O-N 3.05Å
195A86.8Confident77.5Confident42 Ų42117.1 Ų117.135%0.34759%0.585SS.*Hα-helixtrans-60.2-36.4-179.100000113.6R191 L192 W198 R199R191-A195 WeakPolarHBondContact O-CB 3.28Å; R191-A195 PolarHBondContact O-N 3.47Å; L192-A195 CarbonylContact O-C 3.58Å; L192-A195 PolarHBondContact O-N 3Å; A195-W198 PolarHBondContact O-N 3.22Å; A195-R199 PolarHBondContact O-N 3.04Å
196K82.4Confident75.1Confident124 Ų124116.3 Ų116.354%0.53959%0.594SS.*Hα-helixtrans-63.4-40.1172.9-73.7173.8-164.6159.40111.6L192 D193 Q194 R199 G200L192-K196 VanDerWaalsContact O-CG 3.3Å; L192-K196 WeakPolarHBondContact O-CG 3.41Å; L192-K196 PolarHBondContact O-N 2.85Å; D193-K196 IonicContact OD1-NZ 2.66Å; D193-K196 PolarHBondContact OD1-NZ 2.83Å; Q194-K196 VanDerWaalsContact C-N 3.32Å; Q194-K196 PolarHBondContact O-N 3.43Å; K196-R199 PolarHBondContact O-N 3.39Å; K196-G200 PolarHBondContact O-N 3.48Å; K196-G200 VanDerWaalsContact O-N 3.16Å
197R81.3Confident72.4Confident158 Ų158118.8 Ų118.860%0.59660%0.598SS**Hα-helixtrans-65.8-37.5173.6-72.6-174.9-71.9-153.40.9112.1D193 Q194 R199 G200D193-R197 WeakPolarHBondContact O-CG 3.48Å; D193-R197 PolarHBondContact O-N 3.34Å; D193-R197 VanDerWaalsContact O-N 3.11Å; Q194-R197 WeakPolarHBondContact O-CA 3.31Å; Q194-R197 WeakPolarHBondContact O-CB 3.36Å; Q194-R197 PolarHBondContact O-N 3.33Å; R197-R199 VanDerWaalsContact C-N 3.32Å; R197-R199 PolarHBondContact O-N 2.75Å; R197-G200 PolarHBondContact O-N 3.1Å; R197-G200 VanDerWaalsContact O-N 3.13Å
198W61.3Low69.7Low190 Ų190120.2 Ų120.272%0.7261%0.611SS**Hα-helixtrans-64.9-33.4172.8-67.6105.9000112.7Q194 A195 G200Q194-W198 VanDerWaalsContact C-CD1 3.46Å; Q194-W198 PolarHBondContact O-N 3.05Å; A195-W198 PolarHBondContact O-N 3.22Å; W198-G200 VanDerWaalsContact C-N 3.32Å
199R61.5Low66.7Low201 Ų201121.8 Ų121.876%0.75863%0.628SS**Hα-helixtrans-73.6-16.9171.5-84.8-145.1-67.7-93.23.7114.8A195 K196 R197A195-R199 PolarHBondContact O-N 3.04Å; K196-R199 PolarHBondContact O-N 3.39Å; R197-R199 VanDerWaalsContact C-N 3.32Å; R197-R199 PolarHBondContact O-N 2.75Å
200G58.3Low64Low67 Ų67126.3 Ų126.369%0.69165%0.648SS**Hα-helixtrans-82-15.5174.500000114.4K196 R197 W198K196-G200 PolarHBondContact O-N 3.48Å; K196-G200 VanDerWaalsContact O-N 3.16Å; R197-G200 PolarHBondContact O-N 3.1Å; R197-G200 VanDerWaalsContact O-N 3.13Å; W198-G200 VanDerWaalsContact C-N 3.32Å
201L55.8Low61.6Low141 Ų141130.8 Ų130.874%0.73867%0.669SS**SBendtrans-106.4-3.5-177.3-68.5159.9000113.1S203L201-S203 PolarHBondContact O-N 3.15Å
202S50.3Low59.4Low105 Ų105125.9 Ų125.973%0.73467%0.67SS**  trans-101.856.5177.4-156.60000111.2
203S49.3Very low56.7Low112 Ų112130.2 Ų130.278%0.78369%0.692SS**  trans-136.948.9157.8-173.50000109.6L201L201-S203 PolarHBondContact O-N 3.15Å
204V48.1Very low53.9Low132 Ų132132.6 Ų132.680%0.872%0.715SS**  trans-120.485.2159.6-176.20000106.1
205R44.2Very low51.5Low194 Ų194134.9 Ų134.973%0.73273%0.734SS**  trans-70.7129.7165-153178.9-169.7-1752.7106.4Y207R205-Y207 VanDerWaalsContact C-N 3.29Å; R205-Y207 HydrophobicContact CG-CD2 4Å; R205-Y207 HydrophobicContact CG-CE2 4.16Å; R205-Y207 PolarHBondContact O-N 3.13Å
206P44.5Very low49.6Very low128 Ų128140.8 Ų140.883%0.83176%0.759SS**  trans-79.784.1176.132.2-29.9000107.9
207Y39.6Very low47.2Very low174 Ų174140.7 Ų140.768%0.68277%0.774SS**  trans-97.3116.1157.3-90.5-87.5000107.4R205 C209R205-Y207 VanDerWaalsContact C-N 3.29Å; R205-Y207 HydrophobicContact CG-CD2 4Å; R205-Y207 HydrophobicContact CG-CE2 4.16Å; R205-Y207 PolarHBondContact O-N 3.13Å; Y207-C209 PolarHBondContact O-N 2.98Å
208S39.2Very low44.9Very low99 Ų99139.2 Ų139.269%0.69279%0.787SS**  trans-41.6119.4160.7490000110I210S208-I210 PolarHBondContact O-N 3.28Å; S208-I210 VanDerWaalsContact O-N 3.09Å
209C32.4Very low43.8Very low130 Ų130135.7 Ų135.788%0.87879%0.789SS**  trans-68.1104.216440.40000107.4Y207Y207-C209 PolarHBondContact O-N 2.98Å
210I39.2Very low42.8Very low150 Ų150133 Ų13377%0.76979%0.794SS**  trans-75.4125.5154.7-63.3176.1000105.2S208S208-I210 PolarHBondContact O-N 3.28Å; S208-I210 VanDerWaalsContact O-N 3.09Å
211E45.4Very low42Very low193 Ų193137.2 Ų137.290%0.90280%0.8SS**SBendtrans-62.1128.7178.7-167.9149.9-173.600110.7
212G48.1Very low41.2Very low63 Ų63136 Ų13665%0.64980%0.8SS**SBendtrans114118174.700000113.7
213L38.8Very low40.2Very low179 Ų179140 Ų14094%0.93780%0.801SS**  trans9271.4173.9-46.8179.3000115.9
214S34Very low39.5Very low124 Ų124139 Ų13987%0.86780%0.8SS**  trans-93.8112.5151.8-760000109.7
215T41.8Very low39Very low126 Ų126140.6 Ų140.677%0.77380%0.795SS**  trans-139.9115.8155.446.40000109.8
216L46Very low38.7Very low166 Ų166137 Ų13787%0.86980%0.797SS**  trans78.595.3156.6-52.5170000118
217S31.7Very low37.9Very low122 Ų122135 Ų13585%0.85379%0.792SS**  178.3116.8122.539.80000111.1
218C33.6Very low37.5Very low128 Ų128131 Ų13187%0.86580%0.795SS**PPolyproline II helixtrans-94.4139.2172.2-56.90000109.8
219P38.8Very low37.2Very low116 Ų116134.3 Ų134.375%0.75380%0.804SS**PPolyproline II helixtrans-96.1128151.431.9-22.1000109.6
220V40.5Very low37.3Very low145 Ų145134.8 Ų134.888%0.87980%0.803SS**PPolyproline II helixtrans-64.4128.7172.3171.60000109.6
221L40.2Very low36.9Very low154 Ų154135.8 Ų135.881%0.80680%0.804SS**  trans-122.9150.3165.2-105.3138.9000109.7
222P39.4Very low36.4Very low115 Ų115132.1 Ų132.175%0.74780%0.795SS**  trans-82.3131-166.231.9-26.4000111.3A224P222-A224 PolarHBondContact O-N 3.46Å
223Y29.3Very low36.3Very low190 Ų190134.4 Ų134.475%0.74580%0.799SS**  trans-70.2117.1177.7-178.6-98.3000111.1K225Y223-K225 HydrophobicContact CD1-CB 4.44Å; Y223-K225 HydrophobicContact CE1-CB 3.74Å; Y223-K225 HydrophobicContact CE1-CD 4.18Å; Y223-K225 HydrophobicContact CE1-CG 3.87Å
224A34.6Very low35.8Very low92 Ų92130.1 Ų130.176%0.7679%0.789SS**  trans-106.8121160.300000108.5P222P222-A224 PolarHBondContact O-N 3.46Å
225K36.5Very low35.6Very low164 Ų164130 Ų13071%0.71379%0.788SS**  trans-77.9139.8-176.6-158.1171.6-171.5172.90110.9Y223Y223-K225 HydrophobicContact CD1-CB 4.44Å; Y223-K225 HydrophobicContact CE1-CB 3.74Å; Y223-K225 HydrophobicContact CE1-CD 4.18Å; Y223-K225 HydrophobicContact CE1-CG 3.87Å
226P37.9Very low35.1Very low118 Ų118130.4 Ų130.477%0.76679%0.79SS**  -140164.211439-25.2000109.5
227A29.3Very low35Very low87 Ų87127.9 Ų127.972%0.71978%0.784SS**  cis-161.6173.111.800000108.8
228A30.9Very low34.9Very low90 Ų90127.4 Ų127.474%0.74478%0.78SS**  trans73.1109.9146.800000121.8
229L33.3Very low34.7Very low168 Ų168125.7 Ų125.788%0.8877%0.77SS**  31.1120.5125.9-62.2169000119.2
230T34.5Very low34.4Very low141 Ų141126.5 Ų126.587%0.86577%0.773SS**  -178.1144.8108.3-580000109.7
231E31.1Very low34.2Very low171 Ų171127.8 Ų127.880%0.79977%0.769SS**  trans-47.1135.6-179.1-75.8-169.6108.500117.3
232T34.7Very low34.5Very low116 Ų116125.2 Ų125.271%0.71276%0.761SS**  81.5146.586.3-30.80000113.9
233P45.1Very low34.1Very low111 Ų111125.6 Ų125.672%0.72176%0.761SS**  -133.4169.5-52.242.4-28.3000115.5
234A28.4Very low34.2Very low89 Ų89122.6 Ų122.674%0.73676%0.762SS**  trans60.2119.5142.500000122.5
235S30Very low34.2Very low122 Ų122126.8 Ų126.885%0.85377%0.766SS**  177.7138103.5-730000112.5
236V31.1Very low34.3Very low134 Ų134124.6 Ų124.681%0.81277%0.769SS**  trans-72.1-176.4170.3-820000112.2
237P45.1Very low34Very low112 Ų112123.1 Ų123.173%0.72777%0.766SS**  cis-137-176.4-25.426.3-3.3000114.2
238S28.9Very low34.8Very low112 Ų112124.6 Ų124.678%0.78377%0.769SS**  trans71.2142.2147.6-139.20000116.8
239S29.8Very low35Very low93 Ų93131.7 Ų131.765%0.6578%0.776SS**  174.8140.752.6-162.80000109
240V31.1Very low35.2Very low133 Ų133130.1 Ų130.181%0.80678%0.776SS**  trans76120.4137.31760000120
241Q36.6Very low35.2Very low172 Ų172135.1 Ų135.180%0.80478%0.779SS**  trans-64.8-164.2158.7-67.8-149.3-20.900110.7
242P46.8Very low35.1Very low99 Ų99131.5 Ų131.564%0.64378%0.778SS**  cis-152.6-175.69.844.3-21.1000118.4
243V30.9Very low34.8Very low124 Ų124130.6 Ų130.675%0.75278%0.777SS**  trans72.9126.1140.2166.80000119
244V31.4Very low33.9Very low126 Ų126131 Ų13176%0.76478%0.78SS**  172.8118.2115.81660000108.4
245Q35.2Very low33.8Very low180 Ų180131.8 Ų131.884%0.84178%0.781SS**  trans-84.6156.6153.3-64.4-174100108.5
246P37.8Very low33.8Very low119 Ų119131.7 Ų131.777%0.77378%0.775SS**  -150.6157.791.231.4-9.9000116
247A33.2Very low33.9Very low86 Ų86132.3 Ų132.371%0.71177%0.774SS**  trans-78.1-170.8165.900000111.4
248P45.2Very low33.2Very low119 Ų119134.1 Ų134.177%0.77378%0.777SS**  cis-136.9176.9-9.135.1-12.9000116.4
249R35.2Very low33.6Very low239 Ų239139.8 Ų139.890%0.90278%0.782SS**  trans5.1149.9159.5-62.4179.6178.3158-1122.2
250P37.8Very low33.7Very low134 Ų134139.5 Ų139.587%0.8779%0.785SS**  -140.6168.810835.6-20000116.2
251R34.9Very low34.1Very low247 Ų247138.5 Ų138.593%0.93278%0.781SS**  trans-87.8162-173-52.8-177.5-168.4157.40.3114.2
252A27.3Very low33.9Very low94 Ų94136.4 Ų136.478%0.77778%0.78SS**  trans176.1152.3137.100000108.1
253S29.5Very low33.1Very low98 Ų98141 Ų14169%0.68579%0.79SS**  cis-179150.4-30.945.70000106.4
254C26Very low33.2Very low118 Ų118142.7 Ų142.780%0.79779%0.794SS**  trans55148.2156.341.60000121.2
255S27Very low33Very low106 Ų106141.7 Ų141.774%0.74179%0.793SS**  cis-176.5172.7-1259.30000109
256V29.9Very low32.7Very low121 Ų121141.1 Ų141.173%0.73380%0.796SS**  trans10098.1157.6171.50000118.1
257N31.5Very low32.3Very low146 Ų146140.9 Ų140.978%0.78180%0.797SS**  trans25.4123.4131.3-50.7-8.9000119.3
258D31.5Very low32.1Very low151 Ų151141.2 Ų141.281%0.80780%0.799SS**  -171.9128103.6-132.8-17.4000112.8
259R36.3Very low31.4Very low231 Ų231143.4 Ų143.487%0.87280%0.804SS**  trans32.8103.2142.8-151.9170.5-167.5109.4-0.1120.2
260A33.2Very low31.3Very low87 Ų87139.5 Ų139.572%0.71980%0.796SS**  trans-90.9138.315900000111T262A260-T262 PolarHBondContact O-N 2.97Å
261P38.5Very low30.9Very low112 Ų112141 Ų14173%0.72780%0.796SS**  trans-89103169.432.9-26.2000109.9F263P261-F263 HydrophobicContact CB-CD2 4.37Å; P261-F263 HydrophobicContact CB-CE2 4.22Å
262T33.3Very low30.8Very low128 Ų128135.1 Ų135.179%0.78579%0.787SS**  trans-76.2111.4155.828.20000108.8A260A260-T262 PolarHBondContact O-N 2.97Å
263F30.1Very low31Very low194 Ų194133.6 Ų133.685%0.85178%0.781SS**  trans-98.488.7158.1-78.5-80.2000108.5P261P261-F263 HydrophobicContact CB-CD2 4.37Å; P261-F263 HydrophobicContact CB-CE2 4.22Å
264L32.2Very low30.9Very low160 Ų160139.3 Ų139.384%0.83879%0.788SS**  trans-102.9119.9146.5-73.8174.4000106
265S27Very low31.3Very low105 Ų105144.8 Ų144.873%0.73479%0.792SS**  trans-149.3101.1158.3-71.30000108.4
266N29.8Very low31.7Very low169 Ų169146.7 Ų146.790%0.90479%0.789SS**  trans-48.3128.6139.7-93.2-15.5000108.3
267S29.3Very low31.7Very low113 Ų113145 Ų14579%0.7979%0.787SS**  trans-134.9106.3152-84.30000108.1
268A28.3Very low32Very low93 Ų93143 Ų14377%0.76979%0.791SS**  trans-57.6134.4159.700000109.3
269L31.5Very low32.2Very low165 Ų165143.3 Ų143.386%0.86479%0.791SS**  trans-101.3112.5162.7-104.3158.9000108.2
270H31.7Very low31.9Very low158 Ų158137.8 Ų137.873%0.73178%0.783SS**  trans-8.3117.2155.3-60.6-94000116.1
271N30Very low32Very low165 Ų165139.8 Ų139.888%0.88279%0.788SS**  trans-127.397.7139.9-151.6-18.6000107.5G273N271-G273 PolarHBondContact O-N 3.46Å
272V32.3Very low31.8Very low123 Ų123142.3 Ų142.375%0.74579%0.791SS**  trans-82113.8177.1170.90000107.7
273G31.8Very low32.3Very low63 Ų63141.4 Ų141.465%0.64979%0.79SS**  trans89.994.8136.100000117.7N271N271-G273 PolarHBondContact O-N 3.46Å
274R28.3Very low32.8Very low218 Ų218137.7 Ų137.782%0.82379%0.787SS**  -157.4118.3117.1-142168.4-171.1-91.6-3.1110.5H276R274-H276 PolarHBondContact NH1-CD2 3.22Å; R274-H276 VanDerWaalsContact NH1-CD2 3.33Å; R274-H276 PolarHBondContact NH1-NE2 3.45Å
275R34.9Very low33.4Very low233 Ų233138.3 Ų138.388%0.87979%0.791SS**  trans-85.8119.6174.5-36.4178.7-160.3164.23.9107.3
276H33.6Very low34.1Very low146 Ų146140.5 Ų140.568%0.67679%0.794SS**  trans-157.998146.7-70.9-67.4000104.7R274R274-H276 PolarHBondContact NH1-CD2 3.22Å; R274-H276 VanDerWaalsContact NH1-CD2 3.33Å; R274-H276 PolarHBondContact NH1-NE2 3.45Å
277A30.8Very low34.9Very low84 Ų84136.6 Ų136.669%0.69478%0.78SS**  62.2119.688.600000112.1I279A277-I279 PolarHBondContact O-N 3.34Å
278A37.8Very low35.6Very low105 Ų105138.6 Ų138.687%0.86878%0.782SS**  trans-48.4124.6173.500000111.2
279I36Very low36.6Very low158 Ų158142.1 Ų142.181%0.8179%0.786SS**  trans-122.1102.8171.151.2168.4000109.8A277A277-I279 PolarHBondContact O-N 3.34Å
280T30Very low37Very low115 Ų115137.7 Ų137.771%0.70678%0.781SS**  trans-47.1132.8152-54.80000110.1Q282T280-Q282 HydrophobicContact CG2-CG 4.26Å; T280-Q282 PolarHBondContact O-N 2.93Å; T280-Q282 VanDerWaalsContact O-N 3.15Å
281P35Very low37.4Very low128 Ų128135.8 Ų135.883%0.83178%0.78SS**  trans-82.497168.931.6-27000108.3
282Q35.2Very low37.9Very low166 Ų166133.4 Ų133.478%0.77678%0.776SS**  trans-91.4128.3157.1-78.9-87.2-77.100107.6T280T280-Q282 HydrophobicContact CG2-CG 4.26Å; T280-Q282 PolarHBondContact O-N 2.93Å; T280-Q282 VanDerWaalsContact O-N 3.15Å
283S42.3Very low38.4Very low109 Ų109135.7 Ų135.776%0.76278%0.779SS**  trans-50.8132.4171.452.10000113.6
284S40.8Very low39.5Very low115 Ų115139.7 Ų139.780%0.80478%0.784SS**  trans-162.6123.1143.5540000110.5
285L45.7Very low40.3Very low174 Ų174136.4 Ų136.491%0.91178%0.778SS**  trans-58.3143163.5-59.5156000109.4
286D40.3Very low41Very low150 Ų150132.8 Ų132.880%0.80277%0.771SS**  trans163.3130.5130.4-169.632000113
287S46.3Very low41.7Very low87 Ų87132.6 Ų132.661%0.60878%0.776SS**  trans70.389.2152.2-69.40000122.7
288D45.6Very low42.8Very low156 Ų156132.5 Ų132.583%0.83477%0.77SS**  43.1130.8112.8-58.8-35.7000123.6
289I48.2Very low43.5Very low166 Ų166133.9 Ų133.985%0.85176%0.761SS**  trans89.281.6156.2-137.372.6000118.9
290G40.7Very low44.2Very low73 Ų73130 Ų13075%0.75375%0.748SS**  trans-149.995.515600000108.9S292G290-S292 PolarHBondContact O-N 3.24Å
291V39.7Very low45.8Very low118 Ų118134 Ų13472%0.71576%0.761SS**  trans-58.7104.4173.21790000108.4
292S40.5Very low46.9Very low114 Ų114132.2 Ų132.280%0.79775%0.752SS**  trans-124.696.9146.1-78.80000105.9G290 L294G290-S292 PolarHBondContact O-N 3.24Å; S292-L294 PolarHBondContact O-N 2.86Å
293E43.1Very low48.4Very low172 Ų172130.6 Ų130.680%0.80474%0.739SS**  trans-50.887.8148.3-74.9173.5135.500107.6
294L55.5Low50.1Low147 Ų147133 Ų13377%0.7774%0.736SS**  trans-110.774.6135-170.974.8000104.4S292 E296S292-L294 PolarHBondContact O-N 2.86Å; L294-E296 PolarHBondContact O-N 2.88Å
295E43.9Very low52.3Low149 Ų149131.3 Ų131.370%0.69672%0.718SS**  trans-10.5103141.746-171172.500111.7D297E295-D297 PolarHBondContact O-N 3.45Å
296E50.5Low54.2Low156 Ų156129.1 Ų129.173%0.72970%0.703SS**  33.355.6114.1-152.582.1-148.600115L294 S298L294-E296 PolarHBondContact O-N 2.88Å; E296-S298 PolarHBondContact O-N 3.06Å; E296-S298 PolarHBondContact OE1-OG 3.47Å
297D48.7Very low56.7Low143 Ų143126.8 Ų126.877%0.76569%0.69SS**  trans-70.852.5149.1-88-21.1000108.2E295 I299E295-D297 PolarHBondContact O-N 3.45Å; D297-I299 PolarHBondContact O-N 3.42Å
298S52.8Low58.9Low82 Ų82129.1 Ų129.157%0.57369%0.693SS**  trans-6182.6145.4-81.70000104.4E296 S300E296-S298 PolarHBondContact O-N 3.06Å; E296-S298 PolarHBondContact OE1-OG 3.47Å; S298-S300 VanDerWaalsContact C-N 3.3Å; S298-S300 PolarHBondContact O-N 3.42Å
299I52.5Low61.3Low134 Ų134125.6 Ų125.669%0.68768%0.677SS**  trans-43.3103.9173.4-66.4160.8000104.6D297 M301D297-I299 PolarHBondContact O-N 3.42Å; I299-M301 PolarHBondContact O-N 3.28Å; I299-M301 VanDerWaalsContact O-N 3.17Å
300S50.5Low63.5Low77 Ų77119 Ų11954%0.53864%0.644SS.*  trans-50.2133.6-178.764.90000106.2S298 S302S298-S300 VanDerWaalsContact C-N 3.3Å; S298-S300 PolarHBondContact O-N 3.42Å; S300-S302 PolarHBondContact O-N 3.31Å; S300-S302 PolarHBondContact OG-OG 3.49Å
301M63.1Low66Low199 Ų199119.1 Ų119.198%0.9863%0.63SS**THydrogen-bonded Turntrans-68.134.6-179.4-149.571.56200111.6I299I299-M301 PolarHBondContact O-N 3.28Å; I299-M301 VanDerWaalsContact O-N 3.17Å
302S58.6Low68.7Low90 Ų90118.1 Ų118.163%0.62962%0.617SS**THydrogen-bonded Turntrans-100-0.2178.172.50000112.1S300 K304S300-S302 PolarHBondContact O-N 3.31Å; S300-S302 PolarHBondContact OG-OG 3.49Å; S302-K304 VanDerWaalsContact C-N 3.26Å; S302-K304 PolarHBondContact O-N 2.62Å
303Y66.9Low71.3Confident132 Ų132116 Ų11652%0.51860%0.599SS.*  trans-66.791.3166.7-173.6-106.8000109.3L305 D310Y303-L305 HydrophobicContact CD1-CD2 3.8Å; Y303-L305 HydrophobicContact CE1-CD2 3.63Å; Y303-L305 PolarHBondContact O-N 3.15Å; Y303-D310 HydrophobicContact CE1-CB 4.01Å; Y303-D310 PolarHBondContact OH-OD1 3.49Å; Y303-D310 PolarHBondContact OH-OD2 2.74Å
304K79.1Confident73.8Confident159 Ų159112 Ų11269%0.69158%0.582SS**  trans-75.2118.7175.3-168.2176.8-177.2-175.40106.9S302 Q306S302-K304 VanDerWaalsContact C-N 3.26Å; S302-K304 PolarHBondContact O-N 2.62Å; K304-Q306 VanDerWaalsContact C-N 3.27Å; K304-Q306 PolarHBondContact O-N 3.06Å
305L86.8Confident75.7Confident80 Ų80107.4 Ų107.442%0.41957%0.565SS.*  trans-61.994.8172.9-53.1177.6000107.4Y303 D310 V311 M314Y303-L305 HydrophobicContact CD1-CD2 3.8Å; Y303-L305 HydrophobicContact CE1-CD2 3.63Å; Y303-L305 PolarHBondContact O-N 3.15Å; L305-D310 HydrophobicContact CB-CB 4.11Å; L305-D310 HydrophobicContact CD2-CB 3.7Å; L305-V311 HydrophobicContact CB-CG2 3.92Å; L305-V311 HydrophobicContact CD1-CG2 4.03Å; L305-M314 HydrophobicContact CD2-CB 4.43Å; L305-M314 HydrophobicContact CD2-CG 3.62Å
306Q85.8Confident78.1Confident127 Ų127108.4 Ų108.459%0.59356%0.562SS**  trans-86.6-35.7-167-175.85360.800109.5K304 D310K304-Q306 VanDerWaalsContact C-N 3.27Å; K304-Q306 PolarHBondContact O-N 3.06Å; Q306-D310 PolarHBondContact N-OD2 3.3Å; Q306-D310 VanDerWaalsContact N-OD2 3.1Å
307D92.6Very high80.3Confident102 Ų102106 Ų10655%0.54555%0.554SS.*SBendtrans-122.9158.9179.9-64.3-28.4000111.6T309 D310 V311D307-T309 PolarHBondContact O-N 2.92Å; D307-T309 VanDerWaalsContact O-N 3.13Å; D307-D310 WeakPolarHBondContact O-CB 3.39Å; D307-D310 PolarHBondContact O-N 2.95Å; D307-V311 PolarHBondContact O-N 2.91Å
308M92.7Very high82.6Confident135 Ų135106.4 Ų106.467%0.66555%0.551SS**Hα-helixtrans-54.7-31.6177.4-177.6-170.672.100112.3D310 V311 E312M308-D310 VanDerWaalsContact C-N 3.33Å; M308-D310 PolarHBondContact O-N 3.34Å; M308-V311 WeakPolarHBondContact O-CB 3.21Å; M308-V311 PolarHBondContact O-N 3.31Å; M308-E312 WeakPolarHBondContact CE-OE1 3.25Å; M308-E312 WeakPolarHBondContact O-CG 3.31Å; M308-E312 PolarHBondContact O-N 3.21Å
309T94.6Very high84.6Confident82 Ų82107.4 Ų107.450%0.50355%0.547SS..Hα-helixtrans-59.9-41.2176.1-490000112.2D307 V311 E312 V313D307-T309 PolarHBondContact O-N 2.92Å; D307-T309 VanDerWaalsContact O-N 3.13Å; T309-V311 VanDerWaalsContact C-N 3.29Å; T309-V311 PolarHBondContact O-N 2.67Å; T309-E312 PolarHBondContact O-N 3.09Å; T309-V313 HydrophobicContact CG2-CG2 4.49Å; T309-V313 VanDerWaalsContact O-CG2 3.3Å; T309-V313 WeakPolarHBondContact O-CG2 3.17Å; T309-V313 PolarHBondContact O-N 3.23Å
310D94.8Very high86.5Confident29 Ų29105.6 Ų105.616%0.15554%0.536CS..Hα-helixtrans-66.3-38.6179.8-58.8-13.4000110.1Y303 L305 Q306 D307 M308 V313 M314Y303-D310 HydrophobicContact CE1-CB 4.01Å; Y303-D310 PolarHBondContact OH-OD1 3.49Å; Y303-D310 PolarHBondContact OH-OD2 2.74Å; L305-D310 HydrophobicContact CB-CB 4.11Å; L305-D310 HydrophobicContact CD2-CB 3.7Å; Q306-D310 PolarHBondContact N-OD2 3.3Å; Q306-D310 VanDerWaalsContact N-OD2 3.1Å; D307-D310 WeakPolarHBondContact O-CB 3.39Å; D307-D310 PolarHBondContact O-N 2.95Å; M308-D310 VanDerWaalsContact C-N 3.33Å; M308-D310 PolarHBondContact O-N 3.34Å; D310-V313 PolarHBondContact O-N 2.96Å; D310-M314 WeakPolarHBondContact O-CB 3.33Å; D310-M314 VanDerWaalsContact O-CG 3.29Å; D310-M314 WeakPolarHBondContact O-CG 3.36Å; D310-M314 PolarHBondContact O-N 3.39Å
311V94.2Very high88.7Confident75 Ų75104.9 Ų104.946%0.45553%0.53SS..Hα-helixtrans-62.7-44.3174.2-177.50000110.7L305 D307 M308 T309 M314 A315L305-V311 HydrophobicContact CB-CG2 3.92Å; L305-V311 HydrophobicContact CD1-CG2 4.03Å; D307-V311 PolarHBondContact O-N 2.91Å; M308-V311 WeakPolarHBondContact O-CB 3.21Å; M308-V311 PolarHBondContact O-N 3.31Å; T309-V311 VanDerWaalsContact C-N 3.29Å; T309-V311 PolarHBondContact O-N 2.67Å; V311-M314 PolarHBondContact O-N 2.97Å; V311-A315 WeakPolarHBondContact O-CB 3.34Å; V311-A315 PolarHBondContact O-N 2.87Å
312E95.3Very high90.2Very high96 Ų96100 Ų10045%0.44951%0.508SS..Hα-helixtrans-65.5-40.1177.8-72.1177.1-178.900112.6M308 T309 R316M308-E312 WeakPolarHBondContact CE-OE1 3.25Å; M308-E312 WeakPolarHBondContact O-CG 3.31Å; M308-E312 PolarHBondContact O-N 3.21Å; T309-E312 PolarHBondContact O-N 3.09Å; E312-R316 VanDerWaalsContact O-CB 3.27Å; E312-R316 WeakPolarHBondContact O-CB 3.4Å; E312-R316 PolarHBondContact O-N 2.82Å
313V95.6Very high91.9Very high69 Ų69102.6 Ų102.642%0.41850%0.504SS..Hα-helixtrans-65.3-48176.5170.20000110.1T309 D310 R316 L317T309-V313 HydrophobicContact CG2-CG2 4.49Å; T309-V313 VanDerWaalsContact O-CG2 3.3Å; T309-V313 WeakPolarHBondContact O-CG2 3.17Å; T309-V313 PolarHBondContact O-N 3.23Å; D310-V313 PolarHBondContact O-N 2.96Å; V313-R316 PolarHBondContact O-N 3.11Å; V313-L317 HydrophobicContact CG1-CD1 3.88Å; V313-L317 VanDerWaalsContact O-CD1 3.22Å; V313-L317 WeakPolarHBondContact O-CD1 3.32Å; V313-L317 PolarHBondContact O-N 3.22Å
314M94.9Very high93Very high90 Ų90101.2 Ų101.244%0.44350%0.502SS..Hα-helixtrans-66.6-38.9178.8-70.2-58.6-7200112.5L305 D310 V311 R316 L317 Q318L305-M314 HydrophobicContact CD2-CB 4.43Å; L305-M314 HydrophobicContact CD2-CG 3.62Å; D310-M314 WeakPolarHBondContact O-CB 3.33Å; D310-M314 VanDerWaalsContact O-CG 3.29Å; D310-M314 WeakPolarHBondContact O-CG 3.36Å; D310-M314 PolarHBondContact O-N 3.39Å; V311-M314 PolarHBondContact O-N 2.97Å; M314-R316 VanDerWaalsContact C-N 3.32Å; M314-R316 PolarHBondContact O-N 2.83Å; M314-L317 PolarHBondContact O-N 2.97Å; M314-Q318 VanDerWaalsContact O-CB 3.31Å; M314-Q318 WeakPolarHBondContact O-CB 3.43Å; M314-Q318 PolarHBondContact O-N 3.41Å
315A95.2Very high93.2Very high50 Ų5098 Ų9841%0.41349%0.492SS..Hα-helixtrans-61.9-42173.500000111.2V311 Q318 E319V311-A315 WeakPolarHBondContact O-CB 3.34Å; V311-A315 PolarHBondContact O-N 2.87Å; A315-Q318 PolarHBondContact O-N 3.44Å; A315-E319 WeakPolarHBondContact O-CB 3.31Å; A315-E319 PolarHBondContact O-N 3.32Å
316R96.2Very high93Very high170 Ų170101.6 Ų101.664%0.64250%0.501SS*.Hα-helixtrans-66.3-42.4176.3-171.2-174.5-55.1-150.41.9112.1E312 V313 M314 Q318 E319 E320E312-R316 VanDerWaalsContact O-CB 3.27Å; E312-R316 WeakPolarHBondContact O-CB 3.4Å; E312-R316 PolarHBondContact O-N 2.82Å; V313-R316 PolarHBondContact O-N 3.11Å; M314-R316 VanDerWaalsContact C-N 3.32Å; M314-R316 PolarHBondContact O-N 2.83Å; R316-Q318 VanDerWaalsContact C-N 3.34Å; R316-E319 PolarHBondContact O-N 3.04Å; R316-E320 WeakPolarHBondContact O-CB 3.15Å; R316-E320 PolarHBondContact O-N 2.6Å
317L96.6Very high92.5Very high105 Ų10598.2 Ų98.255%0.5550%0.495SS..Hα-helixtrans-62.4-43175.6-97.972.3000111V313 M314 E320 S321V313-L317 HydrophobicContact CG1-CD1 3.88Å; V313-L317 VanDerWaalsContact O-CD1 3.22Å; V313-L317 WeakPolarHBondContact O-CD1 3.32Å; V313-L317 PolarHBondContact O-N 3.22Å; M314-L317 PolarHBondContact O-N 2.97Å; L317-E320 PolarHBondContact O-N 3.35Å; L317-S321 VanDerWaalsContact O-CB 3.3Å; L317-S321 WeakPolarHBondContact O-CB 3.48Å; L317-S321 PolarHBondContact O-N 3.31Å
318Q95.7Very high91.5Very high152 Ų15296.8 Ų96.871%0.7149%0.494SS*.Hα-helixtrans-65.9-41.6177.2-172.2175.511.300111.7M314 A315 R316 L322M314-Q318 VanDerWaalsContact O-CB 3.31Å; M314-Q318 WeakPolarHBondContact O-CB 3.43Å; M314-Q318 PolarHBondContact O-N 3.41Å; A315-Q318 PolarHBondContact O-N 3.44Å; R316-Q318 VanDerWaalsContact C-N 3.34Å; Q318-L322 WeakPolarHBondContact O-CB 3.21Å; Q318-L322 PolarHBondContact O-N 3.33Å
319E94.8Very high90.1Very high102 Ų10294.5 Ų94.548%0.47749%0.487SS..Hα-helixtrans-66.3-39.8176.2176.6175.1-161.100112.3A315 R316 R323A315-E319 WeakPolarHBondContact O-CB 3.31Å; A315-E319 PolarHBondContact O-N 3.32Å; R316-E319 PolarHBondContact O-N 3.04Å; E319-R323 PolarHBondContact O-N 3.37Å; E319-R323 IonicContact OE1-CZ 3.67Å; E319-R323 IonicContact OE1-NH1 3.35Å; E319-R323 PolarHBondContact OE1-NH1 3.17Å; E319-R323 IonicContact OE1-NH2 3.47Å; E319-R323 PolarHBondContact OE1-NH2 3.46Å
320E93.4Very high88.2Confident97 Ų9793.8 Ų93.845%0.45349%0.485SS..Hα-helixtrans-66.8-46175.7179.660.5-146.900111.1R316 L317 L322 R323 Q324R316-E320 WeakPolarHBondContact O-CB 3.15Å; R316-E320 PolarHBondContact O-N 2.6Å; L317-E320 PolarHBondContact O-N 3.35Å; E320-L322 VanDerWaalsContact C-N 3.29Å; E320-L322 PolarHBondContact O-N 2.66Å; E320-R323 PolarHBondContact O-N 2.79Å; E320-R323 VanDerWaalsContact O-N 3.11Å; E320-Q324 WeakPolarHBondContact O-CG 3.31Å; E320-Q324 PolarHBondContact O-N 3Å; E320-Q324 PolarHBondContact OE1-NE2 3.04Å
321S95.5Very high86.2Confident61 Ų6197.2 Ų97.243%0.42751%0.507SS..Hα-helixtrans-56.6-44.8175.1-176.60000111.3L317 R323 Q324 D325L317-S321 VanDerWaalsContact O-CB 3.3Å; L317-S321 WeakPolarHBondContact O-CB 3.48Å; L317-S321 PolarHBondContact O-N 3.31Å; S321-R323 PolarHBondContact O-N 2.83Å; S321-Q324 WeakPolarHBondContact O-CB 3.43Å; S321-Q324 PolarHBondContact O-N 3.29Å; S321-D325 PolarHBondContact O-N 3.42Å
322L95.7Very high84.3Confident97 Ų9796.9 Ų96.951%0.50851%0.508SS..Hα-helixtrans-63.3-41.6176.8-163.874.3000112Q318 E320 Q324 D325 Y326Q318-L322 WeakPolarHBondContact O-CB 3.21Å; Q318-L322 PolarHBondContact O-N 3.33Å; E320-L322 VanDerWaalsContact C-N 3.29Å; E320-L322 PolarHBondContact O-N 2.66Å; L322-Q324 VanDerWaalsContact C-N 3.31Å; L322-Q324 PolarHBondContact O-N 3.11Å; L322-D325 PolarHBondContact O-N 3.37Å; L322-Y326 HydrophobicContact CD1-CE2 4.3Å; L322-Y326 HydrophobicContact CD2-CE2 4Å; L322-Y326 HydrophobicContact CG-CD2 4.11Å; L322-Y326 HydrophobicContact CG-CE2 3.74Å; L322-Y326 WeakPolarHBondContact O-CD2 3.45Å; L322-Y326 PolarHBondContact O-N 2.88Å
323R94.3Very high82.2Confident144 Ų14494.7 Ų94.754%0.54351%0.507SS..Hα-helixtrans-63.9-35.4175.4-80.7-166.4170.177.8-1.2112.5E319 E320 S321 Y326 A327E319-R323 PolarHBondContact O-N 3.37Å; E319-R323 IonicContact OE1-CZ 3.67Å; E319-R323 IonicContact OE1-NH1 3.35Å; E319-R323 PolarHBondContact OE1-NH1 3.17Å; E319-R323 IonicContact OE1-NH2 3.47Å; E319-R323 PolarHBondContact OE1-NH2 3.46Å; E320-R323 PolarHBondContact O-N 2.79Å; E320-R323 VanDerWaalsContact O-N 3.11Å; S321-R323 PolarHBondContact O-N 2.83Å; R323-Y326 PolarHBondContact O-N 3.41Å; R323-A327 WeakPolarHBondContact O-CB 3.46Å; R323-A327 PolarHBondContact O-N 2.91Å
324Q89.6Confident80.1Confident104 Ų10496.4 Ų96.449%0.48652%0.518SS..Hα-helixtrans-66.4-40174.9-71.1177.310.700111.6E320 S321 L322 A327 S328E320-Q324 WeakPolarHBondContact O-CG 3.31Å; E320-Q324 PolarHBondContact O-N 3Å; E320-Q324 PolarHBondContact OE1-NE2 3.04Å; S321-Q324 WeakPolarHBondContact O-CB 3.43Å; S321-Q324 PolarHBondContact O-N 3.29Å; L322-Q324 VanDerWaalsContact C-N 3.31Å; L322-Q324 PolarHBondContact O-N 3.11Å; Q324-A327 PolarHBondContact O-N 2.82Å; Q324-S328 VanDerWaalsContact O-CB 3.24Å; Q324-S328 WeakPolarHBondContact O-CB 3.47Å; Q324-S328 PolarHBondContact O-N 2.86Å; Q324-S328 PolarHBondContact O-OG 3.48Å
325D83.8Confident77.9Confident91 Ų9195.6 Ų95.649%0.48753%0.525SS..Hα-helixtrans-62.6-44173.5-71.8-22000111.4S321 L322 A327 S328 T329S321-D325 PolarHBondContact O-N 3.42Å; L322-D325 PolarHBondContact O-N 3.37Å; D325-A327 PolarHBondContact O-N 3.45Å; D325-S328 PolarHBondContact O-N 2.87Å; D325-T329 VanDerWaalsContact O-CB 3.31Å; D325-T329 WeakPolarHBondContact O-CB 3.11Å; D325-T329 PolarHBondContact O-N 3.23Å; D325-T329 PolarHBondContact O-OG1 3.05Å
326Y81.8Confident75.8Confident155 Ų15598.3 Ų98.361%0.60854%0.537SS*.Hα-helixtrans-61.6-41.8175.2-81-70.8000112.6L322 R323 S330L322-Y326 HydrophobicContact CD1-CE2 4.3Å; L322-Y326 HydrophobicContact CD2-CE2 4Å; L322-Y326 HydrophobicContact CG-CD2 4.11Å; L322-Y326 HydrophobicContact CG-CE2 3.74Å; L322-Y326 WeakPolarHBondContact O-CD2 3.45Å; L322-Y326 PolarHBondContact O-N 2.88Å; R323-Y326 PolarHBondContact O-N 3.41Å; Y326-S330 WeakPolarHBondContact O-CB 3.24Å; Y326-S330 PolarHBondContact O-N 2.93Å; Y326-S330 PolarHBondContact O-OG 3.47Å
327A76.4Confident73.4Confident56 Ų5694.3 Ų94.346%0.46354%0.54SS..Hα-helixtrans-70.3-39.5178.400000112.6R323 Q324 D325 S330 T331R323-A327 WeakPolarHBondContact O-CB 3.46Å; R323-A327 PolarHBondContact O-N 2.91Å; Q324-A327 PolarHBondContact O-N 2.82Å; D325-A327 PolarHBondContact O-N 3.45Å; A327-S330 PolarHBondContact O-N 2.84Å; A327-T331 PolarHBondContact O-N 3.15Å; A327-T331 PolarHBondContact O-OG1 3.39Å
328S71.1Confident70.7Confident73 Ų7392.6 Ų92.651%0.5155%0.548SS..Hα-helixtrans-71.7-34.3179-57.60000112.1Q324 D325 T331 S332Q324-S328 VanDerWaalsContact O-CB 3.24Å; Q324-S328 WeakPolarHBondContact O-CB 3.47Å; Q324-S328 PolarHBondContact O-N 2.86Å; Q324-S328 PolarHBondContact O-OG 3.48Å; D325-S328 PolarHBondContact O-N 2.87Å; S328-T331 WeakPolarHBondContact CA-OG1 3.39Å; S328-T331 PolarHBondContact O-OG1 3.42Å; S328-S332 WeakPolarHBondContact O-CB 3.46Å; S328-S332 PolarHBondContact O-N 3.03Å; S328-S332 PolarHBondContact O-OG 3.36Å
329T61.9Low68.1Low86 Ų8695.5 Ų95.553%0.52855%0.552SS.*Hα-helixtrans-74-35.8173.1-41.60000111.2D325 S332 A333D325-T329 VanDerWaalsContact O-CB 3.31Å; D325-T329 WeakPolarHBondContact O-CB 3.11Å; D325-T329 PolarHBondContact O-N 3.23Å; D325-T329 PolarHBondContact O-OG1 3.05Å; T329-S332 WeakPolarHBondContact CA-OG 3.21Å; T329-S332 PolarHBondContact O-OG 2.85Å; T329-S332 VanDerWaalsContact O-OG 3.11Å; T329-A333 WeakPolarHBondContact O-CB 3.3Å; T329-A333 PolarHBondContact O-N 3.32Å
330S55.7Low65.6Low67 Ų67102 Ų10247%0.46957%0.572SS.*Hα-helixtrans-70.5-36.1177.9-61.70000112.7Y326 A327 T334Y326-S330 WeakPolarHBondContact O-CB 3.24Å; Y326-S330 PolarHBondContact O-N 2.93Å; Y326-S330 PolarHBondContact O-OG 3.47Å; A327-S330 PolarHBondContact O-N 2.84Å; S330-T334 VanDerWaalsContact O-CB 3.31Å; S330-T334 WeakPolarHBondContact O-CB 3.21Å; S330-T334 PolarHBondContact O-N 3.37Å; S330-T334 PolarHBondContact O-OG1 3.42Å
331T53Low62.8Low101 Ų101103 Ų10362%0.6259%0.59SS**Hα-helixtrans-73-36.517643.10000112.4A327 S328 A335A327-T331 PolarHBondContact O-N 3.15Å; A327-T331 PolarHBondContact O-OG1 3.39Å; S328-T331 WeakPolarHBondContact CA-OG1 3.39Å; S328-T331 PolarHBondContact O-OG1 3.42Å; T331-A335 PolarHBondContact O-N 3.49Å
332S53.2Low59.8Low68 Ų68106 Ų10648%0.47661%0.61SS.*Hα-helixtrans-74.3-34.1174.455.80000114S328 T329 T336S328-S332 WeakPolarHBondContact O-CB 3.46Å; S328-S332 PolarHBondContact O-N 3.03Å; S328-S332 PolarHBondContact O-OG 3.36Å; T329-S332 WeakPolarHBondContact CA-OG 3.21Å; T329-S332 PolarHBondContact O-OG 2.85Å; T329-S332 VanDerWaalsContact O-OG 3.11Å; S332-T336 PolarHBondContact O-OG1 2.91Å
333A52.5Low56.7Low51 Ų51107.1 Ų107.142%0.42163%0.627SS.*Hα-helixtrans-73.9-34175.300000113.1T329 T336 A337T329-A333 WeakPolarHBondContact O-CB 3.3Å; T329-A333 PolarHBondContact O-N 3.32Å; A333-T336 PolarHBondContact O-OG1 3.09Å; A333-A337 WeakPolarHBondContact O-CB 3.31Å; A333-A337 PolarHBondContact O-N 3.22Å; A333-A337 VanDerWaalsContact O-N 3.15Å
334T50.2Low53.8Low105 Ų105110 Ų11064%0.64464%0.644SS**Hα-helixtrans-77.5-28.5179.8-46.30000112.2S330 T336S330-T334 VanDerWaalsContact O-CB 3.31Å; S330-T334 WeakPolarHBondContact O-CB 3.21Å; S330-T334 PolarHBondContact O-N 3.37Å; S330-T334 PolarHBondContact O-OG1 3.42Å; T334-T336 VanDerWaalsContact C-N 3.33Å; T334-T336 PolarHBondContact O-N 2.87Å
335A50.1Low51.2Low72 Ų72110 Ų11060%0.59566%0.655SS**Hα-helixtrans-72.3-22.9174.100000113.7T331T331-A335 PolarHBondContact O-N 3.49Å
336T50.5Low48.7Very low108 Ų108112.3 Ų112.366%0.66367%0.667SS**Hα-helixtrans-100.2-20.2-178.947.60000113.9S332 A333 T334S332-T336 PolarHBondContact O-OG1 2.91Å; A333-T336 PolarHBondContact O-OG1 3.09Å; T334-T336 VanDerWaalsContact C-N 3.33Å; T334-T336 PolarHBondContact O-N 2.87Å
337A44.6Very low46.6Very low86 Ų86112.6 Ų112.671%0.71167%0.673SS**Hα-helixtrans-83.8-13.6176.300000114.8A333A333-A337 WeakPolarHBondContact O-CB 3.31Å; A333-A337 PolarHBondContact O-N 3.22Å; A333-A337 VanDerWaalsContact O-N 3.15Å
338G41.1Very low44.4Very low68 Ų68115.1 Ų115.170%0.70169%0.688SS**THydrogen-bonded Turntrans-84.2-4.517900000115.5
339R40.9Very low42.6Very low214 Ų214119.2 Ų119.281%0.80870%0.703SS**SBendtrans-117.578.3-177.8-73.7-179.8150-100.3-2.7110
340R42.8Very low41.2Very low239 Ų239125.9 Ų125.990%0.90272%0.718SS**SBendtrans169.580.3149-91.5167.699.1-1705.1110.5
341S33.9Very low40.2Very low118 Ų118131.5 Ų131.583%0.82573%0.729SS**SBendtrans-171.8134.3133.4-83.60000111.4
342S33.7Very low39.3Very low122 Ų122133.3 Ų133.385%0.85374%0.744SS**  trans79.982.9177.373.60000117.7
343S30.5Very low38.4Very low122 Ų122137.5 Ų137.585%0.85376%0.757SS**  trans-81.8111.9157.344.20000110.5
344F31.9Very low37.8Very low204 Ų204142.1 Ų142.190%0.89577%0.773SS**  trans-124.3125.713288.8-89.4000106
345S36.1Very low36.8Very low104 Ų104144.4 Ų144.473%0.72778%0.782SS**  trans-129132.5-174170.40000107.7
346L31.9Very low36.4Very low139 Ų139147.3 Ų147.373%0.72879%0.787SS**  trans-149.2129.3147.1-80-172.2000110.8
347H36.8Very low35.7Very low162 Ų162150.4 Ų150.475%0.7579%0.793SS**  trans79.890.7165.6-34.7-56.3000115.7
348S31Very low35.1Very low109 Ų109153.4 Ų153.476%0.76279%0.793SS**  6699.455.1-155.10000116.1
349L32Very low34.9Very low158 Ų158157.6 Ų157.683%0.82779%0.794SS**  42.699.3123.4-165.982.9000118.8
350R33.4Very low34.9Very low226 Ų226153.2 Ų153.285%0.85379%0.786SS**  trans-161.7137.1146.5-70.4-60.3179.1112-0.9104.4
351R34.3Very low35.1Very low185 Ų185149.1 Ų149.170%0.69878%0.778SS**  cis-165.8130.711.2-166-169.5-70.4178.5-1.1104.5E353R351-E353 IonicContact NH1-OE2 3.72Å
352C34.5Very low35.6Very low139 Ų139151.8 Ų151.894%0.93978%0.777SS**  trans-77.7122.2153.9-86.30000105.7
353E33Very low36.2Very low157 Ų157152.7 Ų152.773%0.73477%0.772SS**  trans-144.3134157.9-146172.1-160.700109.5R351R351-E353 IonicContact NH1-OE2 3.72Å
354L41.1Very low37Very low148 Ų148155 Ų15578%0.77577%0.77SS**  trans-75.3130.1174.8173.9159.3000106.7
355D29.8Very low37.3Very low153 Ų153148.4 Ų148.482%0.81876%0.759SS**  trans-157.3143.5147.2-143.14.7000113.4
356L41.6Very low37.3Very low133 Ų133154 Ų15470%0.69677%0.766SS**  trans-86.8170.9179.5-86.5141.9000110.5
357E35.3Very low37.9Very low172 Ų172152.1 Ų152.180%0.80476%0.757SS**  trans78.4145.4161.2-36.1-150.6131.200113.8
358E32.3Very low38.2Very low150 Ų150151.3 Ų151.370%0.70175%0.753SS**  cis-162.1-173.44.3-142172.5-173.200105.1
359E36Very low39Very low156 Ų156153.1 Ų153.173%0.72975%0.754SS**  trans-14.2156.1150.1-82.6154.9124.900117.3
360D41.4Very low39.7Very low121 Ų121150.8 Ų150.865%0.64775%0.748SS**  cis-169.3-176.323.6-148.9-15.6000106.9
361E45.8Very low40.2Very low153 Ų153145.9 Ų145.972%0.71575%0.745SS**  trans-41.1178.4173.6-65.4172.7174.100120.3
362E45.5Very low40.5Very low174 Ų174142.9 Ų142.981%0.81375%0.75SS**  trans89.5100.8158.5-48.8179.5-145.700115.4
363D46.7Very low41.2Very low141 Ų141144.7 Ų144.775%0.75474%0.744SS**  59.7132.575.4-147.919.4000115.4
364E45.6Very low41.7Very low172 Ų172143.5 Ų143.580%0.80475%0.75SS**  trans67.2110.3163.8-47-140.9175.200121.1
365G39.9Very low41.5Very low65 Ų65147 Ų14767%0.6775%0.753SS**  115.1132.1118.800000118.8
366Y36Very low41.7Very low221 Ų221146 Ų14687%0.86775%0.747SS**  trans75137.1155.9-75.4-95.5000116.5
367D44.3Very low41.3Very low100 Ų100147.8 Ų147.854%0.53575%0.749SS.*  cis-166155.51.9-149.6-9.1000108.8
368Q41.5Very low41.3Very low144 Ų144149.1 Ų149.167%0.67375%0.747SS**  trans61.9104139-90.2153.649.400123.2
369L48.6Very low41.5Very low148 Ų148148.2 Ų148.278%0.77575%0.752SS**  109.2130.5124.2-60.7174.1000117.8
370P47.4Very low41.3Very low109 Ų109144.2 Ų144.271%0.70875%0.753SS**PPolyproline II helixtrans-77.5134.2169.531.9-30.2000109.8
371P44Very low40.8Very low122 Ų122143.8 Ų143.879%0.79276%0.759SS**PPolyproline II helixtrans-64.4142.716922.2-28.1000110.9
372P40.3Very low40.1Very low122 Ų122143.8 Ų143.879%0.79276%0.761SS**PPolyproline II helixtrans-83.2140.5-150.531.7-36.5000114.5
373Q48.9Very low39.7Very low178 Ų178143 Ų14383%0.83276%0.757SS**PPolyproline II helixtrans-74.8136.7168.5-66.6-175.9-22.300111.5R375Q373-R375 PolarHBondContact O-N 2.96Å; Q373-R375 VanDerWaalsContact O-N 3.1Å
374P42.5Very low39.2Very low132 Ų132147.6 Ų147.686%0.85776%0.764SS**  trans-72.410316327.9-28.9000110.4
375R37.5Very low38.5Very low222 Ų222143 Ų14384%0.83876%0.762SS**  trans-38.3146154.2-76.6-167.7-166.6126.11.7112.7Q373Q373-R375 PolarHBondContact O-N 2.96Å; Q373-R375 VanDerWaalsContact O-N 3.1Å
376L34.9Very low38.1Very low130 Ų130145.8 Ų145.868%0.68177%0.772SS**  cis-164.5154.52-82.7157.8000106.5
377F32.6Very low38.5Very low171 Ų171142.8 Ų142.875%0.7577%0.768SS**  trans18153.6130.5-59.6-83.9000119.3
378R34.6Very low38.5Very low200 Ų200143 Ų14376%0.75578%0.775SS**  cis171.3145.222.6138.1-168-58.6-116.17.7107.6
379T36.9Very low38.1Very low132 Ų132143.8 Ų143.881%0.8178%0.778SS**  trans40.4136.9151.9690000123.4
380G31.7Very low37.4Very low72 Ų72140.8 Ų140.874%0.74277%0.769SS**  trans166.3108.4152.100000110.8
381S31Very low36.8Very low111 Ų111143.4 Ų143.478%0.77677%0.772SS**  87.8110.285.2171.20000114.1
382M32.5Very low36.3Very low153 Ų153143.3 Ų143.375%0.75477%0.769SS**  trans55.9111.3144.4-62.4-65115.100121.3
383Q35.9Very low36.3Very low158 Ų158146.6 Ų146.674%0.73877%0.771SS**  85.5125.3112.7-153.8156.730.200121.5
384R37.1Very low35.3Very low237 Ų237143.9 Ų143.989%0.89477%0.772SS**  trans70.7134.3166.9-72.3-176.4-138.9-143.84.6117.2
385G31.2Very low34.7Very low75 Ų75142.4 Ų142.477%0.77377%0.765SS**  cis-167.1143.50.500000107.3
386S30.8Very low34.6Very low124 Ų124141.5 Ų141.587%0.86777%0.767SS**  180132.596.5-176.30000108.6
387M44.6Very low35Very low158 Ų158145.8 Ų145.878%0.77878%0.775SS**  trans-70.1172.6160.6-129.388.574.500109.5
388P44.4Very low35.1Very low105 Ų105144.9 Ų144.968%0.68278%0.778SS**  cis-131.7154.235.212.515.1000118.9
389H31.7Very low34.9Very low161 Ų161141.6 Ų141.675%0.74578%0.783SS**  trans62105.2140.8-61.9-50.3000120.4
390S34Very low34.8Very low84 Ų84145.9 Ų145.959%0.58779%0.785SS**  72.9133.276.774.60000113.3
391H36.1Very low34.7Very low164 Ų164154.2 Ų154.276%0.75979%0.794SS**  cis-163.1132.932.6-88.8-77.5000108.3
392T33.2Very low34.7Very low120 Ų120154.8 Ų154.874%0.73679%0.793SS**  86.1123.688.1-45.10000116.9
393F39.2Very low34.8Very low191 Ų191153.4 Ų153.484%0.83880%0.798SS**  trans-34.8157.2173.5-77.5-100.6000121.4
394S28.3Very low34.6Very low121 Ų121150.6 Ų150.685%0.84680%0.802SS**  trans-154.7110.5145.4-69.70000106.9
395S30.3Very low34.3Very low102 Ų102142.8 Ų142.871%0.71380%0.796SS**  cis53.295.343.3-159.10000113.6
396F36Very low35.2Very low202 Ų202145.1 Ų145.189%0.88680%0.797SS**  trans-91.2109.5173.455.5-86.6000109.5
397R43.3Very low35.3Very low221 Ų221147.9 Ų147.983%0.83480%0.796SS**  trans-131.7130.3151.8-79.9-165.6178.5-162.20.8108.2
398D34.1Very low34.5Very low152 Ų152149 Ų14981%0.81380%0.797SS**  trans18.5120.3151.5-58.4-61.2000118.9
399C30.5Very low33.7Very low130 Ų130149.7 Ų149.788%0.87880%0.804SS**  trans-14797.9150.5-92.80000112
400R34Very low33.7Very low222 Ų222149.6 Ų149.684%0.83881%0.809SS**  trans7.1119.2132.7-172.8-179-74.7-106.21.7116.2T402R400-T402 HydrophobicContact CG-CG2 4.45Å
401R30Very low33.4Very low248 Ų248151.3 Ų151.394%0.93682%0.82SS**  trans-84.3113.5168.9-153.7-175.9-58.3-102.53.4108.7
402T30.7Very low33.1Very low122 Ų122147.2 Ų147.275%0.74882%0.823SS**  trans-117.5125.7163.936.20000108.6R400R400-T402 HydrophobicContact CG-CG2 4.45Å
403S34.9Very low33.2Very low125 Ų125149.8 Ų149.887%0.87483%0.831SS**  trans-88135.1176.8175.10000110.2
404A32Very low32.8Very low98 Ų98146.3 Ų146.381%0.8183%0.83SS**  trans-170.9119.2150.400000112.2
405G31.1Very low33.2Very low74 Ų74148.6 Ų148.676%0.76383%0.828SS**  trans81.6122.3131.300000120.9
406P51.3Low33.2Very low123 Ų123152.2 Ų152.280%0.79984%0.838SS**  trans-94.2153.6177.137-30.2000112
407Q30.9Very low33.1Very low182 Ų182148.6 Ų148.685%0.8584%0.838SS**  trans-159.7151.5150.4-77.5-131.5-4.300114.3
408F29.2Very low32.4Very low181 Ų181141.5 Ų141.579%0.79483%0.834SS**  trans-50.2151.8-172.7-60.2-98.3000118.9
409S27.9Very low32.8Very low120 Ų120140.7 Ų140.784%0.83984%0.837SS**  170.3141.9104-74.30000115.6
410L31.8Very low32.8Very low160 Ų160140.2 Ų140.284%0.83884%0.835SS**  trans-33.2156171.3-78.4149000123
411S27.2Very low32.6Very low119 Ų119134.6 Ų134.683%0.83283%0.83SS**  trans90131135.6-74.90000121.5
412G30.2Very low32.9Very low79 Ų79131 Ų13181%0.81483%0.828SS**  trans159.289.7158.500000114.7
413L35Very low33.1Very low173 Ų173133.3 Ų133.391%0.90683%0.834SS**  trans-60.7145.1173.6-67.5157.7000113
414S31.1Very low33Very low118 Ų118131.3 Ų131.383%0.82583%0.825SS**  -161.4128.3129.3-160.40000112.1
415Q35.8Very low33.1Very low169 Ų169133.4 Ų133.479%0.7982%0.823SS**  trans-74.9152.3171.7-64.8159.5-3.600110.2
416L31.3Very low33.5Very low178 Ų178136.1 Ų136.193%0.93283%0.825SS**  trans-171.9131.4138.1-94.2151000110.2
417S32.4Very low32.9Very low126 Ų126139 Ų13988%0.88183%0.827SS**  trans-69.9159.3-171.6-530000116
418G29.9Very low33.3Very low73 Ų73135 Ų13575%0.75383%0.825SS**  trans132.8130.6141.400000117
419P42Very low33.8Very low135 Ų135130.1 Ų130.188%0.87782%0.818SS**  trans-91150.1-163.637-33.6000113.5
420S29.1Very low34.5Very low119 Ų119134.8 Ų134.883%0.83282%0.819SS**  trans-147.1105159.4-167.40000110.6
421S30.6Very low35.2Very low104 Ų104138 Ų13873%0.72782%0.82SS**  trans-66.1128.4167.8490000111.3
422L35.5Very low35.9Very low172 Ų172135.5 Ų135.590%0.90180%0.803SS**  trans-151.2102.6143.5-78.9-174.7000108.9
423I35.5Very low36.9Very low171 Ų171133.8 Ų133.888%0.87779%0.785SS**  trans-93.2125.2156-67172.9000105.6
424A33.7Very low37.9Very low84 Ų84128.1 Ų128.169%0.69476%0.763SS**  trans-145.4105.1158.100000108.9
425D33Very low39.1Very low142 Ų142126.7 Ų126.776%0.75975%0.746SS**  trans44.4104.6142.9-60.5-36.5000120.3
426T38.9Very low40.5Very low131 Ų131125.4 Ų125.480%0.80474%0.738SS**  trans-124.862.3158.9-41.50000110.5
427H40.5Very low42.1Very low182 Ų182122.2 Ų122.284%0.84372%0.721SS**  trans-1086.6173.6-86.7-76.1000114.8
428A38.9Very low43.6Very low98 Ų98124.3 Ų124.381%0.8171%0.71SS**SBendtrans-92.7-8.1-177.300000115.6
429A40Very low45.1Very low79 Ų79130.8 Ų130.865%0.65371%0.712SS**SBendtrans-84-14.6-17300000115
430Y42.5Very low46.1Very low219 Ų219128.2 Ų128.286%0.85970%0.697SS**THydrogen-bonded Turntrans-84.1-15.1-168.1-153.2-100.3000115
431R46.8Very low47.5Very low228 Ų228127.1 Ų127.186%0.8668%0.68SS**THydrogen-bonded Turntrans-83.8-16.4179.1-70.5-150.1-151.1-84.62.7115.1
432S41.9Very low48.6Very low66 Ų66126.1 Ų126.146%0.46267%0.671SS.*Hα-helixtrans-85.2-18.1-178.2-168.60000113.7K436S432-K436 WeakPolarHBondContact O-CG 3.17Å
433G50.7Low49.4Very low43 Ų43125.4 Ų125.444%0.44367%0.668SS.*Hα-helixtrans-73.6-33-178.100000114K436 L437G433-K436 PolarHBondContact O-N 3.44Å; G433-L437 WeakPolarHBondContact O-CB 3.45Å; G433-L437 PolarHBondContact O-N 3.01Å
434A56.4Low50.2Low54 Ų54123.3 Ų123.345%0.44666%0.658SS.*Hα-helixtrans-67-40.6-177.400000112.3K436 L437 R438A434-K436 VanDerWaalsContact C-N 3.34Å; A434-L437 PolarHBondContact O-N 3.49Å; A434-R438 WeakPolarHBondContact O-CB 3.27Å; A434-R438 VanDerWaalsContact O-CG 3.24Å; A434-R438 WeakPolarHBondContact O-CG 3.29Å; A434-R438 PolarHBondContact O-N 3.17Å
435D55.5Low50.9Low88 Ų88124.8 Ų124.847%0.47165%0.653SS.*Hα-helixtrans-73.4-27.9178.8-65.7-44.4000112.8R439D435-R439 WeakPolarHBondContact O-CD 3.42Å; D435-R439 WeakPolarHBondContact O-CG 3.39Å; D435-R439 PolarHBondContact O-N 3.45Å
436K65.8Low51.5Low141 Ų141129 Ų12961%0.61366%0.658SS**Hα-helixtrans-73.6-39.8173.5-69.7173.1178.71770111.1S432 G433 A434 R439 S440S432-K436 WeakPolarHBondContact O-CG 3.17Å; G433-K436 PolarHBondContact O-N 3.44Å; A434-K436 VanDerWaalsContact C-N 3.34Å; K436-R439 PolarHBondContact O-N 3.13Å; K436-S440 PolarHBondContact O-N 3.24Å; K436-S440 PolarHBondContact O-OG 3.24Å
437L64.9Low51.4Low112 Ų112127.2 Ų127.259%0.58666%0.657SS**Hα-helixtrans-65.7-39.1175.4-16768.1000111.9G433 A434 R439 S440 M441G433-L437 WeakPolarHBondContact O-CB 3.45Å; G433-L437 PolarHBondContact O-N 3.01Å; A434-L437 PolarHBondContact O-N 3.49Å; L437-R439 VanDerWaalsContact C-N 3.31Å; L437-R439 PolarHBondContact O-N 3.46Å; L437-S440 WeakPolarHBondContact CA-OG 3.41Å; L437-S440 PolarHBondContact O-N 3.35Å; L437-S440 PolarHBondContact O-OG 3.1Å; L437-M441 WeakPolarHBondContact O-CB 3.22Å; L437-M441 PolarHBondContact O-N 3.02Å
438R62.8Low51.5Low170 Ų170124.1 Ų124.164%0.64265%0.653SS**Hα-helixtrans-68.2-27.1175.1-71.4177.571.41594.3113.5A434A434-R438 WeakPolarHBondContact O-CB 3.27Å; A434-R438 VanDerWaalsContact O-CG 3.24Å; A434-R438 WeakPolarHBondContact O-CG 3.29Å; A434-R438 PolarHBondContact O-N 3.17Å
439R62.7Low51.5Low209 Ų209124.6 Ų124.679%0.78965%0.65SS**Hα-helixtrans-84.6-27.1174.9-70.1172.9-161.6-89.82.7112.8D435 K436 L437D435-R439 WeakPolarHBondContact O-CD 3.42Å; D435-R439 WeakPolarHBondContact O-CG 3.39Å; D435-R439 PolarHBondContact O-N 3.45Å; K436-R439 PolarHBondContact O-N 3.13Å; L437-R439 VanDerWaalsContact C-N 3.31Å; L437-R439 PolarHBondContact O-N 3.46Å
440S61.8Low51.4Low81 Ų81128.7 Ų128.757%0.56666%0.658SS**Hα-helixtrans-86.9-11.9176.266.50000114.1K436 L437K436-S440 PolarHBondContact O-N 3.24Å; K436-S440 PolarHBondContact O-OG 3.24Å; L437-S440 WeakPolarHBondContact CA-OG 3.41Å; L437-S440 PolarHBondContact O-N 3.35Å; L437-S440 PolarHBondContact O-OG 3.1Å
441M59.3Low51.2Low96 Ų96123.7 Ų123.747%0.47365%0.652SS.*  trans-127.870.5179.5-70.8-81.1-106.600110.8L437 N443 L444L437-M441 WeakPolarHBondContact O-CB 3.22Å; L437-M441 PolarHBondContact O-N 3.02Å; M441-N443 PolarHBondContact O-N 2.9Å; M441-N443 VanDerWaalsContact O-N 3.15Å; M441-L444 HydrophobicContact CB-CD1 4.01Å; M441-L444 HydrophobicContact CE-CD1 3.12Å; M441-L444 HydrophobicContact CG-CD1 4.25Å; M441-L444 HydrophobicContact SD-CD1 3.73Å
442P54.4Low50.6Low82 Ų82118.5 Ų118.553%0.53265%0.651SS.*THydrogen-bonded Turntrans-66.8-12.6-178.126.1-33.4000114.1I445P442-I445 WeakPolarHBondContact O-CG1 3.3Å
443N50.8Low50.3Low157 Ų157121.3 Ų121.384%0.8467%0.665SS**THydrogen-bonded Turntrans-98.67.1-174.3-62.7-28.3000115M441M441-N443 PolarHBondContact O-N 2.9Å; M441-N443 VanDerWaalsContact O-N 3.15Å
444L52.7Low49.7Very low127 Ų127125 Ų12567%0.66568%0.681SS**  trans-113.111.7-178.2-84.6134.6000114.3M441 R446M441-L444 HydrophobicContact CB-CD1 4.01Å; M441-L444 HydrophobicContact CE-CD1 3.12Å; M441-L444 HydrophobicContact CG-CD1 4.25Å; M441-L444 HydrophobicContact SD-CD1 3.73Å; L444-R446 PolarHBondContact O-N 3.42Å
445I48.2Very low48.5Very low116 Ų116128 Ų12860%0.59570%0.699SS**SBendtrans-88.8108175.326.4173.5000110.1P442P442-I445 WeakPolarHBondContact O-CG1 3.3Å
446R45.6Very low47.8Very low229 Ų229130.4 Ų130.486%0.86472%0.716SS**  trans64.690161.5-169175.2-84.3-162.2-6.1115.2L444 P448L444-R446 PolarHBondContact O-N 3.42Å; R446-P448 WeakPolarHBondContact O-CD 3.46Å
447A37.6Very low46.6Very low94 Ų94129 Ų12978%0.77772%0.722SS**PPolyproline II helixtrans-55.7125.5152.800000108.4S449A447-S449 PolarHBondContact O-N 2.66Å
448P41.7Very low44.9Very low117 Ų117130 Ų13076%0.7674%0.737SS**PPolyproline II helixtrans-62.7124.1167.9-14.528.1000107.9R446 M450R446-P448 WeakPolarHBondContact O-CD 3.46Å; P448-M450 PolarHBondContact O-N 2.79Å
449S39.3Very low43.5Very low109 Ų109130.1 Ų130.176%0.76275%0.749SS**PPolyproline II helixtrans-50.8128.6161.249.40000109.2A447A447-S449 PolarHBondContact O-N 2.66Å
450M38.2Very low42Very low165 Ų165125 Ų12581%0.81375%0.751SS**  trans-44.1125.2170.1-75.1-65.7-44.100111.4P448 S452P448-M450 PolarHBondContact O-N 2.79Å; M450-S452 PolarHBondContact O-N 2.83Å
451P38Very low40.4Very low114 Ų114126.5 Ų126.574%0.7476%0.762SS**PPolyproline II helixtrans-72.2125.4163.227.5-29.3000109.4
452S34.6Very low39.7Very low119 Ų119127.8 Ų127.883%0.83278%0.777SS**PPolyproline II helixtrans-54.3146.9174.4-660000112.9M450M450-S452 PolarHBondContact O-N 2.83Å
453V36.2Very low38.5Very low125 Ų125130.5 Ų130.576%0.75879%0.792SS**PPolyproline II helixtrans-52.4141.3175-179.40000112S455V453-S455 PolarHBondContact O-N 2.78Å
454P37.9Very low37.8Very low121 Ų121130 Ų13079%0.78679%0.789SS**PPolyproline II helixtrans-68.3120.6172.5-10.125.1000110.4
455S31.2Very low37.7Very low116 Ų116129.4 Ų129.481%0.81179%0.793SS**PPolyproline II helixtrans-77.5133.3169.7-60.70000109.8V453V453-S455 PolarHBondContact O-N 2.78Å
456V41.1Very low37.8Very low138 Ų138129.1 Ų129.184%0.83680%0.799SS**PPolyproline II helixtrans-63.2130.9179.5-152.70000110.4C458V456-C458 PolarHBondContact O-N 2.81Å
457P40.5Very low37.3Very low112 Ų112123 Ų12373%0.72779%0.791SS**  trans-84.1113.8174.930-30.1000111.4L459P457-L459 PolarHBondContact O-N 2.85Å
458C28.8Very low37.2Very low134 Ų134126.5 Ų126.591%0.90580%0.797SS**PPolyproline II helixtrans-70.7117.2162-89.70000109.6V456V456-C458 PolarHBondContact O-N 2.81Å
459L33.3Very low36.9Very low172 Ų172124.5 Ų124.590%0.90180%0.797SS**PPolyproline II helixtrans-84.8121.2170.3-73.9169.7000110.3P457P457-L459 PolarHBondContact O-N 2.85Å
460A31.5Very low37.5Very low100 Ų100125.5 Ų125.583%0.82680%0.801SS**PPolyproline II helixtrans-85.9145.116600000110.7
461S27.1Very low37.3Very low113 Ų113123.3 Ų123.379%0.7980%0.802SS**PPolyproline II helixtrans-59.3153.6-176.5-169.80000115.4
462P44.6Very low37.2Very low123 Ų123123.8 Ų123.880%0.79981%0.808SS**PPolyproline II helixtrans-102.7162.4159.436-25.7000112.7
463V30.5Very low37.4Very low139 Ų139126.2 Ų126.284%0.84281%0.811SS**PPolyproline II helixtrans-96.7148.2-172.886.70000111.7
464N35.8Very low37.8Very low146 Ų146125.8 Ų125.878%0.78181%0.811SS**  trans-26175.4168.3-89.8-52.7000121
465P50.9Low38.2Very low115 Ų115125.8 Ų125.875%0.74781%0.81SS**  cis-141.2-149.320.138.6-12.4000114.9
466P50.1Low38.6Very low110 Ų110128.2 Ų128.271%0.71481%0.811SS**  -128.8171.7-98.240.6-20.6000117
467S33.6Very low38.5Very low101 Ų101127.3 Ų127.371%0.70681%0.808SS**  154.7130.5126.462.90000116.9
468N36.6Very low38.1Very low168 Ų168126.5 Ų126.590%0.89881%0.805SS**  trans65.8126.5148.2-534.8000119.6
469G34.3Very low38.4Very low74 Ų74126.6 Ų126.676%0.76380%0.796SS**  cis174.4-171.113.600000108.8
470P53.2Low38.5Very low131 Ų131128.5 Ų128.585%0.85179%0.791SS**  -121.8156.8-99.938.7-28.9000116.1
471S32.7Very low38.3Very low119 Ų119128.2 Ų128.283%0.83278%0.783SS**  -176.7140.1126.5-139.50000114.6
472S36.9Very low38.4Very low123 Ų123127.5 Ų127.586%0.8678%0.778SS**  trans83.2121.8175.665.10000119.6
473L39.3Very low38.3Very low170 Ų170129.8 Ų129.889%0.8978%0.778SS**  trans-109.6-174.5-158.7-65.7161.5000112.3
474P44.7Very low38.2Very low117 Ų117127 Ų12776%0.7677%0.765SS**  cis-126.5178.5-42.330-9.5000113.3
475P44.9Very low38Very low120 Ų120128.7 Ų128.778%0.77977%0.766SS**  trans-110.8165.9-158.839.3-29.3000117.5
476M40.5Very low36.9Very low167 Ų167129.1 Ų129.182%0.82376%0.762SS**  trans-14.4163.6168.1-52.5-69-81.700120.6
477P39.3Very low36.1Very low119 Ų119128.5 Ų128.577%0.77376%0.76SS**  -144.7136.996.935.1-17.8000113.8
478S32.5Very low36.1Very low95 Ų95128.1 Ų128.166%0.66476%0.757SS**  36.1113.897.1-1710000114.6
479L33.7Very low36Very low137 Ų137125.9 Ų125.972%0.71776%0.755SS**  trans-167.2131.7140.1-88.2-162000111.6
480R36.6Very low36.1Very low211 Ų211126.2 Ų126.280%0.79676%0.758SS**  trans59.8122.7133.1-77172.5-150.6-113.2-7.3119.2
481S26.3Very low35.6Very low95 Ų95128 Ų12866%0.66476%0.759SS**  75.5122.662.7-174.90000112.4
482S29.7Very low35.9Very low98 Ų98130.1 Ų130.169%0.68576%0.761SS**  trans69.6138.5150.2-49.90000114.7
483Q41.2Very low35.9Very low171 Ų171135.2 Ų135.280%0.79976%0.761SS**  -171132.864.3-83.6-166.774.300105.7
484S29.3Very low35.8Very low80 Ų80134.8 Ų134.856%0.55976%0.759SS**  54.2131.17183.50000110.6
485F32.5Very low35.3Very low181 Ų181137.4 Ų137.479%0.79476%0.761SS**  cis-152141.725.4-101.8-95.3000104.1
486D27.7Very low34.5Very low125 Ų125136.3 Ų136.367%0.66876%0.756SS**  69134.787.7-148.6-8.2000114.1
487S32.7Very low34.1Very low96 Ų96133.2 Ų133.267%0.67175%0.751SS**  trans69151.5165.6-66.30000117.8
488S33.9Very low34.1Very low94 Ų94134.8 Ų134.866%0.65775%0.751SS**  cis-177149.4-15.4-87.30000104.1
489S34.6Very low34.2Very low121 Ų121136.3 Ų136.385%0.84676%0.759SS**  trans41.4123.1147.263.50000120.5
490G35.3Very low34.5Very low81 Ų81134.6 Ų134.684%0.83576%0.759SS**  trans163.896.9154.100000115.4
491L42.6Very low34.9Very low167 Ų167129.4 Ų129.487%0.87475%0.752SS**  trans-54.1140.3173.3-60.5165.1000112.5
492L38.5Very low35.1Very low165 Ų165130.2 Ų130.286%0.86475%0.753SS**  162.8140.4113.9-84.4165.2000112.4
493R38.1Very low35.3Very low229 Ų229132.6 Ų132.686%0.86475%0.753SS**  trans99.788.4145.9-150.5176-137.6130.80.9118
494L36.9Very low34.9Very low161 Ų161130.6 Ų130.684%0.84375%0.747SS**  178102.3126.6-87.5167.5000105.5
495Q35.1Very low35.3Very low173 Ų173132.4 Ų132.481%0.80876%0.755SS**  35119.478.9-73.3-105-0.800110.9
496S28.1Very low35.3Very low97 Ų97132.5 Ų132.568%0.67876%0.758SS**  cis-173.4151.915.245.10000109.2
497S30.3Very low35.9Very low102 Ų102138.4 Ų138.471%0.71377%0.771SS**  trans-1.8129.2151.3-39.30000121.7
498I39.6Very low35.8Very low151 Ų151139.3 Ų139.377%0.77477%0.772SS**  trans52.7132.5133-43.6165.4000118.2
499P35.2Very low35.9Very low128 Ų128143 Ų14383%0.83178%0.779SS**  -139.6133.7103.834-18.5000113.8
500S39.8Very low35.9Very low101 Ų101142 Ų14271%0.70677%0.772SS**  -101.5148.8119.293.40000104.6
501P44.6Very low36Very low101 Ų101144.8 Ų144.866%0.65677%0.773SS**  -162.6-171.867.140.4-16.5000116.2
502V31.8Very low35.5Very low112 Ų112140.1 Ų140.168%0.67977%0.765SS**  trans76.3146.5136.4155.20000118.5
503Q32.9Very low35.2Very low149 Ų149139.5 Ų139.570%0.69676%0.762SS**  cis162.3142.5-6.5-145.417740.600102.9
504L34.2Very low35.1Very low128 Ų128137.7 Ų137.767%0.6776%0.761SS**  148.6120.4104.2-90.4158.1000109.5
505T36.8Very low34.7Very low118 Ų118135.4 Ų135.472%0.72476%0.758SS**  trans31.8133.1130.4600000122
506Q32.3Very low34.5Very low184 Ų184131.6 Ų131.686%0.8675%0.751SS**  trans105.7102.1132.2-142.8-178.160.500118
507R39.8Very low35Very low249 Ų249133 Ų13394%0.9476%0.755SS**  trans-155.9136.8132.4-168.7168-101.8144.7-5.9111.1
508V31.6Very low35.6Very low114 Ų114133.4 Ų133.469%0.69176%0.756SS**  trans-92.6165.3-170-175.20000110.9
509Q36.7Very low35.3Very low171 Ų171137 Ų13780%0.79976%0.76SS**  trans111.698.1151.7-58.2178.925.600114.9
510S34.6Very low35.2Very low100 Ų100138.2 Ų138.270%0.69975%0.754SS**  82.8125.191.179.10000112.3
511V36.1Very low34.9Very low141 Ų141140.6 Ų140.686%0.85575%0.754SS**  -164.9164.366.2-83.80000112.3
512G31.6Very low34.3Very low69 Ų69144.1 Ų144.171%0.71177%0.767SS**  trans-59.5175.3-167.900000118.8
513N32.8Very low34.5Very low152 Ų152148.2 Ų148.281%0.81378%0.775SS**  -163161.656.4-103.913.8000113.3
514F35.4Very low34.7Very low191 Ų191145.2 Ų145.284%0.83878%0.776SS**  trans-42.3165.9173.3-48.2-91.9000116.3
515S30.4Very low34.8Very low112 Ų112145.5 Ų145.578%0.78378%0.783SS**  cis-165.4171.423.8-168.60000111.2
516S30.8Very low34.6Very low94 Ų94144.2 Ų144.266%0.65779%0.785SS**  trans-62.1149.7-174.654.60000120.1
517T38Very low34.4Very low125 Ų125146.1 Ų146.177%0.76779%0.785SS**  trans1.3153.7139.269.10000119.8
518P43.5Very low34.3Very low112 Ų112140 Ų14073%0.72778%0.776SS**  -156.3158.975.937.4-14.6000120.4
519R33.1Very low34.5Very low227 Ų227139.8 Ų139.886%0.85778%0.779SS**  trans55.9121.3142-68.5-176.2-153.3-1284.9125.3
520Q33.2Very low35.2Very low153 Ų153137.4 Ų137.472%0.71578%0.778SS**  52.9128.6123.7-78.2-168.6-40.200127
521Q33.4Very low35.2Very low151 Ų151139.3 Ų139.371%0.70679%0.786SS**  trans66.6135.8131.4-65.8-170.3-4.400123.4
522L32.5Very low35.2Very low174 Ų174138.9 Ų138.991%0.91178%0.783SS**  174163.8111.8-97.3137.4000113.8
523K36.1Very low35.4Very low199 Ų199144.7 Ų144.787%0.86579%0.792SS**  trans-127.1138.5-164.8-178.6-179.7-177.2-179.20109
524A36.6Very low35.4Very low85 Ų85146.4 Ų146.470%0.70280%0.795SS**  trans175.2120.4160.500000111.5
525T36.3Very low35.2Very low135 Ų135140.7 Ų140.783%0.82879%0.79SS**  85.3122.386.666.10000117.5
526A31.3Very low36.4Very low91 Ų91141.1 Ų141.175%0.75279%0.79SS**  87.7131.112700000123.3
527Y28.9Very low36.4Very low223 Ų223143 Ų14388%0.87580%0.798SS**  trans88.6136130.4-115.2-115.3000122.7
528V37.1Very low36.1Very low122 Ų122141.7 Ų141.774%0.73979%0.794SS**  trans87.1119.9153.1-167.60000120.8
529S37.5Very low35.6Very low108 Ų108142.6 Ų142.676%0.75580%0.797SS**PPolyproline II helixtrans-77.9148.8159.2-47.70000112
530P49.7Very low35.3Very low122 Ų122137.8 Ų137.879%0.79280%0.798SS**PPolyproline II helixtrans-103.9123.1158.230.1-18.8000111.8
531T35Very low35.1Very low139 Ų139138 Ų13885%0.85380%0.804SS**PPolyproline II helixtrans-70.3129.4154.8410000110.1
532V37.1Very low34.7Very low132 Ų132135.4 Ų135.480%0.880%0.802SS**  trans-140.3132.6156.1179.90000109.6
533Q34.6Very low34.6Very low192 Ų192133.2 Ų133.290%0.89780%0.796SS**  trans-107.2116.7-174.8-171.2156.636.200108.2
534Q33.8Very low34.4Very low188 Ų188129.1 Ų129.188%0.87979%0.793SS**  trans-156.6122.6165.3-99.8173.45.200108.4
535G30.1Very low34.1Very low71 Ų71129.6 Ų129.673%0.73280%0.797SS**  trans-107.4-159.3157.600000109.1
536P55.3Low33.7Very low120 Ų120128.7 Ų128.778%0.77980%0.796SS**  cis-123.4166.6-36.536.5-22.1000111.2
537T32.1Very low34.2Very low134 Ų134132.3 Ų132.382%0.82280%0.802SS**  trans160.5131.8137.947.40000113.6
538S31.8Very low34.3Very low98 Ų98127.4 Ų127.469%0.68580%0.8SS**  trans56.1105.1142.961.60000121.9
539T31.8Very low34.1Very low130 Ų130127.1 Ų127.180%0.79880%0.802SS**  29.1119.8120.8520000119.6
540S27.8Very low34Very low126 Ų126128.9 Ų128.988%0.88180%0.802SS**  -162.3158.2116.7-91.40000113.5
541L29.2Very low34.2Very low159 Ų159128.1 Ų128.183%0.83280%0.796SS**  trans-86.2155-159.8-76.6155.3000113.9
542S25.3Very low33.9Very low96 Ų96126.4 Ų126.467%0.67179%0.79SS**  trans75.4108.8130.8-66.20000122.6
543T29.1Very low33.7Very low127 Ų127125.2 Ų125.278%0.77979%0.788SS**  56140112.2-7.60000123.4
544S31.5Very low33.8Very low114 Ų114122.4 Ų122.480%0.79778%0.784SS**  trans109.3143.9150.4-48.10000113.4
545A30.5Very low33.7Very low95 Ų95118.1 Ų118.179%0.78578%0.781SS**  cis-155.717920.100000107.7
546S27.9Very low34Very low116 Ų116122.3 Ų122.381%0.81179%0.786SS**  cis-167.5154.623.2-1690000110.7
547L41.5Very low33.7Very low166 Ų166121.5 Ų121.587%0.86978%0.78SS**  trans-94.6168.2171.3-60.5163.2000111.3
548S32.8Very low33.7Very low121 Ų121123.6 Ų123.685%0.84678%0.781SS**  trans-170.1150145.855.20000110.9
549C31.7Very low34.3Very low115 Ų115123.2 Ų123.278%0.77778%0.776SS**  cis-176.3160.2-19-161.70000106.7
550I36Very low34.5Very low146 Ų146123.5 Ų123.575%0.74977%0.772SS**  149.7155100.3-67.5-168.7000107.7
551P54.3Low34.6Very low105 Ų105126.5 Ų126.568%0.68277%0.769SS**  cis-134.1170.5-28.837.3-19000114.3
552S28.2Very low34.6Very low103 Ų103122.8 Ų122.872%0.7276%0.761SS**  -175.2119.184.4-61.90000110.5
553S33.2Very low34.8Very low108 Ų108124 Ų12476%0.75577%0.77SS**  80.1134.5104.8-610000114.5
554T35.9Very low35Very low132 Ų132121.6 Ų121.681%0.8177%0.77SS**  cis-176.6146.4-4.319.60000105.9
555A31.4Very low34.9Very low98 Ų98121 Ų12181%0.8177%0.766SS**  trans140.6113.4137.500000113.8
556L37.3Very low35Very low160 Ų160123.2 Ų123.284%0.83876%0.764SS**  trans-65.7-166.9171-71.286.3000113
557P47.5Very low35.4Very low102 Ų102124.9 Ų124.966%0.66276%0.763SS**  cis-128.1152.4-29.610.612.5000113.4
558Q33.3Very low35.7Very low179 Ų179121.7 Ų121.784%0.83675%0.752SS**  39.3169.5115.6-93.3-168.1-25.200121.3
559P45.1Very low35.6Very low90 Ų90124.9 Ų124.958%0.58475%0.753SS**  cis-145.8-179.7-22.932.4-9.4000115.7
560L34Very low35.5Very low136 Ų136122.7 Ų122.771%0.71274%0.744SS**  trans98.4117.6144.3-55.3-177.6000121.8
561K31.3Very low35.3Very low188 Ų188123.8 Ų123.882%0.81775%0.75SS**  65.8150.6126.2-73.5178.9174.9174.60118.2
562A27.9Very low34.3Very low82 Ų82127.9 Ų127.968%0.67876%0.757SS**  cis-177.3161.2-12.100000106.3
563S31.3Very low34.4Very low121 Ų121127.6 Ų127.685%0.84676%0.761SS**  trans64.9122.8161.9-72.90000116.8
564G32.6Very low34.1Very low77 Ų77125.9 Ų125.979%0.79476%0.761SS**  82.8132.370.900000107.7
565S28.8Very low34.1Very low100 Ų100127 Ų12770%0.69976%0.76SS**  cis178.2141.222.7-173.60000105.7
566L32.3Very low34.2Very low142 Ų142128.5 Ų128.574%0.74375%0.754SS**  trans56.7109.9145.8-57.7167.9000120.5
567L36.4Very low34.1Very low152 Ų152129.5 Ų129.580%0.79676%0.755SS**  92.3164.9105.4-75.4179.8000114.1
568P48.6Very low33.3Very low98 Ų98130.5 Ų130.564%0.63676%0.764SS**  -132.2-164.9-89.636.6-12.9000112.9
569H31.3Very low33.5Very low188 Ų188126.5 Ų126.587%0.8776%0.762SS**  trans81.6148.8176.2-70.9-33.1000116.7
570A29.6Very low33.1Very low70 Ų70126.7 Ų126.758%0.57977%0.771SS**  cis-176.3159.5-21.500000106.2
571L31.1Very low33.4Very low168 Ų168126.4 Ų126.488%0.8878%0.777SS**  trans74.4146.5162.9-43.5177.6000116.4
572K32.3Very low33.4Very low192 Ų192129.5 Ų129.584%0.83578%0.784SS**  cis-177147.8-16.2175.6160.5-179.1173.40106.5
573A30.4Very low33.5Very low96 Ų96130.6 Ų130.679%0.79379%0.787SS**  trans69115.8165.600000117.1
574G28.7Very low33.5Very low73 Ų73129.2 Ų129.275%0.75378%0.777SS**  97.9132.576.800000107.6
575I34.3Very low34Very low154 Ų154132.6 Ų132.679%0.7978%0.776SS**  cis-163.7154.126.3-49.2175.1000106.3
576N33.8Very low34.6Very low131 Ų131133.8 Ų133.870%0.70178%0.781SS**  trans114105152.4-67.2-39.4000120.6
577Q36.1Very low35.1Very low180 Ų180137.6 Ų137.684%0.84179%0.786SS**  82.1118.2128.7-60.9-165.17200123
578S30.9Very low35.3Very low123 Ų123135.7 Ų135.786%0.8678%0.782SS**  trans87.4140.4138.6-149.60000121.3
579A35.7Very low34.3Very low96 Ų96137.3 Ų137.379%0.79379%0.791SS**  trans89.1115.4172.700000119
580A38Very low34.2Very low94 Ų94133.4 Ų133.478%0.77779%0.785SS**  trans-68.3161.4169.200000111.4
581P39.4Very low34.5Very low130 Ų130137.8 Ų137.884%0.84480%0.797SS**  cis-131.2153.338.132.8-12.2000116.2
582R31.2Very low34.5Very low253 Ų253136 Ų13696%0.95579%0.793SS**  trans-85.9127.2-176.9-63175.286.1164.84.3111.7
583S31.5Very low34.5Very low105 Ų105130 Ų13073%0.73479%0.786SS**  trans-93.8142153.7176.90000110
584S31.6Very low34.6Very low91 Ų91132.4 Ų132.464%0.63679%0.79SS**  trans67.1129.7144.772.20000123.9
585L41.2Very low34.9Very low149 Ų149134.3 Ų134.378%0.7879%0.792SS**  trans80.3147.2134.9-73.7159.1000119.4
586P43.3Very low34.8Very low124 Ų124130.8 Ų130.881%0.80579%0.793SS**  -148.1158.87836.2-14.7000118
587R41.9Very low35Very low223 Ų223132.6 Ų132.684%0.84280%0.802SS**  trans-81168.4156.7-70.5178.8168174.1-3.8109.8
588P40.5Very low35.6Very low111 Ų111129.3 Ų129.372%0.72180%0.797SS**  -151.5137.692.942-23.7000114.1
589T28.6Very low35.8Very low133 Ų133135.2 Ų135.282%0.81680%0.8SS**  83.815698.966.10000117.6
590S28.4Very low35.6Very low106 Ų106134.4 Ų134.474%0.74179%0.794SS**  trans99.4138.4160.6-142.50000115.5
591L35.1Very low35.5Very low161 Ų161135.1 Ų135.184%0.84379%0.793SS**  cis-160.3159.48-159.288.9000108.9
592V32.4Very low35.4Very low131 Ų131139.1 Ų139.179%0.79480%0.797SS**  trans-72.4139.8170.1164.80000112.4
593G31.1Very low35.8Very low66 Ų66134.8 Ų134.868%0.6879%0.791SS**  trans67.6124.8134.900000121
594V34.1Very low36.1Very low146 Ų146138.1 Ų138.189%0.88580%0.797SS**  trans-162.7138.8133.2137.20000110.5
595S33.5Very low36.5Very low114 Ų114142.3 Ų142.380%0.79781%0.807SS**  trans-62.8144.4174.947.50000115.4
596G32.2Very low36.2Very low79 Ų79141.2 Ų141.281%0.81481%0.808SS**  trans-178.792.216200000113.7
597L38.8Very low36.2Very low169 Ų169142.1 Ų142.189%0.88581%0.812SS**  trans-77.8173.3160.4-107.877.3000109.7
598P47.4Very low36.1Very low112 Ų112142.8 Ų142.873%0.72781%0.814SS**  cis-130.3174.1-14.533.7-14.9000112.6
599R35.4Very low36Very low246 Ų246142.7 Ų142.793%0.92882%0.816SS**  trans161.2133.4133.1-173.3167.2-171.3109.2-0.7113.9
600A32.3Very low36.6Very low80 Ų80144.4 Ų144.466%0.66182%0.819SS**  trans77.9104.6149.900000121.9
601S34.9Very low37.3Very low109 Ų109147.2 Ų147.276%0.76283%0.825SS**  82.190120.8-44.90000119.5
602K37.6Very low37.9Very low213 Ų213143.8 Ų143.893%0.92682%0.82SS**  trans-61.8125.2148.4-84174.1171172.30109.7
603I40.2Very low38.5Very low162 Ų162142.9 Ų142.983%0.83182%0.817SS**  trans-125.3127.1153.5-69.8173.8000108
604M37.9Very low39.1Very low175 Ų175145.8 Ų145.886%0.86282%0.824SS**PPolyproline II helixtrans-53.6143178.5-74140.549.400112.9
605Q39.8Very low39.9Very low180 Ų180148.6 Ų148.684%0.84182%0.824SS**PPolyproline II helixtrans-72.9143.4162-65.5-148.2-29.900110.6
606P35.9Very low40.4Very low125 Ų125147.8 Ų147.881%0.81282%0.818SS**PPolyproline II helixtrans-74.4130.3-177.429.5-32.3000111.2R608P606-R608 PolarHBondContact O-N 2.73Å
607T41.9Very low41.2Very low143 Ų143151.1 Ų151.188%0.87782%0.817SS**  trans-58.999.6168.7-47.40000109.9S609T607-S609 PolarHBondContact O-N 2.73Å
608R41.4Very low41.5Very low238 Ų238146.7 Ų146.790%0.89880%0.804SS**  trans-75.1112.1159-101.1-164.5176.1-139.61.7108P606 L610P606-R608 PolarHBondContact O-N 2.73Å; R608-L610 PolarHBondContact O-N 3.48Å; R608-L610 VanDerWaalsContact O-N 3.09Å
609S36.6Very low41.4Very low108 Ų108145.6 Ų145.676%0.75581%0.805SS**  trans-38.9109.3167.5174.60000110.9T607 L611T607-S609 PolarHBondContact O-N 2.73Å; S609-L611 PolarHBondContact O-N 3.47Å
610L41.8Very low41.8Very low169 Ų169139.8 Ų139.889%0.88579%0.792SS**PPolyproline II helixtrans-72117.9165.4-71.2173.8000107.4R608R608-L610 PolarHBondContact O-N 3.48Å; R608-L610 VanDerWaalsContact O-N 3.09Å
611L43.6Very low42.5Very low166 Ų166140.5 Ų140.587%0.86979%0.792SS**PPolyproline II helixtrans-47140.6168.7-77.2138.5000110.9S609S609-L611 PolarHBondContact O-N 3.47Å
612A48.3Very low43Very low88 Ų88139.6 Ų139.673%0.72779%0.791SS**PPolyproline II helixtrans-52.8143.9175.700000111.7
613P43.8Very low43.4Very low113 Ų113137 Ų13773%0.73479%0.786SS**PPolyproline II helixtrans-62.6148177.525.7-32.3000110.8K615P613-K615 PolarHBondContact O-N 3.38Å
614P44.8Very low43.9Very low127 Ų127140.7 Ų140.783%0.82579%0.79SS**PPolyproline II helixtrans-60.3131.4179.224.8-32.2000110.1S616P614-S616 PolarHBondContact O-N 3.33Å
615K50.4Low44.2Very low205 Ų205139.6 Ų139.689%0.89179%0.787SS**PPolyproline II helixtrans-56.3130.8174.7-71168.3178.6156.10108.9P613P613-K615 PolarHBondContact O-N 3.38Å
616S43.6Very low44.8Very low96 Ų96134.6 Ų134.667%0.67178%0.784SS**PPolyproline II helixtrans-55.2151.1-178.760.20000112.3P614 A618P614-S616 PolarHBondContact O-N 3.33Å; S616-A618 PolarHBondContact O-N 3.05Å
617L47.9Very low45.3Very low149 Ų149133.6 Ų133.678%0.7878%0.78SS**G310 helixtrans-5717.4177.4-91166.7000116.1L620L617-L620 HydrophobicContact CD2-CD1 4.25Å
618A45.3Very low45.6Very low76 Ų76138.3 Ų138.363%0.62878%0.782SS**G310 helixtrans-80.8-15.2176.700000113.5S616S616-A618 PolarHBondContact O-N 3.05Å
619A45.2Very low46.2Very low90 Ų90136 Ų13674%0.74478%0.778SS**G310 helixtrans-85.5-3.1-177.900000114.9
620L45.7Very low47Very low124 Ų124139.2 Ų139.265%0.64979%0.787SS**G310 helixtrans-105.20.5177.4-66.6178.8000114L617 A622L617-L620 HydrophobicContact CD2-CD1 4.25Å; L620-A622 PolarHBondContact O-N 2.78Å
621S45.4Very low47.5Very low94 Ų94134.5 Ų134.566%0.65778%0.78SS**THydrogen-bonded Turntrans-78.3-2.1179.7-59.20000114.4
622A46.9Very low47.5Very low91 Ų91132.7 Ų132.775%0.75278%0.78SS**THydrogen-bonded Turntrans-92.67.2178.500000114.3L620L620-A622 PolarHBondContact O-N 2.78Å
623L44.7Very low47.1Very low158 Ų158143.1 Ų143.183%0.82780%0.802SS**SBendtrans-119.911.3177.8-77.2171.2000114.1
624R50.2Low47.3Very low240 Ų240144.7 Ų144.791%0.90681%0.806SS**  trans-102.668164.1-73.3-150.5-147175.27.2109.8
625D44.9Very low47.4Very low151 Ų151145.6 Ų145.681%0.80781%0.805SS**  trans-116.7104.4167.1-139.6-1.9000109.4S627D625-S627 PolarHBondContact O-N 2.99Å
626G52.7Low47.2Very low75 Ų75142.3 Ų142.377%0.77380%0.8SS**  trans66.6-11.1134.800000123.2W628G626-W628 PolarHBondContact O-N 2.85Å
627S46.9Very low47.4Very low104 Ų104145 Ų14573%0.72781%0.808SS**  trans-96.558.2-167.3-170.60000115.7D625D625-S627 PolarHBondContact O-N 2.99Å
628W47.5Very low47.4Very low243 Ų243144.8 Ų144.892%0.9281%0.809SS**  trans-135.155166.5-66.275.2000111.3G626G626-W628 PolarHBondContact O-N 2.85Å
629K53Low47.5Very low188 Ų188149.3 Ų149.382%0.81782%0.822SS**  trans-135.863.6168.9-77.3-78.7160-81.70108.9
630D54.4Low47.7Very low176 Ų176153.6 Ų153.694%0.94183%0.827SS**  trans-174.2109140.3-98.2-19.9000108.1
631G52Low47.9Very low71 Ų71155.8 Ų155.873%0.73284%0.841SS**  trans-160105.5-178.200000107.2
632C44.2Very low48.1Very low128 Ų128161 Ų16187%0.86586%0.856SS**  trans-39.6135.5-173.5-53.50000115.5
633Y39.3Very low48.2Very low307 Ų307167.4 Ų167.4100%1.20487%0.866SS**  trans-127.80141.7-101.5-83.7000108.2

Retrieved 633 of 633 residues in 65.6 ms (Link to these results)